NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
491694 | 2jvr | 15487 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 25 HA PRO 25 10.389 16.556 6.759 2 HB2 PRO 25 2HB PRO 25 9.439 15.333 4.125 3 HB3 PRO 25 3HB PRO 25 10.749 16.544 4.376 4 HG2 PRO 25 2HG PRO 25 11.226 13.831 4.354 5 HG3 PRO 25 3HG PRO 25 12.150 14.947 5.399 6 HD2 PRO 25 2HD PRO 25 10.271 12.887 6.259 7 HD3 PRO 25 3HD PRO 25 11.300 13.955 7.236 8 H ALA 26 H ALA 26 8.423 17.195 4.162 9 HA ALA 26 HA ALA 26 6.664 19.054 5.364 10 HB1 ALA 26 1HB ALA 26 5.520 18.913 3.159 11 HB2 ALA 26 2HB ALA 26 7.285 18.989 2.980 12 HB3 ALA 26 3HB ALA 26 6.439 17.438 2.777 13 H LYS 27 H LYS 27 6.334 15.596 4.879 14 HA LYS 27 HA LYS 27 4.150 15.367 6.880 15 HB2 LYS 27 2HB LYS 27 3.869 14.872 3.971 16 HB3 LYS 27 3HB LYS 27 3.617 13.413 4.868 17 HG2 LYS 27 2HG LYS 27 2.160 16.027 5.445 18 HG3 LYS 27 3HG LYS 27 1.595 14.748 4.382 19 HD2 LYS 27 2HD LYS 27 1.925 13.188 6.489 20 HD3 LYS 27 3HD LYS 27 1.838 14.704 7.393 21 HE2 LYS 27 2HE LYS 27 -0.236 13.552 5.476 22 HE3 LYS 27 3HE LYS 27 -0.336 13.549 7.230 23 HZ1 LYS 27 3HZ LYS 27 -1.647 15.346 6.338 24 HZ2 LYS 27 1HZ LYS 27 -0.395 16.000 7.159 25 HZ3 LYS 27 2HZ LYS 27 -0.387 15.978 5.505 26 H ARG 28 H ARG 28 3.856 13.293 7.533 27 HA ARG 28 HA ARG 28 5.464 11.006 6.773 28 HE ARG 28 HE ARG 28 7.605 9.552 10.933 29 HB2 ARG 28 2HB ARG 28 5.542 12.238 9.585 30 HB3 ARG 28 3HB ARG 28 5.690 10.512 9.308 31 HG2 ARG 28 2HG ARG 28 7.626 11.083 7.674 32 HG3 ARG 28 3HG ARG 28 7.565 12.704 8.382 33 HD2 ARG 28 2HD ARG 28 9.261 11.451 9.533 34 HD3 ARG 28 3HD ARG 28 7.895 11.808 10.601 35 HH11 ARG 28 1HH2 ARG 28 9.420 9.712 7.895 36 HH12 ARG 28 2HH2 ARG 28 9.214 7.972 7.669 37 HH21 ARG 28 1HH1 ARG 28 7.554 7.339 10.503 38 HH22 ARG 28 2HH1 ARG 28 8.300 6.781 9.002 39 H TYR 29 H TYR 29 3.964 9.534 6.470 40 HA TYR 29 HA TYR 29 1.567 9.373 8.246 41 HD1 TYR 29 HD2 TYR 29 0.596 7.059 5.202 42 HD2 TYR 29 HD1 TYR 29 2.350 10.846 4.013 43 HE1 TYR 29 HE2 TYR 29 1.309 6.035 3.081 44 HE2 TYR 29 HE1 TYR 29 2.780 9.891 1.822 45 HH TYR 29 HH TYR 29 2.104 6.393 1.043 46 HB2 TYR 29 2HB TYR 29 0.081 9.197 6.374 47 HB3 TYR 29 3HB TYR 29 1.004 10.647 6.086 48 H ARG 30 H ARG 30 0.429 7.363 8.002 49 HA ARG 30 HA ARG 30 1.929 5.166 6.699 50 HE ARG 30 HE ARG 30 -0.275 2.113 9.758 51 HB2 ARG 30 2HB ARG 30 2.296 5.542 9.283 52 HB3 ARG 30 3HB ARG 30 0.718 4.828 9.444 53 HG2 ARG 30 2HG ARG 30 3.101 3.566 8.000 54 HG3 ARG 30 3HG ARG 30 2.817 3.348 9.709 55 HD2 ARG 30 2HD ARG 30 0.735 2.533 7.654 56 HD3 ARG 30 3HD ARG 30 2.075 1.499 8.093 57 HH11 ARG 30 2HH2 ARG 30 2.971 0.735 9.846 58 HH12 ARG 30 1HH2 ARG 30 2.584 -0.216 11.250 59 HH21 ARG 30 2HH1 ARG 30 -0.682 0.910 11.399 60 HH22 ARG 30 1HH1 ARG 30 0.539 -0.114 12.158 61 H ILE 31 H ILE 31 0.616 3.791 5.571 62 HA ILE 31 HA ILE 31 -2.338 3.927 6.001 63 HB ILE 31 HB ILE 31 -2.785 3.491 3.672 64 HG12 ILE 31 2HG1 ILE 31 0.112 3.987 2.968 65 HG13 ILE 31 3HG1 ILE 31 -0.597 2.367 3.097 66 HG21 ILE 31 1HG2 ILE 31 -1.058 5.969 3.946 67 HG22 ILE 31 2HG2 ILE 31 -2.294 5.673 2.716 68 HG23 ILE 31 3HG2 ILE 31 -2.765 5.804 4.398 69 HD11 ILE 31 3HD1 ILE 31 -1.420 4.473 1.099 70 HD12 ILE 31 1HD1 ILE 31 -0.596 2.936 0.808 71 HD13 ILE 31 2HD1 ILE 31 -2.275 2.933 1.392 72 H THR 32 H THR 32 -3.497 2.134 5.633 73 HA THR 32 HA THR 32 -2.201 -0.592 5.872 74 HB THR 32 HB THR 32 -4.949 0.539 6.335 75 HG1 THR 32 1HG THR 32 -4.443 0.191 8.425 76 HG21 THR 32 1HG2 THR 32 -3.931 -2.353 6.537 77 HG22 THR 32 2HG2 THR 32 -5.464 -1.784 7.237 78 HG23 THR 32 3HG2 THR 32 -5.233 -1.747 5.491 79 H MET 33 H MET 33 -2.411 -2.076 4.399 80 HA MET 33 HA MET 33 -4.261 -1.655 2.222 81 HB2 MET 33 2HB MET 33 -1.357 -2.473 1.656 82 HB3 MET 33 3HB MET 33 -2.691 -2.331 0.497 83 HG2 MET 33 2HG MET 33 -2.839 0.129 1.322 84 HG3 MET 33 3HG MET 33 -1.296 -0.160 2.044 85 HE1 MET 33 3HE MET 33 -1.483 -2.012 -1.321 86 HE2 MET 33 1HE MET 33 -0.042 -1.198 -1.982 87 HE3 MET 33 2HE MET 33 0.020 -1.948 -0.372 88 H LYS 34 H LYS 34 -5.549 -3.220 2.352 89 HA LYS 34 HA LYS 34 -4.817 -5.961 3.342 90 HB2 LYS 34 2HB LYS 34 -4.885 -4.260 5.159 91 HB3 LYS 34 3HB LYS 34 -6.278 -3.507 4.354 92 HG2 LYS 34 2HG LYS 34 -6.822 -6.089 5.526 93 HG3 LYS 34 3HG LYS 34 -6.470 -4.691 6.584 94 HD2 LYS 34 2HD LYS 34 -8.566 -4.540 4.363 95 HD3 LYS 34 3HD LYS 34 -8.964 -5.052 5.944 96 HE2 LYS 34 2HE LYS 34 -9.306 -2.822 6.348 97 HE3 LYS 34 3HE LYS 34 -7.541 -2.692 6.453 98 HZ1 LYS 34 3HZ LYS 34 -7.558 -1.436 4.639 99 HZ2 LYS 34 1HZ LYS 34 -8.334 -2.562 3.726 100 HZ3 LYS 34 2HZ LYS 34 -9.128 -1.400 4.625 101 H ASN 35 H ASN 35 -6.736 -7.397 3.302 102 HA ASN 35 HA ASN 35 -9.190 -6.066 3.155 103 HB2 ASN 35 2HB ASN 35 -9.466 -5.781 1.011 104 HB3 ASN 35 3HB ASN 35 -8.181 -6.816 0.596 105 HD21 ASN 35 1HD2 ASN 35 -8.773 -8.685 -0.566 106 HD22 ASN 35 2HD2 ASN 35 -10.435 -9.244 -0.663 107 H LEU 36 H LEU 36 -8.475 -9.531 2.202 108 HA LEU 36 HA LEU 36 -8.873 -10.454 4.827 109 HG LEU 36 HG LEU 36 -10.973 -12.901 4.446 110 HB2 LEU 36 2HB LEU 36 -11.242 -9.879 4.604 111 HB3 LEU 36 3HB LEU 36 -11.378 -10.815 3.133 112 HD11 LEU 36 1HD1 LEU 36 -9.592 -12.030 6.303 113 HD12 LEU 36 2HD1 LEU 36 -10.945 -11.020 6.854 114 HD13 LEU 36 3HD1 LEU 36 -11.053 -12.793 6.936 115 HD21 LEU 36 3HD2 LEU 36 -13.145 -11.109 5.608 116 HD22 LEU 36 1HD2 LEU 36 -13.262 -12.045 4.099 117 HD23 LEU 36 2HD2 LEU 36 -13.107 -12.887 5.652 118 HA PRO 37 HA PRO 37 -8.702 -14.451 2.359 119 HB2 PRO 37 2HB PRO 37 -8.838 -14.661 -0.350 120 HB3 PRO 37 3HB PRO 37 -10.287 -14.486 0.678 121 HG2 PRO 37 2HG PRO 37 -8.785 -12.311 -0.799 122 HG3 PRO 37 3HG PRO 37 -10.547 -12.638 -0.824 123 HD2 PRO 37 2HD PRO 37 -9.487 -10.764 0.830 124 HD3 PRO 37 3HD PRO 37 -10.838 -11.813 1.352 125 H GLU 38 H GLU 38 -6.718 -11.782 1.491 126 HA GLU 38 HA GLU 38 -4.560 -13.575 0.487 127 HB2 GLU 38 2HB GLU 38 -3.673 -11.740 -0.740 128 HB3 GLU 38 3HB GLU 38 -5.322 -12.130 -1.193 129 HG2 GLU 38 2HG GLU 38 -4.504 -9.715 0.481 130 HG3 GLU 38 3HG GLU 38 -4.801 -9.696 -1.219 131 H GLY 39 H GLY 39 -3.190 -14.126 1.968 132 HA2 GLY 39 2HA GLY 39 -2.196 -12.347 4.061 133 HA3 GLY 39 3HA GLY 39 -1.612 -13.965 3.663 134 H CYS 40 H CYS 40 -1.810 -10.775 2.011 135 HA CYS 40 HA CYS 40 0.328 -11.161 0.226 136 HG CYS 40 HG CYS 40 -1.741 -8.977 2.547 137 HB2 CYS 40 2HB CYS 40 0.349 -8.706 -0.031 138 HB3 CYS 40 3HB CYS 40 -1.255 -9.384 -0.167 139 H SER 41 H SER 41 2.426 -10.252 0.100 140 HA SER 41 HA SER 41 3.890 -9.904 2.686 141 HG SER 41 HG SER 41 3.660 -12.266 0.150 142 HB2 SER 41 2HB SER 41 5.292 -10.815 0.218 143 HB3 SER 41 3HB SER 41 5.624 -11.212 1.908 144 H TRP 42 H TRP 42 6.015 -8.582 2.422 145 HA TRP 42 HA TRP 42 5.278 -6.151 1.182 146 HD1 TRP 42 HD1 TRP 42 9.806 -4.970 1.855 147 HE1 TRP 42 HE1 TRP 42 9.890 -2.686 0.702 148 HE3 TRP 42 HE3 TRP 42 4.771 -4.251 0.964 149 HZ2 TRP 42 HZ2 TRP 42 8.074 -1.005 -0.811 150 HZ3 TRP 42 HZ3 TRP 42 4.030 -2.403 -0.442 151 HH2 TRP 42 HH2 TRP 42 5.638 -0.773 -1.338 152 HB2 TRP 42 2HB TRP 42 6.927 -6.171 2.985 153 HB3 TRP 42 3HB TRP 42 8.105 -6.900 1.920 154 H GLN 43 H GLN 43 7.423 -8.684 -0.115 155 HA GLN 43 HA GLN 43 7.987 -7.266 -2.476 156 HB2 GLN 43 2HB GLN 43 8.457 -9.473 -3.525 157 HB3 GLN 43 3HB GLN 43 9.241 -9.312 -1.964 158 HG2 GLN 43 2HG GLN 43 7.968 -10.967 -0.978 159 HG3 GLN 43 3HG GLN 43 6.528 -10.597 -1.901 160 HE21 GLN 43 2HE2 GLN 43 5.929 -12.084 -3.459 161 HE22 GLN 43 1HE2 GLN 43 7.074 -13.209 -4.190 162 H ASP 44 H ASP 44 5.029 -8.738 -1.619 163 HA ASP 44 HA ASP 44 4.070 -9.080 -4.375 164 HB2 ASP 44 2HB ASP 44 2.699 -9.211 -1.645 165 HB3 ASP 44 3HB ASP 44 2.030 -9.565 -3.192 166 H LEU 45 H LEU 45 3.445 -7.046 -1.517 167 HA LEU 45 HA LEU 45 1.536 -5.366 -2.797 168 HG LEU 45 HG LEU 45 1.160 -6.693 -0.253 169 HB2 LEU 45 2HB LEU 45 3.192 -5.293 -0.276 170 HB3 LEU 45 3HB LEU 45 2.245 -3.901 -0.746 171 HD11 LEU 45 1HD1 LEU 45 1.008 -4.034 1.239 172 HD12 LEU 45 2HD1 LEU 45 0.148 -5.522 1.714 173 HD13 LEU 45 3HD1 LEU 45 1.921 -5.488 1.728 174 HD21 LEU 45 3HD2 LEU 45 -1.094 -5.584 -0.298 175 HD22 LEU 45 1HD2 LEU 45 -0.326 -4.098 -0.896 176 HD23 LEU 45 2HD2 LEU 45 -0.327 -5.557 -1.888 177 H LYS 46 H LYS 46 5.121 -5.028 -2.377 178 HA LYS 46 HA LYS 46 5.092 -2.400 -3.609 179 HB2 LYS 46 2HB LYS 46 7.097 -3.546 -2.290 180 HB3 LYS 46 3HB LYS 46 7.542 -4.102 -3.901 181 HG2 LYS 46 2HG LYS 46 7.160 -1.604 -4.644 182 HG3 LYS 46 3HG LYS 46 7.143 -1.204 -2.973 183 HD2 LYS 46 2HD LYS 46 9.445 -2.113 -2.694 184 HD3 LYS 46 3HD LYS 46 9.445 -2.588 -4.389 185 HE2 LYS 46 2HE LYS 46 10.644 -0.578 -4.373 186 HE3 LYS 46 3HE LYS 46 9.056 -0.138 -5.000 187 HZ1 LYS 46 3HZ LYS 46 9.969 0.292 -2.193 188 HZ2 LYS 46 1HZ LYS 46 9.907 1.434 -3.368 189 HZ3 LYS 46 2HZ LYS 46 8.521 0.801 -2.810 190 H ASP 47 H ASP 47 5.413 -5.744 -4.936 191 HA ASP 47 HA ASP 47 5.779 -4.936 -7.635 192 HB2 ASP 47 2HB ASP 47 5.549 -7.376 -6.506 193 HB3 ASP 47 3HB ASP 47 3.920 -7.240 -7.091 194 H LEU 48 H LEU 48 2.643 -5.561 -6.025 195 HA LEU 48 HA LEU 48 1.233 -4.531 -8.210 196 HG LEU 48 HG LEU 48 -1.181 -3.789 -7.840 197 HB2 LEU 48 2HB LEU 48 0.006 -5.760 -6.687 198 HB3 LEU 48 3HB LEU 48 0.347 -4.671 -5.334 199 HD11 LEU 48 1HD1 LEU 48 -2.319 -4.846 -5.230 200 HD12 LEU 48 2HD1 LEU 48 -3.255 -3.979 -6.447 201 HD13 LEU 48 3HD1 LEU 48 -2.526 -5.511 -6.900 202 HD21 LEU 48 3HD2 LEU 48 -0.672 -1.866 -6.808 203 HD22 LEU 48 1HD2 LEU 48 -2.140 -2.225 -5.939 204 HD23 LEU 48 2HD2 LEU 48 -0.589 -2.593 -5.171 205 H ALA 49 H ALA 49 2.417 -2.748 -5.297 206 HA ALA 49 HA ALA 49 1.198 -0.339 -5.877 207 HB1 ALA 49 1HB ALA 49 2.322 -0.751 -3.810 208 HB2 ALA 49 2HB ALA 49 3.888 -1.001 -4.657 209 HB3 ALA 49 3HB ALA 49 3.168 0.609 -4.584 210 H ARG 50 H ARG 50 4.271 -1.516 -7.196 211 HA ARG 50 HA ARG 50 4.967 0.834 -8.741 212 HE ARG 50 HE ARG 50 7.293 -3.909 -7.763 213 HB2 ARG 50 2HB ARG 50 5.649 -2.110 -8.973 214 HB3 ARG 50 3HB ARG 50 6.481 -0.840 -9.892 215 HG2 ARG 50 2HG ARG 50 7.425 0.140 -7.954 216 HG3 ARG 50 3HG ARG 50 6.353 -0.659 -6.848 217 HD2 ARG 50 2HD ARG 50 8.881 -1.458 -7.795 218 HD3 ARG 50 3HD ARG 50 7.942 -2.060 -6.411 219 HH11 ARG 50 1HH2 ARG 50 9.091 -1.667 -9.765 220 HH12 ARG 50 2HH2 ARG 50 9.177 -2.781 -11.103 221 HH21 ARG 50 1HH1 ARG 50 7.410 -5.302 -9.566 222 HH22 ARG 50 2HH1 ARG 50 8.276 -4.751 -10.972 223 H GLU 51 H GLU 51 3.279 -2.183 -9.466 224 HA GLU 51 HA GLU 51 2.478 -1.757 -12.157 225 HB2 GLU 51 2HB GLU 51 0.501 -2.736 -10.080 226 HB3 GLU 51 3HB GLU 51 0.299 -2.783 -11.721 227 HG2 GLU 51 2HG GLU 51 2.685 -4.083 -10.451 228 HG3 GLU 51 3HG GLU 51 1.183 -4.883 -10.339 229 H ASN 52 H ASN 52 1.159 -0.370 -9.301 230 HA ASN 52 HA ASN 52 -1.065 0.950 -10.671 231 HB2 ASN 52 2HB ASN 52 -0.244 -0.102 -8.015 232 HB3 ASN 52 3HB ASN 52 -1.095 1.326 -7.889 233 HD21 ASN 52 2HD2 ASN 52 -1.211 -1.976 -8.916 234 HD22 ASN 52 1HD2 ASN 52 -2.961 -2.090 -8.964 235 H SER 53 H SER 53 1.921 1.972 -9.291 236 HA SER 53 HA SER 53 3.071 3.764 -10.135 237 HG SER 53 HG SER 53 -0.264 5.032 -9.777 238 HB2 SER 53 2HB SER 53 2.274 5.935 -10.560 239 HB3 SER 53 3HB SER 53 1.257 4.780 -11.416 240 H LEU 54 H LEU 54 1.970 2.857 -7.341 241 HA LEU 54 HA LEU 54 3.022 4.989 -5.576 242 HG LEU 54 HG LEU 54 0.224 3.066 -4.130 243 HB2 LEU 54 2HB LEU 54 1.903 2.220 -5.247 244 HB3 LEU 54 3HB LEU 54 2.991 2.751 -4.021 245 HD11 LEU 54 1HD1 LEU 54 1.606 2.728 -2.085 246 HD12 LEU 54 2HD1 LEU 54 2.297 4.342 -2.314 247 HD13 LEU 54 3HD1 LEU 54 0.609 4.172 -1.887 248 HD21 LEU 54 3HD2 LEU 54 1.498 5.828 -4.221 249 HD22 LEU 54 1HD2 LEU 54 0.417 5.132 -5.457 250 HD23 LEU 54 2HD2 LEU 54 -0.171 5.446 -3.822 251 H GLU 55 H GLU 55 4.713 4.346 -4.136 252 HA GLU 55 HA GLU 55 6.846 2.529 -5.005 253 HB2 GLU 55 2HB GLU 55 7.275 4.504 -6.307 254 HB3 GLU 55 3HB GLU 55 6.947 5.559 -4.952 255 HG2 GLU 55 2HG GLU 55 9.257 5.492 -5.406 256 HG3 GLU 55 3HG GLU 55 8.954 4.906 -3.798 257 H THR 56 H THR 56 6.231 5.183 -3.028 258 HA THR 56 HA THR 56 6.433 5.814 -0.845 259 HB THR 56 HB THR 56 5.578 4.485 0.815 260 HG1 THR 56 1HG THR 56 6.431 2.276 -0.733 261 HG21 THR 56 1HG2 THR 56 4.329 3.239 -1.627 262 HG22 THR 56 2HG2 THR 56 3.657 3.332 0.002 263 HG23 THR 56 3HG2 THR 56 3.914 4.812 -0.881 264 H THR 57 H THR 57 7.555 5.003 1.467 265 HA THR 57 HA THR 57 10.459 4.735 0.960 266 HB THR 57 HB THR 57 8.989 4.578 3.617 267 HG1 THR 57 1HG THR 57 8.945 6.660 3.755 268 HG21 THR 57 1HG2 THR 57 11.052 5.536 4.538 269 HG22 THR 57 2HG2 THR 57 11.355 3.984 3.746 270 HG23 THR 57 3HG2 THR 57 11.802 5.500 2.928 271 H PHE 58 H PHE 58 7.796 2.968 2.543 272 HA PHE 58 HA PHE 58 8.958 0.332 2.323 273 HD1 PHE 58 HD1 PHE 58 8.980 3.463 5.635 274 HD2 PHE 58 HD2 PHE 58 8.581 -0.810 6.067 275 HE1 PHE 58 HE1 PHE 58 8.027 3.765 7.907 276 HE2 PHE 58 HE2 PHE 58 7.565 -0.490 8.303 277 HZ PHE 58 HZ PHE 58 7.287 1.801 9.225 278 HB2 PHE 58 2HB PHE 58 9.951 0.148 4.323 279 HB3 PHE 58 3HB PHE 58 10.224 1.841 4.161 280 H SER 59 H SER 59 7.734 -1.241 3.730 281 HA SER 59 HA SER 59 5.189 -0.229 4.841 282 HG SER 59 HG SER 59 3.157 -2.627 3.200 283 HB2 SER 59 2HB SER 59 4.561 -0.885 2.688 284 HB3 SER 59 3HB SER 59 5.384 -2.425 2.810 285 H SER 60 H SER 60 4.508 -1.284 6.569 286 HA SER 60 HA SER 60 6.028 -3.454 7.881 287 HG SER 60 HG SER 60 5.931 -1.968 9.955 288 HB2 SER 60 2HB SER 60 3.464 -1.949 8.535 289 HB3 SER 60 3HB SER 60 4.133 -3.236 9.560 290 H VAL 61 H VAL 61 5.811 -5.319 6.641 291 HA VAL 61 HA VAL 61 3.087 -6.511 6.402 292 HB VAL 61 HB VAL 61 5.103 -7.195 4.292 293 HG11 VAL 61 1HG1 VAL 61 2.948 -8.403 4.262 294 HG12 VAL 61 2HG1 VAL 61 2.068 -6.871 4.269 295 HG13 VAL 61 3HG1 VAL 61 3.016 -7.338 2.880 296 HG21 VAL 61 3HG2 VAL 61 3.472 -4.666 4.190 297 HG22 VAL 61 1HG2 VAL 61 5.233 -4.815 4.030 298 HG23 VAL 61 2HG2 VAL 61 4.163 -5.441 2.769 299 H ASN 62 H ASN 62 3.269 -8.874 5.898 300 HA ASN 62 HA ASN 62 4.012 -10.984 6.108 301 HB2 ASN 62 2HB ASN 62 6.631 -9.999 7.214 302 HB3 ASN 62 3HB ASN 62 6.331 -11.517 6.381 303 HD21 ASN 62 1HD2 ASN 62 8.060 -8.884 6.027 304 HD22 ASN 62 2HD2 ASN 62 7.940 -8.645 4.290 305 H THR 63 H THR 63 4.395 -8.839 8.847 306 HA THR 63 HA THR 63 4.985 -10.690 10.887 307 HB THR 63 HB THR 63 4.198 -8.850 12.427 308 HG1 THR 63 1HG THR 63 3.722 -6.876 11.401 309 HG21 THR 63 1HG2 THR 63 6.097 -7.995 10.190 310 HG22 THR 63 2HG2 THR 63 6.006 -7.311 11.825 311 HG23 THR 63 3HG2 THR 63 6.540 -8.983 11.599 312 H ARG 64 H ARG 64 1.872 -8.959 11.082 313 HA ARG 64 HA ARG 64 0.209 -11.353 10.971 314 HE ARG 64 HE ARG 64 1.683 -13.234 11.447 315 HB2 ARG 64 2HB ARG 64 0.793 -10.004 13.648 316 HB3 ARG 64 3HB ARG 64 -0.748 -10.773 13.362 317 HG2 ARG 64 2HG ARG 64 1.923 -12.194 13.497 318 HG3 ARG 64 3HG ARG 64 0.621 -12.191 14.663 319 HD2 ARG 64 2HD ARG 64 0.347 -14.245 13.629 320 HD3 ARG 64 3HD ARG 64 -0.871 -13.234 12.833 321 HH11 ARG 64 1HH2 ARG 64 -1.246 -15.217 11.672 322 HH12 ARG 64 2HH2 ARG 64 -1.040 -15.712 9.982 323 HH21 ARG 64 1HH1 ARG 64 1.794 -14.039 9.387 324 HH22 ARG 64 2HH1 ARG 64 0.520 -15.115 8.826 325 H ASP 65 H ASP 65 -1.912 -11.012 11.053 326 HA ASP 65 HA ASP 65 -3.375 -8.704 11.779 327 HB2 ASP 65 2HB ASP 65 -2.407 -8.096 9.380 328 HB3 ASP 65 3HB ASP 65 -3.617 -9.237 8.795 329 H PHE 66 H PHE 66 -5.487 -9.769 9.620 330 HA PHE 66 HA PHE 66 -6.522 -12.130 10.853 331 HD1 PHE 66 HD1 PHE 66 -5.953 -13.081 6.888 332 HD2 PHE 66 HD2 PHE 66 -7.266 -9.062 7.747 333 HE1 PHE 66 HE1 PHE 66 -5.080 -12.324 4.695 334 HE2 PHE 66 HE2 PHE 66 -6.510 -8.349 5.504 335 HZ PHE 66 HZ PHE 66 -5.390 -9.973 3.976 336 HB2 PHE 66 2HB PHE 66 -7.716 -12.459 8.750 337 HB3 PHE 66 3HB PHE 66 -7.763 -10.776 9.267 338 H ASP 67 H ASP 67 -4.010 -11.601 8.495 339 HA ASP 67 HA ASP 67 -2.442 -13.800 9.373 340 HB2 ASP 67 2HB ASP 67 -3.805 -15.124 7.782 341 HB3 ASP 67 3HB ASP 67 -3.418 -13.982 6.490 342 H GLY 68 H GLY 68 -2.901 -11.647 6.491 343 HA2 GLY 68 2HA GLY 68 -0.305 -10.327 7.023 344 HA3 GLY 68 3HA GLY 68 -0.400 -11.320 5.573 345 H THR 69 H THR 69 -1.100 -8.342 7.025 346 HA THR 69 HA THR 69 -2.144 -7.092 4.486 347 HB THR 69 HB THR 69 -2.901 -5.254 5.883 348 HG1 THR 69 1HG THR 69 -3.036 -5.857 8.234 349 HG21 THR 69 1HG2 THR 69 -4.004 -7.929 6.856 350 HG22 THR 69 2HG2 THR 69 -4.798 -6.352 7.006 351 HG23 THR 69 3HG2 THR 69 -4.500 -7.054 5.397 352 H GLY 70 H GLY 70 -1.144 -5.110 3.948 353 HA2 GLY 70 2HA GLY 70 1.585 -4.743 5.120 354 HA3 GLY 70 3HA GLY 70 1.081 -4.139 3.547 355 H ALA 71 H ALA 71 2.238 -2.624 5.652 356 HA ALA 71 HA ALA 71 0.214 -0.552 5.421 357 HB1 ALA 71 1HB ALA 71 0.146 0.076 7.701 358 HB2 ALA 71 2HB ALA 71 -0.059 -1.665 7.693 359 HB3 ALA 71 3HB ALA 71 1.519 -0.983 8.129 360 H LEU 72 H LEU 72 1.128 0.839 4.173 361 HA LEU 72 HA LEU 72 3.978 1.055 3.666 362 HG LEU 72 HG LEU 72 2.049 1.413 0.501 363 HB2 LEU 72 2HB LEU 72 1.574 2.413 2.586 364 HB3 LEU 72 3HB LEU 72 3.153 2.830 2.128 365 HD11 LEU 72 1HD1 LEU 72 4.125 1.076 -0.115 366 HD12 LEU 72 2HD1 LEU 72 4.727 0.979 1.543 367 HD13 LEU 72 3HD1 LEU 72 4.050 -0.440 0.740 368 HD21 LEU 72 3HD2 LEU 72 1.685 -0.924 0.772 369 HD22 LEU 72 1HD2 LEU 72 2.250 -0.873 2.443 370 HD23 LEU 72 2HD2 LEU 72 0.774 -0.029 2.003 371 H GLU 73 H GLU 73 5.100 3.070 3.681 372 HA GLU 73 HA GLU 73 3.942 5.421 5.196 373 HB2 GLU 73 2HB GLU 73 5.360 4.122 6.722 374 HB3 GLU 73 3HB GLU 73 6.687 4.193 5.565 375 HG2 GLU 73 2HG GLU 73 5.735 6.891 6.282 376 HG3 GLU 73 3HG GLU 73 6.168 5.953 7.694 377 H PHE 74 H PHE 74 4.571 7.473 4.439 378 HA PHE 74 HA PHE 74 7.002 7.704 2.871 379 HD1 PHE 74 HD2 PHE 74 7.621 7.066 0.825 380 HD2 PHE 74 HD1 PHE 74 5.498 10.716 0.139 381 HE1 PHE 74 HE2 PHE 74 9.407 7.786 -0.734 382 HE2 PHE 74 HE1 PHE 74 7.318 11.507 -1.336 383 HZ PHE 74 HZ PHE 74 9.269 10.033 -1.801 384 HB2 PHE 74 2HB PHE 74 4.733 7.587 1.270 385 HB3 PHE 74 3HB PHE 74 4.739 9.248 1.733 386 HA PRO 75 HA PRO 75 7.094 11.727 4.893 387 HB2 PRO 75 2HB PRO 75 8.853 12.514 2.575 388 HB3 PRO 75 3HB PRO 75 9.096 12.777 4.326 389 HG2 PRO 75 2HG PRO 75 10.429 10.796 3.069 390 HG3 PRO 75 3HG PRO 75 9.655 10.464 4.663 391 HD2 PRO 75 2HD PRO 75 8.560 9.914 1.891 392 HD3 PRO 75 3HD PRO 75 8.685 8.811 3.293 393 H SER 76 H SER 76 5.437 11.368 1.885 394 HA SER 76 HA SER 76 4.468 14.190 2.075 395 HG SER 76 HG SER 76 6.760 14.563 1.039 396 HB2 SER 76 2HB SER 76 5.070 12.883 -0.536 397 HB3 SER 76 3HB SER 76 4.724 14.587 -0.218 398 H GLU 77 H GLU 77 2.320 14.153 2.258 399 HA GLU 77 HA GLU 77 0.783 11.846 2.023 400 HB2 GLU 77 2HB GLU 77 -1.201 13.281 2.280 401 HB3 GLU 77 3HB GLU 77 0.072 13.597 3.431 402 HG2 GLU 77 2HG GLU 77 0.782 15.540 1.840 403 HG3 GLU 77 3HG GLU 77 -0.774 15.278 1.044 404 H GLU 78 H GLU 78 1.771 13.743 -0.627 405 HA GLU 78 HA GLU 78 -0.235 13.353 -2.587 406 HB2 GLU 78 2HB GLU 78 2.803 13.144 -2.751 407 HB3 GLU 78 3HB GLU 78 1.742 13.203 -4.157 408 HG2 GLU 78 2HG GLU 78 1.044 15.436 -3.700 409 HG3 GLU 78 3HG GLU 78 1.703 15.409 -2.061 410 H ILE 79 H ILE 79 2.261 11.040 -1.465 411 HA ILE 79 HA ILE 79 1.453 8.935 -3.288 412 HB ILE 79 HB ILE 79 3.182 8.780 -0.786 413 HG12 ILE 79 2HG1 ILE 79 3.734 10.009 -3.397 414 HG13 ILE 79 3HG1 ILE 79 4.376 10.352 -1.851 415 HG21 ILE 79 1HG2 ILE 79 2.476 6.565 -1.706 416 HG22 ILE 79 2HG2 ILE 79 3.274 6.984 -3.248 417 HG23 ILE 79 3HG2 ILE 79 4.216 6.820 -1.748 418 HD11 ILE 79 3HD1 ILE 79 5.912 8.316 -2.164 419 HD12 ILE 79 1HD1 ILE 79 5.254 8.170 -3.808 420 HD13 ILE 79 2HD1 ILE 79 6.143 9.623 -3.338 421 H LEU 80 H LEU 80 0.735 9.703 0.070 422 HA LEU 80 HA LEU 80 -0.670 7.399 0.839 423 HG LEU 80 HG LEU 80 -2.858 10.194 1.935 424 HB2 LEU 80 2HB LEU 80 -0.283 8.701 2.617 425 HB3 LEU 80 3HB LEU 80 -0.378 10.183 1.753 426 HD11 LEU 80 1HD1 LEU 80 -4.000 8.786 3.471 427 HD12 LEU 80 2HD1 LEU 80 -3.128 7.701 2.374 428 HD13 LEU 80 3HD1 LEU 80 -2.488 8.030 4.005 429 HD21 LEU 80 3HD2 LEU 80 -1.385 9.945 4.569 430 HD22 LEU 80 1HD2 LEU 80 -1.434 11.398 3.553 431 HD23 LEU 80 2HD2 LEU 80 -2.927 10.779 4.292 432 H VAL 81 H VAL 81 -1.827 10.469 -0.562 433 HA VAL 81 HA VAL 81 -4.639 9.748 -0.626 434 HB VAL 81 HB VAL 81 -3.006 11.979 -1.946 435 HG11 VAL 81 1HG1 VAL 81 -6.047 11.716 -1.827 436 HG12 VAL 81 2HG1 VAL 81 -5.169 13.186 -2.301 437 HG13 VAL 81 3HG1 VAL 81 -5.042 11.734 -3.289 438 HG21 VAL 81 3HG2 VAL 81 -4.005 13.440 -0.250 439 HG22 VAL 81 1HG2 VAL 81 -4.939 12.073 0.405 440 HG23 VAL 81 2HG2 VAL 81 -3.170 12.104 0.529 441 H GLU 82 H GLU 82 -1.990 9.696 -2.976 442 HA GLU 82 HA GLU 82 -3.321 8.902 -5.247 443 HB2 GLU 82 2HB GLU 82 -0.678 8.762 -3.919 444 HB3 GLU 82 3HB GLU 82 -0.972 7.384 -4.812 445 HG2 GLU 82 2HG GLU 82 -1.110 10.249 -5.723 446 HG3 GLU 82 3HG GLU 82 0.205 9.127 -6.098 447 H ALA 83 H ALA 83 -1.794 6.597 -2.881 448 HA ALA 83 HA ALA 83 -3.218 4.342 -3.948 449 HB1 ALA 83 1HB ALA 83 -1.927 4.832 -1.275 450 HB2 ALA 83 2HB ALA 83 -2.737 3.289 -1.688 451 HB3 ALA 83 3HB ALA 83 -1.404 3.858 -2.688 452 H LEU 84 H LEU 84 -4.358 6.554 -1.359 453 HA LEU 84 HA LEU 84 -6.714 5.039 -0.661 454 HG LEU 84 HG LEU 84 -5.021 7.883 1.106 455 HB2 LEU 84 2HB LEU 84 -6.351 8.062 -0.622 456 HB3 LEU 84 3HB LEU 84 -7.652 7.200 0.096 457 HD11 LEU 84 1HD1 LEU 84 -7.163 8.500 2.102 458 HD12 LEU 84 2HD1 LEU 84 -7.501 6.789 2.453 459 HD13 LEU 84 3HD1 LEU 84 -6.129 7.626 3.240 460 HD21 LEU 84 3HD2 LEU 84 -4.358 5.603 0.801 461 HD22 LEU 84 1HD2 LEU 84 -4.755 5.824 2.509 462 HD23 LEU 84 2HD2 LEU 84 -5.917 5.012 1.378 463 H GLU 85 H GLU 85 -5.977 7.049 -3.439 464 HA GLU 85 HA GLU 85 -8.646 6.364 -4.452 465 HB2 GLU 85 2HB GLU 85 -6.845 8.691 -5.194 466 HB3 GLU 85 3HB GLU 85 -8.386 8.338 -5.987 467 HG2 GLU 85 2HG GLU 85 -9.536 8.557 -3.751 468 HG3 GLU 85 3HG GLU 85 -8.012 9.120 -3.061 469 H ARG 86 H ARG 86 -5.685 5.067 -4.819 470 HA ARG 86 HA ARG 86 -6.142 4.368 -7.689 471 HE ARG 86 HE ARG 86 -5.115 6.527 -10.810 472 HB2 ARG 86 2HB ARG 86 -3.915 5.617 -6.473 473 HB3 ARG 86 3HB ARG 86 -3.418 4.004 -6.564 474 HG2 ARG 86 2HG ARG 86 -2.673 5.099 -8.525 475 HG3 ARG 86 3HG ARG 86 -4.114 4.200 -9.093 476 HD2 ARG 86 2HD ARG 86 -5.500 6.295 -8.512 477 HD3 ARG 86 3HD ARG 86 -3.998 7.123 -8.173 478 HH11 ARG 86 2HH1 ARG 86 -2.083 7.216 -9.181 479 HH12 ARG 86 1HH1 ARG 86 -1.178 7.226 -10.668 480 HH21 ARG 86 1HH2 ARG 86 -3.919 6.754 -12.705 481 HH22 ARG 86 2HH2 ARG 86 -2.228 7.157 -12.612 482 H LEU 87 H LEU 87 -5.468 3.056 -4.471 483 HA LEU 87 HA LEU 87 -5.718 0.320 -5.519 484 HG LEU 87 HG LEU 87 -3.360 -0.185 -5.589 485 HB2 LEU 87 2HB LEU 87 -4.048 1.524 -3.275 486 HB3 LEU 87 3HB LEU 87 -4.434 -0.136 -3.366 487 HD11 LEU 87 1HD1 LEU 87 -3.252 1.696 -6.571 488 HD12 LEU 87 2HD1 LEU 87 -2.835 2.613 -5.062 489 HD13 LEU 87 3HD1 LEU 87 -1.600 1.679 -5.895 490 HD21 LEU 87 3HD2 LEU 87 -1.037 -0.176 -4.731 491 HD22 LEU 87 1HD2 LEU 87 -1.566 0.784 -3.325 492 HD23 LEU 87 2HD2 LEU 87 -2.123 -0.892 -3.539 493 H ASN 88 H ASN 88 -7.624 2.574 -3.954 494 HA ASN 88 HA ASN 88 -8.453 0.870 -1.771 495 HB2 ASN 88 2HB ASN 88 -8.574 3.353 -1.637 496 HB3 ASN 88 3HB ASN 88 -9.917 3.312 -2.795 497 HD21 ASN 88 2HD2 ASN 88 -11.387 4.127 -1.203 498 HD22 ASN 88 1HD2 ASN 88 -11.781 3.196 0.231 499 H ASN 89 H ASN 89 -9.212 -1.005 -2.225 500 HA ASN 89 HA ASN 89 -10.565 -2.668 -2.703 501 HB2 ASN 89 2HB ASN 89 -12.259 -1.114 -1.758 502 HB3 ASN 89 3HB ASN 89 -12.796 -0.766 -3.408 503 HD21 ASN 89 1HD2 ASN 89 -12.328 -3.276 -0.908 504 HD22 ASN 89 2HD2 ASN 89 -13.529 -4.384 -1.563 505 H ILE 90 H ILE 90 -8.695 -2.446 -4.276 506 HA ILE 90 HA ILE 90 -9.629 -2.774 -7.105 507 HB ILE 90 HB ILE 90 -7.338 -2.316 -7.855 508 HG12 ILE 90 2HG1 ILE 90 -6.352 -1.706 -5.118 509 HG13 ILE 90 3HG1 ILE 90 -6.238 -3.326 -5.749 510 HG21 ILE 90 1HG2 ILE 90 -8.194 -0.137 -5.944 511 HG22 ILE 90 2HG2 ILE 90 -7.261 0.003 -7.450 512 HG23 ILE 90 3HG2 ILE 90 -8.955 -0.471 -7.506 513 HD11 ILE 90 3HD1 ILE 90 -4.245 -2.069 -6.186 514 HD12 ILE 90 1HD1 ILE 90 -4.995 -2.702 -7.655 515 HD13 ILE 90 2HD1 ILE 90 -5.130 -0.965 -7.258 516 H GLU 91 H GLU 91 -9.100 -4.529 -8.251 517 HA GLU 91 HA GLU 91 -8.446 -6.914 -6.685 518 HB2 GLU 91 2HB GLU 91 -10.254 -6.932 -8.241 519 HB3 GLU 91 3HB GLU 91 -9.162 -6.472 -9.532 520 HG2 GLU 91 2HG GLU 91 -8.371 -8.950 -8.119 521 HG3 GLU 91 3HG GLU 91 -9.945 -9.014 -8.818 522 H PHE 92 H PHE 92 -6.675 -7.651 -6.429 523 HA PHE 92 HA PHE 92 -4.184 -6.676 -7.667 524 HD1 PHE 92 HD1 PHE 92 -1.945 -7.787 -7.022 525 HD2 PHE 92 HD2 PHE 92 -3.550 -7.500 -3.035 526 HE1 PHE 92 HE1 PHE 92 0.321 -8.060 -6.090 527 HE2 PHE 92 HE2 PHE 92 -1.263 -7.721 -2.106 528 HZ PHE 92 HZ PHE 92 0.680 -7.878 -3.676 529 HB2 PHE 92 2HB PHE 92 -4.617 -6.302 -5.342 530 HB3 PHE 92 3HB PHE 92 -5.009 -7.872 -5.001 531 H ARG 93 H ARG 93 -4.078 -8.109 -9.492 532 HA ARG 93 HA ARG 93 -3.779 -10.004 -10.692 533 HE ARG 93 HE ARG 93 0.319 -7.183 -11.153 534 HB2 ARG 93 2HB ARG 93 -1.804 -10.482 -8.417 535 HB3 ARG 93 3HB ARG 93 -1.913 -11.541 -9.810 536 HG2 ARG 93 2HG ARG 93 -0.215 -10.242 -10.444 537 HG3 ARG 93 3HG ARG 93 -1.553 -9.496 -11.308 538 HD2 ARG 93 2HD ARG 93 -1.584 -7.619 -9.787 539 HD3 ARG 93 3HD ARG 93 -0.552 -8.461 -8.624 540 HH11 ARG 93 1HH1 ARG 93 1.393 -9.184 -8.413 541 HH12 ARG 93 2HH1 ARG 93 3.072 -8.878 -8.869 542 HH21 ARG 93 2HH2 ARG 93 2.424 -7.045 -11.602 543 HH22 ARG 93 1HH2 ARG 93 3.620 -7.792 -10.503 544 H GLY 94 H GLY 94 -6.078 -10.210 -8.977 545 HA2 GLY 94 2HA GLY 94 -7.641 -12.030 -8.972 546 HA3 GLY 94 3HA GLY 94 -6.346 -13.183 -8.682 547 H SER 95 H SER 95 -5.797 -10.567 -6.509 548 HA SER 95 HA SER 95 -7.500 -11.714 -4.345 549 HG SER 95 HG SER 95 -4.531 -12.332 -4.803 550 HB2 SER 95 2HB SER 95 -4.878 -10.133 -4.222 551 HB3 SER 95 3HB SER 95 -5.841 -10.704 -2.867 552 H VAL 96 H VAL 96 -7.528 -9.341 -2.833 553 HA VAL 96 HA VAL 96 -7.684 -7.087 -4.701 554 HB VAL 96 HB VAL 96 -9.741 -6.716 -4.990 555 HG11 VAL 96 1HG1 VAL 96 -11.569 -8.155 -4.402 556 HG12 VAL 96 2HG1 VAL 96 -10.192 -8.998 -5.089 557 HG13 VAL 96 3HG1 VAL 96 -10.491 -9.083 -3.321 558 HG21 VAL 96 3HG2 VAL 96 -9.919 -5.260 -3.114 559 HG22 VAL 96 1HG2 VAL 96 -11.415 -6.128 -3.366 560 HG23 VAL 96 2HG2 VAL 96 -10.339 -6.627 -2.047 561 H ILE 97 H ILE 97 -7.572 -4.998 -3.492 562 HA ILE 97 HA ILE 97 -7.086 -5.256 -0.565 563 HB ILE 97 HB ILE 97 -5.342 -3.425 -0.863 564 HG12 ILE 97 2HG1 ILE 97 -5.103 -4.694 -3.612 565 HG13 ILE 97 3HG1 ILE 97 -5.709 -3.062 -3.285 566 HG21 ILE 97 1HG2 ILE 97 -4.620 -6.264 -1.638 567 HG22 ILE 97 2HG2 ILE 97 -3.527 -5.050 -0.898 568 HG23 ILE 97 3HG2 ILE 97 -4.890 -5.681 0.010 569 HD11 ILE 97 3HD1 ILE 97 -3.488 -2.473 -2.294 570 HD12 ILE 97 1HD1 ILE 97 -2.872 -4.057 -2.851 571 HD13 ILE 97 2HD1 ILE 97 -3.448 -2.867 -4.028 572 H THR 98 H THR 98 -7.673 -3.668 0.592 573 HA THR 98 HA THR 98 -9.057 -1.245 -0.470 574 HB THR 98 HB THR 98 -9.506 -2.814 2.062 575 HG1 THR 98 1HG THR 98 -10.370 -3.898 0.296 576 HG21 THR 98 1HG2 THR 98 -11.417 -1.461 2.481 577 HG22 THR 98 2HG2 THR 98 -10.037 -0.367 2.253 578 HG23 THR 98 3HG2 THR 98 -11.226 -0.591 0.947 579 H VAL 99 H VAL 99 -8.264 0.655 0.438 580 HA VAL 99 HA VAL 99 -5.955 0.347 2.280 581 HB VAL 99 HB VAL 99 -4.446 1.560 0.925 582 HG11 VAL 99 1HG1 VAL 99 -4.043 0.022 -0.865 583 HG12 VAL 99 2HG1 VAL 99 -4.762 -0.908 0.446 584 HG13 VAL 99 3HG1 VAL 99 -5.747 -0.472 -0.936 585 HG21 VAL 99 3HG2 VAL 99 -5.059 2.120 -1.429 586 HG22 VAL 99 1HG2 VAL 99 -6.753 1.835 -0.968 587 HG23 VAL 99 2HG2 VAL 99 -5.813 3.130 -0.193 588 H GLU 100 H GLU 100 -5.489 1.968 3.529 589 HA GLU 100 HA GLU 100 -6.843 4.610 3.278 590 HB2 GLU 100 2HB GLU 100 -8.142 4.388 5.343 591 HB3 GLU 100 3HB GLU 100 -8.739 3.321 4.093 592 HG2 GLU 100 2HG GLU 100 -6.907 2.379 6.355 593 HG3 GLU 100 3HG GLU 100 -8.651 2.474 6.512 594 H ARG 101 H ARG 101 -6.374 6.113 4.755 595 HA ARG 101 HA ARG 101 -3.862 6.299 6.060 596 HE ARG 101 HE ARG 101 -6.947 9.836 8.397 597 HB2 ARG 101 2HB ARG 101 -4.789 8.288 7.030 598 HB3 ARG 101 3HB ARG 101 -5.246 8.186 5.345 599 HG2 ARG 101 2HG ARG 101 -7.474 7.163 6.172 600 HG3 ARG 101 3HG ARG 101 -6.981 7.667 7.783 601 HD2 ARG 101 2HD ARG 101 -6.859 9.781 5.646 602 HD3 ARG 101 3HD ARG 101 -8.464 9.141 6.008 603 HH11 ARG 101 1HH1 ARG 101 -9.258 11.106 6.072 604 HH12 ARG 101 2HH1 ARG 101 -9.792 12.356 7.158 605 HH21 ARG 101 2HH2 ARG 101 -7.536 11.513 9.637 606 HH22 ARG 101 1HH2 ARG 101 -8.860 12.566 9.161 607 H ASP 102 H ASP 102 -3.098 5.573 7.828 608 HA ASP 102 HA ASP 102 -4.827 4.168 9.819 609 HB2 ASP 102 2HB ASP 102 -3.647 2.740 8.143 610 HB3 ASP 102 3HB ASP 102 -2.109 3.344 8.749 611 H ASP 103 H ASP 103 -2.342 6.570 9.553 612 HA ASP 103 HA ASP 103 -2.224 6.654 12.543 613 HB2 ASP 103 2HB ASP 103 0.011 7.209 12.575 614 HB3 ASP 103 3HB ASP 103 -0.058 5.912 11.395 615 H ASN 104 H ASN 104 -3.738 8.067 10.173 616 HA ASN 104 HA ASN 104 -3.611 10.867 11.156 617 HB2 ASN 104 2HB ASN 104 -2.032 10.439 9.182 618 HB3 ASN 104 3HB ASN 104 -3.444 10.028 8.218 619 HD21 ASN 104 2HD2 ASN 104 -5.056 12.312 9.480 620 HD22 ASN 104 1HD2 ASN 104 -4.403 13.718 8.632 Start of MODEL 2 1 HA PRO 25 HA PRO 25 9.530 16.570 5.070 2 HB2 PRO 25 2HB PRO 25 7.866 14.365 4.743 3 HB3 PRO 25 3HB PRO 25 9.653 14.338 4.783 4 HG2 PRO 25 2HG PRO 25 7.719 13.911 7.087 5 HG3 PRO 25 3HG PRO 25 9.098 12.855 6.590 6 HD2 PRO 25 2HD PRO 25 9.538 14.582 8.561 7 HD3 PRO 25 3HD PRO 25 10.691 14.542 7.206 8 H ALA 26 H ALA 26 7.431 16.503 3.566 9 HA ALA 26 HA ALA 26 5.614 18.529 4.394 10 HB1 ALA 26 1HB ALA 26 4.431 17.941 2.316 11 HB2 ALA 26 2HB ALA 26 6.186 18.002 2.041 12 HB3 ALA 26 3HB ALA 26 5.354 16.434 2.189 13 H LYS 27 H LYS 27 5.366 15.005 4.575 14 HA LYS 27 HA LYS 27 3.093 15.164 6.499 15 HB2 LYS 27 2HB LYS 27 2.240 14.752 4.074 16 HB3 LYS 27 3HB LYS 27 3.186 13.296 4.061 17 HG2 LYS 27 2HG LYS 27 0.907 12.752 4.436 18 HG3 LYS 27 3HG LYS 27 1.810 12.292 5.823 19 HD2 LYS 27 2HD LYS 27 1.025 14.222 7.090 20 HD3 LYS 27 3HD LYS 27 0.331 14.940 5.620 21 HE2 LYS 27 2HE LYS 27 -1.031 12.641 5.572 22 HE3 LYS 27 3HE LYS 27 -0.656 12.633 7.300 23 HZ1 LYS 27 3HZ LYS 27 -1.678 14.870 7.406 24 HZ2 LYS 27 1HZ LYS 27 -2.033 14.811 5.799 25 HZ3 LYS 27 2HZ LYS 27 -2.738 13.751 6.864 26 H ARG 28 H ARG 28 2.888 13.552 7.855 27 HA ARG 28 HA ARG 28 4.354 11.085 7.262 28 HE ARG 28 HE ARG 28 6.467 11.814 6.912 29 HB2 ARG 28 2HB ARG 28 3.852 12.258 10.066 30 HB3 ARG 28 3HB ARG 28 4.727 10.779 9.726 31 HG2 ARG 28 2HG ARG 28 5.748 13.493 8.781 32 HG3 ARG 28 3HG ARG 28 5.975 12.893 10.400 33 HD2 ARG 28 2HD ARG 28 7.943 12.518 8.917 34 HD3 ARG 28 3HD ARG 28 7.307 11.042 9.676 35 HH11 ARG 28 2HH2 ARG 28 8.254 9.449 8.836 36 HH12 ARG 28 1HH2 ARG 28 8.018 8.207 7.613 37 HH21 ARG 28 2HH1 ARG 28 6.251 10.170 5.467 38 HH22 ARG 28 1HH1 ARG 28 7.185 8.704 5.685 39 H TYR 29 H TYR 29 3.257 9.418 7.223 40 HA TYR 29 HA TYR 29 0.553 9.110 8.318 41 HD1 TYR 29 HD2 TYR 29 0.048 6.776 5.158 42 HD2 TYR 29 HD1 TYR 29 1.787 10.595 4.061 43 HE1 TYR 29 HE2 TYR 29 0.959 5.771 3.102 44 HE2 TYR 29 HE1 TYR 29 2.359 9.681 1.938 45 HH TYR 29 HH TYR 29 2.355 7.739 0.533 46 HB2 TYR 29 2HB TYR 29 -0.603 8.896 6.288 47 HB3 TYR 29 3HB TYR 29 0.269 10.369 6.063 48 H ARG 30 H ARG 30 -0.303 6.935 7.717 49 HA ARG 30 HA ARG 30 1.440 5.005 6.389 50 HE ARG 30 HE ARG 30 -1.248 1.704 9.944 51 HB2 ARG 30 2HB ARG 30 2.306 4.912 8.646 52 HB3 ARG 30 3HB ARG 30 0.704 4.693 9.273 53 HG2 ARG 30 2HG ARG 30 2.004 2.704 7.381 54 HG3 ARG 30 3HG ARG 30 2.347 2.664 9.095 55 HD2 ARG 30 2HD ARG 30 -0.363 2.264 7.789 56 HD3 ARG 30 3HD ARG 30 0.655 1.032 8.455 57 HH11 ARG 30 1HH2 ARG 30 1.870 3.232 10.797 58 HH12 ARG 30 2HH2 ARG 30 1.070 3.879 12.226 59 HH21 ARG 30 1HH1 ARG 30 -1.897 2.398 11.732 60 HH22 ARG 30 2HH1 ARG 30 -0.879 3.470 12.716 61 H ILE 31 H ILE 31 0.204 3.530 5.344 62 HA ILE 31 HA ILE 31 -2.767 3.526 5.805 63 HB ILE 31 HB ILE 31 -3.149 3.128 3.478 64 HG12 ILE 31 2HG1 ILE 31 -0.186 3.501 2.949 65 HG13 ILE 31 3HG1 ILE 31 -1.043 1.948 2.918 66 HG21 ILE 31 1HG2 ILE 31 -2.785 5.557 4.394 67 HG22 ILE 31 2HG2 ILE 31 -1.298 5.539 3.471 68 HG23 ILE 31 3HG2 ILE 31 -2.843 5.311 2.643 69 HD11 ILE 31 3HD1 ILE 31 -2.525 2.789 1.142 70 HD12 ILE 31 1HD1 ILE 31 -1.529 4.272 1.050 71 HD13 ILE 31 2HD1 ILE 31 -0.808 2.698 0.680 72 H THR 32 H THR 32 -3.846 1.697 5.316 73 HA THR 32 HA THR 32 -2.430 -0.978 5.502 74 HB THR 32 HB THR 32 -5.207 -0.009 6.088 75 HG1 THR 32 1HG THR 32 -4.656 -0.368 8.153 76 HG21 THR 32 1HG2 THR 32 -5.604 -2.370 6.930 77 HG22 THR 32 2HG2 THR 32 -5.408 -2.269 5.180 78 HG23 THR 32 3HG2 THR 32 -4.057 -2.844 6.186 79 H MET 33 H MET 33 -2.417 -2.185 3.889 80 HA MET 33 HA MET 33 -4.552 -1.990 1.899 81 HB2 MET 33 2HB MET 33 -1.663 -2.670 1.164 82 HB3 MET 33 3HB MET 33 -3.021 -2.363 0.083 83 HG2 MET 33 2HG MET 33 -3.027 0.014 1.217 84 HG3 MET 33 3HG MET 33 -1.425 -0.436 1.748 85 HE1 MET 33 3HE MET 33 -0.087 -1.838 -0.318 86 HE2 MET 33 1HE MET 33 -1.421 -2.154 -1.452 87 HE3 MET 33 2HE MET 33 -0.017 -1.184 -1.981 88 H LYS 34 H LYS 34 -5.702 -3.696 2.022 89 HA LYS 34 HA LYS 34 -4.632 -6.378 2.845 90 HB2 LYS 34 2HB LYS 34 -4.771 -4.850 4.790 91 HB3 LYS 34 3HB LYS 34 -6.248 -4.158 4.100 92 HG2 LYS 34 2HG LYS 34 -6.543 -6.831 5.109 93 HG3 LYS 34 3HG LYS 34 -6.319 -5.442 6.213 94 HD2 LYS 34 2HD LYS 34 -8.436 -5.411 4.008 95 HD3 LYS 34 3HD LYS 34 -8.789 -5.981 5.555 96 HE2 LYS 34 2HE LYS 34 -9.306 -3.823 6.065 97 HE3 LYS 34 3HE LYS 34 -7.569 -3.464 6.076 98 HZ1 LYS 34 3HZ LYS 34 -7.748 -2.363 4.134 99 HZ2 LYS 34 1HZ LYS 34 -8.799 -3.436 3.442 100 HZ3 LYS 34 2HZ LYS 34 -9.278 -2.224 4.475 101 H ASN 35 H ASN 35 -6.327 -7.934 2.844 102 HA ASN 35 HA ASN 35 -8.947 -7.097 2.876 103 HB2 ASN 35 2HB ASN 35 -9.198 -6.489 0.676 104 HB3 ASN 35 3HB ASN 35 -7.907 -7.489 0.133 105 HD21 ASN 35 1HD2 ASN 35 -8.626 -8.887 -1.386 106 HD22 ASN 35 2HD2 ASN 35 -10.248 -9.590 -1.423 107 H LEU 36 H LEU 36 -10.549 -9.169 2.612 108 HA LEU 36 HA LEU 36 -9.856 -10.780 4.701 109 HG LEU 36 HG LEU 36 -11.595 -13.370 3.917 110 HB2 LEU 36 2HB LEU 36 -12.111 -10.361 3.906 111 HB3 LEU 36 3HB LEU 36 -11.838 -11.347 2.477 112 HD11 LEU 36 1HD1 LEU 36 -10.834 -12.353 6.033 113 HD12 LEU 36 2HD1 LEU 36 -12.369 -11.466 6.184 114 HD13 LEU 36 3HD1 LEU 36 -12.338 -13.240 6.290 115 HD21 LEU 36 3HD2 LEU 36 -13.972 -13.528 4.519 116 HD22 LEU 36 1HD2 LEU 36 -14.139 -11.761 4.387 117 HD23 LEU 36 2HD2 LEU 36 -13.769 -12.737 2.947 118 HA PRO 37 HA PRO 37 -8.041 -14.420 2.350 119 HB2 PRO 37 2HB PRO 37 -7.955 -14.698 -0.297 120 HB3 PRO 37 3HB PRO 37 -9.539 -14.681 0.527 121 HG2 PRO 37 2HG PRO 37 -8.148 -12.366 -0.871 122 HG3 PRO 37 3HG PRO 37 -9.837 -12.930 -1.080 123 HD2 PRO 37 2HD PRO 37 -9.019 -10.909 0.656 124 HD3 PRO 37 3HD PRO 37 -10.517 -11.868 0.857 125 H GLU 38 H GLU 38 -6.776 -11.305 2.009 126 HA GLU 38 HA GLU 38 -4.116 -12.292 1.115 127 HB2 GLU 38 2HB GLU 38 -5.365 -11.585 -0.900 128 HB3 GLU 38 3HB GLU 38 -5.646 -10.005 -0.142 129 HG2 GLU 38 3HG GLU 38 -3.972 -9.840 -1.750 130 HG3 GLU 38 2HG GLU 38 -3.217 -9.534 -0.174 131 H GLY 39 H GLY 39 -2.561 -11.585 2.255 132 HA2 GLY 39 2HA GLY 39 -2.579 -8.835 3.440 133 HA3 GLY 39 3HA GLY 39 -1.929 -10.273 4.233 134 H CYS 40 H CYS 40 -1.157 -10.706 1.042 135 HA CYS 40 HA CYS 40 0.599 -10.437 -0.303 136 HG CYS 40 HG CYS 40 -1.738 -8.178 0.700 137 HB2 CYS 40 2HB CYS 40 0.902 -7.664 0.857 138 HB3 CYS 40 3HB CYS 40 1.213 -8.242 -0.781 139 H SER 41 H SER 41 2.894 -9.136 -0.379 140 HA SER 41 HA SER 41 4.597 -9.618 1.984 141 HG SER 41 HG SER 41 4.423 -11.987 -0.699 142 HB2 SER 41 2HB SER 41 5.572 -10.265 -0.788 143 HB3 SER 41 3HB SER 41 6.329 -10.659 0.754 144 H TRP 42 H TRP 42 6.617 -8.102 1.817 145 HA TRP 42 HA TRP 42 5.691 -5.618 0.751 146 HD1 TRP 42 HD1 TRP 42 10.147 -4.278 1.814 147 HE1 TRP 42 HE1 TRP 42 10.280 -1.978 0.691 148 HE3 TRP 42 HE3 TRP 42 5.249 -3.782 0.258 149 HZ2 TRP 42 HZ2 TRP 42 8.554 -0.274 -0.906 150 HZ3 TRP 42 HZ3 TRP 42 4.603 -1.938 -1.184 151 HH2 TRP 42 HH2 TRP 42 6.174 -0.183 -1.745 152 HB2 TRP 42 2HB TRP 42 7.258 -5.592 2.611 153 HB3 TRP 42 3HB TRP 42 8.509 -6.296 1.605 154 H GLN 43 H GLN 43 8.155 -7.875 -0.402 155 HA GLN 43 HA GLN 43 8.828 -6.528 -2.740 156 HB2 GLN 43 2HB GLN 43 9.362 -8.893 -3.626 157 HB3 GLN 43 3HB GLN 43 10.187 -8.392 -2.162 158 HG2 GLN 43 2HG GLN 43 7.624 -9.992 -1.867 159 HG3 GLN 43 3HG GLN 43 9.084 -10.808 -2.391 160 HE21 GLN 43 2HE2 GLN 43 10.602 -11.424 -0.811 161 HE22 GLN 43 1HE2 GLN 43 10.418 -10.960 0.871 162 H ASP 44 H ASP 44 5.939 -8.210 -2.164 163 HA ASP 44 HA ASP 44 5.159 -8.495 -4.988 164 HB2 ASP 44 2HB ASP 44 3.903 -9.073 -2.269 165 HB3 ASP 44 3HB ASP 44 3.069 -9.198 -3.775 166 H LEU 45 H LEU 45 4.268 -6.545 -2.124 167 HA LEU 45 HA LEU 45 2.340 -4.953 -3.564 168 HG LEU 45 HG LEU 45 1.622 -6.240 -1.233 169 HB2 LEU 45 2HB LEU 45 3.685 -4.965 -0.863 170 HB3 LEU 45 3HB LEU 45 2.886 -3.498 -1.379 171 HD11 LEU 45 1HD1 LEU 45 2.178 -5.153 0.914 172 HD12 LEU 45 2HD1 LEU 45 1.382 -3.662 0.384 173 HD13 LEU 45 3HD1 LEU 45 0.415 -5.151 0.669 174 HD21 LEU 45 3HD2 LEU 45 -0.561 -4.833 -1.427 175 HD22 LEU 45 1HD2 LEU 45 0.490 -3.556 -2.095 176 HD23 LEU 45 2HD2 LEU 45 0.335 -5.105 -2.913 177 H LYS 46 H LYS 46 5.769 -4.536 -2.941 178 HA LYS 46 HA LYS 46 6.131 -1.823 -4.085 179 HB2 LYS 46 2HB LYS 46 7.904 -3.036 -2.850 180 HB3 LYS 46 3HB LYS 46 7.807 -4.344 -4.020 181 HG2 LYS 46 2HG LYS 46 8.409 -2.421 -5.801 182 HG3 LYS 46 3HG LYS 46 8.926 -1.553 -4.351 183 HD2 LYS 46 2HD LYS 46 10.883 -2.669 -4.721 184 HD3 LYS 46 3HD LYS 46 10.026 -3.922 -3.835 185 HE2 LYS 46 2HE LYS 46 10.431 -3.678 -6.855 186 HE3 LYS 46 3HE LYS 46 11.150 -4.887 -5.793 187 HZ1 LYS 46 3HZ LYS 46 9.247 -5.758 -7.095 188 HZ2 LYS 46 1HZ LYS 46 8.922 -5.862 -5.489 189 HZ3 LYS 46 2HZ LYS 46 8.258 -4.694 -6.427 190 H ASP 47 H ASP 47 6.196 -5.140 -5.464 191 HA ASP 47 HA ASP 47 6.396 -4.175 -8.114 192 HB2 ASP 47 2HB ASP 47 5.968 -6.738 -6.822 193 HB3 ASP 47 3HB ASP 47 4.755 -6.579 -8.048 194 H LEU 48 H LEU 48 3.336 -4.995 -6.418 195 HA LEU 48 HA LEU 48 1.752 -3.968 -8.516 196 HG LEU 48 HG LEU 48 -0.550 -3.413 -8.146 197 HB2 LEU 48 2HB LEU 48 0.754 -5.281 -6.788 198 HB3 LEU 48 3HB LEU 48 1.011 -4.013 -5.582 199 HD11 LEU 48 1HD1 LEU 48 -2.651 -3.887 -6.861 200 HD12 LEU 48 2HD1 LEU 48 -1.689 -5.305 -7.242 201 HD13 LEU 48 3HD1 LEU 48 -1.674 -4.606 -5.583 202 HD21 LEU 48 3HD2 LEU 48 -0.169 -1.472 -6.962 203 HD22 LEU 48 1HD2 LEU 48 -1.792 -1.942 -6.546 204 HD23 LEU 48 2HD2 LEU 48 -0.496 -2.272 -5.373 205 H ALA 49 H ALA 49 3.053 -2.123 -5.711 206 HA ALA 49 HA ALA 49 1.853 0.317 -6.357 207 HB1 ALA 49 1HB ALA 49 2.922 0.381 -4.376 208 HB2 ALA 49 2HB ALA 49 4.304 -0.615 -4.900 209 HB3 ALA 49 3HB ALA 49 4.261 1.073 -5.348 210 H ARG 50 H ARG 50 4.792 -1.123 -7.766 211 HA ARG 50 HA ARG 50 5.351 1.148 -9.471 212 HE ARG 50 HE ARG 50 9.520 0.455 -7.251 213 HB2 ARG 50 2HB ARG 50 6.408 -1.527 -10.228 214 HB3 ARG 50 3HB ARG 50 7.146 0.064 -10.322 215 HG2 ARG 50 2HG ARG 50 6.929 -1.820 -8.034 216 HG3 ARG 50 3HG ARG 50 8.325 -1.164 -8.645 217 HD2 ARG 50 2HD ARG 50 6.528 0.775 -7.293 218 HD3 ARG 50 3HD ARG 50 7.437 -0.361 -6.335 219 HH11 ARG 50 2HH1 ARG 50 6.890 2.825 -7.729 220 HH12 ARG 50 1HH1 ARG 50 8.096 4.008 -8.223 221 HH21 ARG 50 1HH2 ARG 50 10.832 2.169 -7.805 222 HH22 ARG 50 2HH2 ARG 50 10.068 3.716 -8.167 223 H GLU 51 H GLU 51 3.368 -1.755 -9.806 224 HA GLU 51 HA GLU 51 2.640 -1.619 -12.578 225 HB2 GLU 51 2HB GLU 51 0.783 -2.406 -10.316 226 HB3 GLU 51 3HB GLU 51 0.468 -2.598 -11.943 227 HG2 GLU 51 2HG GLU 51 2.942 -3.788 -10.691 228 HG3 GLU 51 3HG GLU 51 1.478 -4.595 -10.440 229 H ASN 52 H ASN 52 1.563 0.047 -9.779 230 HA ASN 52 HA ASN 52 -0.776 1.198 -11.092 231 HB2 ASN 52 2HB ASN 52 0.199 0.339 -8.429 232 HB3 ASN 52 3HB ASN 52 -0.635 1.757 -8.290 233 HD21 ASN 52 2HD2 ASN 52 -0.759 -1.558 -9.119 234 HD22 ASN 52 1HD2 ASN 52 -2.508 -1.703 -9.150 235 H SER 53 H SER 53 1.611 2.725 -8.901 236 HA SER 53 HA SER 53 2.144 5.080 -10.367 237 HG SER 53 HG SER 53 -0.942 6.150 -7.987 238 HB2 SER 53 2HB SER 53 0.644 6.717 -9.274 239 HB3 SER 53 3HB SER 53 -0.298 5.595 -10.244 240 H LEU 54 H LEU 54 2.509 3.220 -7.637 241 HA LEU 54 HA LEU 54 3.008 5.456 -5.732 242 HG LEU 54 HG LEU 54 0.608 2.953 -5.287 243 HB2 LEU 54 2HB LEU 54 2.800 2.511 -5.428 244 HB3 LEU 54 3HB LEU 54 3.303 3.479 -4.104 245 HD11 LEU 54 1HD1 LEU 54 1.485 3.425 -2.381 246 HD12 LEU 54 2HD1 LEU 54 0.001 2.640 -2.959 247 HD13 LEU 54 3HD1 LEU 54 1.557 1.856 -3.183 248 HD21 LEU 54 3HD2 LEU 54 -0.467 4.857 -4.337 249 HD22 LEU 54 1HD2 LEU 54 1.053 5.481 -3.666 250 HD23 LEU 54 2HD2 LEU 54 0.765 5.448 -5.426 251 H GLU 55 H GLU 55 4.790 5.563 -4.649 252 HA GLU 55 HA GLU 55 7.270 4.147 -5.261 253 HB2 GLU 55 2HB GLU 55 7.044 5.780 -7.108 254 HB3 GLU 55 3HB GLU 55 6.986 7.115 -5.951 255 HG2 GLU 55 2HG GLU 55 9.201 6.870 -5.327 256 HG3 GLU 55 3HG GLU 55 9.259 5.153 -5.692 257 H THR 56 H THR 56 6.109 3.877 -3.079 258 HA THR 56 HA THR 56 6.111 5.982 -1.178 259 HB THR 56 HB THR 56 5.311 4.382 0.361 260 HG1 THR 56 1HG THR 56 5.626 2.172 0.064 261 HG21 THR 56 1HG2 THR 56 4.343 3.016 -2.113 262 HG22 THR 56 2HG2 THR 56 3.464 3.479 -0.638 263 HG23 THR 56 3HG2 THR 56 3.907 4.707 -1.815 264 H THR 57 H THR 57 7.233 5.543 1.141 265 HA THR 57 HA THR 57 10.145 5.422 0.876 266 HB THR 57 HB THR 57 8.512 4.964 3.408 267 HG1 THR 57 1HG THR 57 8.301 7.018 3.686 268 HG21 THR 57 1HG2 THR 57 10.411 6.011 4.552 269 HG22 THR 57 2HG2 THR 57 10.906 4.554 3.684 270 HG23 THR 57 3HG2 THR 57 11.280 6.157 3.002 271 H PHE 58 H PHE 58 7.553 3.374 2.195 272 HA PHE 58 HA PHE 58 8.920 0.850 1.846 273 HD1 PHE 58 HD2 PHE 58 8.472 3.763 5.263 274 HD2 PHE 58 HD1 PHE 58 8.653 -0.531 5.596 275 HE1 PHE 58 HE2 PHE 58 7.425 3.879 7.510 276 HE2 PHE 58 HE1 PHE 58 7.577 -0.407 7.824 277 HZ PHE 58 HZ PHE 58 6.950 1.803 8.784 278 HB2 PHE 58 2HB PHE 58 9.807 0.585 3.866 279 HB3 PHE 58 3HB PHE 58 10.015 2.295 3.824 280 H SER 59 H SER 59 7.861 -0.886 3.133 281 HA SER 59 HA SER 59 5.268 -0.194 4.320 282 HG SER 59 HG SER 59 3.437 -1.527 3.977 283 HB2 SER 59 2HB SER 59 4.657 -0.868 2.110 284 HB3 SER 59 3HB SER 59 5.539 -2.376 2.281 285 H SER 60 H SER 60 4.743 -1.487 6.020 286 HA SER 60 HA SER 60 6.580 -3.661 6.929 287 HG SER 60 HG SER 60 5.440 -3.290 10.111 288 HB2 SER 60 2HB SER 60 5.598 -1.792 8.437 289 HB3 SER 60 3HB SER 60 4.056 -2.666 8.261 290 H VAL 61 H VAL 61 6.062 -5.714 6.179 291 HA VAL 61 HA VAL 61 3.209 -6.505 5.844 292 HB VAL 61 HB VAL 61 5.116 -7.131 3.586 293 HG11 VAL 61 1HG1 VAL 61 2.097 -6.709 3.660 294 HG12 VAL 61 2HG1 VAL 61 3.030 -7.188 2.241 295 HG13 VAL 61 3HG1 VAL 61 2.899 -8.282 3.611 296 HG21 VAL 61 3HG2 VAL 61 3.507 -4.607 3.760 297 HG22 VAL 61 1HG2 VAL 61 5.265 -4.728 3.555 298 HG23 VAL 61 2HG2 VAL 61 4.187 -5.246 2.249 299 H ASN 62 H ASN 62 2.761 -8.508 5.971 300 HA ASN 62 HA ASN 62 2.802 -10.704 5.820 301 HB2 ASN 62 2HB ASN 62 3.825 -11.358 4.107 302 HB3 ASN 62 3HB ASN 62 4.594 -9.850 4.009 303 HD21 ASN 62 1HD2 ASN 62 6.811 -9.648 4.261 304 HD22 ASN 62 2HD2 ASN 62 7.781 -11.096 4.053 305 H THR 63 H THR 63 2.808 -12.387 6.948 306 HA THR 63 HA THR 63 2.585 -13.479 8.816 307 HB THR 63 HB THR 63 4.636 -14.444 7.911 308 HG1 THR 63 1HG THR 63 4.220 -14.548 10.700 309 HG21 THR 63 1HG2 THR 63 6.721 -14.264 9.310 310 HG22 THR 63 2HG2 THR 63 6.385 -12.885 8.268 311 HG23 THR 63 3HG2 THR 63 6.055 -12.769 10.011 312 H ARG 64 H ARG 64 3.724 -10.377 9.306 313 HA ARG 64 HA ARG 64 3.461 -10.396 12.243 314 HE ARG 64 HE ARG 64 3.730 -5.003 8.768 315 HB2 ARG 64 2HB ARG 64 4.294 -8.151 12.111 316 HB3 ARG 64 3HB ARG 64 5.271 -9.172 11.079 317 HG2 ARG 64 2HG ARG 64 4.874 -7.862 9.281 318 HG3 ARG 64 3HG ARG 64 3.137 -8.105 9.437 319 HD2 ARG 64 2HD ARG 64 3.325 -6.284 11.364 320 HD3 ARG 64 3HD ARG 64 4.864 -5.908 10.594 321 HH11 ARG 64 2HH2 ARG 64 1.383 -6.570 10.849 322 HH12 ARG 64 1HH2 ARG 64 0.025 -5.969 9.931 323 HH21 ARG 64 1HH1 ARG 64 1.935 -4.524 7.497 324 HH22 ARG 64 2HH1 ARG 64 0.354 -4.865 8.092 325 H ASP 65 H ASP 65 1.059 -11.042 10.720 326 HA ASP 65 HA ASP 65 -0.880 -9.264 11.958 327 HB2 ASP 65 2HB ASP 65 -0.004 -8.377 9.507 328 HB3 ASP 65 3HB ASP 65 -1.305 -9.435 8.999 329 H PHE 66 H PHE 66 -3.160 -9.958 10.618 330 HA PHE 66 HA PHE 66 -3.906 -12.598 11.204 331 HD1 PHE 66 HD2 PHE 66 -3.924 -9.356 8.403 332 HD2 PHE 66 HD1 PHE 66 -6.598 -12.723 8.077 333 HE1 PHE 66 HE2 PHE 66 -4.049 -9.034 5.924 334 HE2 PHE 66 HE1 PHE 66 -6.767 -12.347 5.635 335 HZ PHE 66 HZ PHE 66 -5.498 -10.514 4.561 336 HB2 PHE 66 2HB PHE 66 -5.886 -12.030 10.201 337 HB3 PHE 66 3HB PHE 66 -5.230 -10.422 10.449 338 H ASP 67 H ASP 67 -2.295 -11.376 8.397 339 HA ASP 67 HA ASP 67 -1.319 -13.963 7.490 340 HB2 ASP 67 2HB ASP 67 -3.500 -13.836 6.282 341 HB3 ASP 67 3HB ASP 67 -3.047 -12.256 5.643 342 H GLY 68 H GLY 68 -1.655 -10.415 6.842 343 HA2 GLY 68 2HA GLY 68 1.150 -10.065 7.220 344 HA3 GLY 68 3HA GLY 68 0.787 -10.094 5.478 345 H THR 69 H THR 69 -1.476 -8.603 5.363 346 HA THR 69 HA THR 69 -1.906 -6.633 4.511 347 HB THR 69 HB THR 69 -2.608 -4.904 5.826 348 HG1 THR 69 1HG THR 69 -1.717 -5.754 8.270 349 HG21 THR 69 1HG2 THR 69 -2.993 -7.417 7.453 350 HG22 THR 69 2HG2 THR 69 -3.928 -5.915 7.608 351 HG23 THR 69 3HG2 THR 69 -3.988 -6.833 6.093 352 H GLY 70 H GLY 70 -1.173 -5.134 3.257 353 HA2 GLY 70 2HA GLY 70 1.566 -4.210 3.182 354 HA3 GLY 70 3HA GLY 70 0.181 -3.653 2.233 355 H ALA 71 H ALA 71 1.888 -3.111 5.335 356 HA ALA 71 HA ALA 71 0.259 -0.661 5.600 357 HB1 ALA 71 1HB ALA 71 1.769 -0.492 7.765 358 HB2 ALA 71 2HB ALA 71 0.356 -1.579 7.693 359 HB3 ALA 71 3HB ALA 71 2.011 -2.205 7.478 360 H LEU 72 H LEU 72 0.891 0.631 3.967 361 HA LEU 72 HA LEU 72 3.731 1.044 3.208 362 HG LEU 72 HG LEU 72 1.828 1.116 0.040 363 HB2 LEU 72 2HB LEU 72 1.098 1.895 2.161 364 HB3 LEU 72 3HB LEU 72 2.487 2.724 1.679 365 HD11 LEU 72 1HD1 LEU 72 4.517 1.129 1.191 366 HD12 LEU 72 2HD1 LEU 72 4.121 -0.291 0.223 367 HD13 LEU 72 3HD1 LEU 72 3.942 1.276 -0.482 368 HD21 LEU 72 3HD2 LEU 72 0.760 -0.553 1.366 369 HD22 LEU 72 1HD2 LEU 72 2.010 -1.284 0.335 370 HD23 LEU 72 2HD2 LEU 72 2.290 -1.041 2.064 371 H GLU 73 H GLU 73 4.657 3.081 3.134 372 HA GLU 73 HA GLU 73 3.392 5.436 4.598 373 HB2 GLU 73 2HB GLU 73 4.788 4.006 6.102 374 HB3 GLU 73 3HB GLU 73 6.179 4.338 5.069 375 HG2 GLU 73 2HG GLU 73 4.853 6.823 5.851 376 HG3 GLU 73 3HG GLU 73 5.185 5.829 7.271 377 H PHE 74 H PHE 74 4.098 7.557 3.861 378 HA PHE 74 HA PHE 74 6.546 7.755 2.273 379 HD1 PHE 74 HD1 PHE 74 7.219 7.426 -0.023 380 HD2 PHE 74 HD2 PHE 74 4.718 10.883 -0.143 381 HE1 PHE 74 HE1 PHE 74 8.803 8.492 -1.595 382 HE2 PHE 74 HE2 PHE 74 6.330 12.015 -1.638 383 HZ PHE 74 HZ PHE 74 8.377 10.812 -2.390 384 HB2 PHE 74 2HB PHE 74 4.346 7.581 0.696 385 HB3 PHE 74 3HB PHE 74 4.151 9.187 1.239 386 HA PRO 75 HA PRO 75 6.818 11.831 4.303 387 HB2 PRO 75 2HB PRO 75 8.390 13.201 2.419 388 HB3 PRO 75 3HB PRO 75 8.960 12.135 3.734 389 HG2 PRO 75 2HG PRO 75 8.426 11.408 0.852 390 HG3 PRO 75 3HG PRO 75 9.869 11.025 1.852 391 HD2 PRO 75 2HD PRO 75 8.029 9.160 1.600 392 HD3 PRO 75 3HD PRO 75 8.615 9.526 3.223 393 H SER 76 H SER 76 4.824 11.450 1.553 394 HA SER 76 HA SER 76 3.661 14.155 2.058 395 HG SER 76 HG SER 76 5.202 15.076 -0.921 396 HB2 SER 76 2HB SER 76 4.085 12.928 -0.637 397 HB3 SER 76 3HB SER 76 3.236 14.424 -0.337 398 H GLU 77 H GLU 77 1.488 14.068 2.274 399 HA GLU 77 HA GLU 77 -0.018 11.702 2.104 400 HB2 GLU 77 2HB GLU 77 -2.023 13.123 2.273 401 HB3 GLU 77 3HB GLU 77 -0.779 13.470 3.466 402 HG2 GLU 77 2HG GLU 77 -0.046 15.436 2.141 403 HG3 GLU 77 3HG GLU 77 -1.331 15.101 0.975 404 H GLU 78 H GLU 78 0.945 13.749 -0.473 405 HA GLU 78 HA GLU 78 -0.826 13.298 -2.567 406 HB2 GLU 78 2HB GLU 78 2.223 13.019 -2.567 407 HB3 GLU 78 3HB GLU 78 1.228 13.242 -4.007 408 HG2 GLU 78 2HG GLU 78 0.566 15.478 -3.255 409 HG3 GLU 78 3HG GLU 78 1.421 15.262 -1.726 410 H ILE 79 H ILE 79 1.710 10.996 -1.467 411 HA ILE 79 HA ILE 79 1.003 8.960 -3.413 412 HB ILE 79 HB ILE 79 2.820 8.864 -0.978 413 HG12 ILE 79 2HG1 ILE 79 3.046 10.055 -3.621 414 HG13 ILE 79 3HG1 ILE 79 3.868 10.451 -2.208 415 HG21 ILE 79 1HG2 ILE 79 2.245 6.566 -1.732 416 HG22 ILE 79 2HG2 ILE 79 2.815 6.977 -3.367 417 HG23 ILE 79 3HG2 ILE 79 3.941 6.953 -1.989 418 HD11 ILE 79 3HD1 ILE 79 5.467 8.504 -2.723 419 HD12 ILE 79 1HD1 ILE 79 4.596 8.318 -4.264 420 HD13 ILE 79 2HD1 ILE 79 5.451 9.827 -3.897 421 H LEU 80 H LEU 80 0.234 9.560 -0.067 422 HA LEU 80 HA LEU 80 -1.016 7.109 0.594 423 HG LEU 80 HG LEU 80 -3.221 9.879 1.751 424 HB2 LEU 80 2HB LEU 80 -0.689 8.307 2.448 425 HB3 LEU 80 3HB LEU 80 -0.746 9.827 1.660 426 HD11 LEU 80 1HD1 LEU 80 -3.038 7.645 3.755 427 HD12 LEU 80 2HD1 LEU 80 -4.481 8.435 3.086 428 HD13 LEU 80 3HD1 LEU 80 -3.527 7.348 2.067 429 HD21 LEU 80 3HD2 LEU 80 -1.884 9.468 4.426 430 HD22 LEU 80 1HD2 LEU 80 -1.871 10.981 3.490 431 HD23 LEU 80 2HD2 LEU 80 -3.402 10.333 4.123 432 H VAL 81 H VAL 81 -2.338 10.190 -0.691 433 HA VAL 81 HA VAL 81 -5.104 9.276 -0.824 434 HB VAL 81 HB VAL 81 -3.641 11.668 -2.069 435 HG11 VAL 81 1HG1 VAL 81 -5.682 11.313 -3.380 436 HG12 VAL 81 2HG1 VAL 81 -6.649 11.177 -1.889 437 HG13 VAL 81 3HG1 VAL 81 -5.894 12.722 -2.348 438 HG21 VAL 81 3HG2 VAL 81 -4.674 13.020 -0.340 439 HG22 VAL 81 1HG2 VAL 81 -5.531 11.595 0.309 440 HG23 VAL 81 2HG2 VAL 81 -3.767 11.717 0.414 441 H GLU 82 H GLU 82 -2.437 9.499 -3.110 442 HA GLU 82 HA GLU 82 -3.656 8.697 -5.466 443 HB2 GLU 82 2HB GLU 82 -1.060 8.653 -4.034 444 HB3 GLU 82 3HB GLU 82 -1.221 7.342 -5.044 445 HG2 GLU 82 2HG GLU 82 -1.502 10.268 -5.766 446 HG3 GLU 82 3HG GLU 82 -0.050 9.301 -6.043 447 H ALA 83 H ALA 83 -1.997 6.473 -3.129 448 HA ALA 83 HA ALA 83 -3.089 4.061 -4.101 449 HB1 ALA 83 1HB ALA 83 -1.264 4.402 -2.357 450 HB2 ALA 83 2HB ALA 83 -2.546 4.610 -1.167 451 HB3 ALA 83 3HB ALA 83 -2.403 3.073 -2.059 452 H LEU 84 H LEU 84 -4.622 6.198 -1.729 453 HA LEU 84 HA LEU 84 -6.848 4.423 -1.046 454 HG LEU 84 HG LEU 84 -5.379 7.341 0.714 455 HB2 LEU 84 2HB LEU 84 -6.819 7.475 -0.970 456 HB3 LEU 84 3HB LEU 84 -8.003 6.464 -0.270 457 HD11 LEU 84 1HD1 LEU 84 -6.563 7.293 2.821 458 HD12 LEU 84 2HD1 LEU 84 -7.531 8.093 1.584 459 HD13 LEU 84 3HD1 LEU 84 -7.926 6.427 2.076 460 HD21 LEU 84 3HD2 LEU 84 -5.215 5.390 2.279 461 HD22 LEU 84 1HD2 LEU 84 -6.376 4.533 1.174 462 HD23 LEU 84 2HD2 LEU 84 -4.782 5.034 0.596 463 H GLU 85 H GLU 85 -6.310 6.699 -3.673 464 HA GLU 85 HA GLU 85 -8.992 6.028 -4.653 465 HB2 GLU 85 2HB GLU 85 -6.982 8.157 -5.500 466 HB3 GLU 85 3HB GLU 85 -8.525 7.894 -6.317 467 HG2 GLU 85 2HG GLU 85 -9.690 8.232 -4.085 468 HG3 GLU 85 3HG GLU 85 -8.152 8.782 -3.430 469 H ARG 86 H ARG 86 -5.882 4.748 -5.095 470 HA ARG 86 HA ARG 86 -6.280 4.071 -7.978 471 HE ARG 86 HE ARG 86 -3.138 7.863 -8.832 472 HB2 ARG 86 2HB ARG 86 -3.981 4.835 -6.220 473 HB3 ARG 86 3HB ARG 86 -3.641 3.546 -7.137 474 HG2 ARG 86 2HG ARG 86 -2.950 5.476 -8.313 475 HG3 ARG 86 3HG ARG 86 -4.320 4.850 -9.243 476 HD2 ARG 86 2HD ARG 86 -5.794 6.563 -8.306 477 HD3 ARG 86 3HD ARG 86 -4.554 7.021 -7.121 478 HH11 ARG 86 2HH2 ARG 86 -6.493 7.669 -9.875 479 HH12 ARG 86 1HH2 ARG 86 -6.389 9.196 -10.709 480 HH21 ARG 86 1HH1 ARG 86 -3.151 9.785 -9.658 481 HH22 ARG 86 2HH1 ARG 86 -4.460 10.354 -10.692 482 H LEU 87 H LEU 87 -5.704 2.694 -4.779 483 HA LEU 87 HA LEU 87 -5.657 -0.035 -5.874 484 HG LEU 87 HG LEU 87 -3.316 -0.494 -5.660 485 HB2 LEU 87 2HB LEU 87 -4.243 1.366 -3.573 486 HB3 LEU 87 3HB LEU 87 -4.502 -0.332 -3.561 487 HD11 LEU 87 1HD1 LEU 87 -1.740 1.279 -6.347 488 HD12 LEU 87 2HD1 LEU 87 -3.434 1.361 -6.814 489 HD13 LEU 87 3HD1 LEU 87 -2.808 2.392 -5.462 490 HD21 LEU 87 3HD2 LEU 87 -1.026 -0.094 -4.689 491 HD22 LEU 87 1HD2 LEU 87 -1.784 0.882 -3.421 492 HD23 LEU 87 2HD2 LEU 87 -2.124 -0.862 -3.540 493 H ASN 88 H ASN 88 -7.890 1.987 -4.302 494 HA ASN 88 HA ASN 88 -8.561 0.128 -2.226 495 HB2 ASN 88 2HB ASN 88 -9.011 2.526 -1.990 496 HB3 ASN 88 3HB ASN 88 -10.314 2.387 -3.186 497 HD21 ASN 88 1HD2 ASN 88 -12.046 2.743 -1.727 498 HD22 ASN 88 2HD2 ASN 88 -12.398 1.661 -0.381 499 H ASN 89 H ASN 89 -9.142 -1.828 -2.718 500 HA ASN 89 HA ASN 89 -10.199 -3.631 -3.356 501 HB2 ASN 89 2HB ASN 89 -12.158 -2.347 -2.356 502 HB3 ASN 89 3HB ASN 89 -12.727 -2.153 -4.013 503 HD21 ASN 89 1HD2 ASN 89 -11.729 -4.556 -1.528 504 HD22 ASN 89 2HD2 ASN 89 -12.692 -5.861 -2.207 505 H ILE 90 H ILE 90 -8.418 -3.123 -4.915 506 HA ILE 90 HA ILE 90 -9.369 -3.328 -7.754 507 HB ILE 90 HB ILE 90 -7.139 -2.677 -8.477 508 HG12 ILE 90 2HG1 ILE 90 -6.175 -2.141 -5.694 509 HG13 ILE 90 3HG1 ILE 90 -5.915 -3.697 -6.426 510 HG21 ILE 90 1HG2 ILE 90 -8.887 -0.998 -8.009 511 HG22 ILE 90 2HG2 ILE 90 -8.137 -0.688 -6.435 512 HG23 ILE 90 3HG2 ILE 90 -7.239 -0.384 -7.943 513 HD11 ILE 90 3HD1 ILE 90 -4.025 -2.248 -6.753 514 HD12 ILE 90 1HD1 ILE 90 -4.711 -2.841 -8.271 515 HD13 ILE 90 2HD1 ILE 90 -4.997 -1.151 -7.757 516 H GLU 91 H GLU 91 -8.443 -5.008 -9.038 517 HA GLU 91 HA GLU 91 -7.601 -7.352 -7.468 518 HB2 GLU 91 2HB GLU 91 -9.412 -7.462 -9.201 519 HB3 GLU 91 3HB GLU 91 -8.101 -7.238 -10.359 520 HG2 GLU 91 2HG GLU 91 -6.987 -9.280 -9.338 521 HG3 GLU 91 3HG GLU 91 -8.477 -9.547 -8.445 522 H PHE 92 H PHE 92 -5.693 -7.380 -6.913 523 HA PHE 92 HA PHE 92 -3.306 -6.338 -8.177 524 HD1 PHE 92 HD1 PHE 92 -1.026 -7.714 -7.771 525 HD2 PHE 92 HD2 PHE 92 -2.459 -7.248 -3.709 526 HE1 PHE 92 HE1 PHE 92 1.266 -7.966 -6.929 527 HE2 PHE 92 HE2 PHE 92 -0.124 -7.465 -2.901 528 HZ PHE 92 HZ PHE 92 1.714 -7.786 -4.512 529 HB2 PHE 92 2HB PHE 92 -3.824 -6.450 -5.741 530 HB3 PHE 92 3HB PHE 92 -3.937 -8.090 -5.783 531 H ARG 93 H ARG 93 -3.506 -7.500 -10.234 532 HA ARG 93 HA ARG 93 -2.940 -9.078 -11.761 533 HE ARG 93 HE ARG 93 1.680 -7.024 -11.870 534 HB2 ARG 93 2HB ARG 93 -0.998 -9.922 -9.583 535 HB3 ARG 93 3HB ARG 93 -0.906 -10.444 -11.259 536 HG2 ARG 93 2HG ARG 93 -0.523 -8.154 -12.025 537 HG3 ARG 93 3HG ARG 93 -0.646 -7.544 -10.359 538 HD2 ARG 93 2HD ARG 93 1.242 -8.893 -9.660 539 HD3 ARG 93 3HD ARG 93 1.329 -9.692 -11.233 540 HH11 ARG 93 2HH2 ARG 93 3.376 -9.234 -9.678 541 HH12 ARG 93 1HH2 ARG 93 4.889 -8.355 -9.912 542 HH21 ARG 93 2HH1 ARG 93 3.809 -6.104 -12.136 543 HH22 ARG 93 1HH1 ARG 93 5.090 -6.776 -11.119 544 H GLY 94 H GLY 94 -4.634 -10.173 -9.187 545 HA2 GLY 94 2HA GLY 94 -5.870 -12.458 -10.002 546 HA3 GLY 94 3HA GLY 94 -4.294 -13.055 -9.475 547 H SER 95 H SER 95 -4.367 -10.682 -7.274 548 HA SER 95 HA SER 95 -6.222 -12.004 -5.360 549 HG SER 95 HG SER 95 -3.060 -12.153 -3.757 550 HB2 SER 95 2HB SER 95 -3.741 -10.268 -4.911 551 HB3 SER 95 3HB SER 95 -4.842 -10.854 -3.654 552 H VAL 96 H VAL 96 -6.694 -9.887 -3.790 553 HA VAL 96 HA VAL 96 -6.924 -7.436 -5.353 554 HB VAL 96 HB VAL 96 -8.992 -7.533 -5.980 555 HG11 VAL 96 1HG1 VAL 96 -9.537 -9.870 -4.206 556 HG12 VAL 96 2HG1 VAL 96 -10.650 -9.173 -5.428 557 HG13 VAL 96 3HG1 VAL 96 -9.108 -9.843 -5.956 558 HG21 VAL 96 3HG2 VAL 96 -10.842 -7.031 -4.576 559 HG22 VAL 96 1HG2 VAL 96 -9.907 -7.416 -3.115 560 HG23 VAL 96 2HG2 VAL 96 -9.461 -6.033 -4.150 561 H ILE 97 H ILE 97 -7.087 -5.582 -3.981 562 HA ILE 97 HA ILE 97 -6.863 -5.974 -1.030 563 HB ILE 97 HB ILE 97 -5.188 -3.986 -1.179 564 HG12 ILE 97 2HG1 ILE 97 -4.616 -5.269 -3.858 565 HG13 ILE 97 3HG1 ILE 97 -5.452 -3.722 -3.677 566 HG21 ILE 97 1HG2 ILE 97 -4.689 -6.239 -0.275 567 HG22 ILE 97 2HG2 ILE 97 -4.212 -6.771 -1.903 568 HG23 ILE 97 3HG2 ILE 97 -3.307 -5.484 -1.059 569 HD11 ILE 97 3HD1 ILE 97 -3.445 -2.802 -2.499 570 HD12 ILE 97 1HD1 ILE 97 -2.572 -4.303 -2.905 571 HD13 ILE 97 2HD1 ILE 97 -3.169 -3.240 -4.196 572 H THR 98 H THR 98 -7.832 -4.537 0.146 573 HA THR 98 HA THR 98 -9.282 -2.113 -0.898 574 HB THR 98 HB THR 98 -9.466 -3.634 1.707 575 HG1 THR 98 1HG THR 98 -11.378 -4.498 0.877 576 HG21 THR 98 1HG2 THR 98 -10.252 -1.262 1.830 577 HG22 THR 98 2HG2 THR 98 -11.425 -1.636 0.542 578 HG23 THR 98 3HG2 THR 98 -11.528 -2.458 2.116 579 H VAL 99 H VAL 99 -8.608 -0.137 -0.002 580 HA VAL 99 HA VAL 99 -6.332 -0.265 1.912 581 HB VAL 99 HB VAL 99 -4.859 1.032 0.653 582 HG11 VAL 99 1HG1 VAL 99 -4.286 -0.408 -1.145 583 HG12 VAL 99 2HG1 VAL 99 -5.076 -1.433 0.056 584 HG13 VAL 99 3HG1 VAL 99 -5.966 -0.945 -1.371 585 HG21 VAL 99 3HG2 VAL 99 -5.431 1.661 -1.713 586 HG22 VAL 99 1HG2 VAL 99 -7.124 1.315 -1.274 587 HG23 VAL 99 2HG2 VAL 99 -6.217 2.584 -0.432 588 H GLU 100 H GLU 100 -5.981 1.417 3.133 589 HA GLU 100 HA GLU 100 -7.497 3.944 2.916 590 HB2 GLU 100 2HB GLU 100 -8.730 3.575 5.042 591 HB3 GLU 100 3HB GLU 100 -9.310 2.494 3.798 592 HG2 GLU 100 2HG GLU 100 -7.305 1.644 5.941 593 HG3 GLU 100 3HG GLU 100 -9.034 1.634 6.207 594 H ARG 101 H ARG 101 -7.037 5.465 4.489 595 HA ARG 101 HA ARG 101 -4.390 5.300 5.562 596 HE ARG 101 HE ARG 101 -8.289 5.333 7.104 597 HB2 ARG 101 2HB ARG 101 -4.606 7.446 6.273 598 HB3 ARG 101 3HB ARG 101 -5.530 7.374 4.815 599 HG2 ARG 101 2HG ARG 101 -6.464 7.786 7.632 600 HG3 ARG 101 3HG ARG 101 -6.634 8.829 6.229 601 HD2 ARG 101 2HD ARG 101 -8.770 8.167 6.385 602 HD3 ARG 101 3HD ARG 101 -8.205 6.894 5.320 603 HH11 ARG 101 1HH1 ARG 101 -8.984 8.463 8.463 604 HH12 ARG 101 2HH1 ARG 101 -8.560 7.924 10.036 605 HH21 ARG 101 1HH2 ARG 101 -8.079 4.678 9.135 606 HH22 ARG 101 2HH2 ARG 101 -8.527 5.728 10.462 607 H ASP 102 H ASP 102 -3.572 5.063 7.537 608 HA ASP 102 HA ASP 102 -5.335 3.718 9.552 609 HB2 ASP 102 2HB ASP 102 -4.049 2.266 7.882 610 HB3 ASP 102 3HB ASP 102 -2.582 2.810 8.684 611 H ASP 103 H ASP 103 -2.840 6.035 9.052 612 HA ASP 103 HA ASP 103 -2.987 6.634 11.941 613 HB2 ASP 103 2HB ASP 103 -0.645 5.662 10.729 614 HB3 ASP 103 3HB ASP 103 -0.350 7.378 10.884 615 H ASN 104 H ASN 104 -4.561 7.542 9.865 616 HA ASN 104 HA ASN 104 -4.420 10.417 10.364 617 HB2 ASN 104 2HB ASN 104 -3.231 9.949 8.134 618 HB3 ASN 104 3HB ASN 104 -4.781 9.456 7.500 619 HD21 ASN 104 2HD2 ASN 104 -6.551 11.300 8.050 620 HD22 ASN 104 1HD2 ASN 104 -6.031 12.877 7.435 Start of MODEL 3 1 HA PRO 25 HA PRO 25 9.386 15.580 7.239 2 HB2 PRO 25 2HB PRO 25 9.541 14.912 4.278 3 HB3 PRO 25 3HB PRO 25 10.776 15.687 5.318 4 HG2 PRO 25 2HG PRO 25 10.766 12.990 4.896 5 HG3 PRO 25 3HG PRO 25 11.176 13.665 6.499 6 HD2 PRO 25 2HD PRO 25 8.726 12.202 5.674 7 HD3 PRO 25 3HD PRO 25 9.402 12.441 7.299 8 H ALA 26 H ALA 26 8.289 16.341 3.983 9 HA ALA 26 HA ALA 26 6.887 18.722 4.624 10 HB1 ALA 26 1HB ALA 26 7.797 18.099 2.408 11 HB2 ALA 26 2HB ALA 26 6.602 16.790 2.273 12 HB3 ALA 26 3HB ALA 26 6.059 18.482 2.299 13 H LYS 27 H LYS 27 5.764 15.419 4.133 14 HA LYS 27 HA LYS 27 3.474 15.801 6.007 15 HB2 LYS 27 2HB LYS 27 3.165 15.186 3.251 16 HB3 LYS 27 3HB LYS 27 3.107 13.646 4.001 17 HG2 LYS 27 2HG LYS 27 1.372 16.007 4.865 18 HG3 LYS 27 3HG LYS 27 0.906 14.773 3.706 19 HD2 LYS 27 2HD LYS 27 1.438 13.040 5.555 20 HD3 LYS 27 3HD LYS 27 1.429 14.417 6.669 21 HE2 LYS 27 2HE LYS 27 -0.858 13.414 4.954 22 HE3 LYS 27 3HE LYS 27 -0.673 13.242 6.701 23 HZ1 LYS 27 3HZ LYS 27 -0.666 15.776 6.734 24 HZ2 LYS 27 1HZ LYS 27 -1.226 15.713 5.173 25 HZ3 LYS 27 2HZ LYS 27 -2.092 15.067 6.405 26 H ARG 28 H ARG 28 3.278 14.065 7.430 27 HA ARG 28 HA ARG 28 4.733 11.594 6.770 28 HE ARG 28 HE ARG 28 6.270 8.905 9.045 29 HB2 ARG 28 2HB ARG 28 4.796 13.423 9.112 30 HB3 ARG 28 3HB ARG 28 4.178 11.895 9.619 31 HG2 ARG 28 2HG ARG 28 6.503 11.399 7.909 32 HG3 ARG 28 3HG ARG 28 6.836 12.717 9.036 33 HD2 ARG 28 2HD ARG 28 7.498 10.670 10.068 34 HD3 ARG 28 3HD ARG 28 6.050 11.253 10.911 35 HH11 ARG 28 2HH2 ARG 28 4.026 10.600 11.270 36 HH12 ARG 28 1HH2 ARG 28 2.834 9.327 10.981 37 HH21 ARG 28 2HH1 ARG 28 4.670 7.362 9.037 38 HH22 ARG 28 1HH1 ARG 28 3.145 7.732 9.883 39 H TYR 29 H TYR 29 3.567 9.940 6.486 40 HA TYR 29 HA TYR 29 1.067 9.464 7.938 41 HD1 TYR 29 HD1 TYR 29 0.298 7.081 4.925 42 HD2 TYR 29 HD2 TYR 29 2.094 10.854 3.742 43 HE1 TYR 29 HE1 TYR 29 1.210 6.002 2.888 44 HE2 TYR 29 HE2 TYR 29 2.779 9.840 1.675 45 HH TYR 29 HH TYR 29 2.832 7.841 0.362 46 HB2 TYR 29 2HB TYR 29 -0.280 9.132 6.000 47 HB3 TYR 29 3HB TYR 29 0.501 10.679 5.702 48 H ARG 30 H ARG 30 0.395 7.297 7.755 49 HA ARG 30 HA ARG 30 2.124 5.390 6.309 50 HE ARG 30 HE ARG 30 0.921 2.673 9.762 51 HB2 ARG 30 2HB ARG 30 2.693 5.869 8.856 52 HB3 ARG 30 3HB ARG 30 1.318 4.880 9.161 53 HG2 ARG 30 2HG ARG 30 3.708 4.019 7.472 54 HG3 ARG 30 3HG ARG 30 3.722 3.886 9.213 55 HD2 ARG 30 2HD ARG 30 1.700 2.506 7.434 56 HD3 ARG 30 3HD ARG 30 3.193 1.771 8.002 57 HH11 ARG 30 2HH2 ARG 30 3.891 0.800 9.622 58 HH12 ARG 30 1HH2 ARG 30 3.452 -0.117 11.029 59 HH21 ARG 30 2HH1 ARG 30 0.348 1.366 11.384 60 HH22 ARG 30 1HH1 ARG 30 1.489 0.199 12.019 61 H ILE 31 H ILE 31 0.932 3.783 5.393 62 HA ILE 31 HA ILE 31 -2.012 3.606 5.976 63 HB ILE 31 HB ILE 31 -2.387 2.817 3.697 64 HG12 ILE 31 2HG1 ILE 31 0.526 3.403 3.125 65 HG13 ILE 31 3HG1 ILE 31 -0.193 1.785 3.280 66 HG21 ILE 31 1HG2 ILE 31 -0.888 5.440 3.626 67 HG22 ILE 31 2HG2 ILE 31 -2.143 4.878 2.508 68 HG23 ILE 31 3HG2 ILE 31 -2.560 5.222 4.177 69 HD11 ILE 31 3HD1 ILE 31 -1.721 2.343 1.359 70 HD12 ILE 31 1HD1 ILE 31 -0.746 3.817 1.102 71 HD13 ILE 31 2HD1 ILE 31 0.003 2.226 0.951 72 H THR 32 H THR 32 -2.978 1.606 5.595 73 HA THR 32 HA THR 32 -1.290 -0.824 6.151 74 HB THR 32 HB THR 32 -4.218 -0.116 6.676 75 HG1 THR 32 1HG THR 32 -2.673 0.629 8.186 76 HG21 THR 32 1HG2 THR 32 -2.774 -2.770 7.158 77 HG22 THR 32 2HG2 THR 32 -4.348 -2.336 7.868 78 HG23 THR 32 3HG2 THR 32 -4.185 -2.476 6.110 79 H MET 33 H MET 33 -1.417 -2.473 4.801 80 HA MET 33 HA MET 33 -3.480 -2.542 2.740 81 HB2 MET 33 2HB MET 33 -0.613 -3.356 2.087 82 HB3 MET 33 3HB MET 33 -1.960 -3.084 1.006 83 HG2 MET 33 2HG MET 33 -1.814 -0.624 1.948 84 HG3 MET 33 3HG MET 33 -0.197 -1.129 2.403 85 HE1 MET 33 3HE MET 33 0.931 -2.047 -1.449 86 HE2 MET 33 1HE MET 33 1.227 -2.495 0.241 87 HE3 MET 33 2HE MET 33 -0.253 -3.042 -0.571 88 H LYS 34 H LYS 34 -4.487 -4.441 2.668 89 HA LYS 34 HA LYS 34 -3.137 -7.013 3.190 90 HB2 LYS 34 2HB LYS 34 -5.367 -7.307 4.911 91 HB3 LYS 34 3HB LYS 34 -3.809 -7.300 5.257 92 HG2 LYS 34 2HG LYS 34 -5.028 -5.846 6.757 93 HG3 LYS 34 3HG LYS 34 -4.240 -4.668 5.692 94 HD2 LYS 34 2HD LYS 34 -6.310 -4.738 4.219 95 HD3 LYS 34 3HD LYS 34 -7.044 -5.881 5.328 96 HE2 LYS 34 2HE LYS 34 -7.169 -4.290 7.106 97 HE3 LYS 34 3HE LYS 34 -6.184 -3.114 6.223 98 HZ1 LYS 34 3HZ LYS 34 -8.588 -2.641 6.079 99 HZ2 LYS 34 1HZ LYS 34 -7.896 -2.782 4.661 100 HZ3 LYS 34 2HZ LYS 34 -8.830 -4.041 5.236 101 H ASN 35 H ASN 35 -4.507 -8.792 3.189 102 HA ASN 35 HA ASN 35 -7.098 -8.535 3.353 103 HB2 ASN 35 2HB ASN 35 -7.624 -7.696 1.415 104 HB3 ASN 35 3HB ASN 35 -6.418 -8.429 0.474 105 HD21 ASN 35 1HD2 ASN 35 -6.911 -10.385 -0.625 106 HD22 ASN 35 2HD2 ASN 35 -8.567 -10.964 -0.744 107 H LEU 36 H LEU 36 -8.379 -10.801 2.821 108 HA LEU 36 HA LEU 36 -7.102 -12.354 4.848 109 HG LEU 36 HG LEU 36 -10.761 -12.246 5.523 110 HB2 LEU 36 2HB LEU 36 -9.722 -12.648 3.349 111 HB3 LEU 36 3HB LEU 36 -9.209 -13.779 4.588 112 HD11 LEU 36 1HD1 LEU 36 -8.887 -13.023 6.970 113 HD12 LEU 36 2HD1 LEU 36 -8.029 -11.501 6.633 114 HD13 LEU 36 3HD1 LEU 36 -9.588 -11.476 7.473 115 HD21 LEU 36 3HD2 LEU 36 -10.346 -10.279 4.026 116 HD22 LEU 36 1HD2 LEU 36 -10.503 -9.887 5.747 117 HD23 LEU 36 2HD2 LEU 36 -8.900 -9.903 5.003 118 HA PRO 37 HA PRO 37 -6.722 -16.153 2.046 119 HB2 PRO 37 2HB PRO 37 -6.644 -15.969 -0.691 120 HB3 PRO 37 3HB PRO 37 -8.143 -16.184 0.259 121 HG2 PRO 37 2HG PRO 37 -6.976 -13.615 -0.818 122 HG3 PRO 37 3HG PRO 37 -8.665 -14.189 -0.933 123 HD2 PRO 37 2HD PRO 37 -7.892 -12.417 0.963 124 HD3 PRO 37 3HD PRO 37 -9.086 -13.689 1.331 125 H GLU 38 H GLU 38 -5.040 -13.198 1.342 126 HA GLU 38 HA GLU 38 -2.408 -14.625 1.231 127 HB2 GLU 38 2HB GLU 38 -1.577 -13.052 -0.292 128 HB3 GLU 38 3HB GLU 38 -3.050 -13.730 -0.960 129 HG2 GLU 38 2HG GLU 38 -2.878 -10.991 0.360 130 HG3 GLU 38 3HG GLU 38 -2.730 -11.284 -1.353 131 H GLY 39 H GLY 39 -1.143 -11.997 1.305 132 HA2 GLY 39 2HA GLY 39 -1.394 -10.684 3.656 133 HA3 GLY 39 3HA GLY 39 -0.528 -12.159 4.152 134 H CYS 40 H CYS 40 0.643 -12.268 1.399 135 HA CYS 40 HA CYS 40 2.316 -11.703 0.148 136 HG CYS 40 HG CYS 40 -0.193 -8.658 -0.891 137 HB2 CYS 40 2HB CYS 40 1.647 -8.842 0.909 138 HB3 CYS 40 3HB CYS 40 2.377 -9.426 -0.594 139 H SER 41 H SER 41 4.182 -9.413 0.382 140 HA SER 41 HA SER 41 5.530 -9.389 2.939 141 HG SER 41 HG SER 41 5.640 -11.904 2.527 142 HB2 SER 41 2HB SER 41 6.740 -10.915 0.611 143 HB3 SER 41 3HB SER 41 7.757 -10.150 1.847 144 H TRP 42 H TRP 42 7.585 -7.898 2.718 145 HA TRP 42 HA TRP 42 6.655 -5.603 1.451 146 HD1 TRP 42 HD1 TRP 42 11.054 -4.039 2.359 147 HE1 TRP 42 HE1 TRP 42 11.023 -1.769 1.169 148 HE3 TRP 42 HE3 TRP 42 6.044 -3.758 1.126 149 HZ2 TRP 42 HZ2 TRP 42 9.171 -0.232 -0.431 150 HZ3 TRP 42 HZ3 TRP 42 5.249 -2.004 -0.368 151 HH2 TRP 42 HH2 TRP 42 6.769 -0.302 -1.213 152 HB2 TRP 42 2HB TRP 42 8.204 -5.449 3.306 153 HB3 TRP 42 3HB TRP 42 9.486 -6.139 2.352 154 H GLN 43 H GLN 43 9.376 -7.608 0.183 155 HA GLN 43 HA GLN 43 9.728 -5.985 -2.059 156 HB2 GLN 43 2HB GLN 43 10.786 -8.003 -3.141 157 HB3 GLN 43 3HB GLN 43 11.413 -7.648 -1.539 158 HG2 GLN 43 2HG GLN 43 10.680 -9.614 -0.653 159 HG3 GLN 43 3HG GLN 43 9.121 -9.522 -1.448 160 HE21 GLN 43 2HE2 GLN 43 8.774 -11.354 -2.621 161 HE22 GLN 43 1HE2 GLN 43 10.006 -12.116 -3.640 162 H ASP 44 H ASP 44 7.211 -8.158 -1.572 163 HA ASP 44 HA ASP 44 6.442 -8.544 -4.371 164 HB2 ASP 44 2HB ASP 44 5.412 -9.292 -1.606 165 HB3 ASP 44 3HB ASP 44 4.477 -9.512 -3.028 166 H LEU 45 H LEU 45 5.180 -6.886 -1.478 167 HA LEU 45 HA LEU 45 3.048 -5.475 -2.745 168 HG LEU 45 HG LEU 45 3.155 -6.936 -0.089 169 HB2 LEU 45 2HB LEU 45 4.788 -5.145 -0.266 170 HB3 LEU 45 3HB LEU 45 3.572 -3.969 -0.605 171 HD11 LEU 45 1HD1 LEU 45 2.353 -4.347 1.342 172 HD12 LEU 45 2HD1 LEU 45 2.078 -6.017 1.942 173 HD13 LEU 45 3HD1 LEU 45 3.728 -5.363 1.767 174 HD21 LEU 45 3HD2 LEU 45 0.718 -6.479 -0.045 175 HD22 LEU 45 1HD2 LEU 45 1.013 -4.834 -0.634 176 HD23 LEU 45 2HD2 LEU 45 1.368 -6.211 -1.672 177 H LYS 46 H LYS 46 6.431 -4.547 -2.133 178 HA LYS 46 HA LYS 46 6.517 -1.908 -3.352 179 HB2 LYS 46 2HB LYS 46 8.343 -3.034 -2.043 180 HB3 LYS 46 3HB LYS 46 8.524 -4.183 -3.340 181 HG2 LYS 46 2HG LYS 46 8.723 -1.634 -4.607 182 HG3 LYS 46 3HG LYS 46 9.557 -1.460 -3.067 183 HD2 LYS 46 2HD LYS 46 11.224 -2.199 -4.537 184 HD3 LYS 46 3HD LYS 46 10.756 -3.628 -3.613 185 HE2 LYS 46 2HE LYS 46 9.123 -3.284 -6.067 186 HE3 LYS 46 3HE LYS 46 10.828 -3.224 -6.471 187 HZ1 LYS 46 3HZ LYS 46 11.116 -5.412 -5.491 188 HZ2 LYS 46 1HZ LYS 46 9.534 -5.504 -5.051 189 HZ3 LYS 46 2HZ LYS 46 9.945 -5.460 -6.635 190 H ASP 47 H ASP 47 7.117 -5.087 -4.872 191 HA ASP 47 HA ASP 47 7.382 -3.980 -7.464 192 HB2 ASP 47 2HB ASP 47 7.416 -6.566 -6.265 193 HB3 ASP 47 3HB ASP 47 6.041 -6.676 -7.283 194 H LEU 48 H LEU 48 4.420 -5.315 -6.013 195 HA LEU 48 HA LEU 48 2.791 -4.726 -8.247 196 HG LEU 48 HG LEU 48 -0.048 -5.477 -6.191 197 HB2 LEU 48 2HB LEU 48 2.164 -6.083 -6.241 198 HB3 LEU 48 3HB LEU 48 1.960 -4.614 -5.308 199 HD11 LEU 48 1HD1 LEU 48 -0.505 -3.587 -5.533 200 HD12 LEU 48 2HD1 LEU 48 0.102 -2.790 -6.985 201 HD13 LEU 48 3HD1 LEU 48 -1.313 -3.875 -7.103 202 HD21 LEU 48 3HD2 LEU 48 0.822 -6.453 -8.293 203 HD22 LEU 48 1HD2 LEU 48 -0.756 -5.662 -8.464 204 HD23 LEU 48 2HD2 LEU 48 0.720 -4.845 -9.009 205 H ALA 49 H ALA 49 3.477 -2.788 -5.339 206 HA ALA 49 HA ALA 49 1.823 -0.630 -5.948 207 HB1 ALA 49 1HB ALA 49 3.165 0.420 -4.200 208 HB2 ALA 49 2HB ALA 49 2.794 -1.214 -3.822 209 HB3 ALA 49 3HB ALA 49 4.435 -0.806 -4.405 210 H ARG 50 H ARG 50 5.192 -1.317 -6.926 211 HA ARG 50 HA ARG 50 5.629 0.993 -8.584 212 HE ARG 50 HE ARG 50 9.511 0.973 -5.703 213 HB2 ARG 50 2HB ARG 50 6.951 -1.626 -9.181 214 HB3 ARG 50 3HB ARG 50 7.516 0.012 -9.447 215 HG2 ARG 50 2HG ARG 50 7.634 -1.680 -7.029 216 HG3 ARG 50 3HG ARG 50 8.840 -0.736 -7.678 217 HD2 ARG 50 2HD ARG 50 6.675 0.922 -6.590 218 HD3 ARG 50 3HD ARG 50 7.432 -0.118 -5.426 219 HH11 ARG 50 1HH1 ARG 50 7.134 2.721 -7.658 220 HH12 ARG 50 2HH1 ARG 50 8.403 3.786 -8.253 221 HH21 ARG 50 1HH2 ARG 50 10.940 2.529 -6.504 222 HH22 ARG 50 2HH2 ARG 50 10.286 3.759 -7.584 223 H GLU 51 H GLU 51 3.881 -2.096 -9.209 224 HA GLU 51 HA GLU 51 3.603 -1.548 -12.106 225 HB2 GLU 51 2HB GLU 51 1.928 -3.265 -10.216 226 HB3 GLU 51 3HB GLU 51 1.710 -3.188 -11.870 227 HG2 GLU 51 2HG GLU 51 4.537 -3.810 -11.364 228 HG3 GLU 51 3HG GLU 51 3.578 -4.724 -10.234 229 H ASN 52 H ASN 52 2.027 -0.552 -9.197 230 HA ASN 52 HA ASN 52 -0.466 0.267 -10.557 231 HB2 ASN 52 2HB ASN 52 0.418 -0.848 -7.938 232 HB3 ASN 52 3HB ASN 52 -0.898 0.116 -7.815 233 HD21 ASN 52 2HD2 ASN 52 0.278 -2.715 -9.355 234 HD22 ASN 52 1HD2 ASN 52 -1.310 -3.447 -9.410 235 H SER 53 H SER 53 2.205 1.903 -9.350 236 HA SER 53 HA SER 53 2.457 4.100 -10.265 237 HG SER 53 HG SER 53 -0.657 3.901 -10.849 238 HB2 SER 53 2HB SER 53 -0.162 4.879 -8.946 239 HB3 SER 53 3HB SER 53 0.968 5.933 -9.796 240 H LEU 54 H LEU 54 2.386 2.655 -7.337 241 HA LEU 54 HA LEU 54 2.963 4.921 -5.570 242 HG LEU 54 HG LEU 54 1.228 1.752 -4.846 243 HB2 LEU 54 2HB LEU 54 3.380 1.998 -5.443 244 HB3 LEU 54 3HB LEU 54 3.757 2.867 -4.081 245 HD11 LEU 54 1HD1 LEU 54 0.658 1.986 -2.530 246 HD12 LEU 54 2HD1 LEU 54 2.394 1.684 -2.535 247 HD13 LEU 54 3HD1 LEU 54 1.792 3.321 -2.293 248 HD21 LEU 54 3HD2 LEU 54 -0.333 3.497 -4.284 249 HD22 LEU 54 1HD2 LEU 54 0.971 4.699 -4.138 250 HD23 LEU 54 2HD2 LEU 54 0.549 3.965 -5.705 251 H GLU 55 H GLU 55 4.813 5.433 -4.811 252 HA GLU 55 HA GLU 55 7.385 4.246 -5.469 253 HB2 GLU 55 2HB GLU 55 6.956 5.819 -7.340 254 HB3 GLU 55 3HB GLU 55 6.871 7.166 -6.190 255 HG2 GLU 55 2HG GLU 55 9.109 7.132 -5.758 256 HG3 GLU 55 3HG GLU 55 9.263 5.400 -5.884 257 H THR 56 H THR 56 5.967 4.166 -3.336 258 HA THR 56 HA THR 56 6.313 5.991 -1.194 259 HB THR 56 HB THR 56 5.834 3.938 0.150 260 HG1 THR 56 1HG THR 56 6.847 2.471 -1.407 261 HG21 THR 56 1HG2 THR 56 3.948 4.400 -2.140 262 HG22 THR 56 2HG2 THR 56 3.616 3.353 -0.747 263 HG23 THR 56 3HG2 THR 56 3.894 5.069 -0.476 264 H THR 57 H THR 57 7.684 5.633 0.762 265 HA THR 57 HA THR 57 10.484 5.200 0.018 266 HB THR 57 HB THR 57 9.325 5.586 2.808 267 HG1 THR 57 1HG THR 57 10.173 7.590 0.974 268 HG21 THR 57 1HG2 THR 57 12.047 6.256 1.618 269 HG22 THR 57 2HG2 THR 57 11.473 6.778 3.223 270 HG23 THR 57 3HG2 THR 57 11.678 5.055 2.883 271 H PHE 58 H PHE 58 8.129 3.664 2.231 272 HA PHE 58 HA PHE 58 9.710 1.186 2.405 273 HD1 PHE 58 HD2 PHE 58 8.375 1.200 6.161 274 HD2 PHE 58 HD1 PHE 58 9.810 5.056 4.873 275 HE1 PHE 58 HE2 PHE 58 7.459 2.224 8.210 276 HE2 PHE 58 HE1 PHE 58 9.027 6.046 6.995 277 HZ PHE 58 HZ PHE 58 7.827 4.642 8.662 278 HB2 PHE 58 2HB PHE 58 10.383 1.494 4.596 279 HB3 PHE 58 3HB PHE 58 10.738 3.017 3.889 280 H SER 59 H SER 59 8.737 -0.420 3.840 281 HA SER 59 HA SER 59 6.042 0.169 4.845 282 HG SER 59 HG SER 59 4.350 -1.580 4.647 283 HB2 SER 59 2HB SER 59 5.475 -0.849 2.765 284 HB3 SER 59 3HB SER 59 6.603 -2.132 3.011 285 H SER 60 H SER 60 5.504 -0.919 6.610 286 HA SER 60 HA SER 60 7.297 -2.834 8.008 287 HG SER 60 HG SER 60 7.219 -1.023 9.737 288 HB2 SER 60 2HB SER 60 4.621 -1.544 8.682 289 HB3 SER 60 3HB SER 60 5.543 -2.601 9.780 290 H VAL 61 H VAL 61 7.127 -4.808 6.897 291 HA VAL 61 HA VAL 61 4.445 -6.130 6.909 292 HB VAL 61 HB VAL 61 6.459 -7.019 4.867 293 HG11 VAL 61 1HG1 VAL 61 4.318 -7.562 3.619 294 HG12 VAL 61 2HG1 VAL 61 4.475 -8.401 5.157 295 HG13 VAL 61 3HG1 VAL 61 3.416 -6.990 5.013 296 HG21 VAL 61 3HG2 VAL 61 6.351 -4.666 4.265 297 HG22 VAL 61 1HG2 VAL 61 5.432 -5.639 3.111 298 HG23 VAL 61 2HG2 VAL 61 4.595 -4.701 4.328 299 H ASN 62 H ASN 62 4.494 -8.386 7.412 300 HA ASN 62 HA ASN 62 5.184 -10.246 8.433 301 HB2 ASN 62 2HB ASN 62 7.950 -9.580 7.341 302 HB3 ASN 62 3HB ASN 62 7.428 -11.147 7.946 303 HD21 ASN 62 1HD2 ASN 62 8.104 -9.664 5.116 304 HD22 ASN 62 2HD2 ASN 62 7.025 -10.664 4.129 305 H THR 63 H THR 63 5.155 -7.724 9.933 306 HA THR 63 HA THR 63 7.318 -7.702 11.889 307 HB THR 63 HB THR 63 6.043 -6.115 13.106 308 HG1 THR 63 1HG THR 63 3.810 -6.829 11.487 309 HG21 THR 63 1HG2 THR 63 5.419 -5.568 10.169 310 HG22 THR 63 2HG2 THR 63 5.528 -4.386 11.492 311 HG23 THR 63 3HG2 THR 63 6.981 -5.258 10.967 312 H ARG 64 H ARG 64 4.097 -8.917 11.748 313 HA ARG 64 HA ARG 64 4.424 -11.471 12.800 314 HE ARG 64 HE ARG 64 1.220 -12.118 14.609 315 HB2 ARG 64 2HB ARG 64 4.297 -9.788 15.017 316 HB3 ARG 64 3HB ARG 64 2.601 -10.088 14.756 317 HG2 ARG 64 2HG ARG 64 4.798 -12.012 15.484 318 HG3 ARG 64 3HG ARG 64 3.296 -11.685 16.328 319 HD2 ARG 64 2HD ARG 64 3.706 -13.340 13.816 320 HD3 ARG 64 3HD ARG 64 3.245 -13.909 15.419 321 HH11 ARG 64 2HH2 ARG 64 2.396 -15.277 13.514 322 HH12 ARG 64 1HH2 ARG 64 0.935 -15.498 12.544 323 HH21 ARG 64 2HH1 ARG 64 -0.481 -12.568 13.206 324 HH22 ARG 64 1HH1 ARG 64 -0.555 -14.167 12.459 325 H ASP 65 H ASP 65 2.255 -8.710 12.796 326 HA ASP 65 HA ASP 65 0.368 -8.115 11.691 327 HB2 ASP 65 2HB ASP 65 1.098 -10.231 9.668 328 HB3 ASP 65 3HB ASP 65 0.199 -8.758 9.399 329 H PHE 66 H PHE 66 -1.631 -9.449 10.214 330 HA PHE 66 HA PHE 66 -2.901 -11.242 12.138 331 HD1 PHE 66 HD2 PHE 66 -2.888 -10.039 7.875 332 HD2 PHE 66 HD1 PHE 66 -5.423 -12.967 9.740 333 HE1 PHE 66 HE2 PHE 66 -3.326 -11.041 5.661 334 HE2 PHE 66 HE1 PHE 66 -5.815 -14.022 7.517 335 HZ PHE 66 HZ PHE 66 -4.747 -13.060 5.469 336 HB2 PHE 66 2HB PHE 66 -4.747 -10.973 10.947 337 HB3 PHE 66 3HB PHE 66 -3.888 -9.665 10.165 338 H ASP 67 H ASP 67 -0.478 -11.600 10.002 339 HA ASP 67 HA ASP 67 0.755 -13.802 10.076 340 HB2 ASP 67 2HB ASP 67 -1.750 -14.584 8.560 341 HB3 ASP 67 3HB ASP 67 -0.198 -15.314 8.182 342 H GLY 68 H GLY 68 -0.789 -11.554 7.934 343 HA2 GLY 68 2HA GLY 68 1.755 -10.580 7.062 344 HA3 GLY 68 3HA GLY 68 0.976 -11.415 5.738 345 H THR 69 H THR 69 1.305 -8.434 7.215 346 HA THR 69 HA THR 69 -0.714 -7.266 5.398 347 HB THR 69 HB THR 69 -1.658 -5.708 6.883 348 HG1 THR 69 1HG THR 69 0.354 -5.840 8.359 349 HG21 THR 69 1HG2 THR 69 -2.728 -7.966 6.968 350 HG22 THR 69 2HG2 THR 69 -1.865 -8.242 8.496 351 HG23 THR 69 3HG2 THR 69 -3.039 -6.916 8.358 352 H GLY 70 H GLY 70 0.125 -5.469 4.432 353 HA2 GLY 70 2HA GLY 70 2.844 -4.625 5.381 354 HA3 GLY 70 3HA GLY 70 2.326 -4.576 3.706 355 H ALA 71 H ALA 71 3.021 -2.684 6.215 356 HA ALA 71 HA ALA 71 0.929 -0.665 5.550 357 HB1 ALA 71 1HB ALA 71 2.508 -1.053 8.124 358 HB2 ALA 71 2HB ALA 71 1.165 0.083 7.850 359 HB3 ALA 71 3HB ALA 71 0.863 -1.653 7.825 360 H LEU 72 H LEU 72 1.581 0.961 4.357 361 HA LEU 72 HA LEU 72 4.457 1.249 3.632 362 HG LEU 72 HG LEU 72 2.750 0.970 0.381 363 HB2 LEU 72 2HB LEU 72 1.862 1.825 2.372 364 HB3 LEU 72 3HB LEU 72 3.163 2.802 1.894 365 HD11 LEU 72 1HD1 LEU 72 4.930 0.486 -0.105 366 HD12 LEU 72 2HD1 LEU 72 4.955 2.035 0.732 367 HD13 LEU 72 3HD1 LEU 72 5.493 0.631 1.564 368 HD21 LEU 72 3HD2 LEU 72 3.391 -0.896 2.642 369 HD22 LEU 72 1HD2 LEU 72 1.910 -0.757 1.740 370 HD23 LEU 72 2HD2 LEU 72 3.369 -1.357 0.932 371 H GLU 73 H GLU 73 5.274 3.346 3.240 372 HA GLU 73 HA GLU 73 3.961 5.774 4.496 373 HB2 GLU 73 2HB GLU 73 5.301 4.856 6.210 374 HB3 GLU 73 3HB GLU 73 6.709 4.782 5.166 375 HG2 GLU 73 2HG GLU 73 7.139 7.044 5.282 376 HG3 GLU 73 3HG GLU 73 5.464 7.491 5.479 377 H PHE 74 H PHE 74 4.601 7.824 3.656 378 HA PHE 74 HA PHE 74 6.978 8.061 2.006 379 HD1 PHE 74 HD1 PHE 74 7.591 7.459 -0.208 380 HD2 PHE 74 HD2 PHE 74 5.236 11.014 -0.561 381 HE1 PHE 74 HE1 PHE 74 9.242 8.377 -1.807 382 HE2 PHE 74 HE2 PHE 74 6.909 11.984 -2.108 383 HZ PHE 74 HZ PHE 74 8.916 10.658 -2.752 384 HB2 PHE 74 2HB PHE 74 4.722 7.754 0.450 385 HB3 PHE 74 3HB PHE 74 4.558 9.401 0.862 386 HA PRO 75 HA PRO 75 7.148 12.212 3.876 387 HB2 PRO 75 2HB PRO 75 8.373 12.789 1.154 388 HB3 PRO 75 3HB PRO 75 8.861 13.438 2.752 389 HG2 PRO 75 2HG PRO 75 10.204 11.351 1.735 390 HG3 PRO 75 3HG PRO 75 9.674 11.278 3.451 391 HD2 PRO 75 2HD PRO 75 8.419 10.016 1.029 392 HD3 PRO 75 3HD PRO 75 8.661 9.336 2.670 393 H SER 76 H SER 76 5.050 11.609 1.190 394 HA SER 76 HA SER 76 3.804 14.316 1.485 395 HG SER 76 HG SER 76 5.225 15.090 -1.545 396 HB2 SER 76 2HB SER 76 4.313 12.874 -1.096 397 HB3 SER 76 3HB SER 76 3.340 14.315 -0.924 398 H GLU 77 H GLU 77 1.635 14.156 1.776 399 HA GLU 77 HA GLU 77 0.180 11.757 1.662 400 HB2 GLU 77 2HB GLU 77 -1.863 13.153 1.730 401 HB3 GLU 77 3HB GLU 77 -0.658 13.532 2.943 402 HG2 GLU 77 2HG GLU 77 0.114 15.466 1.475 403 HG3 GLU 77 3HG GLU 77 -1.203 15.082 0.372 404 H GLU 78 H GLU 78 1.200 13.649 -0.995 405 HA GLU 78 HA GLU 78 -0.575 13.076 -3.074 406 HB2 GLU 78 2HB GLU 78 2.476 12.823 -3.041 407 HB3 GLU 78 3HB GLU 78 1.487 12.961 -4.500 408 HG2 GLU 78 2HG GLU 78 0.844 15.238 -3.911 409 HG3 GLU 78 3HG GLU 78 1.628 15.112 -2.333 410 H ILE 79 H ILE 79 2.002 10.925 -1.809 411 HA ILE 79 HA ILE 79 1.325 8.704 -3.557 412 HB ILE 79 HB ILE 79 3.158 8.864 -1.149 413 HG12 ILE 79 2HG1 ILE 79 3.346 9.852 -3.887 414 HG13 ILE 79 3HG1 ILE 79 4.193 10.334 -2.494 415 HG21 ILE 79 1HG2 ILE 79 3.111 6.749 -3.347 416 HG22 ILE 79 2HG2 ILE 79 4.253 6.832 -1.970 417 HG23 ILE 79 3HG2 ILE 79 2.562 6.507 -1.682 418 HD11 ILE 79 3HD1 ILE 79 5.765 8.342 -2.877 419 HD12 ILE 79 1HD1 ILE 79 4.883 8.047 -4.395 420 HD13 ILE 79 2HD1 ILE 79 5.759 9.570 -4.160 421 H LEU 80 H LEU 80 0.487 9.638 -0.285 422 HA LEU 80 HA LEU 80 -0.656 7.195 0.586 423 HG LEU 80 HG LEU 80 -3.253 9.334 1.628 424 HB2 LEU 80 2HB LEU 80 -0.278 8.789 2.212 425 HB3 LEU 80 3HB LEU 80 -0.921 10.101 1.316 426 HD11 LEU 80 1HD1 LEU 80 -3.763 7.733 3.352 427 HD12 LEU 80 2HD1 LEU 80 -2.741 6.958 2.130 428 HD13 LEU 80 3HD1 LEU 80 -2.037 7.490 3.687 429 HD21 LEU 80 3HD2 LEU 80 -1.685 9.829 4.159 430 HD22 LEU 80 1HD2 LEU 80 -2.326 11.071 3.050 431 HD23 LEU 80 2HD2 LEU 80 -3.436 10.007 3.948 432 H VAL 81 H VAL 81 -2.066 10.082 -1.006 433 HA VAL 81 HA VAL 81 -4.798 9.075 -1.064 434 HB VAL 81 HB VAL 81 -3.397 11.374 -2.538 435 HG11 VAL 81 1HG1 VAL 81 -5.386 10.801 -3.845 436 HG12 VAL 81 2HG1 VAL 81 -6.387 10.791 -2.378 437 HG13 VAL 81 3HG1 VAL 81 -5.673 12.305 -2.980 438 HG21 VAL 81 3HG2 VAL 81 -5.363 11.503 -0.219 439 HG22 VAL 81 1HG2 VAL 81 -3.605 11.629 -0.047 440 HG23 VAL 81 2HG2 VAL 81 -4.470 12.856 -0.970 441 H GLU 82 H GLU 82 -2.110 9.150 -3.346 442 HA GLU 82 HA GLU 82 -3.286 7.979 -5.566 443 HB2 GLU 82 2HB GLU 82 -0.693 8.216 -4.127 444 HB3 GLU 82 3HB GLU 82 -0.801 6.831 -5.038 445 HG2 GLU 82 2HG GLU 82 -1.039 9.711 -5.907 446 HG3 GLU 82 3HG GLU 82 0.319 8.632 -6.225 447 H ALA 83 H ALA 83 -1.466 6.106 -3.021 448 HA ALA 83 HA ALA 83 -2.446 3.556 -3.721 449 HB1 ALA 83 1HB ALA 83 -1.699 2.848 -1.553 450 HB2 ALA 83 2HB ALA 83 -0.600 4.127 -2.116 451 HB3 ALA 83 3HB ALA 83 -1.831 4.503 -0.898 452 H LEU 84 H LEU 84 -4.086 5.817 -1.549 453 HA LEU 84 HA LEU 84 -6.201 3.971 -0.696 454 HG LEU 84 HG LEU 84 -4.764 6.867 1.026 455 HB2 LEU 84 2HB LEU 84 -6.109 7.018 -0.710 456 HB3 LEU 84 3HB LEU 84 -7.385 6.104 -0.033 457 HD11 LEU 84 1HD1 LEU 84 -7.333 5.931 2.319 458 HD12 LEU 84 2HD1 LEU 84 -5.967 6.746 3.117 459 HD13 LEU 84 3HD1 LEU 84 -6.907 7.609 1.896 460 HD21 LEU 84 3HD2 LEU 84 -4.167 4.565 0.837 461 HD22 LEU 84 1HD2 LEU 84 -4.596 4.888 2.531 462 HD23 LEU 84 2HD2 LEU 84 -5.758 4.050 1.417 463 H GLU 85 H GLU 85 -5.790 6.057 -3.518 464 HA GLU 85 HA GLU 85 -8.464 5.203 -4.406 465 HB2 GLU 85 2HB GLU 85 -6.419 7.134 -5.585 466 HB3 GLU 85 3HB GLU 85 -7.981 6.781 -6.340 467 HG2 GLU 85 2HG GLU 85 -9.182 7.735 -4.465 468 HG3 GLU 85 3HG GLU 85 -7.686 8.018 -3.577 469 H ARG 86 H ARG 86 -5.248 4.083 -4.741 470 HA ARG 86 HA ARG 86 -5.588 3.052 -7.535 471 HE ARG 86 HE ARG 86 -3.131 7.102 -8.843 472 HB2 ARG 86 2HB ARG 86 -3.338 4.157 -5.890 473 HB3 ARG 86 3HB ARG 86 -2.896 2.841 -6.725 474 HG2 ARG 86 2HG ARG 86 -2.388 4.715 -8.060 475 HG3 ARG 86 3HG ARG 86 -3.740 3.937 -8.907 476 HD2 ARG 86 2HD ARG 86 -5.387 5.400 -7.895 477 HD3 ARG 86 3HD ARG 86 -4.163 6.095 -6.818 478 HH11 ARG 86 1HH2 ARG 86 -6.594 6.877 -8.311 479 HH12 ARG 86 2HH2 ARG 86 -6.715 8.576 -7.940 480 HH21 ARG 86 1HH1 ARG 86 -3.470 9.284 -8.731 481 HH22 ARG 86 2HH1 ARG 86 -5.107 9.917 -8.607 482 H LEU 87 H LEU 87 -4.990 2.007 -4.248 483 HA LEU 87 HA LEU 87 -4.829 -0.792 -5.111 484 HG LEU 87 HG LEU 87 -2.725 -0.971 -5.383 485 HB2 LEU 87 2HB LEU 87 -3.241 0.884 -3.118 486 HB3 LEU 87 3HB LEU 87 -3.452 -0.826 -2.897 487 HD11 LEU 87 1HD1 LEU 87 -0.773 0.782 -5.676 488 HD12 LEU 87 2HD1 LEU 87 -2.397 0.828 -6.357 489 HD13 LEU 87 3HD1 LEU 87 -2.011 1.775 -4.877 490 HD21 LEU 87 3HD2 LEU 87 -0.518 -0.389 -3.415 491 HD22 LEU 87 1HD2 LEU 87 -1.403 -1.929 -3.507 492 HD23 LEU 87 2HD2 LEU 87 -0.459 -1.392 -4.903 493 H ASN 88 H ASN 88 -7.021 1.229 -3.758 494 HA ASN 88 HA ASN 88 -7.790 -0.304 -1.421 495 HB2 ASN 88 2HB ASN 88 -8.180 2.051 -1.543 496 HB3 ASN 88 3HB ASN 88 -9.196 1.868 -2.974 497 HD21 ASN 88 2HD2 ASN 88 -8.923 1.011 0.504 498 HD22 ASN 88 1HD2 ASN 88 -10.650 0.929 0.741 499 H ASN 89 H ASN 89 -7.880 -2.380 -2.084 500 HA ASN 89 HA ASN 89 -8.965 -4.313 -2.343 501 HB2 ASN 89 2HB ASN 89 -10.787 -3.249 -1.183 502 HB3 ASN 89 3HB ASN 89 -11.523 -2.780 -2.710 503 HD21 ASN 89 1HD2 ASN 89 -10.501 -5.474 -0.622 504 HD22 ASN 89 2HD2 ASN 89 -11.601 -6.662 -1.323 505 H ILE 90 H ILE 90 -7.365 -3.979 -4.008 506 HA ILE 90 HA ILE 90 -8.384 -4.134 -6.824 507 HB ILE 90 HB ILE 90 -6.098 -3.467 -7.502 508 HG12 ILE 90 2HG1 ILE 90 -5.235 -2.805 -4.723 509 HG13 ILE 90 3HG1 ILE 90 -5.054 -4.445 -5.222 510 HG21 ILE 90 1HG2 ILE 90 -6.256 -1.190 -6.955 511 HG22 ILE 90 2HG2 ILE 90 -7.887 -1.815 -7.136 512 HG23 ILE 90 3HG2 ILE 90 -7.247 -1.509 -5.511 513 HD11 ILE 90 3HD1 ILE 90 -3.929 -2.174 -6.834 514 HD12 ILE 90 1HD1 ILE 90 -3.045 -3.215 -5.677 515 HD13 ILE 90 2HD1 ILE 90 -3.754 -3.918 -7.142 516 H GLU 91 H GLU 91 -7.449 -5.750 -8.176 517 HA GLU 91 HA GLU 91 -6.573 -8.150 -6.732 518 HB2 GLU 91 2HB GLU 91 -8.187 -8.058 -8.740 519 HB3 GLU 91 3HB GLU 91 -6.693 -7.859 -9.652 520 HG2 GLU 91 2HG GLU 91 -5.852 -9.973 -8.588 521 HG3 GLU 91 3HG GLU 91 -7.470 -10.221 -7.933 522 H PHE 92 H PHE 92 -4.617 -8.165 -6.038 523 HA PHE 92 HA PHE 92 -2.226 -6.865 -7.062 524 HD1 PHE 92 HD2 PHE 92 0.022 -8.286 -7.115 525 HD2 PHE 92 HD1 PHE 92 -1.012 -8.158 -2.913 526 HE1 PHE 92 HE2 PHE 92 2.362 -8.556 -6.541 527 HE2 PHE 92 HE1 PHE 92 1.412 -8.322 -2.374 528 HZ PHE 92 HZ PHE 92 3.073 -8.495 -4.202 529 HB2 PHE 92 2HB PHE 92 -2.677 -7.459 -4.667 530 HB3 PHE 92 3HB PHE 92 -2.639 -9.111 -5.053 531 H ARG 93 H ARG 93 -2.385 -7.671 -9.265 532 HA ARG 93 HA ARG 93 -1.723 -8.861 -10.987 533 HE ARG 93 HE ARG 93 2.896 -7.501 -11.352 534 HB2 ARG 93 2HB ARG 93 0.105 -10.007 -8.876 535 HB3 ARG 93 3HB ARG 93 0.131 -10.724 -10.465 536 HG2 ARG 93 2HG ARG 93 0.786 -8.699 -11.536 537 HG3 ARG 93 3HG ARG 93 0.539 -7.751 -10.058 538 HD2 ARG 93 2HD ARG 93 2.331 -8.963 -8.920 539 HD3 ARG 93 3HD ARG 93 2.523 -10.058 -10.299 540 HH11 ARG 93 2HH2 ARG 93 4.571 -9.285 -8.770 541 HH12 ARG 93 1HH2 ARG 93 6.066 -8.420 -9.125 542 HH21 ARG 93 1HH1 ARG 93 4.979 -6.703 -11.791 543 HH22 ARG 93 2HH1 ARG 93 6.260 -7.071 -10.619 544 H GLY 94 H GLY 94 -3.279 -10.594 -8.548 545 HA2 GLY 94 2HA GLY 94 -4.723 -12.588 -9.819 546 HA3 GLY 94 3HA GLY 94 -3.154 -13.314 -9.448 547 H SER 95 H SER 95 -3.204 -11.311 -6.866 548 HA SER 95 HA SER 95 -5.005 -12.909 -5.118 549 HG SER 95 HG SER 95 -2.084 -13.263 -5.476 550 HB2 SER 95 2HB SER 95 -2.565 -11.192 -4.412 551 HB3 SER 95 3HB SER 95 -3.550 -12.143 -3.315 552 H VAL 96 H VAL 96 -5.370 -10.861 -3.217 553 HA VAL 96 HA VAL 96 -5.737 -8.337 -4.698 554 HB VAL 96 HB VAL 96 -7.820 -8.314 -5.066 555 HG11 VAL 96 1HG1 VAL 96 -8.244 -10.873 -3.618 556 HG12 VAL 96 2HG1 VAL 96 -9.444 -9.996 -4.611 557 HG13 VAL 96 3HG1 VAL 96 -7.966 -10.566 -5.369 558 HG21 VAL 96 3HG2 VAL 96 -9.560 -8.013 -3.443 559 HG22 VAL 96 1HG2 VAL 96 -8.434 -8.432 -2.134 560 HG23 VAL 96 2HG2 VAL 96 -8.185 -6.982 -3.138 561 H ILE 97 H ILE 97 -5.881 -6.446 -3.365 562 HA ILE 97 HA ILE 97 -5.407 -6.794 -0.472 563 HB ILE 97 HB ILE 97 -3.802 -4.849 -0.630 564 HG12 ILE 97 2HG1 ILE 97 -3.485 -5.853 -3.466 565 HG13 ILE 97 3HG1 ILE 97 -3.986 -4.249 -2.948 566 HG21 ILE 97 1HG2 ILE 97 -1.882 -6.215 -0.516 567 HG22 ILE 97 2HG2 ILE 97 -3.227 -7.096 0.184 568 HG23 ILE 97 3HG2 ILE 97 -2.684 -7.533 -1.449 569 HD11 ILE 97 3HD1 ILE 97 -1.732 -3.869 -1.982 570 HD12 ILE 97 1HD1 ILE 97 -1.212 -5.463 -2.594 571 HD13 ILE 97 2HD1 ILE 97 -1.699 -4.203 -3.726 572 H THR 98 H THR 98 -6.021 -5.151 0.764 573 HA THR 98 HA THR 98 -7.676 -2.952 -0.424 574 HB THR 98 HB THR 98 -7.966 -4.330 2.232 575 HG1 THR 98 1HG THR 98 -8.588 -5.784 0.715 576 HG21 THR 98 1HG2 THR 98 -10.201 -3.313 2.260 577 HG22 THR 98 2HG2 THR 98 -8.909 -2.093 2.287 578 HG23 THR 98 3HG2 THR 98 -9.797 -2.411 0.774 579 H VAL 99 H VAL 99 -7.268 -0.908 0.382 580 HA VAL 99 HA VAL 99 -5.149 -0.685 2.428 581 HB VAL 99 HB VAL 99 -3.772 0.741 1.206 582 HG11 VAL 99 1HG1 VAL 99 -3.620 -1.695 0.700 583 HG12 VAL 99 2HG1 VAL 99 -4.617 -1.447 -0.728 584 HG13 VAL 99 3HG1 VAL 99 -3.045 -0.649 -0.620 585 HG21 VAL 99 3HG2 VAL 99 -5.314 2.107 0.008 586 HG22 VAL 99 1HG2 VAL 99 -4.313 1.272 -1.182 587 HG23 VAL 99 2HG2 VAL 99 -5.966 0.695 -0.844 588 H GLU 100 H GLU 100 -4.970 1.093 3.572 589 HA GLU 100 HA GLU 100 -6.689 3.465 3.230 590 HB2 GLU 100 2HB GLU 100 -8.005 3.061 5.287 591 HB3 GLU 100 3HB GLU 100 -8.403 1.874 4.073 592 HG2 GLU 100 2HG GLU 100 -6.266 0.985 5.962 593 HG3 GLU 100 3HG GLU 100 -7.758 1.447 6.754 594 H ARG 101 H ARG 101 -6.466 4.990 4.946 595 HA ARG 101 HA ARG 101 -3.760 5.240 5.907 596 HE ARG 101 HE ARG 101 -9.273 8.132 6.013 597 HB2 ARG 101 2HB ARG 101 -4.509 7.322 6.783 598 HB3 ARG 101 3HB ARG 101 -5.089 7.111 5.156 599 HG2 ARG 101 2HG ARG 101 -7.312 6.262 6.382 600 HG3 ARG 101 3HG ARG 101 -6.638 7.173 7.741 601 HD2 ARG 101 2HD ARG 101 -6.486 9.186 6.240 602 HD3 ARG 101 3HD ARG 101 -7.163 8.238 4.931 603 HH11 ARG 101 1HH2 ARG 101 -7.106 10.295 7.803 604 HH12 ARG 101 2HH2 ARG 101 -8.454 11.005 8.653 605 HH21 ARG 101 2HH1 ARG 101 -10.880 9.113 7.147 606 HH22 ARG 101 1HH1 ARG 101 -10.507 10.366 8.296 607 H ASP 102 H ASP 102 -2.857 5.131 7.826 608 HA ASP 102 HA ASP 102 -4.324 3.770 10.038 609 HB2 ASP 102 2HB ASP 102 -3.031 2.124 9.281 610 HB3 ASP 102 3HB ASP 102 -1.854 3.168 8.522 611 H ASP 103 H ASP 103 -2.361 6.601 9.397 612 HA ASP 103 HA ASP 103 -2.611 7.262 12.298 613 HB2 ASP 103 2HB ASP 103 -0.426 8.209 12.389 614 HB3 ASP 103 3HB ASP 103 -0.314 6.523 11.904 615 H ASN 104 H ASN 104 -2.391 8.624 9.010 616 HA ASN 104 HA ASN 104 -4.165 10.838 9.891 617 HB2 ASN 104 2HB ASN 104 -1.767 11.667 9.869 618 HB3 ASN 104 3HB ASN 104 -1.691 11.272 8.154 619 HD21 ASN 104 1HD2 ASN 104 -4.752 12.330 8.167 620 HD22 ASN 104 2HD2 ASN 104 -4.478 14.071 8.070 Start of MODEL 4 1 HA PRO 25 HA PRO 25 11.034 15.468 6.674 2 HB2 PRO 25 2HB PRO 25 10.069 14.552 3.930 3 HB3 PRO 25 3HB PRO 25 11.480 15.597 4.320 4 HG2 PRO 25 2HG PRO 25 11.672 12.855 4.073 5 HG3 PRO 25 3HG PRO 25 12.682 13.780 5.218 6 HD2 PRO 25 2HD PRO 25 10.583 11.866 5.888 7 HD3 PRO 25 3HD PRO 25 11.696 12.739 6.954 8 H ALA 26 H ALA 26 9.013 16.256 4.060 9 HA ALA 26 HA ALA 26 7.477 18.274 5.322 10 HB1 ALA 26 1HB ALA 26 7.946 18.132 2.908 11 HB2 ALA 26 2HB ALA 26 6.979 16.646 2.787 12 HB3 ALA 26 3HB ALA 26 6.195 18.190 3.195 13 H LYS 27 H LYS 27 6.850 14.854 4.838 14 HA LYS 27 HA LYS 27 4.797 14.762 6.989 15 HB2 LYS 27 2HB LYS 27 4.307 14.373 4.115 16 HB3 LYS 27 3HB LYS 27 4.033 12.883 4.960 17 HG2 LYS 27 2HG LYS 27 2.751 15.546 5.705 18 HG3 LYS 27 3HG LYS 27 2.056 14.326 4.647 19 HD2 LYS 27 2HD LYS 27 2.404 12.686 6.680 20 HD3 LYS 27 3HD LYS 27 2.481 14.175 7.639 21 HE2 LYS 27 2HE LYS 27 0.220 13.207 5.838 22 HE3 LYS 27 3HE LYS 27 0.220 13.200 7.593 23 HZ1 LYS 27 3HZ LYS 27 0.326 15.671 5.916 24 HZ2 LYS 27 1HZ LYS 27 -1.002 15.110 6.658 25 HZ3 LYS 27 2HZ LYS 27 0.262 15.643 7.563 26 H ARG 28 H ARG 28 4.376 12.694 7.638 27 HA ARG 28 HA ARG 28 5.850 10.326 6.818 28 HE ARG 28 HE ARG 28 8.180 8.356 9.066 29 HB2 ARG 28 2HB ARG 28 6.013 11.534 9.634 30 HB3 ARG 28 3HB ARG 28 6.072 9.805 9.341 31 HG2 ARG 28 2HG ARG 28 8.041 10.282 7.714 32 HG3 ARG 28 3HG ARG 28 8.061 11.904 8.438 33 HD2 ARG 28 2HD ARG 28 9.644 10.598 9.646 34 HD3 ARG 28 3HD ARG 28 8.220 10.829 10.691 35 HH11 ARG 28 2HH2 ARG 28 9.222 9.506 12.221 36 HH12 ARG 28 1HH2 ARG 28 9.047 7.912 12.916 37 HH21 ARG 28 1HH1 ARG 28 7.961 6.518 9.929 38 HH22 ARG 28 2HH1 ARG 28 8.336 6.203 11.626 39 H TYR 29 H TYR 29 4.360 8.754 6.770 40 HA TYR 29 HA TYR 29 1.938 8.867 8.480 41 HD1 TYR 29 HD2 TYR 29 0.923 6.543 5.375 42 HD2 TYR 29 HD1 TYR 29 2.635 10.365 4.228 43 HE1 TYR 29 HE2 TYR 29 1.506 5.601 3.192 44 HE2 TYR 29 HE1 TYR 29 2.917 9.487 1.992 45 HH TYR 29 HH TYR 29 2.128 6.056 1.093 46 HB2 TYR 29 2HB TYR 29 0.419 8.685 6.619 47 HB3 TYR 29 3HB TYR 29 1.367 10.113 6.342 48 H ARG 30 H ARG 30 0.649 6.856 8.183 49 HA ARG 30 HA ARG 30 2.040 4.607 6.832 50 HE ARG 30 HE ARG 30 3.987 3.480 8.466 51 HB2 ARG 30 2HB ARG 30 2.568 4.514 9.259 52 HB3 ARG 30 3HB ARG 30 0.874 4.599 9.590 53 HG2 ARG 30 2HG ARG 30 1.626 2.336 9.918 54 HG3 ARG 30 3HG ARG 30 0.488 2.376 8.576 55 HD2 ARG 30 2HD ARG 30 2.477 0.927 8.214 56 HD3 ARG 30 3HD ARG 30 2.258 2.148 6.967 57 HH11 ARG 30 2HH1 ARG 30 4.260 0.153 7.493 58 HH12 ARG 30 1HH1 ARG 30 5.790 -0.078 8.310 59 HH21 ARG 30 2HH2 ARG 30 6.149 3.336 8.874 60 HH22 ARG 30 1HH2 ARG 30 6.919 1.781 8.752 61 H ILE 31 H ILE 31 0.729 3.667 5.460 62 HA ILE 31 HA ILE 31 -2.229 3.715 5.912 63 HB ILE 31 HB ILE 31 -2.589 3.227 3.551 64 HG12 ILE 31 2HG1 ILE 31 0.386 3.632 3.148 65 HG13 ILE 31 3HG1 ILE 31 -0.473 2.083 3.064 66 HG21 ILE 31 1HG2 ILE 31 -0.930 5.744 3.909 67 HG22 ILE 31 2HG2 ILE 31 -2.121 5.430 2.636 68 HG23 ILE 31 3HG2 ILE 31 -2.650 5.528 4.310 69 HD11 ILE 31 3HD1 ILE 31 -0.122 2.801 0.817 70 HD12 ILE 31 1HD1 ILE 31 -1.850 2.998 1.178 71 HD13 ILE 31 2HD1 ILE 31 -0.761 4.415 1.149 72 H THR 32 H THR 32 -3.284 1.815 5.253 73 HA THR 32 HA THR 32 -1.774 -0.733 5.639 74 HB THR 32 HB THR 32 -4.477 0.143 6.732 75 HG1 THR 32 1HG THR 32 -3.367 -0.063 8.689 76 HG21 THR 32 1HG2 THR 32 -2.983 -2.524 6.991 77 HG22 THR 32 2HG2 THR 32 -4.359 -2.037 8.006 78 HG23 THR 32 3HG2 THR 32 -4.587 -2.264 6.262 79 H MET 33 H MET 33 -2.487 -2.404 4.433 80 HA MET 33 HA MET 33 -4.624 -1.959 2.490 81 HB2 MET 33 2HB MET 33 -1.848 -2.992 1.697 82 HB3 MET 33 3HB MET 33 -3.170 -2.555 0.635 83 HG2 MET 33 2HG MET 33 -2.820 -0.161 1.829 84 HG3 MET 33 3HG MET 33 -1.233 -0.839 2.159 85 HE1 MET 33 3HE MET 33 -0.145 -2.153 -0.131 86 HE2 MET 33 1HE MET 33 -1.660 -2.414 -1.030 87 HE3 MET 33 2HE MET 33 -0.340 -1.467 -1.761 88 H LYS 34 H LYS 34 -5.959 -3.550 2.581 89 HA LYS 34 HA LYS 34 -5.144 -6.376 2.706 90 HB2 LYS 34 2HB LYS 34 -7.150 -6.394 4.689 91 HB3 LYS 34 3HB LYS 34 -5.631 -6.773 4.773 92 HG2 LYS 34 2HG LYS 34 -6.228 -5.235 6.569 93 HG3 LYS 34 3HG LYS 34 -5.395 -4.124 5.464 94 HD2 LYS 34 2HD LYS 34 -7.609 -3.545 4.447 95 HD3 LYS 34 3HD LYS 34 -8.405 -4.741 5.445 96 HE2 LYS 34 2HE LYS 34 -7.788 -3.565 7.503 97 HE3 LYS 34 3HE LYS 34 -6.875 -2.364 6.579 98 HZ1 LYS 34 3HZ LYS 34 -9.158 -1.647 7.191 99 HZ2 LYS 34 1HZ LYS 34 -8.864 -1.562 5.595 100 HZ3 LYS 34 2HZ LYS 34 -9.790 -2.789 6.202 101 H ASN 35 H ASN 35 -6.878 -7.828 2.657 102 HA ASN 35 HA ASN 35 -9.340 -6.972 3.300 103 HB2 ASN 35 2HB ASN 35 -9.779 -5.906 1.371 104 HB3 ASN 35 3HB ASN 35 -8.841 -6.945 0.354 105 HD21 ASN 35 1HD2 ASN 35 -9.889 -8.189 -1.032 106 HD22 ASN 35 2HD2 ASN 35 -11.599 -8.622 -0.920 107 H LEU 36 H LEU 36 -11.050 -8.844 3.164 108 HA LEU 36 HA LEU 36 -10.008 -10.827 4.668 109 HG LEU 36 HG LEU 36 -12.044 -13.205 4.068 110 HB2 LEU 36 2HB LEU 36 -12.367 -10.203 4.503 111 HB3 LEU 36 3HB LEU 36 -12.508 -11.026 2.953 112 HD11 LEU 36 1HD1 LEU 36 -10.708 -12.492 6.007 113 HD12 LEU 36 2HD1 LEU 36 -12.083 -11.557 6.639 114 HD13 LEU 36 3HD1 LEU 36 -12.159 -13.331 6.549 115 HD21 LEU 36 3HD2 LEU 36 -14.279 -11.586 5.360 116 HD22 LEU 36 1HD2 LEU 36 -14.356 -12.391 3.775 117 HD23 LEU 36 2HD2 LEU 36 -14.191 -13.359 5.246 118 HA PRO 37 HA PRO 37 -9.398 -14.105 1.216 119 HB2 PRO 37 2HB PRO 37 -8.895 -12.490 -1.252 120 HB3 PRO 37 3HB PRO 37 -9.838 -13.998 -1.056 121 HG2 PRO 37 2HG PRO 37 -11.073 -11.602 -1.430 122 HG3 PRO 37 3HG PRO 37 -11.737 -12.799 -0.267 123 HD2 PRO 37 2HD PRO 37 -9.903 -10.452 0.312 124 HD3 PRO 37 3HD PRO 37 -11.465 -10.858 1.084 125 H GLU 38 H GLU 38 -7.489 -11.290 1.803 126 HA GLU 38 HA GLU 38 -4.997 -12.649 0.912 127 HB2 GLU 38 2HB GLU 38 -5.854 -11.080 -0.834 128 HB3 GLU 38 3HB GLU 38 -5.779 -9.766 0.340 129 HG2 GLU 38 3HG GLU 38 -3.997 -9.717 -1.216 130 HG3 GLU 38 2HG GLU 38 -3.320 -9.905 0.415 131 H GLY 39 H GLY 39 -3.200 -12.284 1.907 132 HA2 GLY 39 2HA GLY 39 -3.108 -10.512 4.336 133 HA3 GLY 39 3HA GLY 39 -2.379 -12.119 4.248 134 H CYS 40 H CYS 40 -1.614 -11.513 1.362 135 HA CYS 40 HA CYS 40 0.263 -11.150 0.259 136 HG CYS 40 HG CYS 40 -0.384 -8.309 2.660 137 HB2 CYS 40 2HB CYS 40 0.834 -8.641 0.073 138 HB3 CYS 40 3HB CYS 40 -0.728 -9.226 -0.452 139 H SER 41 H SER 41 2.431 -9.956 0.061 140 HA SER 41 HA SER 41 4.093 -10.100 2.540 141 HG SER 41 HG SER 41 3.592 -12.403 -0.055 142 HB2 SER 41 2HB SER 41 5.247 -11.035 -0.051 143 HB3 SER 41 3HB SER 41 5.687 -11.485 1.597 144 H TRP 42 H TRP 42 6.130 -8.696 2.286 145 HA TRP 42 HA TRP 42 5.398 -6.316 0.982 146 HD1 TRP 42 HD1 TRP 42 9.975 -5.189 1.548 147 HE1 TRP 42 HE1 TRP 42 10.116 -2.953 0.305 148 HE3 TRP 42 HE3 TRP 42 4.970 -4.380 0.644 149 HZ2 TRP 42 HZ2 TRP 42 8.322 -1.206 -1.185 150 HZ3 TRP 42 HZ3 TRP 42 4.267 -2.500 -0.765 151 HH2 TRP 42 HH2 TRP 42 5.876 -0.869 -1.606 152 HB2 TRP 42 2HB TRP 42 7.034 -6.224 2.759 153 HB3 TRP 42 3HB TRP 42 8.209 -7.067 1.769 154 H GLN 43 H GLN 43 7.546 -8.888 -0.268 155 HA GLN 43 HA GLN 43 8.118 -7.533 -2.639 156 HB2 GLN 43 2HB GLN 43 8.700 -9.754 -3.570 157 HB3 GLN 43 3HB GLN 43 9.389 -9.517 -1.973 158 HG2 GLN 43 2HG GLN 43 6.759 -11.030 -2.299 159 HG3 GLN 43 3HG GLN 43 8.297 -11.797 -2.637 160 HE21 GLN 43 2HE2 GLN 43 7.784 -13.352 -0.946 161 HE22 GLN 43 1HE2 GLN 43 8.033 -12.885 0.722 162 H ASP 44 H ASP 44 5.167 -9.061 -1.863 163 HA ASP 44 HA ASP 44 4.190 -9.303 -4.618 164 HB2 ASP 44 2HB ASP 44 2.775 -9.340 -1.911 165 HB3 ASP 44 3HB ASP 44 2.117 -9.679 -3.476 166 H LEU 45 H LEU 45 3.801 -7.194 -1.778 167 HA LEU 45 HA LEU 45 2.059 -5.344 -3.143 168 HG LEU 45 HG LEU 45 1.189 -6.593 -0.794 169 HB2 LEU 45 2HB LEU 45 3.447 -5.573 -0.477 170 HB3 LEU 45 3HB LEU 45 2.796 -4.021 -0.965 171 HD11 LEU 45 1HD1 LEU 45 0.165 -5.334 1.155 172 HD12 LEU 45 2HD1 LEU 45 1.867 -5.764 1.374 173 HD13 LEU 45 3HD1 LEU 45 1.418 -4.091 0.944 174 HD21 LEU 45 3HD2 LEU 45 0.489 -3.758 -1.594 175 HD22 LEU 45 1HD2 LEU 45 0.068 -5.243 -2.426 176 HD23 LEU 45 2HD2 LEU 45 -0.751 -4.850 -0.915 177 H LYS 46 H LYS 46 5.561 -5.454 -2.726 178 HA LYS 46 HA LYS 46 6.292 -2.886 -3.794 179 HB2 LYS 46 2HB LYS 46 7.620 -5.278 -3.014 180 HB3 LYS 46 3HB LYS 46 7.936 -5.198 -4.722 181 HG2 LYS 46 2HG LYS 46 8.631 -3.124 -2.636 182 HG3 LYS 46 3HG LYS 46 9.724 -4.264 -3.383 183 HD2 LYS 46 2HD LYS 46 9.399 -3.158 -5.562 184 HD3 LYS 46 3HD LYS 46 8.299 -1.976 -4.787 185 HE2 LYS 46 2HE LYS 46 10.039 -1.119 -3.392 186 HE3 LYS 46 3HE LYS 46 11.144 -2.425 -3.828 187 HZ1 LYS 46 3HZ LYS 46 11.615 -0.318 -5.014 188 HZ2 LYS 46 1HZ LYS 46 11.275 -1.523 -6.065 189 HZ3 LYS 46 2HZ LYS 46 10.163 -0.351 -5.738 190 H ASP 47 H ASP 47 5.753 -6.047 -5.364 191 HA ASP 47 HA ASP 47 5.864 -5.163 -8.041 192 HB2 ASP 47 2HB ASP 47 5.730 -7.554 -7.306 193 HB3 ASP 47 3HB ASP 47 4.015 -7.344 -7.036 194 H LEU 48 H LEU 48 2.822 -5.614 -6.235 195 HA LEU 48 HA LEU 48 1.372 -4.390 -8.232 196 HG LEU 48 HG LEU 48 -0.950 -3.670 -7.756 197 HB2 LEU 48 2HB LEU 48 0.279 -5.656 -6.542 198 HB3 LEU 48 3HB LEU 48 0.661 -4.480 -5.284 199 HD11 LEU 48 1HD1 LEU 48 -3.023 -4.039 -6.437 200 HD12 LEU 48 2HD1 LEU 48 -2.152 -5.533 -6.782 201 HD13 LEU 48 3HD1 LEU 48 -2.073 -4.781 -5.150 202 HD21 LEU 48 3HD2 LEU 48 -0.828 -2.667 -4.918 203 HD22 LEU 48 1HD2 LEU 48 -0.325 -1.812 -6.427 204 HD23 LEU 48 2HD2 LEU 48 -2.009 -2.135 -6.142 205 H ALA 49 H ALA 49 2.961 -2.769 -5.441 206 HA ALA 49 HA ALA 49 1.849 -0.241 -5.872 207 HB1 ALA 49 1HB ALA 49 4.490 -1.224 -4.763 208 HB2 ALA 49 2HB ALA 49 3.994 0.489 -4.679 209 HB3 ALA 49 3HB ALA 49 2.990 -0.741 -3.881 210 H ARG 50 H ARG 50 4.681 -1.694 -7.543 211 HA ARG 50 HA ARG 50 5.249 0.826 -9.012 212 HE ARG 50 HE ARG 50 6.717 -3.762 -8.137 213 HB2 ARG 50 2HB ARG 50 5.934 -2.046 -9.668 214 HB3 ARG 50 3HB ARG 50 6.582 -0.645 -10.507 215 HG2 ARG 50 2HG ARG 50 8.182 -0.284 -9.014 216 HG3 ARG 50 3HG ARG 50 7.039 -0.173 -7.696 217 HD2 ARG 50 2HD ARG 50 9.019 -1.979 -7.935 218 HD3 ARG 50 3HD ARG 50 7.694 -2.038 -6.796 219 HH11 ARG 50 1HH1 ARG 50 9.561 -2.588 -9.810 220 HH12 ARG 50 2HH1 ARG 50 9.441 -3.789 -11.068 221 HH21 ARG 50 1HH2 ARG 50 6.611 -5.317 -9.892 222 HH22 ARG 50 2HH2 ARG 50 7.882 -5.265 -11.049 223 H GLU 51 H GLU 51 3.391 -2.101 -9.569 224 HA GLU 51 HA GLU 51 2.273 -1.447 -12.127 225 HB2 GLU 51 2HB GLU 51 0.635 -2.712 -9.913 226 HB3 GLU 51 3HB GLU 51 0.228 -2.602 -11.533 227 HG2 GLU 51 2HG GLU 51 2.671 -3.939 -10.344 228 HG3 GLU 51 3HG GLU 51 1.289 -4.823 -10.743 229 H ASN 52 H ASN 52 1.565 -0.102 -9.092 230 HA ASN 52 HA ASN 52 -0.705 1.507 -10.120 231 HB2 ASN 52 2HB ASN 52 0.174 0.150 -7.566 232 HB3 ASN 52 3HB ASN 52 -0.827 1.487 -7.430 233 HD21 ASN 52 2HD2 ASN 52 -0.574 -1.711 -8.767 234 HD22 ASN 52 1HD2 ASN 52 -2.309 -1.952 -8.996 235 H SER 53 H SER 53 2.536 2.028 -9.436 236 HA SER 53 HA SER 53 3.826 3.873 -9.385 237 HG SER 53 HG SER 53 2.088 3.854 -11.666 238 HB2 SER 53 2HB SER 53 1.353 5.471 -10.133 239 HB3 SER 53 3HB SER 53 3.020 6.069 -10.131 240 H LEU 54 H LEU 54 2.530 2.802 -7.074 241 HA LEU 54 HA LEU 54 2.221 4.991 -5.101 242 HG LEU 54 HG LEU 54 0.398 1.921 -4.615 243 HB2 LEU 54 2HB LEU 54 2.527 1.978 -5.020 244 HB3 LEU 54 3HB LEU 54 2.906 2.884 -3.577 245 HD11 LEU 54 1HD1 LEU 54 -0.266 2.181 -2.267 246 HD12 LEU 54 2HD1 LEU 54 1.359 1.503 -2.351 247 HD13 LEU 54 3HD1 LEU 54 1.142 3.210 -1.947 248 HD21 LEU 54 3HD2 LEU 54 0.020 4.228 -5.412 249 HD22 LEU 54 1HD2 LEU 54 -1.055 3.750 -4.116 250 HD23 LEU 54 2HD2 LEU 54 0.310 4.833 -3.749 251 H GLU 55 H GLU 55 4.631 2.396 -5.575 252 HA GLU 55 HA GLU 55 6.481 2.104 -4.305 253 HB2 GLU 55 2HB GLU 55 7.197 2.444 -6.548 254 HB3 GLU 55 3HB GLU 55 7.335 4.200 -6.308 255 HG2 GLU 55 2HG GLU 55 9.158 4.059 -5.063 256 HG3 GLU 55 3HG GLU 55 8.686 2.658 -4.163 257 H THR 56 H THR 56 5.345 2.933 -2.375 258 HA THR 56 HA THR 56 6.337 5.432 -1.254 259 HB THR 56 HB THR 56 5.129 5.098 0.553 260 HG1 THR 56 1HG THR 56 5.819 3.589 1.692 261 HG21 THR 56 1HG2 THR 56 3.035 4.045 0.232 262 HG22 THR 56 2HG2 THR 56 3.547 4.567 -1.368 263 HG23 THR 56 3HG2 THR 56 3.697 2.876 -0.932 264 H THR 57 H THR 57 7.706 5.082 1.001 265 HA THR 57 HA THR 57 10.311 4.315 0.113 266 HB THR 57 HB THR 57 9.400 4.509 3.009 267 HG1 THR 57 1HG THR 57 10.185 6.655 1.313 268 HG21 THR 57 1HG2 THR 57 11.621 5.559 3.342 269 HG22 THR 57 2HG2 THR 57 11.722 3.879 2.791 270 HG23 THR 57 3HG2 THR 57 12.025 5.210 1.641 271 H PHE 58 H PHE 58 7.886 2.759 2.178 272 HA PHE 58 HA PHE 58 9.047 0.113 2.010 273 HD1 PHE 58 HD2 PHE 58 9.094 3.274 5.238 274 HD2 PHE 58 HD1 PHE 58 9.369 -1.008 5.697 275 HE1 PHE 58 HE2 PHE 58 8.732 3.509 7.679 276 HE2 PHE 58 HE1 PHE 58 8.979 -0.774 8.139 277 HZ PHE 58 HZ PHE 58 8.788 1.490 9.150 278 HB2 PHE 58 2HB PHE 58 10.329 0.109 3.796 279 HB3 PHE 58 3HB PHE 58 10.412 1.812 3.675 280 H SER 59 H SER 59 7.919 -1.439 3.387 281 HA SER 59 HA SER 59 5.386 -0.495 4.603 282 HG SER 59 HG SER 59 3.395 -3.003 3.062 283 HB2 SER 59 2HB SER 59 4.705 -1.278 2.452 284 HB3 SER 59 3HB SER 59 5.613 -2.756 2.626 285 H SER 60 H SER 60 4.567 -1.849 6.140 286 HA SER 60 HA SER 60 6.346 -3.909 7.408 287 HG SER 60 HG SER 60 6.809 -2.503 9.417 288 HB2 SER 60 2HB SER 60 4.132 -2.143 8.486 289 HB3 SER 60 3HB SER 60 4.812 -3.523 9.382 290 H VAL 61 H VAL 61 5.774 -5.795 6.513 291 HA VAL 61 HA VAL 61 2.901 -6.469 6.154 292 HB VAL 61 HB VAL 61 5.110 -7.519 4.345 293 HG11 VAL 61 1HG1 VAL 61 2.119 -7.115 3.880 294 HG12 VAL 61 2HG1 VAL 61 3.236 -7.673 2.682 295 HG13 VAL 61 3HG1 VAL 61 2.931 -8.684 4.082 296 HG21 VAL 61 3HG2 VAL 61 3.503 -4.986 3.994 297 HG22 VAL 61 1HG2 VAL 61 5.275 -5.120 4.044 298 HG23 VAL 61 2HG2 VAL 61 4.362 -5.764 2.680 299 H ASN 62 H ASN 62 2.613 -8.916 5.907 300 HA ASN 62 HA ASN 62 2.778 -11.069 6.523 301 HB2 ASN 62 2HB ASN 62 5.718 -10.420 7.020 302 HB3 ASN 62 3HB ASN 62 5.038 -12.026 7.030 303 HD21 ASN 62 1HD2 ASN 62 6.729 -9.941 5.079 304 HD22 ASN 62 2HD2 ASN 62 6.355 -10.775 3.578 305 H THR 63 H THR 63 3.539 -8.766 9.039 306 HA THR 63 HA THR 63 2.712 -10.745 11.107 307 HB THR 63 HB THR 63 5.114 -11.047 10.648 308 HG1 THR 63 1HG THR 63 4.495 -10.022 13.186 309 HG21 THR 63 1HG2 THR 63 5.878 -8.834 10.072 310 HG22 THR 63 2HG2 THR 63 5.474 -8.209 11.683 311 HG23 THR 63 3HG2 THR 63 6.765 -9.414 11.484 312 H ARG 64 H ARG 64 1.554 -8.058 10.224 313 HA ARG 64 HA ARG 64 1.754 -6.601 12.856 314 HE ARG 64 HE ARG 64 -1.422 -4.303 9.633 315 HB2 ARG 64 2HB ARG 64 1.411 -4.536 11.661 316 HB3 ARG 64 3HB ARG 64 2.800 -5.380 11.003 317 HG2 ARG 64 2HG ARG 64 1.844 -5.680 8.953 318 HG3 ARG 64 3HG ARG 64 0.242 -5.986 9.602 319 HD2 ARG 64 2HD ARG 64 1.386 -3.195 9.610 320 HD3 ARG 64 3HD ARG 64 0.613 -3.889 8.184 321 HH11 ARG 64 1HH2 ARG 64 0.589 -1.480 10.249 322 HH12 ARG 64 2HH2 ARG 64 -0.797 -0.533 10.760 323 HH21 ARG 64 2HH1 ARG 64 -3.043 -3.094 10.419 324 HH22 ARG 64 1HH1 ARG 64 -2.786 -1.354 10.681 325 H ASP 65 H ASP 65 -0.508 -8.514 11.404 326 HA ASP 65 HA ASP 65 -2.795 -7.036 12.595 327 HB2 ASP 65 2HB ASP 65 -1.971 -6.437 10.025 328 HB3 ASP 65 3HB ASP 65 -3.081 -7.744 9.740 329 H PHE 66 H PHE 66 -4.854 -8.265 11.190 330 HA PHE 66 HA PHE 66 -5.526 -10.496 12.596 331 HD1 PHE 66 HD1 PHE 66 -5.010 -8.848 8.923 332 HD2 PHE 66 HD2 PHE 66 -8.290 -11.608 9.342 333 HE1 PHE 66 HE1 PHE 66 -4.847 -9.413 6.509 334 HE2 PHE 66 HE2 PHE 66 -8.225 -12.050 6.904 335 HZ PHE 66 HZ PHE 66 -6.488 -10.970 5.478 336 HB2 PHE 66 2HB PHE 66 -7.387 -10.643 11.261 337 HB3 PHE 66 3HB PHE 66 -6.915 -8.973 11.047 338 H ASP 67 H ASP 67 -3.653 -10.621 9.613 339 HA ASP 67 HA ASP 67 -2.646 -13.233 10.381 340 HB2 ASP 67 2HB ASP 67 -3.277 -14.559 8.708 341 HB3 ASP 67 3HB ASP 67 -4.710 -13.548 8.715 342 H GLY 68 H GLY 68 -2.605 -10.662 7.903 343 HA2 GLY 68 2HA GLY 68 0.157 -10.030 8.638 344 HA3 GLY 68 3HA GLY 68 -0.075 -10.594 6.962 345 H THR 69 H THR 69 -1.693 -9.276 5.669 346 HA THR 69 HA THR 69 -2.337 -7.296 4.697 347 HB THR 69 HB THR 69 -3.000 -5.379 5.787 348 HG1 THR 69 1HG THR 69 -1.373 -6.259 7.900 349 HG21 THR 69 1HG2 THR 69 -4.367 -6.067 7.723 350 HG22 THR 69 2HG2 THR 69 -4.480 -7.221 6.378 351 HG23 THR 69 3HG2 THR 69 -3.509 -7.623 7.752 352 H GLY 70 H GLY 70 -1.314 -5.102 4.093 353 HA2 GLY 70 2HA GLY 70 1.560 -4.934 4.967 354 HA3 GLY 70 3HA GLY 70 1.136 -4.677 3.277 355 H ALA 71 H ALA 71 2.188 -2.991 5.629 356 HA ALA 71 HA ALA 71 0.297 -0.738 5.221 357 HB1 ALA 71 1HB ALA 71 1.683 -1.548 7.812 358 HB2 ALA 71 2HB ALA 71 0.602 -0.150 7.593 359 HB3 ALA 71 3HB ALA 71 -0.044 -1.777 7.413 360 H LEU 72 H LEU 72 1.176 0.782 4.128 361 HA LEU 72 HA LEU 72 4.077 0.815 3.524 362 HG LEU 72 HG LEU 72 2.220 1.027 0.270 363 HB2 LEU 72 2HB LEU 72 1.661 2.054 2.332 364 HB3 LEU 72 3HB LEU 72 3.202 2.537 1.879 365 HD11 LEU 72 1HD1 LEU 72 4.399 0.967 -0.158 366 HD12 LEU 72 2HD1 LEU 72 4.868 0.597 1.481 367 HD13 LEU 72 3HD1 LEU 72 4.246 -0.671 0.421 368 HD21 LEU 72 3HD2 LEU 72 1.994 -1.342 0.622 369 HD22 LEU 72 1HD2 LEU 72 2.408 -1.151 2.333 370 HD23 LEU 72 2HD2 LEU 72 0.930 -0.424 1.703 371 H GLU 73 H GLU 73 5.235 2.727 3.644 372 HA GLU 73 HA GLU 73 4.052 5.175 5.019 373 HB2 GLU 73 2HB GLU 73 5.214 4.147 6.683 374 HB3 GLU 73 3HB GLU 73 6.611 3.743 5.678 375 HG2 GLU 73 2HG GLU 73 7.423 5.945 5.661 376 HG3 GLU 73 3HG GLU 73 5.877 6.649 6.101 377 H PHE 74 H PHE 74 4.732 7.210 4.121 378 HA PHE 74 HA PHE 74 7.146 7.294 2.453 379 HD1 PHE 74 HD2 PHE 74 7.462 6.657 0.160 380 HD2 PHE 74 HD1 PHE 74 5.570 10.468 -0.003 381 HE1 PHE 74 HE2 PHE 74 9.131 7.380 -1.530 382 HE2 PHE 74 HE1 PHE 74 7.277 11.269 -1.598 383 HZ PHE 74 HZ PHE 74 9.061 9.720 -2.385 384 HB2 PHE 74 2HB PHE 74 4.785 7.254 1.018 385 HB3 PHE 74 3HB PHE 74 4.807 8.903 1.484 386 HA PRO 75 HA PRO 75 7.589 11.275 4.514 387 HB2 PRO 75 2HB PRO 75 9.320 12.606 2.790 388 HB3 PRO 75 3HB PRO 75 9.779 11.340 3.970 389 HG2 PRO 75 2HG PRO 75 9.132 10.982 1.036 390 HG3 PRO 75 3HG PRO 75 10.578 10.402 1.929 391 HD2 PRO 75 2HD PRO 75 8.558 8.740 1.550 392 HD3 PRO 75 3HD PRO 75 9.279 8.826 3.161 393 H SER 76 H SER 76 5.690 11.047 1.690 394 HA SER 76 HA SER 76 4.678 13.821 2.153 395 HG SER 76 HG SER 76 6.157 14.610 -0.858 396 HB2 SER 76 2HB SER 76 5.023 12.493 -0.512 397 HB3 SER 76 3HB SER 76 4.212 14.032 -0.221 398 H GLU 77 H GLU 77 2.554 13.772 2.592 399 HA GLU 77 HA GLU 77 0.921 11.514 2.390 400 HB2 GLU 77 2HB GLU 77 -0.998 13.012 2.734 401 HB3 GLU 77 3HB GLU 77 0.331 13.294 3.833 402 HG2 GLU 77 2HG GLU 77 1.015 15.203 2.138 403 HG3 GLU 77 3HG GLU 77 -0.635 15.015 1.534 404 H GLU 78 H GLU 78 1.873 13.521 -0.199 405 HA GLU 78 HA GLU 78 -0.043 13.232 -2.195 406 HB2 GLU 78 2HB GLU 78 2.968 12.725 -2.363 407 HB3 GLU 78 3HB GLU 78 1.913 13.043 -3.737 408 HG2 GLU 78 2HG GLU 78 1.467 15.312 -2.932 409 HG3 GLU 78 3HG GLU 78 2.385 15.011 -1.456 410 H ILE 79 H ILE 79 2.404 10.732 -1.267 411 HA ILE 79 HA ILE 79 1.337 8.808 -3.152 412 HB ILE 79 HB ILE 79 3.316 8.258 -0.918 413 HG12 ILE 79 2HG1 ILE 79 3.632 9.783 -3.449 414 HG13 ILE 79 3HG1 ILE 79 4.421 9.979 -1.955 415 HG21 ILE 79 1HG2 ILE 79 2.858 6.932 -3.621 416 HG22 ILE 79 2HG2 ILE 79 4.072 6.452 -2.421 417 HG23 ILE 79 3HG2 ILE 79 2.352 6.271 -2.060 418 HD11 ILE 79 3HD1 ILE 79 6.058 9.310 -3.612 419 HD12 ILE 79 1HD1 ILE 79 5.840 7.885 -2.569 420 HD13 ILE 79 2HD1 ILE 79 5.071 7.962 -4.164 421 H LEU 80 H LEU 80 0.767 9.490 0.227 422 HA LEU 80 HA LEU 80 -0.610 7.110 0.952 423 HG LEU 80 HG LEU 80 -2.601 9.968 2.274 424 HB2 LEU 80 2HB LEU 80 -0.132 8.238 2.814 425 HB3 LEU 80 3HB LEU 80 -0.115 9.772 2.052 426 HD11 LEU 80 1HD1 LEU 80 -3.076 7.497 2.695 427 HD12 LEU 80 2HD1 LEU 80 -2.335 7.734 4.304 428 HD13 LEU 80 3HD1 LEU 80 -3.802 8.622 3.859 429 HD21 LEU 80 3HD2 LEU 80 -1.026 11.002 3.877 430 HD22 LEU 80 1HD2 LEU 80 -2.537 10.480 4.649 431 HD23 LEU 80 2HD2 LEU 80 -1.059 9.515 4.847 432 H VAL 81 H VAL 81 -1.711 10.259 -0.348 433 HA VAL 81 HA VAL 81 -4.556 9.591 -0.303 434 HB VAL 81 HB VAL 81 -2.990 11.863 -1.642 435 HG11 VAL 81 1HG1 VAL 81 -5.100 11.618 -2.863 436 HG12 VAL 81 2HG1 VAL 81 -6.011 11.565 -1.333 437 HG13 VAL 81 3HG1 VAL 81 -5.177 13.051 -1.843 438 HG21 VAL 81 3HG2 VAL 81 -3.866 13.280 0.127 439 HG22 VAL 81 1HG2 VAL 81 -4.769 11.906 0.822 440 HG23 VAL 81 2HG2 VAL 81 -2.996 11.925 0.844 441 H GLU 82 H GLU 82 -1.977 9.573 -2.746 442 HA GLU 82 HA GLU 82 -3.424 8.769 -4.958 443 HB2 GLU 82 2HB GLU 82 -0.736 8.494 -3.668 444 HB3 GLU 82 3HB GLU 82 -1.111 7.279 -4.739 445 HG2 GLU 82 2HG GLU 82 -0.671 10.202 -5.171 446 HG3 GLU 82 3HG GLU 82 0.137 8.840 -5.930 447 H ALA 83 H ALA 83 -1.751 6.501 -2.623 448 HA ALA 83 HA ALA 83 -3.019 4.136 -3.486 449 HB1 ALA 83 1HB ALA 83 -2.360 4.794 -0.598 450 HB2 ALA 83 2HB ALA 83 -2.389 3.194 -1.386 451 HB3 ALA 83 3HB ALA 83 -1.143 4.388 -1.818 452 H LEU 84 H LEU 84 -4.342 6.392 -1.140 453 HA LEU 84 HA LEU 84 -6.688 4.826 -0.364 454 HG LEU 84 HG LEU 84 -4.958 7.661 1.437 455 HB2 LEU 84 2HB LEU 84 -6.265 7.846 -0.296 456 HB3 LEU 84 3HB LEU 84 -7.585 7.026 0.422 457 HD11 LEU 84 1HD1 LEU 84 -6.038 7.331 3.580 458 HD12 LEU 84 2HD1 LEU 84 -7.071 8.248 2.472 459 HD13 LEU 84 3HD1 LEU 84 -7.420 6.529 2.776 460 HD21 LEU 84 3HD2 LEU 84 -4.286 5.392 1.079 461 HD22 LEU 84 1HD2 LEU 84 -4.650 5.588 2.799 462 HD23 LEU 84 2HD2 LEU 84 -5.831 4.779 1.680 463 H GLU 85 H GLU 85 -6.020 6.963 -3.078 464 HA GLU 85 HA GLU 85 -8.757 6.421 -4.004 465 HB2 GLU 85 2HB GLU 85 -6.582 8.238 -5.122 466 HB3 GLU 85 3HB GLU 85 -8.214 8.092 -5.795 467 HG2 GLU 85 2HG GLU 85 -9.197 9.081 -3.826 468 HG3 GLU 85 3HG GLU 85 -7.630 9.156 -3.020 469 H ARG 86 H ARG 86 -5.696 4.925 -4.433 470 HA ARG 86 HA ARG 86 -6.133 4.269 -7.325 471 HE ARG 86 HE ARG 86 -3.549 8.292 -8.199 472 HB2 ARG 86 2HB ARG 86 -3.787 4.994 -5.609 473 HB3 ARG 86 3HB ARG 86 -3.457 3.745 -6.582 474 HG2 ARG 86 2HG ARG 86 -2.812 5.851 -7.618 475 HG3 ARG 86 3HG ARG 86 -4.071 5.118 -8.637 476 HD2 ARG 86 2HD ARG 86 -5.826 6.447 -7.678 477 HD3 ARG 86 3HD ARG 86 -4.750 7.026 -6.400 478 HH11 ARG 86 1HH2 ARG 86 -7.059 7.967 -8.087 479 HH12 ARG 86 2HH2 ARG 86 -7.222 9.590 -7.431 480 HH21 ARG 86 2HH1 ARG 86 -3.975 10.406 -7.551 481 HH22 ARG 86 1HH1 ARG 86 -5.646 10.908 -7.345 482 H LEU 87 H LEU 87 -5.557 2.844 -4.156 483 HA LEU 87 HA LEU 87 -5.778 0.149 -5.310 484 HG LEU 87 HG LEU 87 -3.428 -0.315 -5.370 485 HB2 LEU 87 2HB LEU 87 -4.162 1.285 -2.996 486 HB3 LEU 87 3HB LEU 87 -4.534 -0.377 -3.157 487 HD11 LEU 87 1HD1 LEU 87 -3.013 2.477 -4.768 488 HD12 LEU 87 2HD1 LEU 87 -1.677 1.602 -5.520 489 HD13 LEU 87 3HD1 LEU 87 -3.271 1.565 -6.295 490 HD21 LEU 87 3HD2 LEU 87 -2.238 -1.154 -3.381 491 HD22 LEU 87 1HD2 LEU 87 -1.109 -0.297 -4.442 492 HD23 LEU 87 2HD2 LEU 87 -1.736 0.506 -2.985 493 H ASN 88 H ASN 88 -7.695 2.358 -3.739 494 HA ASN 88 HA ASN 88 -8.534 0.682 -1.564 495 HB2 ASN 88 2HB ASN 88 -8.642 3.142 -1.442 496 HB3 ASN 88 3HB ASN 88 -9.960 3.127 -2.630 497 HD21 ASN 88 2HD2 ASN 88 -11.505 3.921 -1.128 498 HD22 ASN 88 1HD2 ASN 88 -11.900 3.032 0.334 499 H ASN 89 H ASN 89 -9.084 -1.261 -2.308 500 HA ASN 89 HA ASN 89 -10.481 -2.931 -2.716 501 HB2 ASN 89 2HB ASN 89 -12.177 -1.474 -1.629 502 HB3 ASN 89 3HB ASN 89 -12.786 -1.063 -3.229 503 HD21 ASN 89 1HD2 ASN 89 -12.086 -3.709 -0.920 504 HD22 ASN 89 2HD2 ASN 89 -13.259 -4.833 -1.593 505 H ILE 90 H ILE 90 -8.698 -2.730 -4.281 506 HA ILE 90 HA ILE 90 -9.639 -2.780 -7.134 507 HB ILE 90 HB ILE 90 -7.310 -2.323 -7.804 508 HG12 ILE 90 2HG1 ILE 90 -6.390 -1.897 -4.989 509 HG13 ILE 90 3HG1 ILE 90 -6.286 -3.482 -5.692 510 HG21 ILE 90 1HG2 ILE 90 -7.235 -0.046 -7.216 511 HG22 ILE 90 2HG2 ILE 90 -8.922 -0.512 -7.384 512 HG23 ILE 90 3HG2 ILE 90 -8.237 -0.296 -5.758 513 HD11 ILE 90 3HD1 ILE 90 -4.948 -2.808 -7.515 514 HD12 ILE 90 1HD1 ILE 90 -5.049 -1.091 -7.039 515 HD13 ILE 90 2HD1 ILE 90 -4.241 -2.278 -5.982 516 H GLU 91 H GLU 91 -8.848 -4.524 -8.449 517 HA GLU 91 HA GLU 91 -8.245 -6.955 -6.890 518 HB2 GLU 91 2HB GLU 91 -10.089 -6.881 -8.577 519 HB3 GLU 91 3HB GLU 91 -8.799 -6.804 -9.775 520 HG2 GLU 91 2HG GLU 91 -7.864 -8.940 -8.785 521 HG3 GLU 91 3HG GLU 91 -9.323 -9.030 -7.808 522 H PHE 92 H PHE 92 -6.381 -7.180 -6.355 523 HA PHE 92 HA PHE 92 -3.891 -6.410 -7.583 524 HD1 PHE 92 HD1 PHE 92 -1.748 -8.064 -7.032 525 HD2 PHE 92 HD2 PHE 92 -3.292 -7.152 -3.100 526 HE1 PHE 92 HE1 PHE 92 0.523 -8.220 -6.093 527 HE2 PHE 92 HE2 PHE 92 -1.006 -7.338 -2.172 528 HZ PHE 92 HZ PHE 92 0.907 -7.747 -3.707 529 HB2 PHE 92 2HB PHE 92 -4.543 -6.498 -5.152 530 HB3 PHE 92 3HB PHE 92 -4.703 -8.139 -5.209 531 H ARG 93 H ARG 93 -4.354 -7.555 -9.634 532 HA ARG 93 HA ARG 93 -4.004 -9.145 -11.202 533 HE ARG 93 HE ARG 93 1.977 -8.679 -10.029 534 HB2 ARG 93 2HB ARG 93 -2.136 -10.438 -9.177 535 HB3 ARG 93 3HB ARG 93 -2.167 -10.718 -10.913 536 HG2 ARG 93 2HG ARG 93 -1.576 -8.267 -11.239 537 HG3 ARG 93 3HG ARG 93 -1.273 -8.189 -9.488 538 HD2 ARG 93 2HD ARG 93 0.271 -10.159 -9.705 539 HD3 ARG 93 3HD ARG 93 0.036 -10.137 -11.455 540 HH11 ARG 93 2HH1 ARG 93 -0.315 -7.737 -12.577 541 HH12 ARG 93 1HH1 ARG 93 0.868 -6.562 -13.156 542 HH21 ARG 93 2HH2 ARG 93 3.325 -7.396 -11.019 543 HH22 ARG 93 1HH2 ARG 93 2.802 -6.484 -12.449 544 H GLY 94 H GLY 94 -5.559 -10.159 -8.446 545 HA2 GLY 94 2HA GLY 94 -7.133 -12.263 -9.343 546 HA3 GLY 94 3HA GLY 94 -5.616 -13.015 -8.827 547 H SER 95 H SER 95 -5.399 -10.671 -6.644 548 HA SER 95 HA SER 95 -7.375 -11.742 -4.689 549 HG SER 95 HG SER 95 -4.178 -12.191 -3.202 550 HB2 SER 95 2HB SER 95 -4.676 -10.330 -4.389 551 HB3 SER 95 3HB SER 95 -5.821 -10.590 -3.067 552 H VAL 96 H VAL 96 -7.761 -9.612 -3.239 553 HA VAL 96 HA VAL 96 -7.661 -7.150 -4.811 554 HB VAL 96 HB VAL 96 -9.725 -7.062 -5.482 555 HG11 VAL 96 1HG1 VAL 96 -10.130 -9.330 -5.354 556 HG12 VAL 96 2HG1 VAL 96 -10.561 -9.228 -3.609 557 HG13 VAL 96 3HG1 VAL 96 -11.578 -8.453 -4.867 558 HG21 VAL 96 3HG2 VAL 96 -11.486 -6.222 -4.127 559 HG22 VAL 96 1HG2 VAL 96 -10.636 -6.676 -2.638 560 HG23 VAL 96 2HG2 VAL 96 -9.980 -5.420 -3.707 561 H ILE 97 H ILE 97 -7.547 -5.321 -3.470 562 HA ILE 97 HA ILE 97 -7.371 -5.727 -0.516 563 HB ILE 97 HB ILE 97 -5.527 -3.933 -0.641 564 HG12 ILE 97 2HG1 ILE 97 -5.128 -5.148 -3.400 565 HG13 ILE 97 3HG1 ILE 97 -5.774 -3.532 -3.116 566 HG21 ILE 97 1HG2 ILE 97 -5.230 -6.220 0.200 567 HG22 ILE 97 2HG2 ILE 97 -4.865 -6.785 -1.433 568 HG23 ILE 97 3HG2 ILE 97 -3.791 -5.616 -0.608 569 HD11 ILE 97 3HD1 ILE 97 -3.665 -2.886 -1.973 570 HD12 ILE 97 1HD1 ILE 97 -2.971 -4.473 -2.410 571 HD13 ILE 97 2HD1 ILE 97 -3.451 -3.334 -3.678 572 H THR 98 H THR 98 -8.043 -4.111 0.714 573 HA THR 98 HA THR 98 -9.240 -1.611 -0.427 574 HB THR 98 HB THR 98 -9.643 -2.928 2.246 575 HG1 THR 98 1HG THR 98 -11.610 -3.643 1.457 576 HG21 THR 98 1HG2 THR 98 -10.162 -0.499 2.259 577 HG22 THR 98 2HG2 THR 98 -11.334 -0.781 0.944 578 HG23 THR 98 3HG2 THR 98 -11.582 -1.509 2.538 579 H VAL 99 H VAL 99 -8.490 0.364 0.629 580 HA VAL 99 HA VAL 99 -6.168 0.003 2.427 581 HB VAL 99 HB VAL 99 -4.581 1.154 1.164 582 HG11 VAL 99 1HG1 VAL 99 -4.928 -1.236 0.528 583 HG12 VAL 99 2HG1 VAL 99 -5.935 -0.723 -0.815 584 HG13 VAL 99 3HG1 VAL 99 -4.230 -0.255 -0.767 585 HG21 VAL 99 3HG2 VAL 99 -5.869 2.868 0.119 586 HG22 VAL 99 1HG2 VAL 99 -5.069 1.939 -1.138 587 HG23 VAL 99 2HG2 VAL 99 -6.798 1.668 -0.800 588 H GLU 100 H GLU 100 -5.476 1.709 3.538 589 HA GLU 100 HA GLU 100 -6.888 4.315 3.545 590 HB2 GLU 100 2HB GLU 100 -7.972 3.871 5.725 591 HB3 GLU 100 3HB GLU 100 -8.684 2.860 4.485 592 HG2 GLU 100 2HG GLU 100 -6.600 1.950 6.537 593 HG3 GLU 100 3HG GLU 100 -8.329 1.872 6.791 594 H ARG 101 H ARG 101 -6.292 5.663 5.262 595 HA ARG 101 HA ARG 101 -3.592 5.482 6.266 596 HE ARG 101 HE ARG 101 -5.762 9.823 9.148 597 HB2 ARG 101 2HB ARG 101 -4.253 7.367 7.612 598 HB3 ARG 101 3HB ARG 101 -4.813 7.588 5.961 599 HG2 ARG 101 2HG ARG 101 -7.098 6.838 6.676 600 HG3 ARG 101 3HG ARG 101 -6.518 6.711 8.335 601 HD2 ARG 101 2HD ARG 101 -6.102 9.335 6.928 602 HD3 ARG 101 3HD ARG 101 -7.758 8.902 7.273 603 HH11 ARG 101 1HH2 ARG 101 -8.575 7.645 9.200 604 HH12 ARG 101 2HH2 ARG 101 -8.554 7.676 10.957 605 HH21 ARG 101 2HH1 ARG 101 -6.017 9.872 11.270 606 HH22 ARG 101 1HH1 ARG 101 -7.240 8.840 12.049 607 H ASP 102 H ASP 102 -2.804 4.595 8.126 608 HA ASP 102 HA ASP 102 -4.465 2.604 9.507 609 HB2 ASP 102 2HB ASP 102 -2.115 2.221 8.657 610 HB3 ASP 102 3HB ASP 102 -1.530 3.235 9.940 611 H ASP 103 H ASP 103 -5.689 4.655 10.017 612 HA ASP 103 HA ASP 103 -6.414 6.342 11.144 613 HB2 ASP 103 2HB ASP 103 -6.977 4.358 12.576 614 HB3 ASP 103 3HB ASP 103 -5.728 4.909 13.696 615 H ASN 104 H ASN 104 -3.958 7.025 10.263 616 HA ASN 104 HA ASN 104 -3.331 9.217 12.195 617 HB2 ASN 104 2HB ASN 104 -1.123 9.465 10.982 618 HB3 ASN 104 3HB ASN 104 -1.293 8.116 12.099 619 HD21 ASN 104 1HD2 ASN 104 -2.371 8.293 8.690 620 HD22 ASN 104 2HD2 ASN 104 -1.466 6.820 8.240 Start of MODEL 5 1 HA PRO 25 HA PRO 25 9.980 14.930 6.952 2 HB2 PRO 25 2HB PRO 25 10.415 15.500 4.010 3 HB3 PRO 25 3HB PRO 25 11.450 15.893 5.420 4 HG2 PRO 25 2HG PRO 25 11.531 13.505 3.812 5 HG3 PRO 25 3HG PRO 25 12.394 13.753 5.351 6 HD2 PRO 25 2HD PRO 25 10.375 11.864 5.035 7 HD3 PRO 25 3HD PRO 25 10.835 12.613 6.574 8 H ALA 26 H ALA 26 8.114 15.673 3.918 9 HA ALA 26 HA ALA 26 6.674 17.869 5.090 10 HB1 ALA 26 1HB ALA 26 6.027 15.967 2.802 11 HB2 ALA 26 2HB ALA 26 5.243 17.539 3.094 12 HB3 ALA 26 3HB ALA 26 6.972 17.466 2.675 13 H LYS 27 H LYS 27 6.198 14.387 5.044 14 HA LYS 27 HA LYS 27 4.446 14.451 7.420 15 HB2 LYS 27 2HB LYS 27 3.310 14.167 4.836 16 HB3 LYS 27 3HB LYS 27 3.497 12.531 5.352 17 HG2 LYS 27 2HG LYS 27 2.106 14.638 7.071 18 HG3 LYS 27 3HG LYS 27 1.320 13.750 5.786 19 HD2 LYS 27 2HD LYS 27 2.316 11.635 7.110 20 HD3 LYS 27 3HD LYS 27 2.198 12.765 8.467 21 HE2 LYS 27 2HE LYS 27 -0.007 11.732 6.629 22 HE3 LYS 27 3HE LYS 27 0.217 11.387 8.341 23 HZ1 LYS 27 3HZ LYS 27 -1.474 12.966 8.168 24 HZ2 LYS 27 1HZ LYS 27 -0.202 13.822 8.728 25 HZ3 LYS 27 2HZ LYS 27 -0.658 13.956 7.140 26 H ARG 28 H ARG 28 4.292 12.332 8.390 27 HA ARG 28 HA ARG 28 5.494 10.072 7.042 28 HE ARG 28 HE ARG 28 9.092 7.685 7.695 29 HB2 ARG 28 2HB ARG 28 6.807 11.313 9.303 30 HB3 ARG 28 3HB ARG 28 6.100 9.784 9.878 31 HG2 ARG 28 2HG ARG 28 7.052 8.605 7.924 32 HG3 ARG 28 3HG ARG 28 7.695 10.160 7.334 33 HD2 ARG 28 2HD ARG 28 9.297 10.264 9.083 34 HD3 ARG 28 3HD ARG 28 8.459 9.019 10.039 35 HH11 ARG 28 1HH2 ARG 28 11.104 9.201 10.148 36 HH12 ARG 28 2HH2 ARG 28 12.413 8.095 9.822 37 HH21 ARG 28 2HH1 ARG 28 10.625 6.393 7.381 38 HH22 ARG 28 1HH1 ARG 28 12.177 6.514 8.223 39 H TYR 29 H TYR 29 4.190 8.526 6.962 40 HA TYR 29 HA TYR 29 1.942 8.128 8.875 41 HD1 TYR 29 HD2 TYR 29 0.808 6.047 5.631 42 HD2 TYR 29 HD1 TYR 29 2.544 9.918 4.741 43 HE1 TYR 29 HE2 TYR 29 1.530 5.194 3.422 44 HE2 TYR 29 HE1 TYR 29 2.916 9.162 2.480 45 HH TYR 29 HH TYR 29 2.179 5.768 1.392 46 HB2 TYR 29 2HB TYR 29 0.371 8.002 7.060 47 HB3 TYR 29 3HB TYR 29 1.193 9.520 6.829 48 H ARG 30 H ARG 30 0.847 6.054 8.366 49 HA ARG 30 HA ARG 30 2.379 4.208 6.659 50 HE ARG 30 HE ARG 30 0.582 0.882 9.846 51 HB2 ARG 30 2HB ARG 30 3.178 4.160 9.099 52 HB3 ARG 30 3HB ARG 30 1.648 3.436 9.482 53 HG2 ARG 30 2HG ARG 30 3.527 2.293 7.359 54 HG3 ARG 30 3HG ARG 30 3.833 2.015 9.053 55 HD2 ARG 30 2HD ARG 30 1.250 1.262 7.646 56 HD3 ARG 30 3HD ARG 30 2.603 0.163 7.907 57 HH11 ARG 30 1HH2 ARG 30 3.995 -0.001 9.799 58 HH12 ARG 30 2HH2 ARG 30 3.948 -0.476 11.476 59 HH21 ARG 30 2HH1 ARG 30 0.595 0.218 11.852 60 HH22 ARG 30 1HH1 ARG 30 2.067 -0.345 12.636 61 H ILE 31 H ILE 31 0.971 3.229 5.320 62 HA ILE 31 HA ILE 31 -1.953 3.113 6.005 63 HB ILE 31 HB ILE 31 -2.392 2.623 3.631 64 HG12 ILE 31 2HG1 ILE 31 0.519 3.225 3.119 65 HG13 ILE 31 3HG1 ILE 31 -0.216 1.611 3.084 66 HG21 ILE 31 1HG2 ILE 31 -2.038 4.860 2.719 67 HG22 ILE 31 2HG2 ILE 31 -2.598 4.889 4.377 68 HG23 ILE 31 3HG2 ILE 31 -0.887 5.224 4.024 69 HD11 ILE 31 3HD1 ILE 31 -0.742 3.887 1.171 70 HD12 ILE 31 1HD1 ILE 31 -0.052 2.292 0.839 71 HD13 ILE 31 2HD1 ILE 31 -1.769 2.430 1.275 72 H THR 32 H THR 32 -3.065 1.231 5.367 73 HA THR 32 HA THR 32 -1.528 -1.344 5.390 74 HB THR 32 HB THR 32 -4.183 -0.622 6.683 75 HG1 THR 32 1HG THR 32 -3.031 -0.852 8.575 76 HG21 THR 32 1HG2 THR 32 -2.674 -3.282 6.606 77 HG22 THR 32 2HG2 THR 32 -3.941 -2.908 7.793 78 HG23 THR 32 3HG2 THR 32 -4.337 -2.934 6.084 79 H MET 33 H MET 33 -2.178 -2.870 4.030 80 HA MET 33 HA MET 33 -4.484 -2.373 2.280 81 HB2 MET 33 2HB MET 33 -1.735 -3.320 1.301 82 HB3 MET 33 3HB MET 33 -3.108 -2.852 0.323 83 HG2 MET 33 2HG MET 33 -2.763 -0.520 1.632 84 HG3 MET 33 3HG MET 33 -1.159 -1.183 1.875 85 HE1 MET 33 3HE MET 33 -0.106 -2.428 -0.515 86 HE2 MET 33 1HE MET 33 -1.627 -2.636 -1.401 87 HE3 MET 33 2HE MET 33 -0.320 -1.650 -2.103 88 H LYS 34 H LYS 34 -5.754 -4.090 2.065 89 HA LYS 34 HA LYS 34 -4.845 -6.906 2.409 90 HB2 LYS 34 2HB LYS 34 -7.059 -6.714 4.217 91 HB3 LYS 34 3HB LYS 34 -5.568 -7.123 4.495 92 HG2 LYS 34 2HG LYS 34 -6.226 -5.409 6.070 93 HG3 LYS 34 3HG LYS 34 -5.256 -4.458 4.923 94 HD2 LYS 34 2HD LYS 34 -7.454 -4.116 3.599 95 HD3 LYS 34 3HD LYS 34 -8.303 -4.869 4.904 96 HE2 LYS 34 2HE LYS 34 -6.606 -2.328 5.132 97 HE3 LYS 34 3HE LYS 34 -8.360 -2.369 4.954 98 HZ1 LYS 34 3HZ LYS 34 -7.840 -2.119 7.246 99 HZ2 LYS 34 1HZ LYS 34 -8.463 -3.614 7.065 100 HZ3 LYS 34 2HZ LYS 34 -6.847 -3.433 7.278 101 H ASN 35 H ASN 35 -6.588 -8.412 2.383 102 HA ASN 35 HA ASN 35 -9.078 -7.662 2.787 103 HB2 ASN 35 2HB ASN 35 -9.571 -6.561 0.942 104 HB3 ASN 35 3HB ASN 35 -8.493 -7.395 -0.092 105 HD21 ASN 35 2HD2 ASN 35 -9.391 -8.575 -1.651 106 HD22 ASN 35 1HD2 ASN 35 -11.046 -9.190 -1.648 107 H LEU 36 H LEU 36 -10.747 -9.590 2.406 108 HA LEU 36 HA LEU 36 -9.623 -11.591 3.989 109 HG LEU 36 HG LEU 36 -12.236 -9.772 3.866 110 HB2 LEU 36 2HB LEU 36 -12.198 -11.759 2.389 111 HB3 LEU 36 3HB LEU 36 -11.756 -12.784 3.751 112 HD11 LEU 36 1HD1 LEU 36 -14.227 -10.378 5.160 113 HD12 LEU 36 2HD1 LEU 36 -14.278 -11.116 3.552 114 HD13 LEU 36 3HD1 LEU 36 -13.854 -12.106 4.961 115 HD21 LEU 36 3HD2 LEU 36 -12.152 -10.074 6.338 116 HD22 LEU 36 1HD2 LEU 36 -11.589 -11.744 6.102 117 HD23 LEU 36 2HD2 LEU 36 -10.589 -10.368 5.578 118 HA PRO 37 HA PRO 37 -9.070 -14.675 0.343 119 HB2 PRO 37 2HB PRO 37 -8.582 -12.827 -1.962 120 HB3 PRO 37 3HB PRO 37 -9.458 -14.387 -1.928 121 HG2 PRO 37 2HG PRO 37 -10.806 -12.035 -2.101 122 HG3 PRO 37 3HG PRO 37 -11.415 -13.350 -1.037 123 HD2 PRO 37 2HD PRO 37 -9.681 -10.984 -0.268 124 HD3 PRO 37 3HD PRO 37 -11.230 -11.510 0.460 125 H GLU 38 H GLU 38 -7.259 -12.028 1.393 126 HA GLU 38 HA GLU 38 -4.729 -13.003 0.178 127 HB2 GLU 38 2HB GLU 38 -6.008 -10.328 0.143 128 HB3 GLU 38 3HB GLU 38 -4.367 -10.257 0.686 129 HG2 GLU 38 2HG GLU 38 -5.409 -11.196 -1.963 130 HG3 GLU 38 3HG GLU 38 -4.298 -9.862 -1.606 131 H GLY 39 H GLY 39 -2.901 -11.837 1.060 132 HA2 GLY 39 2HA GLY 39 -2.568 -11.322 3.896 133 HA3 GLY 39 3HA GLY 39 -1.841 -12.856 3.379 134 H CYS 40 H CYS 40 -1.244 -11.881 0.666 135 HA CYS 40 HA CYS 40 0.370 -11.141 -0.574 136 HG CYS 40 HG CYS 40 -2.056 -9.943 -0.586 137 HB2 CYS 40 2HB CYS 40 0.552 -8.511 0.816 138 HB3 CYS 40 3HB CYS 40 0.510 -8.919 -0.891 139 H SER 41 H SER 41 2.519 -9.750 -0.637 140 HA SER 41 HA SER 41 4.395 -10.364 1.531 141 HG SER 41 HG SER 41 4.037 -12.448 -1.634 142 HB2 SER 41 2HB SER 41 5.443 -11.091 -1.118 143 HB3 SER 41 3HB SER 41 5.703 -11.863 0.451 144 H TRP 42 H TRP 42 6.414 -8.973 1.269 145 HA TRP 42 HA TRP 42 5.625 -6.502 0.161 146 HD1 TRP 42 HD1 TRP 42 10.156 -5.340 0.961 147 HE1 TRP 42 HE1 TRP 42 10.250 -2.976 -0.014 148 HE3 TRP 42 HE3 TRP 42 5.143 -4.592 0.009 149 HZ2 TRP 42 HZ2 TRP 42 8.443 -1.145 -1.360 150 HZ3 TRP 42 HZ3 TRP 42 4.417 -2.655 -1.273 151 HH2 TRP 42 HH2 TRP 42 5.992 -0.933 -1.970 152 HB2 TRP 42 2HB TRP 42 7.243 -6.589 1.972 153 HB3 TRP 42 3HB TRP 42 8.442 -7.290 0.914 154 H GLN 43 H GLN 43 7.786 -8.945 -1.271 155 HA GLN 43 HA GLN 43 8.356 -7.465 -3.551 156 HB2 GLN 43 2HB GLN 43 8.577 -9.710 -4.739 157 HB3 GLN 43 3HB GLN 43 9.504 -9.585 -3.242 158 HG2 GLN 43 2HG GLN 43 8.147 -11.091 -2.092 159 HG3 GLN 43 3HG GLN 43 6.718 -10.702 -3.021 160 HE21 GLN 43 1HE2 GLN 43 5.992 -12.547 -3.974 161 HE22 GLN 43 2HE2 GLN 43 7.044 -13.662 -4.855 162 H ASP 44 H ASP 44 5.332 -8.839 -2.789 163 HA ASP 44 HA ASP 44 4.354 -8.905 -5.579 164 HB2 ASP 44 2HB ASP 44 3.313 -9.673 -2.818 165 HB3 ASP 44 3HB ASP 44 2.316 -9.589 -4.216 166 H LEU 45 H LEU 45 3.808 -7.160 -2.508 167 HA LEU 45 HA LEU 45 1.872 -5.338 -3.679 168 HG LEU 45 HG LEU 45 1.422 -6.947 -1.236 169 HB2 LEU 45 2HB LEU 45 3.445 -5.573 -1.089 170 HB3 LEU 45 3HB LEU 45 2.524 -4.131 -1.442 171 HD11 LEU 45 1HD1 LEU 45 1.218 -4.388 0.436 172 HD12 LEU 45 2HD1 LEU 45 0.372 -5.927 0.812 173 HD13 LEU 45 3HD1 LEU 45 2.151 -5.832 0.839 174 HD21 LEU 45 3HD2 LEU 45 -0.839 -5.744 -1.242 175 HD22 LEU 45 1HD2 LEU 45 0.024 -4.311 -1.851 176 HD23 LEU 45 2HD2 LEU 45 -0.025 -5.782 -2.811 177 H LYS 46 H LYS 46 5.358 -5.280 -3.304 178 HA LYS 46 HA LYS 46 5.808 -2.472 -4.115 179 HB2 LYS 46 2HB LYS 46 7.423 -4.028 -2.919 180 HB3 LYS 46 3HB LYS 46 7.476 -5.034 -4.364 181 HG2 LYS 46 2HG LYS 46 8.240 -2.105 -4.394 182 HG3 LYS 46 3HG LYS 46 9.375 -3.341 -3.866 183 HD2 LYS 46 2HD LYS 46 8.053 -3.362 -6.615 184 HD3 LYS 46 3HD LYS 46 9.594 -2.633 -6.197 185 HE2 LYS 46 2HE LYS 46 10.568 -4.793 -5.728 186 HE3 LYS 46 3HE LYS 46 8.989 -5.571 -5.605 187 HZ1 LYS 46 3HZ LYS 46 10.045 -4.500 -8.163 188 HZ2 LYS 46 1HZ LYS 46 10.175 -6.058 -7.701 189 HZ3 LYS 46 2HZ LYS 46 8.705 -5.442 -7.969 190 H ASP 47 H ASP 47 5.699 -5.654 -5.772 191 HA ASP 47 HA ASP 47 5.785 -4.491 -8.366 192 HB2 ASP 47 2HB ASP 47 5.202 -7.156 -7.242 193 HB3 ASP 47 3HB ASP 47 4.125 -6.773 -8.533 194 H LEU 48 H LEU 48 2.774 -5.350 -6.569 195 HA LEU 48 HA LEU 48 1.149 -4.065 -8.455 196 HG LEU 48 HG LEU 48 -1.049 -3.403 -7.996 197 HB2 LEU 48 2HB LEU 48 0.170 -5.406 -6.773 198 HB3 LEU 48 3HB LEU 48 0.543 -4.233 -5.512 199 HD11 LEU 48 1HD1 LEU 48 -3.146 -3.769 -6.611 200 HD12 LEU 48 2HD1 LEU 48 -2.348 -5.204 -7.232 201 HD13 LEU 48 3HD1 LEU 48 -2.163 -4.727 -5.497 202 HD21 LEU 48 3HD2 LEU 48 -0.500 -1.548 -6.726 203 HD22 LEU 48 1HD2 LEU 48 -2.140 -1.910 -6.325 204 HD23 LEU 48 2HD2 LEU 48 -0.873 -2.396 -5.174 205 H ALA 49 H ALA 49 2.634 -2.494 -5.562 206 HA ALA 49 HA ALA 49 1.562 0.027 -6.015 207 HB1 ALA 49 1HB ALA 49 2.669 -0.454 -3.997 208 HB2 ALA 49 2HB ALA 49 4.169 -0.980 -4.825 209 HB3 ALA 49 3HB ALA 49 3.734 0.738 -4.776 210 H ARG 50 H ARG 50 4.366 -1.441 -7.614 211 HA ARG 50 HA ARG 50 4.819 1.001 -9.229 212 HE ARG 50 HE ARG 50 9.018 0.998 -6.467 213 HB2 ARG 50 2HB ARG 50 6.346 -1.594 -8.865 214 HB3 ARG 50 3HB ARG 50 6.785 -0.333 -10.039 215 HG2 ARG 50 2HG ARG 50 7.776 0.841 -8.427 216 HG3 ARG 50 3HG ARG 50 6.216 1.069 -7.628 217 HD2 ARG 50 2HD ARG 50 6.452 -0.483 -6.065 218 HD3 ARG 50 3HD ARG 50 7.817 -1.262 -6.858 219 HH11 ARG 50 1HH1 ARG 50 6.564 0.007 -4.145 220 HH12 ARG 50 2HH1 ARG 50 7.182 1.100 -2.933 221 HH21 ARG 50 1HH2 ARG 50 9.664 2.323 -4.987 222 HH22 ARG 50 2HH2 ARG 50 8.944 2.370 -3.384 223 H GLU 51 H GLU 51 2.939 -1.771 -9.556 224 HA GLU 51 HA GLU 51 2.279 -1.497 -12.377 225 HB2 GLU 51 2HB GLU 51 0.380 -2.327 -10.172 226 HB3 GLU 51 3HB GLU 51 0.038 -2.371 -11.799 227 HG2 GLU 51 2HG GLU 51 2.371 -3.879 -10.600 228 HG3 GLU 51 3HG GLU 51 0.819 -4.543 -10.473 229 H ASN 52 H ASN 52 1.434 0.046 -9.452 230 HA ASN 52 HA ASN 52 -0.737 1.709 -10.562 231 HB2 ASN 52 2HB ASN 52 0.072 0.370 -7.986 232 HB3 ASN 52 3HB ASN 52 -0.822 1.754 -7.809 233 HD21 ASN 52 2HD2 ASN 52 -0.850 -1.484 -8.985 234 HD22 ASN 52 1HD2 ASN 52 -2.599 -1.597 -9.173 235 H SER 53 H SER 53 2.502 2.214 -9.687 236 HA SER 53 HA SER 53 3.813 4.047 -9.647 237 HG SER 53 HG SER 53 2.118 4.029 -12.009 238 HB2 SER 53 2HB SER 53 1.419 5.690 -10.530 239 HB3 SER 53 3HB SER 53 3.108 6.223 -10.481 240 H LEU 54 H LEU 54 2.299 3.087 -7.354 241 HA LEU 54 HA LEU 54 1.848 5.148 -5.389 242 HG LEU 54 HG LEU 54 0.574 1.839 -4.622 243 HB2 LEU 54 2HB LEU 54 2.468 2.252 -5.521 244 HB3 LEU 54 3HB LEU 54 3.083 2.938 -4.073 245 HD11 LEU 54 1HD1 LEU 54 1.295 3.512 -2.196 246 HD12 LEU 54 2HD1 LEU 54 0.088 2.219 -2.285 247 HD13 LEU 54 3HD1 LEU 54 1.795 1.825 -2.445 248 HD21 LEU 54 3HD2 LEU 54 -1.085 3.471 -4.127 249 HD22 LEU 54 1HD2 LEU 54 0.112 4.776 -4.032 250 HD23 LEU 54 2HD2 LEU 54 -0.231 3.965 -5.581 251 H GLU 55 H GLU 55 4.806 3.353 -6.331 252 HA GLU 55 HA GLU 55 6.792 3.317 -5.278 253 HB2 GLU 55 2HB GLU 55 7.042 4.439 -7.394 254 HB3 GLU 55 3HB GLU 55 6.841 6.018 -6.608 255 HG2 GLU 55 2HG GLU 55 8.887 6.000 -5.831 256 HG3 GLU 55 3HG GLU 55 8.791 4.453 -5.093 257 H THR 56 H THR 56 5.681 3.300 -3.265 258 HA THR 56 HA THR 56 6.045 5.373 -1.261 259 HB THR 56 HB THR 56 5.556 3.480 0.250 260 HG1 THR 56 1HG THR 56 5.354 1.447 -0.604 261 HG21 THR 56 1HG2 THR 56 3.667 3.847 -2.046 262 HG22 THR 56 2HG2 THR 56 3.320 2.754 -0.689 263 HG23 THR 56 3HG2 THR 56 3.590 4.468 -0.388 264 H THR 57 H THR 57 7.477 4.637 0.766 265 HA THR 57 HA THR 57 10.245 4.265 -0.079 266 HB THR 57 HB THR 57 9.148 3.965 2.740 267 HG1 THR 57 1HG THR 57 9.024 6.011 2.966 268 HG21 THR 57 1HG2 THR 57 11.522 3.429 2.523 269 HG22 THR 57 2HG2 THR 57 11.828 4.992 1.725 270 HG23 THR 57 3HG2 THR 57 11.297 4.930 3.428 271 H PHE 58 H PHE 58 7.872 2.375 1.792 272 HA PHE 58 HA PHE 58 9.065 -0.226 1.281 273 HD1 PHE 58 HD1 PHE 58 9.311 2.805 4.625 274 HD2 PHE 58 HD2 PHE 58 9.184 -1.487 5.039 275 HE1 PHE 58 HE1 PHE 58 8.624 3.043 6.999 276 HE2 PHE 58 HE2 PHE 58 8.426 -1.241 7.381 277 HZ PHE 58 HZ PHE 58 8.148 1.027 8.369 278 HB2 PHE 58 2HB PHE 58 10.275 -0.454 3.160 279 HB3 PHE 58 3HB PHE 58 10.488 1.247 3.015 280 H SER 59 H SER 59 8.052 -1.888 2.801 281 HA SER 59 HA SER 59 5.625 -0.990 4.213 282 HG SER 59 HG SER 59 3.652 -2.431 3.960 283 HB2 SER 59 2HB SER 59 4.695 -1.522 2.168 284 HB3 SER 59 3HB SER 59 5.624 -3.012 2.006 285 H SER 60 H SER 60 5.009 -2.320 5.872 286 HA SER 60 HA SER 60 6.682 -4.649 6.715 287 HG SER 60 HG SER 60 4.817 -5.504 8.886 288 HB2 SER 60 2HB SER 60 5.776 -2.876 8.343 289 HB3 SER 60 3HB SER 60 4.164 -3.548 8.016 290 H VAL 61 H VAL 61 6.120 -6.533 5.652 291 HA VAL 61 HA VAL 61 3.239 -7.160 5.336 292 HB VAL 61 HB VAL 61 5.185 -8.000 3.157 293 HG11 VAL 61 1HG1 VAL 61 2.180 -7.466 3.089 294 HG12 VAL 61 2HG1 VAL 61 3.134 -7.992 1.740 295 HG13 VAL 61 3HG1 VAL 61 2.913 -9.075 3.105 296 HG21 VAL 61 3HG2 VAL 61 5.385 -5.583 3.110 297 HG22 VAL 61 1HG2 VAL 61 4.351 -6.086 1.772 298 HG23 VAL 61 2HG2 VAL 61 3.618 -5.426 3.223 299 H ASN 62 H ASN 62 2.854 -9.465 4.949 300 HA ASN 62 HA ASN 62 3.060 -11.694 5.251 301 HB2 ASN 62 2HB ASN 62 5.973 -11.261 5.998 302 HB3 ASN 62 3HB ASN 62 5.200 -12.801 5.693 303 HD21 ASN 62 1HD2 ASN 62 6.786 -10.054 4.274 304 HD22 ASN 62 2HD2 ASN 62 6.828 -10.776 2.680 305 H THR 63 H THR 63 3.838 -9.457 7.744 306 HA THR 63 HA THR 63 2.393 -10.930 9.818 307 HB THR 63 HB THR 63 5.386 -10.369 9.996 308 HG1 THR 63 1HG THR 63 4.294 -12.460 9.320 309 HG21 THR 63 1HG2 THR 63 3.495 -11.003 12.303 310 HG22 THR 63 2HG2 THR 63 5.267 -11.119 12.369 311 HG23 THR 63 3HG2 THR 63 4.509 -9.550 12.120 312 H ARG 64 H ARG 64 1.511 -9.518 11.200 313 HA ARG 64 HA ARG 64 1.927 -7.339 12.510 314 HE ARG 64 HE ARG 64 -1.371 -5.039 9.328 315 HB2 ARG 64 2HB ARG 64 1.347 -5.269 11.342 316 HB3 ARG 64 3HB ARG 64 2.840 -5.929 10.746 317 HG2 ARG 64 2HG ARG 64 1.970 -6.370 8.643 318 HG3 ARG 64 3HG ARG 64 0.375 -6.755 9.258 319 HD2 ARG 64 2HD ARG 64 1.438 -3.929 9.157 320 HD3 ARG 64 3HD ARG 64 0.603 -4.703 7.811 321 HH11 ARG 64 1HH1 ARG 64 0.715 -2.280 9.888 322 HH12 ARG 64 2HH1 ARG 64 -0.624 -1.323 10.501 323 HH21 ARG 64 2HH2 ARG 64 -2.935 -3.811 10.199 324 HH22 ARG 64 1HH2 ARG 64 -2.617 -2.099 10.549 325 H ASP 65 H ASP 65 -0.360 -9.074 10.697 326 HA ASP 65 HA ASP 65 -2.669 -7.772 12.091 327 HB2 ASP 65 2HB ASP 65 -1.803 -7.109 9.556 328 HB3 ASP 65 3HB ASP 65 -2.871 -8.430 9.206 329 H PHE 66 H PHE 66 -4.672 -8.973 10.608 330 HA PHE 66 HA PHE 66 -5.393 -11.274 11.892 331 HD1 PHE 66 HD1 PHE 66 -4.694 -9.625 8.241 332 HD2 PHE 66 HD2 PHE 66 -8.277 -11.984 8.609 333 HE1 PHE 66 HE1 PHE 66 -4.643 -10.082 5.802 334 HE2 PHE 66 HE2 PHE 66 -8.302 -12.321 6.154 335 HZ PHE 66 HZ PHE 66 -6.480 -11.382 4.740 336 HB2 PHE 66 2HB PHE 66 -7.246 -11.218 10.553 337 HB3 PHE 66 3HB PHE 66 -6.673 -9.578 10.353 338 H ASP 67 H ASP 67 -3.329 -11.199 9.104 339 HA ASP 67 HA ASP 67 -2.626 -14.032 9.291 340 HB2 ASP 67 2HB ASP 67 -4.536 -14.203 7.756 341 HB3 ASP 67 3HB ASP 67 -3.909 -12.886 6.766 342 H GLY 68 H GLY 68 -2.443 -11.123 7.198 343 HA2 GLY 68 2HA GLY 68 0.305 -10.630 7.988 344 HA3 GLY 68 3HA GLY 68 0.150 -11.086 6.272 345 H THR 69 H THR 69 -1.604 -9.761 5.083 346 HA THR 69 HA THR 69 -2.203 -7.747 4.156 347 HB THR 69 HB THR 69 -2.820 -5.847 5.303 348 HG1 THR 69 1HG THR 69 -1.206 -6.828 7.376 349 HG21 THR 69 1HG2 THR 69 -3.358 -8.083 7.259 350 HG22 THR 69 2HG2 THR 69 -4.337 -6.625 7.000 351 HG23 THR 69 3HG2 THR 69 -4.191 -7.900 5.754 352 H GLY 70 H GLY 70 -1.152 -5.505 3.647 353 HA2 GLY 70 2HA GLY 70 1.741 -5.432 4.431 354 HA3 GLY 70 3HA GLY 70 1.299 -5.145 2.766 355 H ALA 71 H ALA 71 2.355 -3.595 5.219 356 HA ALA 71 HA ALA 71 0.527 -1.278 4.931 357 HB1 ALA 71 1HB ALA 71 0.227 -2.616 6.989 358 HB2 ALA 71 2HB ALA 71 1.912 -2.255 7.458 359 HB3 ALA 71 3HB ALA 71 0.681 -0.967 7.335 360 H LEU 72 H LEU 72 1.391 0.315 3.946 361 HA LEU 72 HA LEU 72 4.253 0.386 3.238 362 HG LEU 72 HG LEU 72 2.027 0.745 0.199 363 HB2 LEU 72 2HB LEU 72 1.845 1.809 2.228 364 HB3 LEU 72 3HB LEU 72 3.395 2.095 1.655 365 HD11 LEU 72 1HD1 LEU 72 3.947 0.291 -0.690 366 HD12 LEU 72 2HD1 LEU 72 4.789 0.343 0.890 367 HD13 LEU 72 3HD1 LEU 72 4.052 -1.147 0.287 368 HD21 LEU 72 3HD2 LEU 72 1.665 -1.595 0.473 369 HD22 LEU 72 1HD2 LEU 72 2.396 -1.578 2.078 370 HD23 LEU 72 2HD2 LEU 72 0.888 -0.700 1.800 371 H GLU 73 H GLU 73 5.377 2.436 3.223 372 HA GLU 73 HA GLU 73 4.245 4.718 4.886 373 HB2 GLU 73 2HB GLU 73 5.822 3.378 6.178 374 HB3 GLU 73 3HB GLU 73 7.053 3.592 4.941 375 HG2 GLU 73 2HG GLU 73 5.991 6.161 5.989 376 HG3 GLU 73 3HG GLU 73 6.673 5.131 7.236 377 H PHE 74 H PHE 74 4.994 6.880 4.326 378 HA PHE 74 HA PHE 74 7.129 7.154 2.410 379 HD1 PHE 74 HD2 PHE 74 7.253 6.536 0.122 380 HD2 PHE 74 HD1 PHE 74 5.687 10.511 0.337 381 HE1 PHE 74 HE2 PHE 74 8.933 7.270 -1.555 382 HE2 PHE 74 HE1 PHE 74 7.398 11.287 -1.263 383 HZ PHE 74 HZ PHE 74 9.022 9.666 -2.230 384 HB2 PHE 74 2HB PHE 74 4.724 7.195 1.109 385 HB3 PHE 74 3HB PHE 74 4.769 8.829 1.681 386 HA PRO 75 HA PRO 75 8.095 11.075 4.471 387 HB2 PRO 75 2HB PRO 75 8.745 11.621 1.540 388 HB3 PRO 75 3HB PRO 75 9.607 12.261 2.961 389 HG2 PRO 75 2HG PRO 75 10.559 10.063 1.776 390 HG3 PRO 75 3HG PRO 75 10.376 10.042 3.564 391 HD2 PRO 75 2HD PRO 75 8.630 8.817 1.467 392 HD3 PRO 75 3HD PRO 75 9.057 8.200 3.082 393 H SER 76 H SER 76 5.477 10.883 2.204 394 HA SER 76 HA SER 76 4.438 13.531 3.042 395 HG SER 76 HG SER 76 5.735 14.767 0.008 396 HB2 SER 76 2HB SER 76 4.671 12.595 0.184 397 HB3 SER 76 3HB SER 76 3.819 14.035 0.677 398 H GLU 77 H GLU 77 2.276 13.408 3.416 399 HA GLU 77 HA GLU 77 0.738 11.094 3.041 400 HB2 GLU 77 2HB GLU 77 -1.257 12.528 3.432 401 HB3 GLU 77 3HB GLU 77 0.012 12.633 4.626 402 HG2 GLU 77 2HG GLU 77 0.799 14.778 3.555 403 HG3 GLU 77 3HG GLU 77 -0.510 14.631 2.383 404 H GLU 78 H GLU 78 1.601 13.379 0.640 405 HA GLU 78 HA GLU 78 -0.319 13.201 -1.353 406 HB2 GLU 78 2HB GLU 78 2.710 12.830 -1.583 407 HB3 GLU 78 3HB GLU 78 1.638 13.199 -2.929 408 HG2 GLU 78 2HG GLU 78 1.088 15.378 -1.957 409 HG3 GLU 78 3HG GLU 78 2.022 15.014 -0.512 410 H ILE 79 H ILE 79 2.159 10.711 -0.588 411 HA ILE 79 HA ILE 79 1.263 8.881 -2.658 412 HB ILE 79 HB ILE 79 3.233 8.517 -0.374 413 HG12 ILE 79 2HG1 ILE 79 3.316 9.972 -2.917 414 HG13 ILE 79 3HG1 ILE 79 4.267 10.159 -1.503 415 HG21 ILE 79 1HG2 ILE 79 4.199 6.631 -1.711 416 HG22 ILE 79 2HG2 ILE 79 2.561 6.318 -1.179 417 HG23 ILE 79 3HG2 ILE 79 2.845 6.807 -2.849 418 HD11 ILE 79 3HD1 ILE 79 4.720 8.314 -3.867 419 HD12 ILE 79 1HD1 ILE 79 5.693 9.696 -3.341 420 HD13 ILE 79 2HD1 ILE 79 5.689 8.206 -2.384 421 H LEU 80 H LEU 80 0.730 9.185 0.778 422 HA LEU 80 HA LEU 80 -0.625 6.765 1.289 423 HG LEU 80 HG LEU 80 -2.678 9.475 2.830 424 HB2 LEU 80 2HB LEU 80 -0.153 7.789 3.209 425 HB3 LEU 80 3HB LEU 80 -0.206 9.372 2.561 426 HD11 LEU 80 1HD1 LEU 80 -3.047 6.949 2.986 427 HD12 LEU 80 2HD1 LEU 80 -2.362 7.073 4.630 428 HD13 LEU 80 3HD1 LEU 80 -3.845 7.947 4.220 429 HD21 LEU 80 3HD2 LEU 80 -1.150 10.402 4.540 430 HD22 LEU 80 1HD2 LEU 80 -2.649 9.762 5.239 431 HD23 LEU 80 2HD2 LEU 80 -1.145 8.830 5.364 432 H VAL 81 H VAL 81 -1.851 9.989 0.335 433 HA VAL 81 HA VAL 81 -4.659 9.218 0.316 434 HB VAL 81 HB VAL 81 -3.177 11.646 -0.825 435 HG11 VAL 81 1HG1 VAL 81 -6.183 11.244 -0.462 436 HG12 VAL 81 2HG1 VAL 81 -5.401 12.794 -0.850 437 HG13 VAL 81 3HG1 VAL 81 -5.316 11.463 -1.998 438 HG21 VAL 81 3HG2 VAL 81 -4.037 12.885 1.079 439 HG22 VAL 81 1HG2 VAL 81 -4.897 11.440 1.680 440 HG23 VAL 81 2HG2 VAL 81 -3.126 11.497 1.657 441 H GLU 82 H GLU 82 -2.128 9.547 -2.123 442 HA GLU 82 HA GLU 82 -3.553 8.963 -4.414 443 HB2 GLU 82 2HB GLU 82 -0.841 8.709 -3.212 444 HB3 GLU 82 3HB GLU 82 -1.146 7.534 -4.341 445 HG2 GLU 82 2HG GLU 82 -1.372 10.529 -4.691 446 HG3 GLU 82 3HG GLU 82 -0.003 9.576 -5.259 447 H ALA 83 H ALA 83 -1.811 6.498 -2.404 448 HA ALA 83 HA ALA 83 -3.069 4.213 -3.518 449 HB1 ALA 83 1HB ALA 83 -2.250 4.522 -0.610 450 HB2 ALA 83 2HB ALA 83 -2.276 3.040 -1.606 451 HB3 ALA 83 3HB ALA 83 -1.104 4.333 -1.952 452 H LEU 84 H LEU 84 -4.353 6.228 -0.913 453 HA LEU 84 HA LEU 84 -6.617 4.516 -0.207 454 HG LEU 84 HG LEU 84 -4.897 7.189 1.711 455 HB2 LEU 84 2HB LEU 84 -6.429 7.537 0.131 456 HB3 LEU 84 3HB LEU 84 -7.612 6.508 0.820 457 HD11 LEU 84 1HD1 LEU 84 -5.935 6.930 3.892 458 HD12 LEU 84 2HD1 LEU 84 -6.930 7.924 2.811 459 HD13 LEU 84 3HD1 LEU 84 -7.388 6.232 3.130 460 HD21 LEU 84 3HD2 LEU 84 -5.989 4.390 1.943 461 HD22 LEU 84 1HD2 LEU 84 -4.404 4.882 1.326 462 HD23 LEU 84 2HD2 LEU 84 -4.737 5.078 3.062 463 H GLU 85 H GLU 85 -6.096 6.870 -2.750 464 HA GLU 85 HA GLU 85 -8.858 6.378 -3.620 465 HB2 GLU 85 2HB GLU 85 -6.742 8.207 -4.737 466 HB3 GLU 85 3HB GLU 85 -8.418 8.096 -5.307 467 HG2 GLU 85 2HG GLU 85 -9.241 9.048 -3.239 468 HG3 GLU 85 3HG GLU 85 -7.602 9.107 -2.574 469 H ARG 86 H ARG 86 -5.751 5.049 -4.317 470 HA ARG 86 HA ARG 86 -6.392 4.555 -7.196 471 HE ARG 86 HE ARG 86 -6.521 7.049 -8.172 472 HB2 ARG 86 2HB ARG 86 -3.976 5.203 -5.545 473 HB3 ARG 86 3HB ARG 86 -3.704 3.981 -6.582 474 HG2 ARG 86 2HG ARG 86 -3.073 5.849 -7.738 475 HG3 ARG 86 3HG ARG 86 -4.625 5.493 -8.509 476 HD2 ARG 86 2HD ARG 86 -4.624 7.351 -6.135 477 HD3 ARG 86 3HD ARG 86 -3.859 7.930 -7.632 478 HH11 ARG 86 2HH2 ARG 86 -4.712 9.694 -6.680 479 HH12 ARG 86 1HH2 ARG 86 -6.167 10.599 -6.333 480 HH21 ARG 86 2HH1 ARG 86 -8.296 8.501 -7.998 481 HH22 ARG 86 1HH1 ARG 86 -8.085 9.988 -7.114 482 H LEU 87 H LEU 87 -5.627 2.936 -4.153 483 HA LEU 87 HA LEU 87 -5.783 0.296 -5.448 484 HG LEU 87 HG LEU 87 -3.445 -0.180 -5.508 485 HB2 LEU 87 2HB LEU 87 -4.157 1.432 -3.140 486 HB3 LEU 87 3HB LEU 87 -4.472 -0.247 -3.299 487 HD11 LEU 87 1HD1 LEU 87 -1.812 1.740 -5.909 488 HD12 LEU 87 2HD1 LEU 87 -3.484 1.718 -6.487 489 HD13 LEU 87 3HD1 LEU 87 -3.034 2.647 -5.008 490 HD21 LEU 87 3HD2 LEU 87 -1.686 0.830 -3.242 491 HD22 LEU 87 1HD2 LEU 87 -2.131 -0.869 -3.534 492 HD23 LEU 87 2HD2 LEU 87 -1.093 -0.024 -4.685 493 H ASN 88 H ASN 88 -7.738 2.343 -3.657 494 HA ASN 88 HA ASN 88 -8.484 0.447 -1.624 495 HB2 ASN 88 2HB ASN 88 -8.627 2.891 -1.279 496 HB3 ASN 88 3HB ASN 88 -9.990 2.950 -2.410 497 HD21 ASN 88 2HD2 ASN 88 -11.411 3.635 -0.714 498 HD22 ASN 88 1HD2 ASN 88 -11.761 2.593 0.649 499 H ASN 89 H ASN 89 -9.159 -1.413 -2.331 500 HA ASN 89 HA ASN 89 -10.518 -3.047 -2.923 501 HB2 ASN 89 2HB ASN 89 -12.186 -1.701 -1.727 502 HB3 ASN 89 3HB ASN 89 -12.799 -1.111 -3.271 503 HD21 ASN 89 1HD2 ASN 89 -12.133 -3.979 -1.239 504 HD22 ASN 89 2HD2 ASN 89 -13.353 -5.004 -1.985 505 H ILE 90 H ILE 90 -8.726 -2.726 -4.480 506 HA ILE 90 HA ILE 90 -9.705 -2.708 -7.313 507 HB ILE 90 HB ILE 90 -7.476 -2.106 -8.063 508 HG12 ILE 90 2HG1 ILE 90 -6.381 -1.760 -5.306 509 HG13 ILE 90 3HG1 ILE 90 -6.248 -3.293 -6.109 510 HG21 ILE 90 1HG2 ILE 90 -7.428 0.164 -7.395 511 HG22 ILE 90 2HG2 ILE 90 -9.111 -0.345 -7.446 512 HG23 ILE 90 3HG2 ILE 90 -8.300 -0.175 -5.878 513 HD11 ILE 90 3HD1 ILE 90 -5.245 -0.758 -7.398 514 HD12 ILE 90 1HD1 ILE 90 -4.298 -1.944 -6.479 515 HD13 ILE 90 2HD1 ILE 90 -5.083 -2.443 -7.974 516 H GLU 91 H GLU 91 -9.067 -4.278 -8.687 517 HA GLU 91 HA GLU 91 -8.213 -6.768 -7.441 518 HB2 GLU 91 2HB GLU 91 -9.989 -6.866 -8.930 519 HB3 GLU 91 3HB GLU 91 -9.103 -6.004 -10.155 520 HG2 GLU 91 2HG GLU 91 -7.867 -8.569 -9.254 521 HG3 GLU 91 3HG GLU 91 -9.431 -8.695 -9.976 522 H PHE 92 H PHE 92 -6.450 -7.418 -7.257 523 HA PHE 92 HA PHE 92 -3.971 -6.174 -8.254 524 HD1 PHE 92 HD1 PHE 92 -1.712 -7.463 -7.765 525 HD2 PHE 92 HD2 PHE 92 -3.380 -7.597 -3.781 526 HE1 PHE 92 HE1 PHE 92 0.522 -7.884 -6.841 527 HE2 PHE 92 HE2 PHE 92 -1.113 -7.982 -2.867 528 HZ PHE 92 HZ PHE 92 0.847 -8.001 -4.411 529 HB2 PHE 92 2HB PHE 92 -4.500 -6.248 -5.872 530 HB3 PHE 92 3HB PHE 92 -4.793 -7.865 -5.874 531 H ARG 93 H ARG 93 -3.912 -7.298 -10.302 532 HA ARG 93 HA ARG 93 -3.504 -8.946 -11.800 533 HE ARG 93 HE ARG 93 1.132 -6.941 -12.005 534 HB2 ARG 93 2HB ARG 93 -1.543 -9.777 -9.625 535 HB3 ARG 93 3HB ARG 93 -1.492 -10.348 -11.294 536 HG2 ARG 93 2HG ARG 93 -1.120 -8.067 -12.131 537 HG3 ARG 93 3HG ARG 93 -1.131 -7.443 -10.457 538 HD2 ARG 93 2HD ARG 93 0.742 -8.887 -9.861 539 HD3 ARG 93 3HD ARG 93 0.728 -9.641 -11.465 540 HH11 ARG 93 2HH1 ARG 93 2.847 -9.385 -10.105 541 HH12 ARG 93 1HH1 ARG 93 4.384 -8.549 -10.340 542 HH21 ARG 93 1HH2 ARG 93 3.276 -6.064 -12.297 543 HH22 ARG 93 2HH2 ARG 93 4.590 -6.882 -11.447 544 H GLY 94 H GLY 94 -5.714 -9.660 -9.973 545 HA2 GLY 94 2HA GLY 94 -7.041 -11.716 -10.399 546 HA3 GLY 94 3HA GLY 94 -5.612 -12.666 -10.010 547 H SER 95 H SER 95 -5.384 -10.340 -7.614 548 HA SER 95 HA SER 95 -7.245 -11.717 -5.729 549 HG SER 95 HG SER 95 -4.145 -12.245 -4.228 550 HB2 SER 95 2HB SER 95 -4.597 -10.229 -5.362 551 HB3 SER 95 3HB SER 95 -5.692 -10.649 -4.042 552 H VAL 96 H VAL 96 -7.514 -9.625 -3.984 553 HA VAL 96 HA VAL 96 -7.627 -7.119 -5.443 554 HB VAL 96 HB VAL 96 -9.686 -6.947 -5.974 555 HG11 VAL 96 1HG1 VAL 96 -10.035 -9.228 -6.090 556 HG12 VAL 96 2HG1 VAL 96 -10.418 -9.335 -4.337 557 HG13 VAL 96 3HG1 VAL 96 -11.491 -8.454 -5.476 558 HG21 VAL 96 3HG2 VAL 96 -9.973 -5.511 -4.043 559 HG22 VAL 96 1HG2 VAL 96 -11.450 -6.339 -4.495 560 HG23 VAL 96 2HG2 VAL 96 -10.538 -6.899 -3.081 561 H ILE 97 H ILE 97 -7.547 -5.324 -3.944 562 HA ILE 97 HA ILE 97 -7.271 -5.942 -1.036 563 HB ILE 97 HB ILE 97 -5.481 -4.142 -1.032 564 HG12 ILE 97 2HG1 ILE 97 -5.143 -5.014 -3.924 565 HG13 ILE 97 3HG1 ILE 97 -5.825 -3.461 -3.437 566 HG21 ILE 97 1HG2 ILE 97 -3.678 -5.746 -1.276 567 HG22 ILE 97 2HG2 ILE 97 -4.750 -6.840 -2.201 568 HG23 ILE 97 3HG2 ILE 97 -5.061 -6.502 -0.492 569 HD11 ILE 97 3HD1 ILE 97 -3.546 -3.101 -4.057 570 HD12 ILE 97 1HD1 ILE 97 -3.692 -2.872 -2.312 571 HD13 ILE 97 2HD1 ILE 97 -2.967 -4.368 -2.967 572 H THR 98 H THR 98 -7.856 -4.411 0.315 573 HA THR 98 HA THR 98 -9.182 -1.870 -0.553 574 HB THR 98 HB THR 98 -9.491 -3.552 1.913 575 HG1 THR 98 1HG THR 98 -11.504 -4.106 1.096 576 HG21 THR 98 1HG2 THR 98 -11.217 -1.218 1.057 577 HG22 THR 98 2HG2 THR 98 -11.391 -2.204 2.527 578 HG23 THR 98 3HG2 THR 98 -9.983 -1.151 2.345 579 H VAL 99 H VAL 99 -8.410 -0.005 0.595 580 HA VAL 99 HA VAL 99 -6.038 -0.459 2.313 581 HB VAL 99 HB VAL 99 -4.518 0.805 1.076 582 HG11 VAL 99 1HG1 VAL 99 -4.207 -0.501 -0.928 583 HG12 VAL 99 2HG1 VAL 99 -4.866 -1.557 0.332 584 HG13 VAL 99 3HG1 VAL 99 -5.908 -0.980 -0.963 585 HG21 VAL 99 3HG2 VAL 99 -5.828 2.553 0.171 586 HG22 VAL 99 1HG2 VAL 99 -5.158 1.673 -1.197 587 HG23 VAL 99 2HG2 VAL 99 -6.849 1.406 -0.716 588 H GLU 100 H GLU 100 -5.331 1.196 3.513 589 HA GLU 100 HA GLU 100 -6.838 3.736 3.778 590 HB2 GLU 100 2HB GLU 100 -7.749 3.078 5.995 591 HB3 GLU 100 3HB GLU 100 -8.511 2.138 4.724 592 HG2 GLU 100 2HG GLU 100 -7.242 0.171 5.331 593 HG3 GLU 100 3HG GLU 100 -6.195 1.081 6.410 594 H ARG 101 H ARG 101 -6.158 4.968 5.598 595 HA ARG 101 HA ARG 101 -3.390 4.726 6.344 596 HE ARG 101 HE ARG 101 -7.633 3.983 7.857 597 HB2 ARG 101 2HB ARG 101 -3.717 6.607 7.582 598 HB3 ARG 101 3HB ARG 101 -4.838 6.814 6.270 599 HG2 ARG 101 2HG ARG 101 -5.478 6.048 9.143 600 HG3 ARG 101 3HG ARG 101 -5.792 7.579 8.335 601 HD2 ARG 101 2HD ARG 101 -7.870 6.863 8.057 602 HD3 ARG 101 3HD ARG 101 -7.242 5.972 6.709 603 HH11 ARG 101 1HH2 ARG 101 -7.345 6.364 10.486 604 HH12 ARG 101 2HH2 ARG 101 -8.128 5.267 11.579 605 HH21 ARG 101 2HH1 ARG 101 -8.466 2.704 9.310 606 HH22 ARG 101 1HH1 ARG 101 -8.631 3.212 10.987 607 H ASP 102 H ASP 102 -2.461 4.196 8.341 608 HA ASP 102 HA ASP 102 -4.052 2.393 10.138 609 HB2 ASP 102 2HB ASP 102 -2.264 1.473 8.523 610 HB3 ASP 102 3HB ASP 102 -1.086 2.249 9.564 611 H ASP 103 H ASP 103 -2.324 5.318 10.037 612 HA ASP 103 HA ASP 103 -2.204 5.507 12.991 613 HB2 ASP 103 2HB ASP 103 0.042 6.203 13.019 614 HB3 ASP 103 3HB ASP 103 0.001 4.722 12.088 615 H ASN 104 H ASN 104 -3.887 6.731 10.766 616 HA ASN 104 HA ASN 104 -3.748 9.550 11.648 617 HB2 ASN 104 2HB ASN 104 -2.443 9.078 9.427 618 HB3 ASN 104 3HB ASN 104 -4.023 8.907 8.692 619 HD21 ASN 104 1HD2 ASN 104 -5.439 11.022 9.863 620 HD22 ASN 104 2HD2 ASN 104 -4.671 12.527 9.325 Start of MODEL 6 1 HA PRO 25 HA PRO 25 10.098 16.356 7.725 2 HB2 PRO 25 2HB PRO 25 10.050 15.429 4.817 3 HB3 PRO 25 3HB PRO 25 11.387 16.209 5.726 4 HG2 PRO 25 2HG PRO 25 10.833 13.398 5.457 5 HG3 PRO 25 3HG PRO 25 12.011 14.121 6.595 6 HD2 PRO 25 2HD PRO 25 9.708 12.760 7.420 7 HD3 PRO 25 3HD PRO 25 10.575 13.978 8.374 8 H ALA 26 H ALA 26 9.120 17.178 4.543 9 HA ALA 26 HA ALA 26 7.351 19.311 5.172 10 HB1 ALA 26 1HB ALA 26 6.726 19.135 2.782 11 HB2 ALA 26 2HB ALA 26 8.485 18.947 2.973 12 HB3 ALA 26 3HB ALA 26 7.449 17.519 2.690 13 H LYS 27 H LYS 27 6.783 15.965 4.379 14 HA LYS 27 HA LYS 27 4.499 15.711 6.188 15 HB2 LYS 27 2HB LYS 27 4.171 15.412 3.227 16 HB3 LYS 27 3HB LYS 27 3.881 13.933 4.033 17 HG2 LYS 27 2HG LYS 27 2.472 16.528 4.748 18 HG3 LYS 27 3HG LYS 27 1.846 15.208 3.755 19 HD2 LYS 27 2HD LYS 27 2.303 13.690 5.830 20 HD3 LYS 27 3HD LYS 27 2.383 15.203 6.748 21 HE2 LYS 27 2HE LYS 27 0.061 14.131 5.111 22 HE3 LYS 27 3HE LYS 27 0.194 14.126 6.863 23 HZ1 LYS 27 3HZ LYS 27 0.002 16.562 5.142 24 HZ2 LYS 27 1HZ LYS 27 -1.163 16.001 6.140 25 HZ3 LYS 27 2HZ LYS 27 0.212 16.591 6.782 26 H ARG 28 H ARG 28 4.118 13.513 6.529 27 HA ARG 28 HA ARG 28 5.145 11.357 5.416 28 HE ARG 28 HE ARG 28 6.791 9.210 9.011 29 HB2 ARG 28 2HB ARG 28 6.634 10.184 6.841 30 HB3 ARG 28 3HB ARG 28 7.361 11.552 6.080 31 HG2 ARG 28 2HG ARG 28 8.254 11.354 8.246 32 HG3 ARG 28 3HG ARG 28 7.280 12.824 8.185 33 HD2 ARG 28 2HD ARG 28 7.176 11.534 10.279 34 HD3 ARG 28 3HD ARG 28 5.628 11.943 9.556 35 HH11 ARG 28 1HH2 ARG 28 4.054 11.009 10.358 36 HH12 ARG 28 2HH2 ARG 28 3.193 9.496 10.647 37 HH21 ARG 28 1HH1 ARG 28 5.456 7.405 9.377 38 HH22 ARG 28 2HH1 ARG 28 3.887 7.713 10.148 39 H TYR 29 H TYR 29 4.018 9.734 5.834 40 HA TYR 29 HA TYR 29 1.920 9.792 7.962 41 HD1 TYR 29 HD1 TYR 29 0.702 7.362 5.020 42 HD2 TYR 29 HD2 TYR 29 2.348 11.157 3.689 43 HE1 TYR 29 HE1 TYR 29 1.314 6.330 2.857 44 HE2 TYR 29 HE2 TYR 29 2.747 10.190 1.524 45 HH TYR 29 HH TYR 29 2.003 6.687 0.780 46 HB2 TYR 29 2HB TYR 29 0.227 9.501 6.206 47 HB3 TYR 29 3HB TYR 29 1.106 10.960 5.848 48 H ARG 30 H ARG 30 0.783 7.676 7.918 49 HA ARG 30 HA ARG 30 2.232 5.509 6.469 50 HE ARG 30 HE ARG 30 0.451 2.547 9.789 51 HB2 ARG 30 2HB ARG 30 2.835 5.956 8.987 52 HB3 ARG 30 3HB ARG 30 1.294 5.234 9.320 53 HG2 ARG 30 2HG ARG 30 3.589 3.968 7.741 54 HG3 ARG 30 3HG ARG 30 3.407 3.776 9.474 55 HD2 ARG 30 2HD ARG 30 1.244 2.895 7.550 56 HD3 ARG 30 3HD ARG 30 2.647 1.903 7.877 57 HH11 ARG 30 2HH1 ARG 30 3.554 0.919 9.424 58 HH12 ARG 30 1HH1 ARG 30 3.261 -0.080 10.814 59 HH21 ARG 30 1HH2 ARG 30 0.165 1.322 11.452 60 HH22 ARG 30 2HH2 ARG 30 1.360 0.133 11.975 61 H ILE 31 H ILE 31 0.885 4.131 5.466 62 HA ILE 31 HA ILE 31 -2.028 4.194 6.121 63 HB ILE 31 HB ILE 31 -2.619 3.600 3.856 64 HG12 ILE 31 2HG1 ILE 31 0.224 4.084 2.969 65 HG13 ILE 31 3HG1 ILE 31 -0.456 2.466 3.254 66 HG21 ILE 31 1HG2 ILE 31 -2.173 5.716 2.694 67 HG22 ILE 31 2HG2 ILE 31 -2.631 5.953 4.375 68 HG23 ILE 31 3HG2 ILE 31 -0.931 6.122 3.892 69 HD11 ILE 31 3HD1 ILE 31 -1.346 4.412 1.136 70 HD12 ILE 31 1HD1 ILE 31 -0.571 2.836 0.926 71 HD13 ILE 31 2HD1 ILE 31 -2.225 2.921 1.565 72 H THR 32 H THR 32 -3.139 2.325 5.907 73 HA THR 32 HA THR 32 -1.567 -0.214 6.254 74 HB THR 32 HB THR 32 -4.314 0.699 7.176 75 HG1 THR 32 1HG THR 32 -3.383 0.482 9.204 76 HG21 THR 32 1HG2 THR 32 -4.617 -1.651 6.740 77 HG22 THR 32 2HG2 THR 32 -3.038 -2.069 7.433 78 HG23 THR 32 3HG2 THR 32 -4.364 -1.503 8.474 79 H MET 33 H MET 33 -2.285 -2.047 5.230 80 HA MET 33 HA MET 33 -4.370 -1.804 3.188 81 HB2 MET 33 2HB MET 33 -1.713 -3.255 2.766 82 HB3 MET 33 3HB MET 33 -2.949 -2.932 1.570 83 HG2 MET 33 2HG MET 33 -2.250 -0.553 1.519 84 HG3 MET 33 3HG MET 33 -0.999 -0.877 2.733 85 HE1 MET 33 3HE MET 33 -1.063 -0.066 -0.590 86 HE2 MET 33 1HE MET 33 -0.498 -1.425 -1.598 87 HE3 MET 33 2HE MET 33 -2.144 -1.453 -0.914 88 H LYS 34 H LYS 34 -5.717 -3.443 3.214 89 HA LYS 34 HA LYS 34 -4.814 -6.181 3.585 90 HB2 LYS 34 2HB LYS 34 -6.827 -6.286 5.507 91 HB3 LYS 34 3HB LYS 34 -5.279 -6.456 5.691 92 HG2 LYS 34 2HG LYS 34 -6.169 -4.965 7.392 93 HG3 LYS 34 3HG LYS 34 -5.334 -3.826 6.313 94 HD2 LYS 34 2HD LYS 34 -7.526 -3.599 5.014 95 HD3 LYS 34 3HD LYS 34 -8.293 -4.654 6.180 96 HE2 LYS 34 2HE LYS 34 -7.941 -3.067 7.992 97 HE3 LYS 34 3HE LYS 34 -6.940 -2.035 6.954 98 HZ1 LYS 34 3HZ LYS 34 -9.817 -2.572 6.409 99 HZ2 LYS 34 1HZ LYS 34 -9.228 -1.204 7.126 100 HZ3 LYS 34 2HZ LYS 34 -8.815 -1.501 5.621 101 H ASN 35 H ASN 35 -6.434 -7.712 3.537 102 HA ASN 35 HA ASN 35 -8.917 -7.239 4.107 103 HB2 ASN 35 2HB ASN 35 -9.445 -6.004 2.249 104 HB3 ASN 35 3HB ASN 35 -8.569 -6.993 1.136 105 HD21 ASN 35 1HD2 ASN 35 -9.988 -7.862 -0.283 106 HD22 ASN 35 2HD2 ASN 35 -11.649 -8.349 0.041 107 H LEU 36 H LEU 36 -10.406 -9.347 3.344 108 HA LEU 36 HA LEU 36 -9.250 -11.435 4.689 109 HG LEU 36 HG LEU 36 -11.379 -11.876 5.810 110 HB2 LEU 36 2HB LEU 36 -11.741 -10.820 3.607 111 HB3 LEU 36 3HB LEU 36 -11.333 -12.317 2.785 112 HD11 LEU 36 1HD1 LEU 36 -13.305 -13.370 3.983 113 HD12 LEU 36 2HD1 LEU 36 -13.414 -13.257 5.754 114 HD13 LEU 36 3HD1 LEU 36 -13.612 -11.803 4.768 115 HD21 LEU 36 3HD2 LEU 36 -10.969 -14.430 4.200 116 HD22 LEU 36 1HD2 LEU 36 -9.814 -13.675 5.324 117 HD23 LEU 36 2HD2 LEU 36 -11.306 -14.375 5.942 118 HA PRO 37 HA PRO 37 -8.287 -14.073 0.896 119 HB2 PRO 37 2HB PRO 37 -7.792 -13.058 -1.592 120 HB3 PRO 37 3HB PRO 37 -9.433 -13.407 -0.972 121 HG2 PRO 37 2HG PRO 37 -7.991 -10.745 -1.018 122 HG3 PRO 37 3HG PRO 37 -9.667 -11.106 -1.533 123 HD2 PRO 37 2HD PRO 37 -9.045 -10.076 0.895 124 HD3 PRO 37 3HD PRO 37 -10.419 -11.204 0.685 125 H GLU 38 H GLU 38 -6.405 -11.104 1.353 126 HA GLU 38 HA GLU 38 -3.990 -12.080 0.131 127 HB2 GLU 38 2HB GLU 38 -4.535 -9.812 2.085 128 HB3 GLU 38 3HB GLU 38 -2.919 -10.217 1.568 129 HG2 GLU 38 2HG GLU 38 -3.525 -8.506 0.134 130 HG3 GLU 38 3HG GLU 38 -3.595 -9.976 -0.828 131 H GLY 39 H GLY 39 -2.013 -12.343 1.064 132 HA2 GLY 39 2HA GLY 39 -1.487 -12.784 3.872 133 HA3 GLY 39 3HA GLY 39 -1.265 -14.252 2.876 134 H CYS 40 H CYS 40 -0.847 -10.815 2.110 135 HA CYS 40 HA CYS 40 1.178 -11.212 0.228 136 HG CYS 40 HG CYS 40 1.026 -8.343 2.858 137 HB2 CYS 40 2HB CYS 40 1.215 -8.707 0.195 138 HB3 CYS 40 3HB CYS 40 -0.393 -9.421 0.037 139 H SER 41 H SER 41 3.209 -10.290 0.004 140 HA SER 41 HA SER 41 4.866 -9.792 2.452 141 HG SER 41 HG SER 41 4.704 -12.222 0.005 142 HB2 SER 41 2HB SER 41 6.012 -10.512 -0.236 143 HB3 SER 41 3HB SER 41 6.709 -10.746 1.361 144 H TRP 42 H TRP 42 6.683 -8.142 2.031 145 HA TRP 42 HA TRP 42 5.574 -5.823 0.828 146 HD1 TRP 42 HD1 TRP 42 10.124 -4.449 0.904 147 HE1 TRP 42 HE1 TRP 42 10.009 -2.240 -0.384 148 HE3 TRP 42 HE3 TRP 42 5.010 -3.910 0.591 149 HZ2 TRP 42 HZ2 TRP 42 7.944 -0.660 -1.746 150 HZ3 TRP 42 HZ3 TRP 42 4.038 -2.128 -0.773 151 HH2 TRP 42 HH2 TRP 42 5.485 -0.511 -1.934 152 HB2 TRP 42 2HB TRP 42 7.365 -5.585 2.459 153 HB3 TRP 42 3HB TRP 42 8.499 -6.373 1.369 154 H GLN 43 H GLN 43 7.910 -8.147 -0.542 155 HA GLN 43 HA GLN 43 8.060 -6.827 -2.998 156 HB2 GLN 43 2HB GLN 43 8.858 -8.985 -3.936 157 HB3 GLN 43 3HB GLN 43 9.681 -8.553 -2.447 158 HG2 GLN 43 2HG GLN 43 7.304 -10.458 -2.383 159 HG3 GLN 43 3HG GLN 43 8.891 -11.009 -2.883 160 HE21 GLN 43 1HE2 GLN 43 8.772 -12.517 -1.035 161 HE22 GLN 43 2HE2 GLN 43 9.186 -11.900 0.549 162 H ASP 44 H ASP 44 5.355 -8.583 -1.876 163 HA ASP 44 HA ASP 44 4.224 -9.046 -4.553 164 HB2 ASP 44 2HB ASP 44 3.081 -9.272 -1.740 165 HB3 ASP 44 3HB ASP 44 2.289 -9.613 -3.235 166 H LEU 45 H LEU 45 3.745 -6.921 -1.728 167 HA LEU 45 HA LEU 45 1.640 -5.363 -2.940 168 HG LEU 45 HG LEU 45 1.336 -6.602 -0.445 169 HB2 LEU 45 2HB LEU 45 3.426 -5.224 -0.497 170 HB3 LEU 45 3HB LEU 45 2.472 -3.827 -0.942 171 HD11 LEU 45 1HD1 LEU 45 0.472 -5.414 1.628 172 HD12 LEU 45 2HD1 LEU 45 2.229 -5.629 1.550 173 HD13 LEU 45 3HD1 LEU 45 1.531 -4.039 1.184 174 HD21 LEU 45 3HD2 LEU 45 -0.216 -5.490 -1.905 175 HD22 LEU 45 1HD2 LEU 45 -0.855 -5.233 -0.281 176 HD23 LEU 45 2HD2 LEU 45 0.033 -3.937 -1.123 177 H LYS 46 H LYS 46 5.138 -4.920 -2.759 178 HA LYS 46 HA LYS 46 5.354 -2.352 -4.069 179 HB2 LYS 46 2HB LYS 46 7.246 -3.508 -2.939 180 HB3 LYS 46 3HB LYS 46 7.073 -4.871 -4.035 181 HG2 LYS 46 2HG LYS 46 8.957 -3.693 -4.704 182 HG3 LYS 46 3HG LYS 46 7.736 -3.464 -5.938 183 HD2 LYS 46 2HD LYS 46 8.527 -1.332 -5.852 184 HD3 LYS 46 3HD LYS 46 7.347 -1.183 -4.537 185 HE2 LYS 46 2HE LYS 46 9.199 -1.706 -2.916 186 HE3 LYS 46 3HE LYS 46 10.303 -1.972 -4.255 187 HZ1 LYS 46 3HZ LYS 46 9.028 0.675 -3.731 188 HZ2 LYS 46 1HZ LYS 46 10.565 0.264 -3.297 189 HZ3 LYS 46 2HZ LYS 46 10.110 0.359 -4.868 190 H ASP 47 H ASP 47 5.324 -5.736 -5.319 191 HA ASP 47 HA ASP 47 5.304 -4.996 -8.018 192 HB2 ASP 47 2HB ASP 47 5.109 -7.455 -6.687 193 HB3 ASP 47 3HB ASP 47 3.570 -7.340 -7.467 194 H LEU 48 H LEU 48 2.405 -5.690 -6.047 195 HA LEU 48 HA LEU 48 0.591 -4.875 -7.986 196 HG LEU 48 HG LEU 48 -1.715 -4.180 -7.264 197 HB2 LEU 48 2HB LEU 48 -0.230 -5.949 -6.087 198 HB3 LEU 48 3HB LEU 48 0.292 -4.667 -4.990 199 HD11 LEU 48 1HD1 LEU 48 -3.479 -4.262 -5.428 200 HD12 LEU 48 2HD1 LEU 48 -2.761 -5.766 -5.964 201 HD13 LEU 48 3HD1 LEU 48 -2.250 -5.031 -4.408 202 HD21 LEU 48 3HD2 LEU 48 -0.835 -2.654 -4.859 203 HD22 LEU 48 1HD2 LEU 48 -1.139 -2.123 -6.547 204 HD23 LEU 48 2HD2 LEU 48 -2.487 -2.444 -5.490 205 H ALA 49 H ALA 49 2.169 -2.779 -5.505 206 HA ALA 49 HA ALA 49 0.791 -0.462 -6.134 207 HB1 ALA 49 1HB ALA 49 3.155 0.548 -5.438 208 HB2 ALA 49 2HB ALA 49 2.078 -0.286 -4.279 209 HB3 ALA 49 3HB ALA 49 3.489 -1.127 -5.007 210 H ARG 50 H ARG 50 3.713 -1.699 -7.780 211 HA ARG 50 HA ARG 50 3.879 0.532 -9.650 212 HE ARG 50 HE ARG 50 6.478 -3.773 -8.482 213 HB2 ARG 50 2HB ARG 50 4.890 -2.341 -9.711 214 HB3 ARG 50 3HB ARG 50 5.329 -1.151 -10.934 215 HG2 ARG 50 2HG ARG 50 6.823 -0.116 -9.647 216 HG3 ARG 50 3HG ARG 50 5.766 -0.032 -8.251 217 HD2 ARG 50 2HD ARG 50 7.999 -1.300 -8.246 218 HD3 ARG 50 3HD ARG 50 6.720 -1.752 -7.196 219 HH11 ARG 50 1HH2 ARG 50 8.840 -1.738 -10.081 220 HH12 ARG 50 2HH2 ARG 50 9.357 -3.022 -11.138 221 HH21 ARG 50 1HH1 ARG 50 7.191 -5.388 -9.866 222 HH22 ARG 50 2HH1 ARG 50 8.446 -5.007 -11.016 223 H GLU 51 H GLU 51 2.338 -2.597 -9.736 224 HA GLU 51 HA GLU 51 1.114 -2.540 -12.314 225 HB2 GLU 51 2HB GLU 51 -0.421 -3.430 -9.856 226 HB3 GLU 51 3HB GLU 51 -0.873 -3.661 -11.425 227 HG2 GLU 51 2HG GLU 51 1.775 -4.632 -10.367 228 HG3 GLU 51 3HG GLU 51 0.392 -5.558 -10.041 229 H ASN 52 H ASN 52 0.178 -0.853 -9.468 230 HA ASN 52 HA ASN 52 -2.365 0.076 -10.576 231 HB2 ASN 52 2HB ASN 52 -1.011 -0.494 -8.000 232 HB3 ASN 52 3HB ASN 52 -1.926 0.902 -7.928 233 HD21 ASN 52 2HD2 ASN 52 -1.998 -2.524 -8.656 234 HD22 ASN 52 1HD2 ASN 52 -3.700 -2.731 -8.258 235 H SER 53 H SER 53 0.607 1.615 -9.506 236 HA SER 53 HA SER 53 1.323 3.506 -10.971 237 HG SER 53 HG SER 53 -1.489 3.896 -11.885 238 HB2 SER 53 2HB SER 53 -1.204 4.785 -9.870 239 HB3 SER 53 3HB SER 53 0.171 5.695 -10.492 240 H LEU 54 H LEU 54 0.971 2.423 -7.915 241 HA LEU 54 HA LEU 54 2.137 4.685 -6.453 242 HG LEU 54 HG LEU 54 -0.211 3.196 -4.153 243 HB2 LEU 54 2HB LEU 54 0.795 2.158 -5.793 244 HB3 LEU 54 3HB LEU 54 2.219 2.304 -4.864 245 HD11 LEU 54 1HD1 LEU 54 2.536 4.116 -3.180 246 HD12 LEU 54 2HD1 LEU 54 1.064 4.312 -2.234 247 HD13 LEU 54 3HD1 LEU 54 1.648 2.693 -2.604 248 HD21 LEU 54 3HD2 LEU 54 -0.168 5.612 -3.901 249 HD22 LEU 54 1HD2 LEU 54 1.348 5.732 -4.783 250 HD23 LEU 54 2HD2 LEU 54 -0.130 5.188 -5.622 251 H GLU 55 H GLU 55 3.724 4.457 -5.167 252 HA GLU 55 HA GLU 55 5.755 2.509 -4.870 253 HB2 GLU 55 2HB GLU 55 6.516 3.560 -6.966 254 HB3 GLU 55 3HB GLU 55 6.227 5.169 -6.324 255 HG2 GLU 55 2HG GLU 55 8.495 4.798 -6.261 256 HG3 GLU 55 3HG GLU 55 7.996 4.873 -4.621 257 H THR 56 H THR 56 6.902 3.200 -2.865 258 HA THR 56 HA THR 56 6.404 5.943 -1.882 259 HB THR 56 HB THR 56 5.726 5.419 0.284 260 HG1 THR 56 1HG THR 56 5.481 3.284 1.004 261 HG21 THR 56 1HG2 THR 56 3.987 3.649 -1.440 262 HG22 THR 56 2HG2 THR 56 3.578 4.338 0.146 263 HG23 THR 56 3HG2 THR 56 3.820 5.393 -1.215 264 H THR 57 H THR 57 7.676 5.464 0.719 265 HA THR 57 HA THR 57 10.501 5.057 0.001 266 HB THR 57 HB THR 57 9.278 5.175 2.788 267 HG1 THR 57 1HG THR 57 10.107 7.372 1.176 268 HG21 THR 57 1HG2 THR 57 11.991 6.033 1.702 269 HG22 THR 57 2HG2 THR 57 11.408 6.287 3.367 270 HG23 THR 57 3HG2 THR 57 11.649 4.640 2.759 271 H PHE 58 H PHE 58 7.851 3.380 1.727 272 HA PHE 58 HA PHE 58 9.009 0.750 1.616 273 HD1 PHE 58 HD2 PHE 58 8.480 3.601 5.044 274 HD2 PHE 58 HD1 PHE 58 9.415 -0.609 5.184 275 HE1 PHE 58 HE2 PHE 58 7.565 3.460 7.364 276 HE2 PHE 58 HE1 PHE 58 8.476 -0.746 7.475 277 HZ PHE 58 HZ PHE 58 7.554 1.292 8.566 278 HB2 PHE 58 2HB PHE 58 10.309 0.808 3.440 279 HB3 PHE 58 3HB PHE 58 10.160 2.520 3.517 280 H SER 59 H SER 59 7.871 -0.830 2.988 281 HA SER 59 HA SER 59 5.390 0.089 4.293 282 HG SER 59 HG SER 59 3.314 -2.441 2.843 283 HB2 SER 59 2HB SER 59 4.552 -0.677 2.169 284 HB3 SER 59 3HB SER 59 5.508 -2.128 2.276 285 H SER 60 H SER 60 4.835 -1.024 6.036 286 HA SER 60 HA SER 60 6.565 -3.100 7.248 287 HG SER 60 HG SER 60 5.850 -0.436 8.187 288 HB2 SER 60 2HB SER 60 3.977 -1.762 8.112 289 HB3 SER 60 3HB SER 60 4.857 -2.965 9.070 290 H VAL 61 H VAL 61 6.345 -5.016 6.223 291 HA VAL 61 HA VAL 61 3.724 -6.398 6.176 292 HB VAL 61 HB VAL 61 5.498 -6.981 3.841 293 HG11 VAL 61 1HG1 VAL 61 3.410 -7.479 2.721 294 HG12 VAL 61 2HG1 VAL 61 3.263 -8.179 4.333 295 HG13 VAL 61 3HG1 VAL 61 2.474 -6.649 3.954 296 HG21 VAL 61 3HG2 VAL 61 4.332 -5.320 2.402 297 HG22 VAL 61 1HG2 VAL 61 3.731 -4.532 3.863 298 HG23 VAL 61 2HG2 VAL 61 5.476 -4.588 3.538 299 H ASN 62 H ASN 62 4.293 -8.853 5.552 300 HA ASN 62 HA ASN 62 5.303 -10.807 6.002 301 HB2 ASN 62 2HB ASN 62 7.831 -9.244 6.603 302 HB3 ASN 62 3HB ASN 62 7.719 -10.984 6.410 303 HD21 ASN 62 1HD2 ASN 62 8.710 -8.293 4.823 304 HD22 ASN 62 2HD2 ASN 62 8.539 -8.918 3.192 305 H THR 63 H THR 63 5.521 -8.288 8.436 306 HA THR 63 HA THR 63 5.677 -9.872 10.814 307 HB THR 63 HB THR 63 4.399 -7.894 11.799 308 HG1 THR 63 1HG THR 63 3.315 -7.247 9.900 309 HG21 THR 63 1HG2 THR 63 6.839 -7.180 10.105 310 HG22 THR 63 2HG2 THR 63 6.230 -6.295 11.523 311 HG23 THR 63 3HG2 THR 63 6.881 -7.931 11.718 312 H ARG 64 H ARG 64 4.090 -10.992 11.980 313 HA ARG 64 HA ARG 64 1.859 -11.975 10.479 314 HE ARG 64 HE ARG 64 -1.305 -14.630 11.942 315 HB2 ARG 64 2HB ARG 64 3.073 -13.267 12.255 316 HB3 ARG 64 3HB ARG 64 2.376 -12.205 13.473 317 HG2 ARG 64 2HG ARG 64 1.122 -14.264 13.442 318 HG3 ARG 64 3HG ARG 64 0.089 -12.989 12.823 319 HD2 ARG 64 2HD ARG 64 0.839 -13.809 10.449 320 HD3 ARG 64 3HD ARG 64 1.494 -15.215 11.297 321 HH11 ARG 64 1HH2 ARG 64 0.670 -16.243 9.497 322 HH12 ARG 64 2HH2 ARG 64 -0.759 -16.951 8.765 323 HH21 ARG 64 1HH1 ARG 64 -3.003 -15.733 10.946 324 HH22 ARG 64 2HH1 ARG 64 -2.648 -16.729 9.561 325 H ASP 65 H ASP 65 -0.266 -11.659 10.578 326 HA ASP 65 HA ASP 65 -1.554 -9.742 12.409 327 HB2 ASP 65 2HB ASP 65 -0.708 -8.653 10.128 328 HB3 ASP 65 3HB ASP 65 -2.079 -9.501 9.452 329 H PHE 66 H PHE 66 -4.049 -9.976 10.642 330 HA PHE 66 HA PHE 66 -5.177 -12.417 11.439 331 HD1 PHE 66 HD1 PHE 66 -4.910 -9.547 8.143 332 HD2 PHE 66 HD2 PHE 66 -7.317 -13.120 8.251 333 HE1 PHE 66 HE1 PHE 66 -4.730 -9.754 5.660 334 HE2 PHE 66 HE2 PHE 66 -7.150 -13.309 5.784 335 HZ PHE 66 HZ PHE 66 -5.846 -11.635 4.489 336 HB2 PHE 66 2HB PHE 66 -6.991 -11.814 10.236 337 HB3 PHE 66 3HB PHE 66 -6.187 -10.254 10.215 338 H ASP 67 H ASP 67 -3.199 -11.756 8.579 339 HA ASP 67 HA ASP 67 -2.054 -14.332 8.670 340 HB2 ASP 67 2HB ASP 67 -4.208 -14.861 7.331 341 HB3 ASP 67 3HB ASP 67 -3.467 -13.941 6.022 342 H GLY 68 H GLY 68 -2.635 -11.641 6.375 343 HA2 GLY 68 2HA GLY 68 -0.024 -10.573 6.884 344 HA3 GLY 68 3HA GLY 68 -0.037 -11.280 5.281 345 H THR 69 H THR 69 -0.242 -8.565 6.803 346 HA THR 69 HA THR 69 -1.985 -7.003 4.894 347 HB THR 69 HB THR 69 -2.529 -5.538 6.702 348 HG1 THR 69 1HG THR 69 -1.826 -6.267 8.882 349 HG21 THR 69 1HG2 THR 69 -3.780 -7.763 6.442 350 HG22 THR 69 2HG2 THR 69 -2.893 -8.319 7.841 351 HG23 THR 69 3HG2 THR 69 -3.963 -6.905 7.994 352 H GLY 70 H GLY 70 -1.135 -4.921 4.404 353 HA2 GLY 70 2HA GLY 70 1.817 -4.541 4.820 354 HA3 GLY 70 3HA GLY 70 0.929 -3.916 3.436 355 H ALA 71 H ALA 71 2.532 -2.370 5.244 356 HA ALA 71 HA ALA 71 0.491 -0.301 5.372 357 HB1 ALA 71 1HB ALA 71 0.462 -1.389 7.665 358 HB2 ALA 71 2HB ALA 71 2.118 -0.807 7.894 359 HB3 ALA 71 3HB ALA 71 0.780 0.335 7.659 360 H LEU 72 H LEU 72 1.280 1.119 4.069 361 HA LEU 72 HA LEU 72 4.099 1.343 3.259 362 HG LEU 72 HG LEU 72 2.001 1.704 0.216 363 HB2 LEU 72 2HB LEU 72 1.552 2.516 2.385 364 HB3 LEU 72 3HB LEU 72 2.989 3.153 1.847 365 HD11 LEU 72 1HD1 LEU 72 4.755 1.130 1.161 366 HD12 LEU 72 2HD1 LEU 72 4.014 0.047 -0.017 367 HD13 LEU 72 3HD1 LEU 72 4.155 1.745 -0.361 368 HD21 LEU 72 3HD2 LEU 72 0.877 0.190 1.660 369 HD22 LEU 72 1HD2 LEU 72 1.887 -0.676 0.472 370 HD23 LEU 72 2HD2 LEU 72 2.395 -0.549 2.158 371 H GLU 73 H GLU 73 5.184 3.374 3.282 372 HA GLU 73 HA GLU 73 3.948 5.791 4.586 373 HB2 GLU 73 2HB GLU 73 5.010 4.960 6.438 374 HB3 GLU 73 3HB GLU 73 6.431 4.422 5.562 375 HG2 GLU 73 2HG GLU 73 7.399 6.523 5.473 376 HG3 GLU 73 3HG GLU 73 5.879 7.372 5.658 377 H PHE 74 H PHE 74 4.524 7.741 3.602 378 HA PHE 74 HA PHE 74 7.004 7.913 2.009 379 HD1 PHE 74 HD2 PHE 74 7.410 7.265 -0.252 380 HD2 PHE 74 HD1 PHE 74 5.124 10.850 -0.541 381 HE1 PHE 74 HE2 PHE 74 9.027 8.120 -1.933 382 HE2 PHE 74 HE1 PHE 74 6.778 11.790 -2.135 383 HZ PHE 74 HZ PHE 74 8.727 10.418 -2.856 384 HB2 PHE 74 2HB PHE 74 4.637 7.616 0.572 385 HB3 PHE 74 3HB PHE 74 4.521 9.262 0.965 386 HA PRO 75 HA PRO 75 6.919 12.021 3.919 387 HB2 PRO 75 2HB PRO 75 8.880 13.381 2.555 388 HB3 PRO 75 3HB PRO 75 9.190 12.059 3.709 389 HG2 PRO 75 2HG PRO 75 8.919 11.840 0.690 390 HG3 PRO 75 3HG PRO 75 10.273 11.260 1.724 391 HD2 PRO 75 2HD PRO 75 8.327 9.582 1.007 392 HD3 PRO 75 3HD PRO 75 8.930 9.549 2.674 393 H SER 76 H SER 76 5.223 11.619 1.097 394 HA SER 76 HA SER 76 4.265 14.446 1.293 395 HG SER 76 HG SER 76 5.907 15.017 -1.704 396 HB2 SER 76 2HB SER 76 4.581 12.940 -1.268 397 HB3 SER 76 3HB SER 76 3.854 14.538 -1.089 398 H GLU 77 H GLU 77 2.169 14.368 1.836 399 HA GLU 77 HA GLU 77 0.547 12.112 1.794 400 HB2 GLU 77 2HB GLU 77 -1.348 13.606 2.204 401 HB3 GLU 77 3HB GLU 77 0.062 13.984 3.176 402 HG2 GLU 77 2HG GLU 77 0.598 15.783 1.359 403 HG3 GLU 77 3HG GLU 77 -1.060 15.519 0.805 404 H GLU 78 H GLU 78 1.347 14.002 -0.935 405 HA GLU 78 HA GLU 78 -0.679 13.562 -2.824 406 HB2 GLU 78 2HB GLU 78 2.338 13.177 -3.137 407 HB3 GLU 78 3HB GLU 78 1.192 13.442 -4.455 408 HG2 GLU 78 2HG GLU 78 0.732 15.715 -3.621 409 HG3 GLU 78 3HG GLU 78 1.784 15.451 -2.229 410 H ILE 79 H ILE 79 1.910 11.283 -1.829 411 HA ILE 79 HA ILE 79 1.011 9.151 -3.579 412 HB ILE 79 HB ILE 79 2.993 9.047 -1.274 413 HG12 ILE 79 2HG1 ILE 79 3.186 10.187 -3.988 414 HG13 ILE 79 3HG1 ILE 79 4.012 10.649 -2.553 415 HG21 ILE 79 1HG2 ILE 79 3.930 7.147 -2.378 416 HG22 ILE 79 2HG2 ILE 79 2.221 6.810 -2.122 417 HG23 ILE 79 3HG2 ILE 79 2.811 7.264 -3.743 418 HD11 ILE 79 3HD1 ILE 79 4.692 8.445 -4.564 419 HD12 ILE 79 1HD1 ILE 79 5.608 9.911 -4.201 420 HD13 ILE 79 2HD1 ILE 79 5.545 8.596 -3.014 421 H LEU 80 H LEU 80 0.499 9.970 -0.189 422 HA LEU 80 HA LEU 80 -0.757 7.595 0.666 423 HG LEU 80 HG LEU 80 -3.009 10.233 1.870 424 HB2 LEU 80 2HB LEU 80 -0.287 8.927 2.399 425 HB3 LEU 80 3HB LEU 80 -0.533 10.401 1.565 426 HD11 LEU 80 1HD1 LEU 80 -3.029 7.735 2.382 427 HD12 LEU 80 2HD1 LEU 80 -2.352 8.170 3.973 428 HD13 LEU 80 3HD1 LEU 80 -3.948 8.776 3.487 429 HD21 LEU 80 3HD2 LEU 80 -2.983 10.842 4.231 430 HD22 LEU 80 1HD2 LEU 80 -1.344 10.185 4.402 431 HD23 LEU 80 2HD2 LEU 80 -1.629 11.604 3.371 432 H VAL 81 H VAL 81 -2.109 10.587 -0.761 433 HA VAL 81 HA VAL 81 -4.889 9.712 -0.635 434 HB VAL 81 HB VAL 81 -3.504 11.997 -2.137 435 HG11 VAL 81 1HG1 VAL 81 -6.497 11.535 -1.759 436 HG12 VAL 81 2HG1 VAL 81 -5.764 13.034 -2.372 437 HG13 VAL 81 3HG1 VAL 81 -5.617 11.548 -3.302 438 HG21 VAL 81 3HG2 VAL 81 -4.437 13.462 -0.438 439 HG22 VAL 81 1HG2 VAL 81 -5.257 12.087 0.341 440 HG23 VAL 81 2HG2 VAL 81 -3.488 12.202 0.341 441 H GLU 82 H GLU 82 -2.367 9.691 -3.104 442 HA GLU 82 HA GLU 82 -3.794 8.680 -5.260 443 HB2 GLU 82 2HB GLU 82 -1.077 8.729 -4.041 444 HB3 GLU 82 3HB GLU 82 -1.349 7.378 -4.973 445 HG2 GLU 82 2HG GLU 82 -1.481 10.285 -5.740 446 HG3 GLU 82 3HG GLU 82 -0.220 9.148 -6.201 447 H ALA 83 H ALA 83 -1.910 6.627 -2.899 448 HA ALA 83 HA ALA 83 -3.116 4.158 -3.636 449 HB1 ALA 83 1HB ALA 83 -2.076 5.016 -0.920 450 HB2 ALA 83 2HB ALA 83 -2.354 3.335 -1.460 451 HB3 ALA 83 3HB ALA 83 -1.139 4.333 -2.264 452 H LEU 84 H LEU 84 -4.443 6.508 -1.338 453 HA LEU 84 HA LEU 84 -6.583 4.769 -0.310 454 HG LEU 84 HG LEU 84 -4.964 7.726 1.262 455 HB2 LEU 84 2HB LEU 84 -6.407 7.821 -0.381 456 HB3 LEU 84 3HB LEU 84 -7.631 6.931 0.414 457 HD11 LEU 84 1HD1 LEU 84 -5.982 7.574 3.445 458 HD12 LEU 84 2HD1 LEU 84 -7.047 8.397 2.297 459 HD13 LEU 84 3HD1 LEU 84 -7.384 6.709 2.760 460 HD21 LEU 84 3HD2 LEU 84 -4.314 5.430 1.034 461 HD22 LEU 84 1HD2 LEU 84 -4.607 5.752 2.749 462 HD23 LEU 84 2HD2 LEU 84 -5.836 4.875 1.745 463 H GLU 85 H GLU 85 -6.247 6.858 -3.131 464 HA GLU 85 HA GLU 85 -9.022 6.194 -3.835 465 HB2 GLU 85 2HB GLU 85 -6.958 8.042 -5.106 466 HB3 GLU 85 3HB GLU 85 -8.582 7.786 -5.764 467 HG2 GLU 85 2HG GLU 85 -9.601 8.711 -3.756 468 HG3 GLU 85 3HG GLU 85 -8.020 8.944 -3.011 469 H ARG 86 H ARG 86 -5.922 4.818 -4.416 470 HA ARG 86 HA ARG 86 -6.567 3.904 -7.190 471 HE ARG 86 HE ARG 86 -3.978 7.882 -8.619 472 HB2 ARG 86 2HB ARG 86 -4.112 4.821 -5.713 473 HB3 ARG 86 3HB ARG 86 -3.847 3.513 -6.652 474 HG2 ARG 86 2HG ARG 86 -3.326 5.451 -7.933 475 HG3 ARG 86 3HG ARG 86 -4.787 4.779 -8.691 476 HD2 ARG 86 2HD ARG 86 -6.235 6.308 -7.460 477 HD3 ARG 86 3HD ARG 86 -4.854 6.899 -6.524 478 HH11 ARG 86 1HH2 ARG 86 -7.416 7.840 -7.897 479 HH12 ARG 86 2HH2 ARG 86 -7.411 9.526 -7.450 480 HH21 ARG 86 2HH1 ARG 86 -4.172 10.073 -8.404 481 HH22 ARG 86 1HH1 ARG 86 -5.760 10.796 -8.188 482 H LEU 87 H LEU 87 -5.433 2.830 -3.996 483 HA LEU 87 HA LEU 87 -5.564 0.039 -4.818 484 HG LEU 87 HG LEU 87 -3.479 -0.433 -5.058 485 HB2 LEU 87 2HB LEU 87 -3.849 1.527 -2.864 486 HB3 LEU 87 3HB LEU 87 -4.173 -0.157 -2.693 487 HD11 LEU 87 1HD1 LEU 87 -3.553 1.316 -6.242 488 HD12 LEU 87 2HD1 LEU 87 -2.912 2.419 -4.954 489 HD13 LEU 87 3HD1 LEU 87 -1.814 1.375 -5.864 490 HD21 LEU 87 3HD2 LEU 87 -1.379 0.666 -3.160 491 HD22 LEU 87 1HD2 LEU 87 -1.932 -1.034 -3.311 492 HD23 LEU 87 2HD2 LEU 87 -1.025 -0.289 -4.618 493 H ASN 88 H ASN 88 -7.606 2.185 -3.398 494 HA ASN 88 HA ASN 88 -8.365 0.489 -1.179 495 HB2 ASN 88 2HB ASN 88 -8.432 2.964 -1.017 496 HB3 ASN 88 3HB ASN 88 -9.778 2.969 -2.176 497 HD21 ASN 88 2HD2 ASN 88 -11.210 3.839 -0.582 498 HD22 ASN 88 1HD2 ASN 88 -11.634 2.928 0.855 499 H ASN 89 H ASN 89 -9.312 -1.325 -1.510 500 HA ASN 89 HA ASN 89 -10.692 -2.940 -2.064 501 HB2 ASN 89 2HB ASN 89 -12.287 -1.210 -1.112 502 HB3 ASN 89 3HB ASN 89 -12.871 -0.984 -2.759 503 HD21 ASN 89 1HD2 ASN 89 -12.318 -3.338 -0.111 504 HD22 ASN 89 2HD2 ASN 89 -13.586 -4.446 -0.624 505 H ILE 90 H ILE 90 -8.817 -2.658 -3.739 506 HA ILE 90 HA ILE 90 -9.961 -3.051 -6.480 507 HB ILE 90 HB ILE 90 -7.842 -2.336 -7.477 508 HG12 ILE 90 2HG1 ILE 90 -6.330 -1.006 -6.248 509 HG13 ILE 90 3HG1 ILE 90 -6.781 -1.876 -4.750 510 HG21 ILE 90 1HG2 ILE 90 -8.779 -0.225 -5.479 511 HG22 ILE 90 2HG2 ILE 90 -8.227 0.008 -7.155 512 HG23 ILE 90 3HG2 ILE 90 -9.792 -0.743 -6.850 513 HD11 ILE 90 3HD1 ILE 90 -5.757 -3.872 -5.679 514 HD12 ILE 90 1HD1 ILE 90 -5.723 -3.163 -7.314 515 HD13 ILE 90 2HD1 ILE 90 -4.685 -2.506 -6.048 516 H GLU 91 H GLU 91 -9.481 -4.765 -7.629 517 HA GLU 91 HA GLU 91 -8.582 -7.043 -6.173 518 HB2 GLU 91 2HB GLU 91 -10.306 -7.463 -7.533 519 HB3 GLU 91 3HB GLU 91 -9.634 -6.574 -8.860 520 HG2 GLU 91 2HG GLU 91 -7.999 -8.938 -8.081 521 HG3 GLU 91 3HG GLU 91 -9.653 -9.303 -8.482 522 H PHE 92 H PHE 92 -6.842 -7.714 -5.790 523 HA PHE 92 HA PHE 92 -4.419 -6.575 -6.914 524 HD1 PHE 92 HD2 PHE 92 -2.092 -8.182 -6.503 525 HD2 PHE 92 HD1 PHE 92 -3.493 -7.588 -2.461 526 HE1 PHE 92 HE2 PHE 92 0.202 -8.389 -5.675 527 HE2 PHE 92 HE1 PHE 92 -1.162 -7.739 -1.648 528 HZ PHE 92 HZ PHE 92 0.700 -8.026 -3.296 529 HB2 PHE 92 2HB PHE 92 -4.781 -6.670 -4.498 530 HB3 PHE 92 3HB PHE 92 -5.036 -8.311 -4.488 531 H ARG 93 H ARG 93 -4.574 -7.675 -8.974 532 HA ARG 93 HA ARG 93 -4.236 -9.308 -10.521 533 HE ARG 93 HE ARG 93 0.201 -8.654 -11.405 534 HB2 ARG 93 2HB ARG 93 -1.973 -8.699 -9.422 535 HB3 ARG 93 3HB ARG 93 -2.062 -10.279 -8.646 536 HG2 ARG 93 2HG ARG 93 -2.245 -11.270 -11.029 537 HG3 ARG 93 3HG ARG 93 -1.927 -9.655 -11.652 538 HD2 ARG 93 2HD ARG 93 -0.096 -11.042 -9.649 539 HD3 ARG 93 3HD ARG 93 0.027 -11.341 -11.385 540 HH11 ARG 93 2HH2 ARG 93 1.986 -10.884 -9.290 541 HH12 ARG 93 1HH2 ARG 93 3.393 -9.816 -9.377 542 HH21 ARG 93 1HH1 ARG 93 2.025 -7.575 -11.473 543 HH22 ARG 93 2HH1 ARG 93 3.444 -8.121 -10.527 544 H GLY 94 H GLY 94 -6.221 -10.108 -8.523 545 HA2 GLY 94 2HA GLY 94 -7.405 -12.326 -8.925 546 HA3 GLY 94 3HA GLY 94 -5.917 -13.089 -8.374 547 H SER 95 H SER 95 -5.781 -10.676 -6.185 548 HA SER 95 HA SER 95 -7.827 -11.829 -4.336 549 HG SER 95 HG SER 95 -4.827 -12.510 -4.498 550 HB2 SER 95 2HB SER 95 -5.206 -10.402 -3.730 551 HB3 SER 95 3HB SER 95 -6.363 -11.105 -2.567 552 H VAL 96 H VAL 96 -7.485 -9.331 -2.658 553 HA VAL 96 HA VAL 96 -7.879 -7.078 -4.261 554 HB VAL 96 HB VAL 96 -10.053 -7.155 -4.816 555 HG11 VAL 96 1HG1 VAL 96 -11.852 -8.296 -3.691 556 HG12 VAL 96 2HG1 VAL 96 -10.541 -9.315 -4.274 557 HG13 VAL 96 3HG1 VAL 96 -10.652 -8.940 -2.519 558 HG21 VAL 96 3HG2 VAL 96 -9.936 -5.245 -3.251 559 HG22 VAL 96 1HG2 VAL 96 -11.545 -5.929 -3.483 560 HG23 VAL 96 2HG2 VAL 96 -10.645 -6.278 -1.993 561 H ILE 97 H ILE 97 -7.329 -5.353 -2.985 562 HA ILE 97 HA ILE 97 -7.240 -5.712 -0.002 563 HB ILE 97 HB ILE 97 -5.477 -3.826 -0.159 564 HG12 ILE 97 2HG1 ILE 97 -5.248 -4.967 -2.968 565 HG13 ILE 97 3HG1 ILE 97 -5.769 -3.325 -2.568 566 HG21 ILE 97 1HG2 ILE 97 -4.738 -6.602 -1.041 567 HG22 ILE 97 2HG2 ILE 97 -3.687 -5.425 -0.190 568 HG23 ILE 97 3HG2 ILE 97 -5.091 -6.124 0.617 569 HD11 ILE 97 3HD1 ILE 97 -3.496 -3.012 -1.451 570 HD12 ILE 97 1HD1 ILE 97 -3.011 -4.539 -2.235 571 HD13 ILE 97 2HD1 ILE 97 -3.496 -3.146 -3.224 572 H THR 98 H THR 98 -7.572 -3.952 1.319 573 HA THR 98 HA THR 98 -8.969 -1.527 0.214 574 HB THR 98 HB THR 98 -9.372 -3.001 2.811 575 HG1 THR 98 1HG THR 98 -10.362 -4.094 1.150 576 HG21 THR 98 1HG2 THR 98 -11.088 -0.740 1.768 577 HG22 THR 98 2HG2 THR 98 -11.208 -1.582 3.317 578 HG23 THR 98 3HG2 THR 98 -9.822 -0.529 3.003 579 H VAL 99 H VAL 99 -8.190 0.430 1.111 580 HA VAL 99 HA VAL 99 -5.890 0.221 2.949 581 HB VAL 99 HB VAL 99 -4.329 1.362 1.560 582 HG11 VAL 99 1HG1 VAL 99 -3.882 -0.232 -0.181 583 HG12 VAL 99 2HG1 VAL 99 -4.502 -1.112 1.216 584 HG13 VAL 99 3HG1 VAL 99 -5.551 -0.828 -0.170 585 HG21 VAL 99 3HG2 VAL 99 -4.877 1.811 -0.840 586 HG22 VAL 99 1HG2 VAL 99 -6.574 1.441 -0.444 587 HG23 VAL 99 2HG2 VAL 99 -5.760 2.831 0.293 588 H GLU 100 H GLU 100 -5.209 2.021 3.951 589 HA GLU 100 HA GLU 100 -6.743 4.566 3.725 590 HB2 GLU 100 2HB GLU 100 -7.792 4.244 5.984 591 HB3 GLU 100 3HB GLU 100 -8.445 3.148 4.788 592 HG2 GLU 100 2HG GLU 100 -6.219 1.843 6.172 593 HG3 GLU 100 3HG GLU 100 -7.279 2.581 7.352 594 H ARG 101 H ARG 101 -6.153 6.163 5.066 595 HA ARG 101 HA ARG 101 -3.537 6.390 6.175 596 HE ARG 101 HE ARG 101 -5.866 10.558 7.501 597 HB2 ARG 101 2HB ARG 101 -4.363 8.430 7.115 598 HB3 ARG 101 3HB ARG 101 -4.926 8.268 5.467 599 HG2 ARG 101 2HG ARG 101 -7.088 7.223 6.681 600 HG3 ARG 101 3HG ARG 101 -6.477 8.166 8.042 601 HD2 ARG 101 2HD ARG 101 -6.867 9.413 5.284 602 HD3 ARG 101 3HD ARG 101 -8.227 9.181 6.376 603 HH11 ARG 101 1HH1 ARG 101 -8.944 11.197 5.917 604 HH12 ARG 101 2HH1 ARG 101 -9.094 12.751 6.693 605 HH21 ARG 101 1HH2 ARG 101 -6.238 12.337 8.601 606 HH22 ARG 101 2HH2 ARG 101 -7.552 13.422 8.172 607 H ASP 102 H ASP 102 -2.667 5.898 8.004 608 HA ASP 102 HA ASP 102 -4.268 4.478 10.090 609 HB2 ASP 102 2HB ASP 102 -2.885 3.080 8.567 610 HB3 ASP 102 3HB ASP 102 -1.448 3.939 9.112 611 H ASP 103 H ASP 103 -1.979 7.073 9.646 612 HA ASP 103 HA ASP 103 -1.978 7.495 12.595 613 HB2 ASP 103 2HB ASP 103 0.322 7.890 12.724 614 HB3 ASP 103 3HB ASP 103 0.154 6.380 11.842 615 H ASN 104 H ASN 104 -2.788 8.859 9.683 616 HA ASN 104 HA ASN 104 -2.778 11.627 10.719 617 HB2 ASN 104 2HB ASN 104 -0.608 11.399 9.569 618 HB3 ASN 104 3HB ASN 104 -1.391 10.693 8.161 619 HD21 ASN 104 1HD2 ASN 104 -2.970 12.070 7.044 620 HD22 ASN 104 2HD2 ASN 104 -2.624 13.794 6.897 Start of MODEL 7 1 HA PRO 25 HA PRO 25 9.576 17.006 5.778 2 HB2 PRO 25 2HB PRO 25 8.376 15.689 3.304 3 HB3 PRO 25 3HB PRO 25 9.555 17.048 3.367 4 HG2 PRO 25 2HG PRO 25 10.362 14.430 3.226 5 HG3 PRO 25 3HG PRO 25 11.265 15.635 4.183 6 HD2 PRO 25 2HD PRO 25 9.742 13.349 5.207 7 HD3 PRO 25 3HD PRO 25 10.803 14.482 6.068 8 H ALA 26 H ALA 26 7.022 17.178 3.542 9 HA ALA 26 HA ALA 26 5.333 18.938 5.019 10 HB1 ALA 26 1HB ALA 26 5.418 18.762 2.553 11 HB2 ALA 26 2HB ALA 26 4.799 17.098 2.635 12 HB3 ALA 26 3HB ALA 26 3.767 18.458 3.138 13 H LYS 27 H LYS 27 5.455 15.461 4.736 14 HA LYS 27 HA LYS 27 3.713 14.912 7.082 15 HB2 LYS 27 2HB LYS 27 3.213 14.324 4.156 16 HB3 LYS 27 3HB LYS 27 2.939 12.975 5.210 17 HG2 LYS 27 2HG LYS 27 1.607 15.685 5.574 18 HG3 LYS 27 3HG LYS 27 0.963 14.321 4.676 19 HD2 LYS 27 2HD LYS 27 1.402 12.972 6.927 20 HD3 LYS 27 3HD LYS 27 1.335 14.581 7.664 21 HE2 LYS 27 2HE LYS 27 -0.782 13.334 5.841 22 HE3 LYS 27 3HE LYS 27 -0.880 13.398 7.597 23 HZ1 LYS 27 3HZ LYS 27 -0.794 15.811 5.855 24 HZ2 LYS 27 1HZ LYS 27 -2.132 15.206 6.528 25 HZ3 LYS 27 2HZ LYS 27 -0.960 15.820 7.485 26 H ARG 28 H ARG 28 3.778 12.775 7.684 27 HA ARG 28 HA ARG 28 5.443 10.766 6.466 28 HE ARG 28 HE ARG 28 8.598 9.315 7.846 29 HB2 ARG 28 2HB ARG 28 6.017 11.791 9.301 30 HB3 ARG 28 3HB ARG 28 6.432 10.180 8.750 31 HG2 ARG 28 2HG ARG 28 7.766 11.325 6.838 32 HG3 ARG 28 3HG ARG 28 7.599 12.789 7.839 33 HD2 ARG 28 2HD ARG 28 9.646 11.882 8.484 34 HD3 ARG 28 3HD ARG 28 8.494 11.460 9.770 35 HH11 ARG 28 1HH1 ARG 28 10.692 10.593 10.368 36 HH12 ARG 28 2HH1 ARG 28 11.487 9.052 10.564 37 HH21 ARG 28 1HH2 ARG 28 9.562 7.514 8.131 38 HH22 ARG 28 2HH2 ARG 28 10.877 7.301 9.290 39 H TYR 29 H TYR 29 2.950 10.802 6.230 40 HA TYR 29 HA TYR 29 1.263 9.733 8.331 41 HD1 TYR 29 HD2 TYR 29 0.050 7.236 5.526 42 HD2 TYR 29 HD1 TYR 29 1.756 10.903 3.967 43 HE1 TYR 29 HE2 TYR 29 0.682 6.055 3.450 44 HE2 TYR 29 HE1 TYR 29 2.117 9.791 1.864 45 HH TYR 29 HH TYR 29 1.450 6.252 1.359 46 HB2 TYR 29 2HB TYR 29 -0.350 9.458 6.604 47 HB3 TYR 29 3HB TYR 29 0.538 10.878 6.105 48 H ARG 30 H ARG 30 0.255 7.625 8.342 49 HA ARG 30 HA ARG 30 1.779 5.483 6.965 50 HE ARG 30 HE ARG 30 1.826 2.670 10.994 51 HB2 ARG 30 2HB ARG 30 2.505 6.106 9.419 52 HB3 ARG 30 3HB ARG 30 1.097 5.223 9.879 53 HG2 ARG 30 2HG ARG 30 3.332 4.158 8.070 54 HG3 ARG 30 3HG ARG 30 3.370 4.009 9.828 55 HD2 ARG 30 2HD ARG 30 1.207 2.819 8.070 56 HD3 ARG 30 3HD ARG 30 2.647 1.959 8.631 57 HH11 ARG 30 1HH1 ARG 30 -0.357 1.615 8.460 58 HH12 ARG 30 2HH1 ARG 30 -1.581 1.123 9.595 59 HH21 ARG 30 1HH2 ARG 30 0.234 2.104 12.369 60 HH22 ARG 30 2HH2 ARG 30 -1.327 1.643 11.753 61 H ILE 31 H ILE 31 0.428 4.332 5.813 62 HA ILE 31 HA ILE 31 -2.450 4.115 6.617 63 HB ILE 31 HB ILE 31 -2.925 3.250 4.371 64 HG12 ILE 31 2HG1 ILE 31 -0.068 3.920 3.680 65 HG13 ILE 31 3HG1 ILE 31 -0.699 2.276 3.903 66 HG21 ILE 31 1HG2 ILE 31 -3.187 5.616 4.817 67 HG22 ILE 31 2HG2 ILE 31 -1.521 5.927 4.295 68 HG23 ILE 31 3HG2 ILE 31 -2.734 5.325 3.147 69 HD11 ILE 31 3HD1 ILE 31 -1.437 4.219 1.697 70 HD12 ILE 31 1HD1 ILE 31 -0.633 2.654 1.553 71 HD13 ILE 31 2HD1 ILE 31 -2.340 2.716 2.039 72 H THR 32 H THR 32 -3.532 2.201 6.319 73 HA THR 32 HA THR 32 -1.993 -0.346 6.757 74 HB THR 32 HB THR 32 -4.800 0.520 7.584 75 HG1 THR 32 1HG THR 32 -3.994 0.455 9.607 76 HG21 THR 32 1HG2 THR 32 -4.884 -1.888 7.116 77 HG22 THR 32 2HG2 THR 32 -3.368 -2.160 7.994 78 HG23 THR 32 3HG2 THR 32 -4.839 -1.672 8.867 79 H MET 33 H MET 33 -2.539 -2.076 5.541 80 HA MET 33 HA MET 33 -4.682 -1.847 3.542 81 HB2 MET 33 2HB MET 33 -1.881 -2.854 2.823 82 HB3 MET 33 3HB MET 33 -3.227 -2.532 1.742 83 HG2 MET 33 2HG MET 33 -2.923 -0.057 2.724 84 HG3 MET 33 3HG MET 33 -1.330 -0.680 3.095 85 HE1 MET 33 3HE MET 33 -1.778 -2.533 -0.022 86 HE2 MET 33 1HE MET 33 -0.387 -1.675 -0.735 87 HE3 MET 33 2HE MET 33 -0.309 -2.272 0.934 88 H LYS 34 H LYS 34 -5.992 -3.509 3.669 89 HA LYS 34 HA LYS 34 -4.961 -6.275 3.818 90 HB2 LYS 34 2HB LYS 34 -7.043 -6.410 5.717 91 HB3 LYS 34 3HB LYS 34 -5.482 -6.682 5.905 92 HG2 LYS 34 2HG LYS 34 -6.260 -5.184 7.660 93 HG3 LYS 34 3HG LYS 34 -5.429 -4.042 6.577 94 HD2 LYS 34 2HD LYS 34 -7.665 -3.732 5.371 95 HD3 LYS 34 3HD LYS 34 -8.409 -4.804 6.533 96 HE2 LYS 34 2HE LYS 34 -7.990 -3.275 8.367 97 HE3 LYS 34 3HE LYS 34 -7.021 -2.216 7.326 98 HZ1 LYS 34 3HZ LYS 34 -9.901 -2.764 6.831 99 HZ2 LYS 34 1HZ LYS 34 -9.323 -1.413 7.577 100 HZ3 LYS 34 2HZ LYS 34 -8.927 -1.655 6.061 101 H ASN 35 H ASN 35 -6.611 -7.876 3.688 102 HA ASN 35 HA ASN 35 -9.066 -7.317 4.330 103 HB2 ASN 35 2HB ASN 35 -9.767 -6.008 2.626 104 HB3 ASN 35 3HB ASN 35 -8.850 -6.815 1.399 105 HD21 ASN 35 2HD2 ASN 35 -9.752 -8.300 0.109 106 HD22 ASN 35 1HD2 ASN 35 -11.402 -8.891 0.268 107 H LEU 36 H LEU 36 -7.996 -9.448 1.574 108 HA LEU 36 HA LEU 36 -9.502 -11.655 2.738 109 HG LEU 36 HG LEU 36 -10.349 -11.031 0.278 110 HB2 LEU 36 2HB LEU 36 -7.795 -11.274 0.295 111 HB3 LEU 36 3HB LEU 36 -8.033 -12.917 0.871 112 HD11 LEU 36 1HD1 LEU 36 -10.645 -12.367 -1.779 113 HD12 LEU 36 2HD1 LEU 36 -9.120 -11.485 -1.767 114 HD13 LEU 36 3HD1 LEU 36 -9.128 -13.231 -1.430 115 HD21 LEU 36 3HD2 LEU 36 -11.669 -13.138 0.204 116 HD22 LEU 36 1HD2 LEU 36 -10.234 -14.050 0.714 117 HD23 LEU 36 2HD2 LEU 36 -10.993 -12.863 1.803 118 HA PRO 37 HA PRO 37 -6.325 -13.518 5.328 119 HB2 PRO 37 2HB PRO 37 -7.456 -16.119 4.288 120 HB3 PRO 37 3HB PRO 37 -7.062 -15.638 5.968 121 HG2 PRO 37 2HG PRO 37 -9.616 -15.601 5.083 122 HG3 PRO 37 3HG PRO 37 -8.997 -14.234 6.072 123 HD2 PRO 37 2HD PRO 37 -9.261 -14.400 3.051 124 HD3 PRO 37 3HD PRO 37 -9.775 -13.099 4.171 125 H GLU 38 H GLU 38 -4.773 -12.570 3.782 126 HA GLU 38 HA GLU 38 -3.311 -14.677 2.318 127 HB2 GLU 38 2HB GLU 38 -4.705 -12.913 0.990 128 HB3 GLU 38 3HB GLU 38 -3.451 -11.781 1.484 129 HG2 GLU 38 2HG GLU 38 -2.105 -14.066 0.335 130 HG3 GLU 38 3HG GLU 38 -3.495 -13.748 -0.669 131 H GLY 39 H GLY 39 -2.826 -12.494 4.717 132 HA2 GLY 39 2HA GLY 39 -0.977 -11.856 5.726 133 HA3 GLY 39 3HA GLY 39 -0.507 -13.549 5.605 134 H CYS 40 H CYS 40 -0.710 -10.843 3.368 135 HA CYS 40 HA CYS 40 1.115 -11.379 1.491 136 HG CYS 40 HG CYS 40 -1.204 -10.356 0.598 137 HB2 CYS 40 2HB CYS 40 0.788 -8.529 2.510 138 HB3 CYS 40 3HB CYS 40 1.039 -9.098 0.853 139 H SER 41 H SER 41 3.155 -10.231 0.864 140 HA SER 41 HA SER 41 5.048 -9.754 3.136 141 HG SER 41 HG SER 41 4.952 -12.484 1.969 142 HB2 SER 41 2HB SER 41 5.606 -10.977 0.408 143 HB3 SER 41 3HB SER 41 6.864 -10.429 1.522 144 H TRP 42 H TRP 42 6.737 -8.143 2.728 145 HA TRP 42 HA TRP 42 5.649 -5.845 1.522 146 HD1 TRP 42 HD1 TRP 42 10.109 -4.281 2.055 147 HE1 TRP 42 HE1 TRP 42 9.991 -1.987 0.920 148 HE3 TRP 42 HE3 TRP 42 5.033 -4.021 1.131 149 HZ2 TRP 42 HZ2 TRP 42 8.016 -0.386 -0.460 150 HZ3 TRP 42 HZ3 TRP 42 4.129 -2.216 -0.227 151 HH2 TRP 42 HH2 TRP 42 5.557 -0.421 -1.049 152 HB2 TRP 42 2HB TRP 42 7.382 -5.680 3.228 153 HB3 TRP 42 3HB TRP 42 8.558 -6.362 2.128 154 H GLN 43 H GLN 43 7.969 -8.173 0.070 155 HA GLN 43 HA GLN 43 8.191 -6.627 -2.240 156 HB2 GLN 43 2HB GLN 43 9.460 -8.348 -3.151 157 HB3 GLN 43 3HB GLN 43 9.577 -8.692 -1.442 158 HG2 GLN 43 2HG GLN 43 9.150 -10.803 -2.291 159 HG3 GLN 43 3HG GLN 43 7.532 -10.305 -1.829 160 HE21 GLN 43 2HE2 GLN 43 6.184 -11.265 -3.439 161 HE22 GLN 43 1HE2 GLN 43 6.523 -11.132 -5.167 162 H ASP 44 H ASP 44 5.544 -8.528 -1.359 163 HA ASP 44 HA ASP 44 4.351 -8.836 -4.036 164 HB2 ASP 44 2HB ASP 44 3.646 -9.514 -1.166 165 HB3 ASP 44 3HB ASP 44 2.427 -9.400 -2.345 166 H LEU 45 H LEU 45 3.763 -6.977 -1.045 167 HA LEU 45 HA LEU 45 1.647 -5.443 -2.226 168 HG LEU 45 HG LEU 45 1.301 -6.708 0.308 169 HB2 LEU 45 2HB LEU 45 3.356 -5.380 0.261 170 HB3 LEU 45 3HB LEU 45 2.459 -3.944 -0.140 171 HD11 LEU 45 1HD1 LEU 45 0.306 -5.466 2.320 172 HD12 LEU 45 2HD1 LEU 45 2.075 -5.418 2.318 173 HD13 LEU 45 3HD1 LEU 45 1.185 -3.996 1.768 174 HD21 LEU 45 3HD2 LEU 45 -0.234 -5.709 -1.241 175 HD22 LEU 45 1HD2 LEU 45 -0.934 -5.303 0.317 176 HD23 LEU 45 2HD2 LEU 45 0.013 -4.102 -0.586 177 H LYS 46 H LYS 46 5.085 -4.913 -1.981 178 HA LYS 46 HA LYS 46 5.365 -2.227 -3.137 179 HB2 LYS 46 2HB LYS 46 7.091 -3.569 -1.898 180 HB3 LYS 46 3HB LYS 46 7.169 -4.678 -3.263 181 HG2 LYS 46 2HG LYS 46 7.632 -1.696 -3.531 182 HG3 LYS 46 3HG LYS 46 8.910 -2.775 -3.000 183 HD2 LYS 46 2HD LYS 46 7.496 -3.098 -5.692 184 HD3 LYS 46 3HD LYS 46 8.919 -2.137 -5.358 185 HE2 LYS 46 2HE LYS 46 9.938 -4.070 -6.086 186 HE3 LYS 46 3HE LYS 46 9.907 -4.375 -4.354 187 HZ1 LYS 46 3HZ LYS 46 9.174 -6.312 -5.577 188 HZ2 LYS 46 1HZ LYS 46 7.864 -5.772 -4.781 189 HZ3 LYS 46 2HZ LYS 46 8.029 -5.522 -6.395 190 H ASP 47 H ASP 47 5.400 -5.481 -4.579 191 HA ASP 47 HA ASP 47 5.427 -4.535 -7.244 192 HB2 ASP 47 2HB ASP 47 5.044 -7.094 -5.868 193 HB3 ASP 47 3HB ASP 47 3.854 -6.938 -7.095 194 H LEU 48 H LEU 48 2.462 -5.438 -5.416 195 HA LEU 48 HA LEU 48 0.747 -4.513 -7.425 196 HG LEU 48 HG LEU 48 -1.583 -4.020 -6.921 197 HB2 LEU 48 2HB LEU 48 -0.127 -5.732 -5.621 198 HB3 LEU 48 3HB LEU 48 0.197 -4.442 -4.457 199 HD11 LEU 48 1HD1 LEU 48 -3.524 -4.253 -5.231 200 HD12 LEU 48 2HD1 LEU 48 -2.753 -5.712 -5.816 201 HD13 LEU 48 3HD1 LEU 48 -2.366 -5.055 -4.180 202 HD21 LEU 48 3HD2 LEU 48 -1.047 -1.961 -5.885 203 HD22 LEU 48 1HD2 LEU 48 -2.675 -2.368 -5.482 204 HD23 LEU 48 2HD2 LEU 48 -1.404 -2.663 -4.257 205 H ALA 49 H ALA 49 2.137 -2.569 -4.737 206 HA ALA 49 HA ALA 49 0.919 -0.140 -5.403 207 HB1 ALA 49 1HB ALA 49 1.948 0.079 -3.496 208 HB2 ALA 49 2HB ALA 49 3.246 -1.087 -3.864 209 HB3 ALA 49 3HB ALA 49 3.392 0.560 -4.446 210 H ARG 50 H ARG 50 3.826 -1.565 -6.903 211 HA ARG 50 HA ARG 50 4.300 0.738 -8.610 212 HE ARG 50 HE ARG 50 8.606 0.020 -6.634 213 HB2 ARG 50 2HB ARG 50 5.363 -1.904 -9.464 214 HB3 ARG 50 3HB ARG 50 6.096 -0.304 -9.514 215 HG2 ARG 50 2HG ARG 50 5.806 -2.197 -7.226 216 HG3 ARG 50 3HG ARG 50 7.252 -1.697 -7.878 217 HD2 ARG 50 2HD ARG 50 5.627 0.399 -6.517 218 HD3 ARG 50 3HD ARG 50 6.591 -0.739 -5.602 219 HH11 ARG 50 2HH1 ARG 50 5.995 2.352 -7.319 220 HH12 ARG 50 1HH1 ARG 50 7.197 3.439 -8.005 221 HH21 ARG 50 2HH2 ARG 50 9.920 1.614 -7.480 222 HH22 ARG 50 1HH2 ARG 50 9.159 3.115 -7.998 223 H GLU 51 H GLU 51 2.384 -2.193 -8.866 224 HA GLU 51 HA GLU 51 1.564 -2.050 -11.622 225 HB2 GLU 51 2HB GLU 51 -0.118 -3.045 -9.305 226 HB3 GLU 51 3HB GLU 51 -0.487 -3.226 -10.931 227 HG2 GLU 51 2HG GLU 51 2.051 -4.255 -9.629 228 HG3 GLU 51 3HG GLU 51 0.655 -5.207 -9.613 229 H ASN 52 H ASN 52 0.580 -0.409 -8.792 230 HA ASN 52 HA ASN 52 -1.920 0.534 -9.986 231 HB2 ASN 52 2HB ASN 52 -0.705 -0.122 -7.347 232 HB3 ASN 52 3HB ASN 52 -1.772 1.140 -7.282 233 HD21 ASN 52 2HD2 ASN 52 -1.409 -2.166 -8.239 234 HD22 ASN 52 1HD2 ASN 52 -3.083 -2.579 -7.905 235 H SER 53 H SER 53 0.914 2.154 -8.547 236 HA SER 53 HA SER 53 1.086 4.509 -9.812 237 HG SER 53 HG SER 53 -1.099 6.989 -8.124 238 HB2 SER 53 2HB SER 53 -1.222 5.180 -9.569 239 HB3 SER 53 3HB SER 53 -1.185 4.805 -7.838 240 H LEU 54 H LEU 54 1.358 2.797 -6.899 241 HA LEU 54 HA LEU 54 2.259 5.061 -5.231 242 HG LEU 54 HG LEU 54 -0.058 2.575 -4.279 243 HB2 LEU 54 2HB LEU 54 2.068 2.133 -4.781 244 HB3 LEU 54 3HB LEU 54 2.759 3.125 -3.576 245 HD11 LEU 54 1HD1 LEU 54 1.147 3.521 -1.631 246 HD12 LEU 54 2HD1 LEU 54 -0.357 2.633 -1.888 247 HD13 LEU 54 3HD1 LEU 54 1.189 1.839 -2.149 248 HD21 LEU 54 3HD2 LEU 54 0.000 4.995 -4.842 249 HD22 LEU 54 1HD2 LEU 54 -1.005 4.617 -3.465 250 HD23 LEU 54 2HD2 LEU 54 0.594 5.337 -3.193 251 H GLU 55 H GLU 55 4.093 5.256 -4.369 252 HA GLU 55 HA GLU 55 6.534 3.806 -5.000 253 HB2 GLU 55 2HB GLU 55 6.200 5.282 -6.966 254 HB3 GLU 55 3HB GLU 55 6.245 6.707 -5.921 255 HG2 GLU 55 2HG GLU 55 8.497 6.446 -5.414 256 HG3 GLU 55 3HG GLU 55 8.487 4.710 -5.651 257 H THR 56 H THR 56 5.442 3.774 -2.737 258 HA THR 56 HA THR 56 5.770 5.981 -0.949 259 HB THR 56 HB THR 56 5.243 4.332 0.779 260 HG1 THR 56 1HG THR 56 5.162 2.191 0.284 261 HG21 THR 56 1HG2 THR 56 3.295 5.121 -0.134 262 HG22 THR 56 2HG2 THR 56 3.473 4.175 -1.634 263 HG23 THR 56 3HG2 THR 56 3.097 3.379 -0.094 264 H THR 57 H THR 57 7.093 5.573 1.220 265 HA THR 57 HA THR 57 9.924 5.281 0.588 266 HB THR 57 HB THR 57 8.647 5.159 3.341 267 HG1 THR 57 1HG THR 57 8.436 7.234 3.372 268 HG21 THR 57 1HG2 THR 57 11.056 4.740 3.325 269 HG22 THR 57 2HG2 THR 57 11.334 6.238 2.407 270 HG23 THR 57 3HG2 THR 57 10.700 6.306 4.066 271 H PHE 58 H PHE 58 7.481 3.426 2.396 272 HA PHE 58 HA PHE 58 8.804 0.854 2.172 273 HD1 PHE 58 HD2 PHE 58 8.571 4.018 5.376 274 HD2 PHE 58 HD1 PHE 58 8.865 -0.244 5.951 275 HE1 PHE 58 HE2 PHE 58 7.650 4.257 7.670 276 HE2 PHE 58 HE1 PHE 58 7.909 -0.006 8.228 277 HZ PHE 58 HZ PHE 58 7.293 2.246 9.085 278 HB2 PHE 58 2HB PHE 58 9.950 0.843 4.085 279 HB3 PHE 58 3HB PHE 58 9.989 2.556 3.917 280 H SER 59 H SER 59 7.794 -0.740 3.695 281 HA SER 59 HA SER 59 5.288 0.079 4.984 282 HG SER 59 HG SER 59 4.213 -3.026 4.400 283 HB2 SER 59 2HB SER 59 4.418 -0.637 2.950 284 HB3 SER 59 3HB SER 59 5.466 -2.047 2.888 285 H SER 60 H SER 60 4.739 -1.197 6.705 286 HA SER 60 HA SER 60 6.582 -3.352 7.656 287 HG SER 60 HG SER 60 4.627 -4.217 9.900 288 HB2 SER 60 2HB SER 60 5.548 -1.628 9.222 289 HB3 SER 60 3HB SER 60 3.982 -2.396 8.886 290 H VAL 61 H VAL 61 6.164 -5.390 6.993 291 HA VAL 61 HA VAL 61 3.424 -6.399 6.789 292 HB VAL 61 HB VAL 61 5.188 -7.358 4.573 293 HG11 VAL 61 1HG1 VAL 61 3.092 -7.724 3.449 294 HG12 VAL 61 2HG1 VAL 61 2.816 -8.230 5.132 295 HG13 VAL 61 3HG1 VAL 61 2.218 -6.676 4.561 296 HG21 VAL 61 3HG2 VAL 61 3.602 -4.785 4.324 297 HG22 VAL 61 1HG2 VAL 61 5.369 -4.953 4.121 298 HG23 VAL 61 2HG2 VAL 61 4.244 -5.717 2.981 299 H ASN 62 H ASN 62 3.708 -8.987 6.471 300 HA ASN 62 HA ASN 62 4.279 -10.900 7.494 301 HB2 ASN 62 2HB ASN 62 7.040 -9.769 6.981 302 HB3 ASN 62 3HB ASN 62 6.829 -11.329 7.759 303 HD21 ASN 62 1HD2 ASN 62 7.244 -9.920 4.774 304 HD22 ASN 62 2HD2 ASN 62 6.593 -11.275 3.823 305 H THR 63 H THR 63 4.368 -8.173 9.318 306 HA THR 63 HA THR 63 5.274 -9.184 11.855 307 HB THR 63 HB THR 63 3.635 -7.293 12.667 308 HG1 THR 63 1HG THR 63 2.457 -6.841 10.925 309 HG21 THR 63 1HG2 THR 63 6.017 -6.663 10.869 310 HG22 THR 63 2HG2 THR 63 5.304 -5.593 12.103 311 HG23 THR 63 3HG2 THR 63 6.094 -7.099 12.594 312 H ARG 64 H ARG 64 2.815 -10.308 9.997 313 HA ARG 64 HA ARG 64 1.212 -11.807 10.199 314 HE ARG 64 HE ARG 64 1.526 -15.523 8.762 315 HB2 ARG 64 2HB ARG 64 3.374 -12.672 11.782 316 HB3 ARG 64 3HB ARG 64 1.939 -13.078 12.710 317 HG2 ARG 64 2HG ARG 64 2.390 -14.964 11.319 318 HG3 ARG 64 3HG ARG 64 0.995 -14.154 10.607 319 HD2 ARG 64 2HD ARG 64 2.806 -12.952 9.100 320 HD3 ARG 64 3HD ARG 64 3.868 -14.270 9.609 321 HH11 ARG 64 1HH1 ARG 64 3.787 -13.430 7.021 322 HH12 ARG 64 2HH1 ARG 64 2.857 -13.592 5.558 323 HH21 ARG 64 1HH2 ARG 64 0.499 -15.651 6.849 324 HH22 ARG 64 2HH2 ARG 64 1.282 -15.041 5.408 325 H ASP 65 H ASP 65 0.808 -9.321 11.666 326 HA ASP 65 HA ASP 65 -0.891 -8.406 13.157 327 HB2 ASP 65 2HB ASP 65 -1.548 -8.797 10.213 328 HB3 ASP 65 3HB ASP 65 -2.204 -7.515 11.162 329 H PHE 66 H PHE 66 -2.095 -11.064 11.293 330 HA PHE 66 HA PHE 66 -4.316 -11.830 12.876 331 HD1 PHE 66 HD1 PHE 66 -6.566 -12.753 9.743 332 HD2 PHE 66 HD2 PHE 66 -4.227 -9.168 9.260 333 HE1 PHE 66 HE1 PHE 66 -6.674 -13.027 7.301 334 HE2 PHE 66 HE2 PHE 66 -4.335 -9.445 6.784 335 HZ PHE 66 HZ PHE 66 -5.501 -11.403 5.777 336 HB2 PHE 66 2HB PHE 66 -6.180 -11.261 11.614 337 HB3 PHE 66 3HB PHE 66 -5.256 -9.785 11.461 338 H ASP 67 H ASP 67 -2.833 -11.609 9.799 339 HA ASP 67 HA ASP 67 -1.527 -14.150 9.779 340 HB2 ASP 67 2HB ASP 67 -3.694 -14.814 8.690 341 HB3 ASP 67 3HB ASP 67 -3.443 -13.554 7.479 342 H GLY 68 H GLY 68 -2.530 -11.111 8.128 343 HA2 GLY 68 2HA GLY 68 -0.318 -9.669 8.671 344 HA3 GLY 68 3HA GLY 68 0.229 -10.501 7.263 345 H THR 69 H THR 69 -0.692 -7.711 8.118 346 HA THR 69 HA THR 69 -2.188 -6.917 5.659 347 HB THR 69 HB THR 69 -3.001 -5.036 6.749 348 HG1 THR 69 1HG THR 69 -1.145 -5.581 8.815 349 HG21 THR 69 1HG2 THR 69 -4.118 -7.120 7.597 350 HG22 THR 69 2HG2 THR 69 -3.070 -7.045 9.022 351 HG23 THR 69 3HG2 THR 69 -4.203 -5.727 8.704 352 H GLY 70 H GLY 70 -1.368 -4.781 4.844 353 HA2 GLY 70 2HA GLY 70 1.587 -4.398 5.130 354 HA3 GLY 70 3HA GLY 70 0.571 -3.738 3.842 355 H ALA 71 H ALA 71 2.361 -2.343 5.730 356 HA ALA 71 HA ALA 71 0.389 -0.224 6.224 357 HB1 ALA 71 1HB ALA 71 1.380 0.147 8.540 358 HB2 ALA 71 2HB ALA 71 0.440 -1.344 8.376 359 HB3 ALA 71 3HB ALA 71 2.213 -1.394 8.363 360 H LEU 72 H LEU 72 1.049 1.256 4.890 361 HA LEU 72 HA LEU 72 3.872 1.386 3.984 362 HG LEU 72 HG LEU 72 1.595 1.355 0.971 363 HB2 LEU 72 2HB LEU 72 1.344 2.528 2.941 364 HB3 LEU 72 3HB LEU 72 2.845 2.936 2.327 365 HD11 LEU 72 1HD1 LEU 72 4.424 1.115 1.689 366 HD12 LEU 72 2HD1 LEU 72 3.720 -0.348 0.988 367 HD13 LEU 72 3HD1 LEU 72 3.594 1.150 0.107 368 HD21 LEU 72 3HD2 LEU 72 2.191 -0.724 3.061 369 HD22 LEU 72 1HD2 LEU 72 0.619 -0.025 2.689 370 HD23 LEU 72 2HD2 LEU 72 1.477 -0.988 1.472 371 H GLU 73 H GLU 73 4.890 3.459 3.774 372 HA GLU 73 HA GLU 73 3.623 5.869 5.132 373 HB2 GLU 73 2HB GLU 73 5.232 4.787 6.653 374 HB3 GLU 73 3HB GLU 73 6.491 4.930 5.437 375 HG2 GLU 73 2HG GLU 73 5.297 7.551 6.074 376 HG3 GLU 73 3HG GLU 73 5.885 6.728 7.508 377 H PHE 74 H PHE 74 4.232 7.949 4.269 378 HA PHE 74 HA PHE 74 6.461 8.081 2.423 379 HD1 PHE 74 HD2 PHE 74 6.840 7.374 0.306 380 HD2 PHE 74 HD1 PHE 74 4.652 11.005 -0.220 381 HE1 PHE 74 HE2 PHE 74 8.448 8.064 -1.445 382 HE2 PHE 74 HE1 PHE 74 6.285 11.760 -1.914 383 HZ PHE 74 HZ PHE 74 8.188 10.283 -2.552 384 HB2 PHE 74 2HB PHE 74 4.033 7.910 1.082 385 HB3 PHE 74 3HB PHE 74 4.077 9.591 1.480 386 HA PRO 75 HA PRO 75 6.927 12.162 4.219 387 HB2 PRO 75 2HB PRO 75 8.299 13.454 2.122 388 HB3 PRO 75 3HB PRO 75 8.994 12.471 3.452 389 HG2 PRO 75 2HG PRO 75 8.237 11.572 0.665 390 HG3 PRO 75 3HG PRO 75 9.751 11.240 1.578 391 HD2 PRO 75 2HD PRO 75 7.877 9.388 1.553 392 HD3 PRO 75 3HD PRO 75 8.604 9.807 3.111 393 H SER 76 H SER 76 4.888 11.685 1.430 394 HA SER 76 HA SER 76 3.588 14.310 1.997 395 HG SER 76 HG SER 76 4.889 15.352 -1.015 396 HB2 SER 76 2HB SER 76 4.110 13.075 -0.700 397 HB3 SER 76 3HB SER 76 3.053 14.438 -0.437 398 H GLU 77 H GLU 77 1.502 14.168 2.358 399 HA GLU 77 HA GLU 77 0.061 11.776 2.186 400 HB2 GLU 77 2HB GLU 77 -1.980 13.144 2.559 401 HB3 GLU 77 3HB GLU 77 -0.676 13.439 3.681 402 HG2 GLU 77 2HG GLU 77 -0.087 15.448 2.029 403 HG3 GLU 77 3HG GLU 77 -1.742 15.203 1.464 404 H GLU 78 H GLU 78 0.921 13.705 -0.426 405 HA GLU 78 HA GLU 78 -1.075 13.295 -2.375 406 HB2 GLU 78 2HB GLU 78 1.962 12.973 -2.580 407 HB3 GLU 78 3HB GLU 78 0.873 13.153 -3.955 408 HG2 GLU 78 2HG GLU 78 0.305 15.424 -3.289 409 HG3 GLU 78 3HG GLU 78 1.171 15.261 -1.767 410 H ILE 79 H ILE 79 1.505 11.023 -1.305 411 HA ILE 79 HA ILE 79 0.606 8.846 -3.004 412 HB ILE 79 HB ILE 79 2.604 8.879 -0.720 413 HG12 ILE 79 2HG1 ILE 79 2.681 9.854 -3.511 414 HG13 ILE 79 3HG1 ILE 79 3.562 10.371 -2.142 415 HG21 ILE 79 1HG2 ILE 79 1.868 6.560 -1.306 416 HG22 ILE 79 2HG2 ILE 79 2.416 6.842 -2.969 417 HG23 ILE 79 3HG2 ILE 79 3.570 6.847 -1.612 418 HD11 ILE 79 3HD1 ILE 79 5.086 9.567 -3.799 419 HD12 ILE 79 1HD1 ILE 79 5.095 8.348 -2.511 420 HD13 ILE 79 2HD1 ILE 79 4.194 8.050 -4.009 421 H LEU 80 H LEU 80 -0.046 9.808 0.306 422 HA LEU 80 HA LEU 80 -1.320 7.429 1.205 423 HG LEU 80 HG LEU 80 -3.703 9.890 2.329 424 HB2 LEU 80 2HB LEU 80 -0.857 8.903 2.892 425 HB3 LEU 80 3HB LEU 80 -1.297 10.309 1.997 426 HD11 LEU 80 1HD1 LEU 80 -3.467 7.409 2.820 427 HD12 LEU 80 2HD1 LEU 80 -2.826 7.889 4.413 428 HD13 LEU 80 3HD1 LEU 80 -4.480 8.331 3.935 429 HD21 LEU 80 3HD2 LEU 80 -3.726 10.473 4.730 430 HD22 LEU 80 1HD2 LEU 80 -2.001 10.048 4.843 431 HD23 LEU 80 2HD2 LEU 80 -2.525 11.410 3.829 432 H VAL 81 H VAL 81 -2.587 10.382 -0.383 433 HA VAL 81 HA VAL 81 -5.375 9.520 -0.300 434 HB VAL 81 HB VAL 81 -3.935 11.771 -1.804 435 HG11 VAL 81 1HG1 VAL 81 -6.188 12.803 -2.131 436 HG12 VAL 81 2HG1 VAL 81 -6.002 11.303 -3.034 437 HG13 VAL 81 3HG1 VAL 81 -6.941 11.311 -1.527 438 HG21 VAL 81 3HG2 VAL 81 -4.931 13.258 -0.146 439 HG22 VAL 81 1HG2 VAL 81 -5.781 11.890 0.620 440 HG23 VAL 81 2HG2 VAL 81 -4.014 12.004 0.683 441 H GLU 82 H GLU 82 -2.787 9.478 -2.712 442 HA GLU 82 HA GLU 82 -4.147 8.369 -4.853 443 HB2 GLU 82 2HB GLU 82 -1.454 8.417 -3.539 444 HB3 GLU 82 3HB GLU 82 -1.730 7.106 -4.521 445 HG2 GLU 82 2HG GLU 82 -1.638 10.031 -5.190 446 HG3 GLU 82 3HG GLU 82 -0.581 8.747 -5.776 447 H ALA 83 H ALA 83 -2.303 6.462 -2.336 448 HA ALA 83 HA ALA 83 -3.348 3.934 -2.977 449 HB1 ALA 83 1HB ALA 83 -1.516 4.509 -1.330 450 HB2 ALA 83 2HB ALA 83 -2.780 4.860 -0.146 451 HB3 ALA 83 3HB ALA 83 -2.635 3.221 -0.840 452 H LEU 84 H LEU 84 -4.892 6.303 -0.857 453 HA LEU 84 HA LEU 84 -7.069 4.576 0.060 454 HG LEU 84 HG LEU 84 -5.500 7.503 1.714 455 HB2 LEU 84 2HB LEU 84 -6.855 7.623 -0.003 456 HB3 LEU 84 3HB LEU 84 -8.139 6.758 0.730 457 HD11 LEU 84 1HD1 LEU 84 -6.621 7.353 3.849 458 HD12 LEU 84 2HD1 LEU 84 -7.622 8.196 2.664 459 HD13 LEU 84 3HD1 LEU 84 -7.999 6.509 3.089 460 HD21 LEU 84 3HD2 LEU 84 -4.879 5.191 1.499 461 HD22 LEU 84 1HD2 LEU 84 -5.229 5.525 3.201 462 HD23 LEU 84 2HD2 LEU 84 -6.434 4.669 2.155 463 H GLU 85 H GLU 85 -6.600 6.529 -2.812 464 HA GLU 85 HA GLU 85 -9.310 5.714 -3.638 465 HB2 GLU 85 2HB GLU 85 -7.300 7.640 -4.885 466 HB3 GLU 85 3HB GLU 85 -8.897 7.288 -5.568 467 HG2 GLU 85 2HG GLU 85 -10.002 8.287 -3.654 468 HG3 GLU 85 3HG GLU 85 -8.456 8.584 -2.860 469 H ARG 86 H ARG 86 -6.140 4.456 -3.987 470 HA ARG 86 HA ARG 86 -6.531 3.490 -6.797 471 HE ARG 86 HE ARG 86 -4.213 7.605 -8.065 472 HB2 ARG 86 2HB ARG 86 -4.246 4.538 -5.148 473 HB3 ARG 86 3HB ARG 86 -3.826 3.273 -6.050 474 HG2 ARG 86 2HG ARG 86 -3.392 5.411 -7.204 475 HG3 ARG 86 3HG ARG 86 -4.564 4.492 -8.171 476 HD2 ARG 86 2HD ARG 86 -6.417 5.772 -7.265 477 HD3 ARG 86 3HD ARG 86 -5.339 6.536 -6.080 478 HH11 ARG 86 1HH2 ARG 86 -7.686 7.259 -7.662 479 HH12 ARG 86 2HH2 ARG 86 -7.868 8.957 -7.295 480 HH21 ARG 86 2HH1 ARG 86 -4.633 9.774 -7.891 481 HH22 ARG 86 1HH1 ARG 86 -6.293 10.342 -7.849 482 H LEU 87 H LEU 87 -5.425 2.555 -3.551 483 HA LEU 87 HA LEU 87 -5.368 -0.255 -4.311 484 HG LEU 87 HG LEU 87 -3.350 -0.682 -4.291 485 HB2 LEU 87 2HB LEU 87 -3.938 1.377 -2.254 486 HB3 LEU 87 3HB LEU 87 -4.216 -0.321 -2.032 487 HD11 LEU 87 1HD1 LEU 87 -3.462 1.033 -5.562 488 HD12 LEU 87 2HD1 LEU 87 -2.803 2.187 -4.331 489 HD13 LEU 87 3HD1 LEU 87 -1.727 1.055 -5.172 490 HD21 LEU 87 3HD2 LEU 87 -0.952 -0.493 -3.756 491 HD22 LEU 87 1HD2 LEU 87 -1.368 0.564 -2.375 492 HD23 LEU 87 2HD2 LEU 87 -1.902 -1.136 -2.409 493 H ASN 88 H ASN 88 -7.696 1.762 -3.288 494 HA ASN 88 HA ASN 88 -8.553 0.225 -0.979 495 HB2 ASN 88 2HB ASN 88 -8.549 2.733 -1.028 496 HB3 ASN 88 3HB ASN 88 -9.901 2.658 -2.164 497 HD21 ASN 88 2HD2 ASN 88 -11.202 3.741 -0.581 498 HD22 ASN 88 1HD2 ASN 88 -11.702 2.927 0.885 499 H ASN 89 H ASN 89 -9.511 -1.572 -1.225 500 HA ASN 89 HA ASN 89 -10.884 -3.200 -1.709 501 HB2 ASN 89 2HB ASN 89 -12.460 -1.533 -0.768 502 HB3 ASN 89 3HB ASN 89 -13.034 -1.195 -2.397 503 HD21 ASN 89 1HD2 ASN 89 -12.463 -3.759 0.043 504 HD22 ASN 89 2HD2 ASN 89 -13.790 -4.790 -0.484 505 H ILE 90 H ILE 90 -9.080 -3.114 -3.305 506 HA ILE 90 HA ILE 90 -10.047 -3.559 -6.108 507 HB ILE 90 HB ILE 90 -7.730 -2.725 -6.857 508 HG12 ILE 90 2HG1 ILE 90 -6.953 -1.076 -4.998 509 HG13 ILE 90 3HG1 ILE 90 -7.319 -2.448 -3.962 510 HG21 ILE 90 1HG2 ILE 90 -9.291 -0.643 -5.248 511 HG22 ILE 90 2HG2 ILE 90 -8.372 -0.399 -6.744 512 HG23 ILE 90 3HG2 ILE 90 -9.897 -1.296 -6.789 513 HD11 ILE 90 3HD1 ILE 90 -4.996 -2.533 -4.658 514 HD12 ILE 90 1HD1 ILE 90 -5.862 -3.873 -5.435 515 HD13 ILE 90 2HD1 ILE 90 -5.447 -2.418 -6.372 516 H GLU 91 H GLU 91 -9.377 -5.183 -7.199 517 HA GLU 91 HA GLU 91 -8.442 -7.436 -5.698 518 HB2 GLU 91 2HB GLU 91 -10.174 -7.727 -7.183 519 HB3 GLU 91 3HB GLU 91 -9.288 -7.015 -8.493 520 HG2 GLU 91 2HG GLU 91 -8.080 -9.461 -7.259 521 HG3 GLU 91 3HG GLU 91 -9.607 -9.661 -8.028 522 H PHE 92 H PHE 92 -6.705 -8.141 -5.385 523 HA PHE 92 HA PHE 92 -4.245 -7.001 -6.526 524 HD1 PHE 92 HD2 PHE 92 -1.991 -7.836 -6.039 525 HD2 PHE 92 HD1 PHE 92 -3.330 -7.891 -1.932 526 HE1 PHE 92 HE2 PHE 92 0.339 -8.009 -5.279 527 HE2 PHE 92 HE1 PHE 92 -0.957 -8.023 -1.191 528 HZ PHE 92 HZ PHE 92 0.863 -7.939 -2.895 529 HB2 PHE 92 2HB PHE 92 -4.740 -6.739 -4.117 530 HB3 PHE 92 3HB PHE 92 -4.881 -8.367 -3.880 531 H ARG 93 H ARG 93 -4.022 -8.490 -8.329 532 HA ARG 93 HA ARG 93 -3.570 -10.370 -9.473 533 HE ARG 93 HE ARG 93 1.392 -11.494 -4.934 534 HB2 ARG 93 2HB ARG 93 -1.571 -11.575 -8.818 535 HB3 ARG 93 3HB ARG 93 -1.401 -9.839 -8.507 536 HG2 ARG 93 2HG ARG 93 -1.742 -10.157 -6.179 537 HG3 ARG 93 3HG ARG 93 -2.063 -11.896 -6.384 538 HD2 ARG 93 2HD ARG 93 0.269 -12.218 -7.026 539 HD3 ARG 93 3HD ARG 93 0.552 -10.477 -6.982 540 HH11 ARG 93 2HH2 ARG 93 -2.151 -10.992 -4.624 541 HH12 ARG 93 1HH2 ARG 93 -1.975 -11.162 -2.890 542 HH21 ARG 93 1HH1 ARG 93 1.371 -11.657 -2.920 543 HH22 ARG 93 2HH1 ARG 93 -0.124 -11.582 -1.957 544 H GLY 94 H GLY 94 -5.895 -10.716 -7.750 545 HA2 GLY 94 2HA GLY 94 -7.306 -12.731 -7.887 546 HA3 GLY 94 3HA GLY 94 -5.940 -13.694 -7.325 547 H SER 95 H SER 95 -5.612 -11.073 -5.298 548 HA SER 95 HA SER 95 -7.458 -12.061 -3.197 549 HG SER 95 HG SER 95 -4.165 -12.045 -1.937 550 HB2 SER 95 2HB SER 95 -4.822 -10.505 -3.335 551 HB3 SER 95 3HB SER 95 -5.852 -10.497 -1.873 552 H VAL 96 H VAL 96 -7.762 -9.671 -1.893 553 HA VAL 96 HA VAL 96 -7.848 -7.438 -3.726 554 HB VAL 96 HB VAL 96 -9.920 -7.368 -4.307 555 HG11 VAL 96 1HG1 VAL 96 -11.769 -8.684 -3.488 556 HG12 VAL 96 2HG1 VAL 96 -10.356 -9.609 -3.983 557 HG13 VAL 96 3HG1 VAL 96 -10.689 -9.375 -2.236 558 HG21 VAL 96 3HG2 VAL 96 -11.602 -6.375 -2.977 559 HG22 VAL 96 1HG2 VAL 96 -10.719 -6.718 -1.477 560 HG23 VAL 96 2HG2 VAL 96 -10.063 -5.583 -2.679 561 H ILE 97 H ILE 97 -7.640 -5.492 -2.478 562 HA ILE 97 HA ILE 97 -7.351 -5.780 0.481 563 HB ILE 97 HB ILE 97 -5.648 -3.942 0.273 564 HG12 ILE 97 2HG1 ILE 97 -5.317 -5.082 -2.525 565 HG13 ILE 97 3HG1 ILE 97 -5.984 -3.493 -2.166 566 HG21 ILE 97 1HG2 ILE 97 -5.181 -6.237 1.043 567 HG22 ILE 97 2HG2 ILE 97 -4.805 -6.707 -0.621 568 HG23 ILE 97 3HG2 ILE 97 -3.810 -5.487 0.240 569 HD11 ILE 97 3HD1 ILE 97 -3.804 -2.860 -1.100 570 HD12 ILE 97 1HD1 ILE 97 -3.131 -4.415 -1.665 571 HD13 ILE 97 2HD1 ILE 97 -3.693 -3.210 -2.830 572 H THR 98 H THR 98 -7.870 -4.059 1.728 573 HA THR 98 HA THR 98 -9.270 -1.674 0.555 574 HB THR 98 HB THR 98 -9.750 -3.148 3.137 575 HG1 THR 98 1HG THR 98 -11.703 -3.730 2.249 576 HG21 THR 98 1HG2 THR 98 -11.663 -1.705 3.527 577 HG22 THR 98 2HG2 THR 98 -10.201 -0.724 3.412 578 HG23 THR 98 3HG2 THR 98 -11.328 -0.804 2.036 579 H VAL 99 H VAL 99 -8.563 0.291 1.484 580 HA VAL 99 HA VAL 99 -6.272 0.092 3.359 581 HB VAL 99 HB VAL 99 -4.744 1.263 1.987 582 HG11 VAL 99 1HG1 VAL 99 -4.985 -1.210 1.638 583 HG12 VAL 99 2HG1 VAL 99 -6.008 -0.912 0.262 584 HG13 VAL 99 3HG1 VAL 99 -4.329 -0.359 0.234 585 HG21 VAL 99 3HG2 VAL 99 -5.289 1.720 -0.398 586 HG22 VAL 99 1HG2 VAL 99 -6.988 1.354 -0.020 587 HG23 VAL 99 2HG2 VAL 99 -6.176 2.739 0.734 588 H GLU 100 H GLU 100 -5.673 1.878 4.427 589 HA GLU 100 HA GLU 100 -7.198 4.422 4.173 590 HB2 GLU 100 2HB GLU 100 -8.277 4.126 6.393 591 HB3 GLU 100 3HB GLU 100 -8.901 2.984 5.229 592 HG2 GLU 100 2HG GLU 100 -6.648 1.836 6.765 593 HG3 GLU 100 3HG GLU 100 -7.866 2.516 7.831 594 H ARG 101 H ARG 101 -6.673 5.996 5.557 595 HA ARG 101 HA ARG 101 -4.038 6.247 6.684 596 HE ARG 101 HE ARG 101 -6.542 10.410 7.961 597 HB2 ARG 101 2HB ARG 101 -4.912 8.315 7.572 598 HB3 ARG 101 3HB ARG 101 -5.412 8.126 5.904 599 HG2 ARG 101 2HG ARG 101 -7.609 7.076 7.022 600 HG3 ARG 101 3HG ARG 101 -7.079 8.014 8.405 601 HD2 ARG 101 2HD ARG 101 -7.379 9.251 5.626 602 HD3 ARG 101 3HD ARG 101 -8.769 9.003 6.683 603 HH11 ARG 101 2HH1 ARG 101 -9.413 10.995 6.017 604 HH12 ARG 101 1HH1 ARG 101 -9.622 12.598 6.676 605 HH21 ARG 101 2HH2 ARG 101 -6.939 12.344 8.840 606 HH22 ARG 101 1HH2 ARG 101 -8.217 13.373 8.212 607 H ASP 102 H ASP 102 -3.260 5.722 8.585 608 HA ASP 102 HA ASP 102 -5.082 4.558 10.651 609 HB2 ASP 102 2HB ASP 102 -3.415 3.154 9.145 610 HB3 ASP 102 3HB ASP 102 -2.208 3.719 10.307 611 H ASP 103 H ASP 103 -2.754 7.030 10.215 612 HA ASP 103 HA ASP 103 -2.501 7.407 13.172 613 HB2 ASP 103 2HB ASP 103 -0.247 7.982 12.909 614 HB3 ASP 103 3HB ASP 103 -0.455 6.487 12.005 615 H ASN 104 H ASN 104 -3.324 8.975 10.153 616 HA ASN 104 HA ASN 104 -3.924 11.456 11.586 617 HB2 ASN 104 2HB ASN 104 -2.803 12.798 9.766 618 HB3 ASN 104 3HB ASN 104 -1.700 11.967 10.857 619 HD21 ASN 104 1HD2 ASN 104 -3.405 10.539 8.060 620 HD22 ASN 104 2HD2 ASN 104 -1.925 10.302 7.117 Start of MODEL 8 1 HA PRO 25 HA PRO 25 10.308 14.885 7.256 2 HB2 PRO 25 2HB PRO 25 10.131 14.134 4.312 3 HB3 PRO 25 3HB PRO 25 11.529 14.818 5.199 4 HG2 PRO 25 2HG PRO 25 11.050 12.085 4.843 5 HG3 PRO 25 3HG PRO 25 11.980 12.747 6.215 6 HD2 PRO 25 2HD PRO 25 9.438 11.396 6.365 7 HD3 PRO 25 3HD PRO 25 10.357 12.167 7.675 8 H ALA 26 H ALA 26 9.145 15.793 4.084 9 HA ALA 26 HA ALA 26 7.894 18.227 4.824 10 HB1 ALA 26 1HB ALA 26 7.404 16.391 2.430 11 HB2 ALA 26 2HB ALA 26 6.984 18.115 2.521 12 HB3 ALA 26 3HB ALA 26 8.693 17.613 2.554 13 H LYS 27 H LYS 27 6.579 15.023 4.255 14 HA LYS 27 HA LYS 27 4.475 15.356 6.312 15 HB2 LYS 27 2HB LYS 27 3.923 14.929 3.454 16 HB3 LYS 27 3HB LYS 27 3.504 13.492 4.343 17 HG2 LYS 27 2HG LYS 27 2.463 16.275 4.938 18 HG3 LYS 27 3HG LYS 27 1.611 14.993 4.092 19 HD2 LYS 27 2HD LYS 27 2.519 14.139 6.772 20 HD3 LYS 27 3HD LYS 27 1.484 15.538 6.841 21 HE2 LYS 27 2HE LYS 27 0.689 13.075 5.249 22 HE3 LYS 27 3HE LYS 27 0.549 13.108 7.011 23 HZ1 LYS 27 3HZ LYS 27 -1.510 13.821 6.128 24 HZ2 LYS 27 1HZ LYS 27 -0.818 15.122 6.799 25 HZ3 LYS 27 2HZ LYS 27 -0.823 14.990 5.161 26 H ARG 28 H ARG 28 3.929 13.285 7.196 27 HA ARG 28 HA ARG 28 5.118 10.927 6.066 28 HE ARG 28 HE ARG 28 6.506 8.379 9.592 29 HB2 ARG 28 2HB ARG 28 6.211 10.007 7.835 30 HB3 ARG 28 3HB ARG 28 6.963 11.546 7.564 31 HG2 ARG 28 2HG ARG 28 6.330 12.441 9.581 32 HG3 ARG 28 3HG ARG 28 4.821 11.542 9.678 33 HD2 ARG 28 2HD ARG 28 7.602 10.391 9.958 34 HD3 ARG 28 3HD ARG 28 6.516 10.729 11.323 35 HH11 ARG 28 2HH2 ARG 28 4.084 10.335 11.330 36 HH12 ARG 28 1HH2 ARG 28 2.878 9.078 11.013 37 HH21 ARG 28 1HH1 ARG 28 4.854 6.877 9.490 38 HH22 ARG 28 2HH1 ARG 28 3.263 7.358 10.125 39 H TYR 29 H TYR 29 3.948 9.174 6.506 40 HA TYR 29 HA TYR 29 1.488 9.271 8.102 41 HD1 TYR 29 HD1 TYR 29 0.465 7.032 5.032 42 HD2 TYR 29 HD2 TYR 29 2.420 10.732 3.854 43 HE1 TYR 29 HE1 TYR 29 1.169 5.975 2.910 44 HE2 TYR 29 HE2 TYR 29 2.855 9.760 1.689 45 HH TYR 29 HH TYR 29 2.003 6.305 0.881 46 HB2 TYR 29 2HB TYR 29 0.013 9.218 6.173 47 HB3 TYR 29 3HB TYR 29 1.026 10.597 5.910 48 H ARG 30 H ARG 30 0.347 7.235 7.899 49 HA ARG 30 HA ARG 30 1.854 5.107 6.493 50 HE ARG 30 HE ARG 30 0.296 2.458 9.736 51 HB2 ARG 30 2HB ARG 30 2.375 5.559 9.057 52 HB3 ARG 30 3HB ARG 30 0.909 4.684 9.306 53 HG2 ARG 30 2HG ARG 30 3.321 3.690 7.712 54 HG3 ARG 30 3HG ARG 30 3.174 3.448 9.444 55 HD2 ARG 30 2HD ARG 30 1.182 2.381 7.420 56 HD3 ARG 30 3HD ARG 30 2.574 1.486 8.010 57 HH11 ARG 30 2HH2 ARG 30 3.048 0.289 9.521 58 HH12 ARG 30 1HH2 ARG 30 2.503 -0.647 10.882 59 HH21 ARG 30 2HH1 ARG 30 -0.420 1.180 11.304 60 HH22 ARG 30 1HH1 ARG 30 0.568 -0.149 11.876 61 H ILE 31 H ILE 31 0.556 3.774 5.404 62 HA ILE 31 HA ILE 31 -2.403 3.844 5.910 63 HB ILE 31 HB ILE 31 -2.802 3.316 3.557 64 HG12 ILE 31 2HG1 ILE 31 0.114 3.870 2.978 65 HG13 ILE 31 3HG1 ILE 31 -0.563 2.236 3.098 66 HG21 ILE 31 1HG2 ILE 31 -2.322 5.487 2.570 67 HG22 ILE 31 2HG2 ILE 31 -2.892 5.647 4.217 68 HG23 ILE 31 3HG2 ILE 31 -1.164 5.847 3.861 69 HD11 ILE 31 3HD1 ILE 31 -1.276 4.306 1.020 70 HD12 ILE 31 1HD1 ILE 31 -0.466 2.749 0.798 71 HD13 ILE 31 2HD1 ILE 31 -2.175 2.785 1.281 72 H THR 32 H THR 32 -3.565 2.074 5.492 73 HA THR 32 HA THR 32 -2.388 -0.696 5.801 74 HB THR 32 HB THR 32 -5.121 0.530 6.164 75 HG1 THR 32 1HG THR 32 -3.635 0.923 7.836 76 HG21 THR 32 1HG2 THR 32 -4.156 -2.348 6.587 77 HG22 THR 32 2HG2 THR 32 -5.723 -1.715 7.141 78 HG23 THR 32 3HG2 THR 32 -5.379 -1.795 5.416 79 H MET 33 H MET 33 -2.518 -2.069 4.290 80 HA MET 33 HA MET 33 -4.450 -1.718 2.152 81 HB2 MET 33 2HB MET 33 -1.566 -2.571 1.555 82 HB3 MET 33 3HB MET 33 -2.922 -2.418 0.427 83 HG2 MET 33 2HG MET 33 -2.993 0.065 1.211 84 HG3 MET 33 3HG MET 33 -1.437 -0.274 1.894 85 HE1 MET 33 3HE MET 33 -0.194 -2.136 -0.447 86 HE2 MET 33 1HE MET 33 -1.702 -2.213 -1.385 87 HE3 MET 33 2HE MET 33 -0.256 -1.447 -2.085 88 H LYS 34 H LYS 34 -5.734 -3.245 2.368 89 HA LYS 34 HA LYS 34 -4.986 -5.986 3.334 90 HB2 LYS 34 2HB LYS 34 -5.063 -4.324 5.190 91 HB3 LYS 34 3HB LYS 34 -6.459 -3.588 4.398 92 HG2 LYS 34 2HG LYS 34 -7.009 -6.163 5.521 93 HG3 LYS 34 3HG LYS 34 -6.675 -4.761 6.583 94 HD2 LYS 34 2HD LYS 34 -8.802 -4.666 4.380 95 HD3 LYS 34 3HD LYS 34 -9.151 -5.082 5.996 96 HE2 LYS 34 2HE LYS 34 -9.506 -2.843 6.267 97 HE3 LYS 34 3HE LYS 34 -7.743 -2.740 6.421 98 HZ1 LYS 34 3HZ LYS 34 -7.730 -1.478 4.597 99 HZ2 LYS 34 1HZ LYS 34 -8.401 -2.655 3.675 100 HZ3 LYS 34 2HZ LYS 34 -9.298 -1.507 4.496 101 H ASN 35 H ASN 35 -6.739 -7.389 3.199 102 HA ASN 35 HA ASN 35 -9.265 -6.622 3.511 103 HB2 ASN 35 2HB ASN 35 -9.676 -5.610 1.432 104 HB3 ASN 35 3HB ASN 35 -8.613 -6.697 0.600 105 HD21 ASN 35 1HD2 ASN 35 -9.635 -7.979 -0.779 106 HD22 ASN 35 2HD2 ASN 35 -11.312 -8.518 -0.610 107 H LEU 36 H LEU 36 -10.733 -8.615 3.580 108 HA LEU 36 HA LEU 36 -9.409 -10.669 4.795 109 HG LEU 36 HG LEU 36 -12.023 -8.945 5.151 110 HB2 LEU 36 2HB LEU 36 -12.163 -10.822 3.550 111 HB3 LEU 36 3HB LEU 36 -11.520 -11.928 4.757 112 HD11 LEU 36 1HD1 LEU 36 -14.065 -10.324 5.025 113 HD12 LEU 36 2HD1 LEU 36 -13.428 -11.388 6.302 114 HD13 LEU 36 3HD1 LEU 36 -13.803 -9.686 6.658 115 HD21 LEU 36 3HD2 LEU 36 -10.140 -9.602 6.570 116 HD22 LEU 36 1HD2 LEU 36 -11.585 -9.409 7.563 117 HD23 LEU 36 2HD2 LEU 36 -11.025 -11.040 7.131 118 HA PRO 37 HA PRO 37 -9.317 -13.786 1.234 119 HB2 PRO 37 2HB PRO 37 -9.746 -13.066 -1.388 120 HB3 PRO 37 3HB PRO 37 -11.036 -13.536 -0.242 121 HG2 PRO 37 2HG PRO 37 -10.079 -10.732 -0.907 122 HG3 PRO 37 3HG PRO 37 -11.763 -11.363 -0.953 123 HD2 PRO 37 2HD PRO 37 -10.908 -10.051 1.222 124 HD3 PRO 37 3HD PRO 37 -11.862 -11.538 1.401 125 H GLU 38 H GLU 38 -7.405 -11.139 1.666 126 HA GLU 38 HA GLU 38 -5.214 -12.377 0.059 127 HB2 GLU 38 2HB GLU 38 -6.072 -10.268 -1.024 128 HB3 GLU 38 3HB GLU 38 -5.606 -9.396 0.423 129 HG2 GLU 38 2HG GLU 38 -4.026 -9.161 -1.468 130 HG3 GLU 38 3HG GLU 38 -3.300 -9.726 0.032 131 H GLY 39 H GLY 39 -3.298 -12.515 0.953 132 HA2 GLY 39 2HA GLY 39 -2.915 -11.625 3.810 133 HA3 GLY 39 3HA GLY 39 -2.302 -13.132 3.129 134 H CYS 40 H CYS 40 -1.657 -11.745 0.561 135 HA CYS 40 HA CYS 40 0.194 -11.184 -0.477 136 HG CYS 40 HG CYS 40 -0.664 -9.145 2.543 137 HB2 CYS 40 2HB CYS 40 0.560 -8.818 -0.507 138 HB3 CYS 40 3HB CYS 40 -1.140 -9.144 -0.244 139 H SER 41 H SER 41 2.319 -9.429 0.053 140 HA SER 41 HA SER 41 3.863 -10.042 2.393 141 HG SER 41 HG SER 41 3.502 -12.339 1.436 142 HB2 SER 41 2HB SER 41 5.100 -10.916 -0.237 143 HB3 SER 41 3HB SER 41 5.796 -11.035 1.382 144 H TRP 42 H TRP 42 6.045 -8.632 2.207 145 HA TRP 42 HA TRP 42 5.297 -6.148 1.047 146 HD1 TRP 42 HD1 TRP 42 9.891 -5.138 1.726 147 HE1 TRP 42 HE1 TRP 42 10.095 -2.863 0.565 148 HE3 TRP 42 HE3 TRP 42 4.917 -4.224 0.742 149 HZ2 TRP 42 HZ2 TRP 42 8.366 -1.077 -0.942 150 HZ3 TRP 42 HZ3 TRP 42 4.271 -2.350 -0.675 151 HH2 TRP 42 HH2 TRP 42 5.937 -0.746 -1.490 152 HB2 TRP 42 2HB TRP 42 6.924 -6.164 2.858 153 HB3 TRP 42 3HB TRP 42 8.093 -6.972 1.829 154 H GLN 43 H GLN 43 7.550 -8.613 -0.248 155 HA GLN 43 HA GLN 43 8.159 -7.147 -2.534 156 HB2 GLN 43 2HB GLN 43 8.835 -9.267 -3.560 157 HB3 GLN 43 3HB GLN 43 9.436 -9.122 -1.920 158 HG2 GLN 43 2HG GLN 43 6.916 -10.728 -2.554 159 HG3 GLN 43 3HG GLN 43 8.525 -11.390 -2.760 160 HE21 GLN 43 2HE2 GLN 43 7.698 -13.046 -1.193 161 HE22 GLN 43 1HE2 GLN 43 7.837 -12.664 0.505 162 H ASP 44 H ASP 44 5.190 -8.752 -1.844 163 HA ASP 44 HA ASP 44 4.155 -9.067 -4.568 164 HB2 ASP 44 2HB ASP 44 3.480 -9.851 -1.881 165 HB3 ASP 44 3HB ASP 44 2.242 -8.774 -2.323 166 H LEU 45 H LEU 45 3.640 -7.010 -1.738 167 HA LEU 45 HA LEU 45 1.733 -5.419 -3.001 168 HG LEU 45 HG LEU 45 1.407 -6.683 -0.310 169 HB2 LEU 45 2HB LEU 45 3.362 -5.266 -0.458 170 HB3 LEU 45 3HB LEU 45 2.401 -3.893 -0.936 171 HD11 LEU 45 1HD1 LEU 45 0.275 -5.418 1.559 172 HD12 LEU 45 2HD1 LEU 45 2.032 -5.223 1.585 173 HD13 LEU 45 3HD1 LEU 45 1.027 -3.912 0.954 174 HD21 LEU 45 3HD2 LEU 45 -0.101 -5.872 -2.038 175 HD22 LEU 45 1HD2 LEU 45 -0.912 -5.662 -0.491 176 HD23 LEU 45 2HD2 LEU 45 -0.167 -4.267 -1.308 177 H LYS 46 H LYS 46 5.186 -5.009 -2.407 178 HA LYS 46 HA LYS 46 5.659 -2.418 -3.458 179 HB2 LYS 46 2HB LYS 46 7.315 -3.824 -2.199 180 HB3 LYS 46 3HB LYS 46 7.376 -4.965 -3.507 181 HG2 LYS 46 2HG LYS 46 9.305 -3.356 -3.305 182 HG3 LYS 46 3HG LYS 46 8.600 -3.478 -4.913 183 HD2 LYS 46 2HD LYS 46 7.728 -1.287 -4.852 184 HD3 LYS 46 3HD LYS 46 7.545 -1.309 -3.159 185 HE2 LYS 46 2HE LYS 46 9.991 -1.122 -2.809 186 HE3 LYS 46 3HE LYS 46 10.264 -1.241 -4.548 187 HZ1 LYS 46 3HZ LYS 46 8.662 0.955 -3.361 188 HZ2 LYS 46 1HZ LYS 46 10.277 1.053 -3.594 189 HZ3 LYS 46 2HZ LYS 46 9.230 0.893 -4.877 190 H ASP 47 H ASP 47 5.632 -5.645 -5.050 191 HA ASP 47 HA ASP 47 6.163 -4.622 -7.602 192 HB2 ASP 47 2HB ASP 47 5.658 -7.167 -6.624 193 HB3 ASP 47 3HB ASP 47 4.189 -6.901 -7.493 194 H LEU 48 H LEU 48 2.896 -5.440 -6.392 195 HA LEU 48 HA LEU 48 1.575 -4.250 -8.536 196 HG LEU 48 HG LEU 48 -0.998 -3.733 -8.106 197 HB2 LEU 48 2HB LEU 48 0.358 -5.647 -7.039 198 HB3 LEU 48 3HB LEU 48 0.641 -4.588 -5.663 199 HD11 LEU 48 1HD1 LEU 48 -2.255 -5.520 -7.134 200 HD12 LEU 48 2HD1 LEU 48 -1.960 -4.901 -5.467 201 HD13 LEU 48 3HD1 LEU 48 -3.006 -4.034 -6.577 202 HD21 LEU 48 3HD2 LEU 48 -2.013 -2.207 -6.326 203 HD22 LEU 48 1HD2 LEU 48 -0.593 -2.619 -5.347 204 HD23 LEU 48 2HD2 LEU 48 -0.447 -1.801 -6.941 205 H ALA 49 H ALA 49 2.625 -2.625 -5.506 206 HA ALA 49 HA ALA 49 1.440 -0.155 -6.047 207 HB1 ALA 49 1HB ALA 49 3.868 -1.082 -4.510 208 HB2 ALA 49 2HB ALA 49 3.446 0.617 -4.572 209 HB3 ALA 49 3HB ALA 49 2.253 -0.538 -3.917 210 H ARG 50 H ARG 50 4.586 -1.377 -7.266 211 HA ARG 50 HA ARG 50 5.371 1.193 -8.481 212 HE ARG 50 HE ARG 50 7.788 -3.753 -7.810 213 HB2 ARG 50 2HB ARG 50 6.061 -1.672 -9.122 214 HB3 ARG 50 3HB ARG 50 6.894 -0.264 -9.809 215 HG2 ARG 50 2HG ARG 50 7.846 0.365 -7.750 216 HG3 ARG 50 3HG ARG 50 6.758 -0.606 -6.812 217 HD2 ARG 50 2HD ARG 50 9.310 -1.298 -8.041 218 HD3 ARG 50 3HD ARG 50 8.502 -1.887 -6.580 219 HH11 ARG 50 1HH1 ARG 50 8.909 -1.420 -10.225 220 HH12 ARG 50 2HH1 ARG 50 8.440 -2.473 -11.533 221 HH21 ARG 50 1HH2 ARG 50 7.383 -5.037 -9.616 222 HH22 ARG 50 2HH2 ARG 50 7.105 -4.188 -11.125 223 H GLU 51 H GLU 51 3.775 -1.767 -9.503 224 HA GLU 51 HA GLU 51 3.021 -1.066 -12.151 225 HB2 GLU 51 2HB GLU 51 1.195 -2.636 -10.336 226 HB3 GLU 51 3HB GLU 51 1.096 -2.482 -11.983 227 HG2 GLU 51 2HG GLU 51 3.215 -3.736 -10.235 228 HG3 GLU 51 3HG GLU 51 2.271 -4.640 -11.280 229 H ASN 52 H ASN 52 1.670 0.076 -9.247 230 HA ASN 52 HA ASN 52 -0.632 1.322 -10.628 231 HB2 ASN 52 2HB ASN 52 0.080 0.165 -7.939 232 HB3 ASN 52 3HB ASN 52 -1.043 1.405 -7.957 233 HD21 ASN 52 2HD2 ASN 52 -0.374 -1.749 -9.284 234 HD22 ASN 52 1HD2 ASN 52 -2.073 -2.183 -9.483 235 H SER 53 H SER 53 2.308 2.405 -9.243 236 HA SER 53 HA SER 53 3.231 4.478 -9.739 237 HG SER 53 HG SER 53 0.349 4.782 -11.324 238 HB2 SER 53 2HB SER 53 0.540 5.865 -9.406 239 HB3 SER 53 3HB SER 53 2.089 6.546 -9.922 240 H LEU 54 H LEU 54 2.214 3.050 -7.186 241 HA LEU 54 HA LEU 54 2.114 5.049 -5.052 242 HG LEU 54 HG LEU 54 0.421 1.869 -4.046 243 HB2 LEU 54 2HB LEU 54 2.066 2.105 -5.423 244 HB3 LEU 54 3HB LEU 54 2.914 2.585 -3.973 245 HD11 LEU 54 1HD1 LEU 54 0.088 2.976 -1.915 246 HD12 LEU 54 2HD1 LEU 54 1.738 2.429 -2.044 247 HD13 LEU 54 3HD1 LEU 54 1.380 4.155 -2.286 248 HD21 LEU 54 3HD2 LEU 54 0.009 4.859 -4.288 249 HD22 LEU 54 1HD2 LEU 54 -0.198 3.728 -5.649 250 HD23 LEU 54 2HD2 LEU 54 -1.168 3.530 -4.203 251 H GLU 55 H GLU 55 4.598 2.776 -6.298 252 HA GLU 55 HA GLU 55 6.606 2.197 -5.633 253 HB2 GLU 55 2HB GLU 55 7.147 3.926 -7.078 254 HB3 GLU 55 3HB GLU 55 6.631 5.167 -5.945 255 HG2 GLU 55 2HG GLU 55 8.854 5.299 -6.082 256 HG3 GLU 55 3HG GLU 55 8.513 4.694 -4.485 257 H THR 56 H THR 56 5.894 4.763 -3.585 258 HA THR 56 HA THR 56 6.332 5.426 -1.491 259 HB THR 56 HB THR 56 5.545 4.137 0.258 260 HG1 THR 56 1HG THR 56 6.262 1.907 -1.354 261 HG21 THR 56 1HG2 THR 56 3.515 3.176 -0.424 262 HG22 THR 56 2HG2 THR 56 3.839 4.462 -1.579 263 HG23 THR 56 3HG2 THR 56 4.135 2.773 -2.033 264 H THR 57 H THR 57 7.544 4.729 0.763 265 HA THR 57 HA THR 57 10.403 4.304 0.108 266 HB THR 57 HB THR 57 9.129 4.644 2.843 267 HG1 THR 57 1HG THR 57 10.109 6.663 1.099 268 HG21 THR 57 1HG2 THR 57 11.910 5.301 1.773 269 HG22 THR 57 2HG2 THR 57 11.301 5.697 3.403 270 HG23 THR 57 3HG2 THR 57 11.489 4.005 2.918 271 H PHE 58 H PHE 58 7.734 2.755 1.886 272 HA PHE 58 HA PHE 58 8.932 0.127 2.008 273 HD1 PHE 58 HD2 PHE 58 8.260 3.144 5.244 274 HD2 PHE 58 HD1 PHE 58 9.187 -1.045 5.555 275 HE1 PHE 58 HE2 PHE 58 7.174 3.068 7.503 276 HE2 PHE 58 HE1 PHE 58 8.107 -1.127 7.800 277 HZ PHE 58 HZ PHE 58 7.096 0.933 8.767 278 HB2 PHE 58 2HB PHE 58 10.196 0.388 3.822 279 HB3 PHE 58 3HB PHE 58 9.903 2.094 3.820 280 H SER 59 H SER 59 7.719 -1.316 3.424 281 HA SER 59 HA SER 59 5.224 -0.319 4.610 282 HG SER 59 HG SER 59 3.867 -3.389 3.625 283 HB2 SER 59 2HB SER 59 4.394 -0.941 2.535 284 HB3 SER 59 3HB SER 59 5.336 -2.426 2.495 285 H SER 60 H SER 60 4.527 -1.526 6.276 286 HA SER 60 HA SER 60 6.185 -3.683 7.478 287 HG SER 60 HG SER 60 5.606 -1.048 8.450 288 HB2 SER 60 2HB SER 60 3.621 -2.257 8.311 289 HB3 SER 60 3HB SER 60 4.413 -3.533 9.262 290 H VAL 61 H VAL 61 5.866 -5.670 6.513 291 HA VAL 61 HA VAL 61 3.128 -6.774 6.298 292 HB VAL 61 HB VAL 61 4.973 -7.492 4.046 293 HG11 VAL 61 1HG1 VAL 61 2.812 -8.729 4.222 294 HG12 VAL 61 2HG1 VAL 61 1.937 -7.200 4.272 295 HG13 VAL 61 3HG1 VAL 61 2.779 -7.688 2.809 296 HG21 VAL 61 3HG2 VAL 61 5.047 -5.085 3.801 297 HG22 VAL 61 1HG2 VAL 61 3.974 -5.766 2.574 298 HG23 VAL 61 2HG2 VAL 61 3.272 -5.005 3.996 299 H ASN 62 H ASN 62 3.260 -9.155 5.871 300 HA ASN 62 HA ASN 62 3.793 -11.248 6.455 301 HB2 ASN 62 2HB ASN 62 6.642 -10.289 6.817 302 HB3 ASN 62 3HB ASN 62 6.115 -11.966 6.738 303 HD21 ASN 62 1HD2 ASN 62 7.625 -9.697 4.954 304 HD22 ASN 62 2HD2 ASN 62 7.213 -10.332 3.372 305 H THR 63 H THR 63 4.733 -8.690 8.660 306 HA THR 63 HA THR 63 4.530 -10.096 11.154 307 HB THR 63 HB THR 63 3.877 -7.797 12.010 308 HG1 THR 63 1HG THR 63 2.932 -7.041 10.050 309 HG21 THR 63 1HG2 THR 63 6.060 -6.769 11.596 310 HG22 THR 63 2HG2 THR 63 6.264 -8.511 11.865 311 HG23 THR 63 3HG2 THR 63 6.349 -7.850 10.220 312 H ARG 64 H ARG 64 2.796 -11.215 11.840 313 HA ARG 64 HA ARG 64 0.475 -11.500 10.291 314 HE ARG 64 HE ARG 64 -0.486 -15.299 11.491 315 HB2 ARG 64 2HB ARG 64 0.892 -12.200 13.224 316 HB3 ARG 64 3HB ARG 64 -0.431 -12.802 12.231 317 HG2 ARG 64 2HG ARG 64 2.526 -13.322 11.667 318 HG3 ARG 64 3HG ARG 64 1.470 -14.420 12.533 319 HD2 ARG 64 2HD ARG 64 0.980 -13.542 9.657 320 HD3 ARG 64 3HD ARG 64 1.872 -14.996 10.124 321 HH11 ARG 64 1HH1 ARG 64 0.150 -14.766 8.089 322 HH12 ARG 64 2HH1 ARG 64 -1.361 -15.479 7.600 323 HH21 ARG 64 2HH2 ARG 64 -2.338 -16.314 10.782 324 HH22 ARG 64 1HH2 ARG 64 -2.698 -16.373 9.070 325 H ASP 65 H ASP 65 -1.573 -10.983 10.389 326 HA ASP 65 HA ASP 65 -2.534 -8.732 12.136 327 HB2 ASP 65 2HB ASP 65 -1.775 -8.179 9.674 328 HB3 ASP 65 3HB ASP 65 -3.248 -9.013 9.196 329 H PHE 66 H PHE 66 -5.163 -9.039 10.474 330 HA PHE 66 HA PHE 66 -6.513 -11.168 11.792 331 HD1 PHE 66 HD1 PHE 66 -6.033 -8.600 8.267 332 HD2 PHE 66 HD2 PHE 66 -8.385 -12.213 8.430 333 HE1 PHE 66 HE1 PHE 66 -5.688 -8.945 5.817 334 HE2 PHE 66 HE2 PHE 66 -8.041 -12.547 6.004 335 HZ PHE 66 HZ PHE 66 -6.715 -10.914 4.690 336 HB2 PHE 66 2HB PHE 66 -8.266 -10.741 10.342 337 HB3 PHE 66 3HB PHE 66 -7.407 -9.205 10.299 338 H ASP 67 H ASP 67 -4.471 -11.070 8.928 339 HA ASP 67 HA ASP 67 -3.558 -13.738 9.392 340 HB2 ASP 67 2HB ASP 67 -5.562 -14.206 7.875 341 HB3 ASP 67 3HB ASP 67 -4.742 -13.291 6.608 342 H GLY 68 H GLY 68 -3.712 -11.352 6.672 343 HA2 GLY 68 2HA GLY 68 -1.151 -10.222 7.418 344 HA3 GLY 68 3HA GLY 68 -1.107 -11.055 5.867 345 H THR 69 H THR 69 -1.119 -8.260 6.947 346 HA THR 69 HA THR 69 -2.445 -6.987 4.595 347 HB THR 69 HB THR 69 -3.039 -5.054 5.846 348 HG1 THR 69 1HG THR 69 -2.719 -5.691 8.394 349 HG21 THR 69 1HG2 THR 69 -4.719 -6.851 5.953 350 HG22 THR 69 2HG2 THR 69 -4.012 -7.445 7.472 351 HG23 THR 69 3HG2 THR 69 -4.750 -5.833 7.414 352 H GLY 70 H GLY 70 -1.347 -5.042 3.961 353 HA2 GLY 70 2HA GLY 70 1.452 -4.827 4.984 354 HA3 GLY 70 3HA GLY 70 0.953 -4.276 3.386 355 H ALA 71 H ALA 71 2.207 -2.729 5.464 356 HA ALA 71 HA ALA 71 0.228 -0.594 5.294 357 HB1 ALA 71 1HB ALA 71 -0.084 -1.657 7.530 358 HB2 ALA 71 2HB ALA 71 1.598 -1.259 7.929 359 HB3 ALA 71 3HB ALA 71 0.399 0.031 7.633 360 H LEU 72 H LEU 72 1.117 0.913 4.155 361 HA LEU 72 HA LEU 72 3.997 0.987 3.568 362 HG LEU 72 HG LEU 72 1.813 1.299 0.453 363 HB2 LEU 72 2HB LEU 72 1.631 2.433 2.458 364 HB3 LEU 72 3HB LEU 72 3.219 2.651 1.909 365 HD11 LEU 72 1HD1 LEU 72 4.559 0.780 1.224 366 HD12 LEU 72 2HD1 LEU 72 3.758 -0.649 0.543 367 HD13 LEU 72 3HD1 LEU 72 3.793 0.845 -0.367 368 HD21 LEU 72 3HD2 LEU 72 1.349 -1.005 0.811 369 HD22 LEU 72 1HD2 LEU 72 2.118 -0.986 2.398 370 HD23 LEU 72 2HD2 LEU 72 0.639 -0.058 2.129 371 H GLU 73 H GLU 73 5.140 3.057 3.513 372 HA GLU 73 HA GLU 73 3.818 5.479 4.742 373 HB2 GLU 73 2HB GLU 73 4.990 4.548 6.545 374 HB3 GLU 73 3HB GLU 73 6.443 4.275 5.607 375 HG2 GLU 73 2HG GLU 73 7.142 6.456 5.660 376 HG3 GLU 73 3HG GLU 73 5.539 7.116 5.887 377 H PHE 74 H PHE 74 4.634 7.540 3.945 378 HA PHE 74 HA PHE 74 7.005 7.525 2.259 379 HD1 PHE 74 HD2 PHE 74 7.282 6.633 0.118 380 HD2 PHE 74 HD1 PHE 74 5.690 10.563 -0.408 381 HE1 PHE 74 HE2 PHE 74 9.064 7.107 -1.563 382 HE2 PHE 74 HE1 PHE 74 7.494 11.094 -2.014 383 HZ PHE 74 HZ PHE 74 9.178 9.361 -2.614 384 HB2 PHE 74 2HB PHE 74 4.663 7.431 0.802 385 HB3 PHE 74 3HB PHE 74 4.727 9.122 1.138 386 HA PRO 75 HA PRO 75 7.815 11.657 3.940 387 HB2 PRO 75 2HB PRO 75 8.919 11.974 1.132 388 HB3 PRO 75 3HB PRO 75 9.593 12.606 2.662 389 HG2 PRO 75 2HG PRO 75 10.576 10.321 1.653 390 HG3 PRO 75 3HG PRO 75 10.155 10.380 3.402 391 HD2 PRO 75 2HD PRO 75 8.589 9.215 1.122 392 HD3 PRO 75 3HD PRO 75 8.849 8.565 2.770 393 H SER 76 H SER 76 5.545 11.249 1.327 394 HA SER 76 HA SER 76 4.585 14.055 1.684 395 HG SER 76 HG SER 76 6.253 14.633 -1.391 396 HB2 SER 76 2HB SER 76 4.891 12.621 -0.921 397 HB3 SER 76 3HB SER 76 4.168 14.249 -0.702 398 H GLU 77 H GLU 77 2.412 14.059 2.032 399 HA GLU 77 HA GLU 77 0.752 11.805 1.888 400 HB2 GLU 77 2HB GLU 77 -1.153 13.362 2.048 401 HB3 GLU 77 3HB GLU 77 0.119 13.657 3.219 402 HG2 GLU 77 2HG GLU 77 0.973 15.531 1.758 403 HG3 GLU 77 3HG GLU 77 -0.339 15.208 0.628 404 H GLU 78 H GLU 78 1.840 13.688 -0.768 405 HA GLU 78 HA GLU 78 -0.046 13.347 -2.789 406 HB2 GLU 78 2HB GLU 78 2.966 12.811 -2.865 407 HB3 GLU 78 3HB GLU 78 1.947 13.066 -4.287 408 HG2 GLU 78 2HG GLU 78 1.474 15.371 -3.574 409 HG3 GLU 78 3HG GLU 78 2.391 15.133 -2.083 410 H ILE 79 H ILE 79 2.329 10.904 -1.649 411 HA ILE 79 HA ILE 79 1.405 8.857 -3.483 412 HB ILE 79 HB ILE 79 3.245 8.665 -1.063 413 HG12 ILE 79 2HG1 ILE 79 3.574 9.772 -3.761 414 HG13 ILE 79 3HG1 ILE 79 4.423 10.126 -2.324 415 HG21 ILE 79 1HG2 ILE 79 2.438 6.445 -1.701 416 HG22 ILE 79 2HG2 ILE 79 2.844 6.770 -3.397 417 HG23 ILE 79 3HG2 ILE 79 4.123 6.615 -2.171 418 HD11 ILE 79 3HD1 ILE 79 5.964 9.285 -3.981 419 HD12 ILE 79 1HD1 ILE 79 5.805 7.982 -2.791 420 HD13 ILE 79 2HD1 ILE 79 4.947 7.893 -4.338 421 H LEU 80 H LEU 80 0.714 9.661 -0.143 422 HA LEU 80 HA LEU 80 -0.745 7.366 0.608 423 HG LEU 80 HG LEU 80 -2.945 10.030 1.701 424 HB2 LEU 80 2HB LEU 80 -0.268 8.702 2.371 425 HB3 LEU 80 3HB LEU 80 -0.452 10.180 1.521 426 HD11 LEU 80 1HD1 LEU 80 -2.373 7.916 3.784 427 HD12 LEU 80 2HD1 LEU 80 -3.952 8.551 3.260 428 HD13 LEU 80 3HD1 LEU 80 -3.013 7.537 2.155 429 HD21 LEU 80 3HD2 LEU 80 -1.649 11.386 3.279 430 HD22 LEU 80 1HD2 LEU 80 -3.040 10.612 4.067 431 HD23 LEU 80 2HD2 LEU 80 -1.407 9.957 4.309 432 H VAL 81 H VAL 81 -1.770 10.453 -0.891 433 HA VAL 81 HA VAL 81 -4.621 9.814 -0.879 434 HB VAL 81 HB VAL 81 -2.966 12.016 -2.234 435 HG11 VAL 81 1HG1 VAL 81 -5.110 13.257 -2.555 436 HG12 VAL 81 2HG1 VAL 81 -5.036 11.795 -3.536 437 HG13 VAL 81 3HG1 VAL 81 -6.007 11.809 -2.041 438 HG21 VAL 81 3HG2 VAL 81 -3.835 13.497 -0.526 439 HG22 VAL 81 1HG2 VAL 81 -4.865 12.199 0.133 440 HG23 VAL 81 2HG2 VAL 81 -3.101 12.107 0.266 441 H GLU 82 H GLU 82 -2.002 9.717 -3.278 442 HA GLU 82 HA GLU 82 -3.408 8.860 -5.500 443 HB2 GLU 82 2HB GLU 82 -0.739 8.590 -4.133 444 HB3 GLU 82 3HB GLU 82 -1.116 7.365 -5.199 445 HG2 GLU 82 2HG GLU 82 -0.649 10.277 -5.686 446 HG3 GLU 82 3HG GLU 82 0.173 8.894 -6.394 447 H ALA 83 H ALA 83 -1.797 6.663 -3.059 448 HA ALA 83 HA ALA 83 -3.048 4.267 -3.883 449 HB1 ALA 83 1HB ALA 83 -2.363 3.386 -1.806 450 HB2 ALA 83 2HB ALA 83 -1.223 4.723 -2.113 451 HB3 ALA 83 3HB ALA 83 -2.538 4.948 -0.963 452 H LEU 84 H LEU 84 -4.410 6.591 -1.636 453 HA LEU 84 HA LEU 84 -6.738 5.005 -0.857 454 HG LEU 84 HG LEU 84 -4.995 7.756 0.961 455 HB2 LEU 84 2HB LEU 84 -6.288 8.025 -0.771 456 HB3 LEU 84 3HB LEU 84 -7.647 7.234 -0.085 457 HD11 LEU 84 1HD1 LEU 84 -7.549 6.794 2.249 458 HD12 LEU 84 2HD1 LEU 84 -6.132 7.491 3.087 459 HD13 LEU 84 3HD1 LEU 84 -7.066 8.484 1.955 460 HD21 LEU 84 3HD2 LEU 84 -6.025 4.930 1.199 461 HD22 LEU 84 1HD2 LEU 84 -4.443 5.458 0.605 462 HD23 LEU 84 2HD2 LEU 84 -4.811 5.672 2.324 463 H GLU 85 H GLU 85 -6.066 7.111 -3.595 464 HA GLU 85 HA GLU 85 -8.782 6.513 -4.549 465 HB2 GLU 85 2HB GLU 85 -6.607 8.333 -5.675 466 HB3 GLU 85 3HB GLU 85 -8.224 8.154 -6.372 467 HG2 GLU 85 2HG GLU 85 -9.251 9.162 -4.421 468 HG3 GLU 85 3HG GLU 85 -7.693 9.281 -3.608 469 H ARG 86 H ARG 86 -5.700 5.046 -4.896 470 HA ARG 86 HA ARG 86 -6.072 4.322 -7.780 471 HE ARG 86 HE ARG 86 -3.480 8.321 -8.709 472 HB2 ARG 86 2HB ARG 86 -3.757 5.099 -6.043 473 HB3 ARG 86 3HB ARG 86 -3.410 3.828 -6.978 474 HG2 ARG 86 2HG ARG 86 -2.757 5.900 -8.054 475 HG3 ARG 86 3HG ARG 86 -4.002 5.144 -9.074 476 HD2 ARG 86 2HD ARG 86 -5.771 6.494 -8.177 477 HD3 ARG 86 3HD ARG 86 -4.724 7.107 -6.889 478 HH11 ARG 86 2HH1 ARG 86 -6.994 8.014 -8.600 479 HH12 ARG 86 1HH1 ARG 86 -7.157 9.655 -7.995 480 HH21 ARG 86 2HH2 ARG 86 -3.907 10.462 -8.158 481 HH22 ARG 86 1HH2 ARG 86 -5.570 11.017 -8.032 482 H LEU 87 H LEU 87 -5.562 2.982 -4.554 483 HA LEU 87 HA LEU 87 -5.748 0.272 -5.667 484 HG LEU 87 HG LEU 87 -3.468 -0.213 -5.763 485 HB2 LEU 87 2HB LEU 87 -4.088 1.430 -3.390 486 HB3 LEU 87 3HB LEU 87 -4.504 -0.217 -3.502 487 HD11 LEU 87 1HD1 LEU 87 -1.619 1.653 -5.909 488 HD12 LEU 87 2HD1 LEU 87 -3.192 1.608 -6.739 489 HD13 LEU 87 3HD1 LEU 87 -2.976 2.557 -5.221 490 HD21 LEU 87 3HD2 LEU 87 -1.651 0.532 -3.447 491 HD22 LEU 87 1HD2 LEU 87 -2.248 -1.106 -3.814 492 HD23 LEU 87 2HD2 LEU 87 -1.131 -0.305 -4.925 493 H ASN 88 H ASN 88 -7.733 2.466 -4.138 494 HA ASN 88 HA ASN 88 -8.545 0.770 -1.971 495 HB2 ASN 88 2HB ASN 88 -8.791 3.238 -1.925 496 HB3 ASN 88 3HB ASN 88 -10.161 3.076 -3.048 497 HD21 ASN 88 1HD2 ASN 88 -11.841 3.598 -1.573 498 HD22 ASN 88 2HD2 ASN 88 -12.155 2.668 -0.119 499 H ASN 89 H ASN 89 -9.328 -1.109 -2.265 500 HA ASN 89 HA ASN 89 -10.496 -2.873 -2.775 501 HB2 ASN 89 2HB ASN 89 -12.378 -1.307 -2.035 502 HB3 ASN 89 3HB ASN 89 -12.859 -1.292 -3.738 503 HD21 ASN 89 1HD2 ASN 89 -12.002 -3.502 -1.006 504 HD22 ASN 89 2HD2 ASN 89 -13.136 -4.754 -1.493 505 H ILE 90 H ILE 90 -8.599 -2.059 -4.548 506 HA ILE 90 HA ILE 90 -9.599 -2.597 -7.283 507 HB ILE 90 HB ILE 90 -7.286 -2.298 -8.044 508 HG12 ILE 90 2HG1 ILE 90 -6.264 -1.759 -5.282 509 HG13 ILE 90 3HG1 ILE 90 -6.219 -3.364 -5.936 510 HG21 ILE 90 1HG2 ILE 90 -8.801 -0.397 -7.745 511 HG22 ILE 90 2HG2 ILE 90 -8.113 -0.092 -6.151 512 HG23 ILE 90 3HG2 ILE 90 -7.099 0.015 -7.614 513 HD11 ILE 90 3HD1 ILE 90 -4.169 -2.230 -6.306 514 HD12 ILE 90 1HD1 ILE 90 -4.918 -2.807 -7.798 515 HD13 ILE 90 2HD1 ILE 90 -4.966 -1.065 -7.393 516 H GLU 91 H GLU 91 -9.150 -4.397 -8.445 517 HA GLU 91 HA GLU 91 -8.694 -6.848 -6.956 518 HB2 GLU 91 2HB GLU 91 -10.308 -6.555 -8.891 519 HB3 GLU 91 3HB GLU 91 -8.860 -6.464 -9.885 520 HG2 GLU 91 2HG GLU 91 -8.370 -8.790 -8.537 521 HG3 GLU 91 3HG GLU 91 -10.121 -8.811 -8.539 522 H PHE 92 H PHE 92 -6.718 -7.219 -6.277 523 HA PHE 92 HA PHE 92 -4.239 -6.659 -7.758 524 HD1 PHE 92 HD2 PHE 92 -2.192 -7.957 -7.589 525 HD2 PHE 92 HD1 PHE 92 -2.948 -7.497 -3.357 526 HE1 PHE 92 HE2 PHE 92 0.183 -8.359 -7.126 527 HE2 PHE 92 HE1 PHE 92 -0.543 -7.936 -2.905 528 HZ PHE 92 HZ PHE 92 1.029 -8.303 -4.801 529 HB2 PHE 92 2HB PHE 92 -4.496 -6.419 -5.319 530 HB3 PHE 92 3HB PHE 92 -4.811 -8.012 -5.106 531 H ARG 93 H ARG 93 -4.744 -7.931 -9.609 532 HA ARG 93 HA ARG 93 -4.305 -9.637 -11.000 533 HE ARG 93 HE ARG 93 -2.791 -11.346 -6.274 534 HB2 ARG 93 2HB ARG 93 -2.443 -10.801 -10.550 535 HB3 ARG 93 3HB ARG 93 -2.393 -9.846 -9.088 536 HG2 ARG 93 2HG ARG 93 -3.836 -11.949 -8.118 537 HG3 ARG 93 3HG ARG 93 -3.075 -12.744 -9.489 538 HD2 ARG 93 2HD ARG 93 -1.496 -13.168 -7.914 539 HD3 ARG 93 3HD ARG 93 -0.874 -11.609 -8.474 540 HH11 ARG 93 2HH2 ARG 93 0.596 -11.864 -6.976 541 HH12 ARG 93 1HH2 ARG 93 1.099 -11.503 -5.338 542 HH21 ARG 93 2HH1 ARG 93 -2.081 -11.164 -4.066 543 HH22 ARG 93 1HH1 ARG 93 -0.342 -11.143 -3.822 544 H GLY 94 H GLY 94 -6.215 -10.295 -8.314 545 HA2 GLY 94 2HA GLY 94 -8.176 -11.994 -9.217 546 HA3 GLY 94 3HA GLY 94 -6.853 -13.086 -8.784 547 H SER 95 H SER 95 -6.222 -10.662 -6.564 548 HA SER 95 HA SER 95 -8.226 -11.568 -4.561 549 HG SER 95 HG SER 95 -4.686 -12.007 -3.550 550 HB2 SER 95 2HB SER 95 -5.523 -10.157 -4.278 551 HB3 SER 95 3HB SER 95 -6.595 -10.724 -2.979 552 H VAL 96 H VAL 96 -8.350 -9.327 -3.134 553 HA VAL 96 HA VAL 96 -8.011 -6.980 -4.862 554 HB VAL 96 HB VAL 96 -10.008 -6.038 -4.947 555 HG11 VAL 96 1HG1 VAL 96 -11.806 -7.518 -5.492 556 HG12 VAL 96 2HG1 VAL 96 -10.292 -8.153 -6.135 557 HG13 VAL 96 3HG1 VAL 96 -10.998 -8.873 -4.665 558 HG21 VAL 96 3HG2 VAL 96 -10.440 -5.847 -2.544 559 HG22 VAL 96 1HG2 VAL 96 -11.852 -6.120 -3.553 560 HG23 VAL 96 2HG2 VAL 96 -11.187 -7.481 -2.632 561 H ILE 97 H ILE 97 -7.723 -5.005 -3.562 562 HA ILE 97 HA ILE 97 -7.444 -5.404 -0.607 563 HB ILE 97 HB ILE 97 -5.577 -3.605 -0.871 564 HG12 ILE 97 2HG1 ILE 97 -5.253 -5.069 -3.520 565 HG13 ILE 97 3HG1 ILE 97 -5.824 -3.406 -3.357 566 HG21 ILE 97 1HG2 ILE 97 -4.941 -6.512 -1.440 567 HG22 ILE 97 2HG2 ILE 97 -3.894 -5.280 -0.641 568 HG23 ILE 97 3HG2 ILE 97 -5.359 -5.836 0.152 569 HD11 ILE 97 3HD1 ILE 97 -3.051 -4.408 -2.608 570 HD12 ILE 97 1HD1 ILE 97 -3.494 -3.361 -3.962 571 HD13 ILE 97 2HD1 ILE 97 -3.672 -2.761 -2.301 572 H THR 98 H THR 98 -8.223 -3.884 0.601 573 HA THR 98 HA THR 98 -9.363 -1.316 -0.467 574 HB THR 98 HB THR 98 -9.701 -2.676 2.208 575 HG1 THR 98 1HG THR 98 -11.695 -3.378 1.413 576 HG21 THR 98 1HG2 THR 98 -11.630 -1.257 2.507 577 HG22 THR 98 2HG2 THR 98 -10.253 -0.215 2.112 578 HG23 THR 98 3HG2 THR 98 -11.466 -0.599 0.868 579 H VAL 99 H VAL 99 -8.494 0.601 0.385 580 HA VAL 99 HA VAL 99 -6.115 0.320 2.137 581 HB VAL 99 HB VAL 99 -4.646 1.513 0.737 582 HG11 VAL 99 1HG1 VAL 99 -5.962 -0.591 -1.018 583 HG12 VAL 99 2HG1 VAL 99 -4.262 -0.067 -1.016 584 HG13 VAL 99 3HG1 VAL 99 -4.931 -0.949 0.358 585 HG21 VAL 99 3HG2 VAL 99 -7.038 1.838 -1.028 586 HG22 VAL 99 1HG2 VAL 99 -5.928 3.071 -0.411 587 HG23 VAL 99 2HG2 VAL 99 -5.387 1.955 -1.671 588 H GLU 100 H GLU 100 -5.684 1.891 3.422 589 HA GLU 100 HA GLU 100 -6.881 4.595 3.202 590 HB2 GLU 100 2HB GLU 100 -8.315 4.380 5.180 591 HB3 GLU 100 3HB GLU 100 -8.890 3.339 3.893 592 HG2 GLU 100 2HG GLU 100 -7.226 2.347 6.257 593 HG3 GLU 100 3HG GLU 100 -8.975 2.461 6.278 594 H ARG 101 H ARG 101 -6.488 5.961 5.005 595 HA ARG 101 HA ARG 101 -3.809 5.658 6.069 596 HE ARG 101 HE ARG 101 -6.602 10.200 8.197 597 HB2 ARG 101 2HB ARG 101 -4.110 7.882 6.864 598 HB3 ARG 101 3HB ARG 101 -4.704 7.743 5.223 599 HG2 ARG 101 2HG ARG 101 -7.079 7.537 6.259 600 HG3 ARG 101 3HG ARG 101 -6.315 8.044 7.765 601 HD2 ARG 101 2HD ARG 101 -5.328 9.902 5.928 602 HD3 ARG 101 3HD ARG 101 -6.953 9.583 5.303 603 HH11 ARG 101 1HH1 ARG 101 -7.932 11.374 5.168 604 HH12 ARG 101 2HH1 ARG 101 -8.513 12.839 5.906 605 HH21 ARG 101 1HH2 ARG 101 -7.060 12.161 8.962 606 HH22 ARG 101 2HH2 ARG 101 -8.114 13.236 8.062 607 H ASP 102 H ASP 102 -3.049 5.329 7.969 608 HA ASP 102 HA ASP 102 -4.810 4.150 10.067 609 HB2 ASP 102 2HB ASP 102 -3.737 2.367 9.225 610 HB3 ASP 102 3HB ASP 102 -2.399 3.279 8.571 611 H ASP 103 H ASP 103 -2.429 6.643 9.603 612 HA ASP 103 HA ASP 103 -2.401 7.151 12.547 613 HB2 ASP 103 2HB ASP 103 -0.105 7.599 12.522 614 HB3 ASP 103 3HB ASP 103 -0.279 6.091 11.640 615 H ASN 104 H ASN 104 -3.831 8.353 10.056 616 HA ASN 104 HA ASN 104 -3.213 11.249 10.472 617 HB2 ASN 104 2HB ASN 104 -2.972 9.584 7.996 618 HB3 ASN 104 3HB ASN 104 -3.870 11.079 7.795 619 HD21 ASN 104 1HD2 ASN 104 -0.718 9.819 8.960 620 HD22 ASN 104 2HD2 ASN 104 0.142 11.311 8.586 Start of MODEL 9 1 HA PRO 25 HA PRO 25 10.786 16.025 6.649 2 HB2 PRO 25 2HB PRO 25 10.092 14.960 3.882 3 HB3 PRO 25 3HB PRO 25 11.458 16.026 4.354 4 HG2 PRO 25 2HG PRO 25 11.739 13.307 4.266 5 HG3 PRO 25 3HG PRO 25 12.527 14.277 5.548 6 HD2 PRO 25 2HD PRO 25 10.257 12.402 5.815 7 HD3 PRO 25 3HD PRO 25 11.318 13.092 7.058 8 H ALA 26 H ALA 26 9.028 16.650 3.823 9 HA ALA 26 HA ALA 26 7.402 18.744 4.807 10 HB1 ALA 26 1HB ALA 26 8.110 18.450 2.468 11 HB2 ALA 26 2HB ALA 26 7.134 16.970 2.335 12 HB3 ALA 26 3HB ALA 26 6.339 18.545 2.565 13 H LYS 27 H LYS 27 6.749 15.307 4.469 14 HA LYS 27 HA LYS 27 4.517 15.417 6.430 15 HB2 LYS 27 2HB LYS 27 4.170 14.865 3.606 16 HB3 LYS 27 3HB LYS 27 4.032 13.351 4.427 17 HG2 LYS 27 2HG LYS 27 2.446 15.842 5.181 18 HG3 LYS 27 3HG LYS 27 1.928 14.601 4.052 19 HD2 LYS 27 2HD LYS 27 2.314 12.921 6.011 20 HD3 LYS 27 3HD LYS 27 2.253 14.357 7.046 21 HE2 LYS 27 2HE LYS 27 0.097 13.326 5.154 22 HE3 LYS 27 3HE LYS 27 0.085 13.220 6.901 23 HZ1 LYS 27 3HZ LYS 27 -0.098 15.623 7.017 24 HZ2 LYS 27 1HZ LYS 27 0.025 15.786 5.377 25 HZ3 LYS 27 2HZ LYS 27 -1.266 15.060 6.040 26 H ARG 28 H ARG 28 4.145 13.338 7.323 27 HA ARG 28 HA ARG 28 5.539 10.974 6.525 28 HE ARG 28 HE ARG 28 8.819 8.593 8.118 29 HB2 ARG 28 2HB ARG 28 6.442 12.419 8.908 30 HB3 ARG 28 3HB ARG 28 5.624 10.920 9.416 31 HG2 ARG 28 2HG ARG 28 6.921 9.643 7.739 32 HG3 ARG 28 3HG ARG 28 7.714 11.160 7.243 33 HD2 ARG 28 2HD ARG 28 8.976 11.270 9.220 34 HD3 ARG 28 3HD ARG 28 7.802 10.296 10.132 35 HH11 ARG 28 2HH2 ARG 28 10.128 10.060 11.028 36 HH12 ARG 28 1HH2 ARG 28 11.192 8.704 11.299 37 HH21 ARG 28 1HH1 ARG 28 10.028 6.986 8.517 38 HH22 ARG 28 2HH1 ARG 28 11.186 6.967 9.855 39 H TYR 29 H TYR 29 4.062 9.542 6.334 40 HA TYR 29 HA TYR 29 1.643 9.497 8.075 41 HD1 TYR 29 HD2 TYR 29 0.723 7.093 5.087 42 HD2 TYR 29 HD1 TYR 29 2.503 10.842 3.798 43 HE1 TYR 29 HE2 TYR 29 1.429 6.013 2.996 44 HE2 TYR 29 HE1 TYR 29 2.926 9.819 1.628 45 HH TYR 29 HH TYR 29 2.219 6.322 0.944 46 HB2 TYR 29 2HB TYR 29 0.192 9.259 6.187 47 HB3 TYR 29 3HB TYR 29 1.125 10.699 5.880 48 H ARG 30 H ARG 30 0.502 7.470 7.887 49 HA ARG 30 HA ARG 30 2.024 5.193 6.718 50 HE ARG 30 HE ARG 30 -0.373 2.267 9.855 51 HB2 ARG 30 2HB ARG 30 2.306 5.686 9.273 52 HB3 ARG 30 3HB ARG 30 0.697 5.035 9.416 53 HG2 ARG 30 2HG ARG 30 3.080 3.623 8.123 54 HG3 ARG 30 3HG ARG 30 2.725 3.498 9.831 55 HD2 ARG 30 2HD ARG 30 0.655 2.665 7.767 56 HD3 ARG 30 3HD ARG 30 1.979 1.617 8.224 57 HH11 ARG 30 2HH2 ARG 30 2.914 1.030 10.096 58 HH12 ARG 30 1HH2 ARG 30 2.552 0.203 11.581 59 HH21 ARG 30 1HH1 ARG 30 -0.741 1.234 11.626 60 HH22 ARG 30 2HH1 ARG 30 0.508 0.318 12.476 61 H ILE 31 H ILE 31 0.756 3.826 5.559 62 HA ILE 31 HA ILE 31 -2.203 3.978 5.942 63 HB ILE 31 HB ILE 31 -2.645 3.438 3.638 64 HG12 ILE 31 2HG1 ILE 31 0.231 3.979 2.890 65 HG13 ILE 31 3HG1 ILE 31 -0.428 2.342 3.105 66 HG21 ILE 31 1HG2 ILE 31 -0.965 5.956 3.850 67 HG22 ILE 31 2HG2 ILE 31 -2.173 5.598 2.602 68 HG23 ILE 31 3HG2 ILE 31 -2.681 5.773 4.276 69 HD11 ILE 31 3HD1 ILE 31 -1.318 4.328 1.029 70 HD12 ILE 31 1HD1 ILE 31 -0.469 2.790 0.801 71 HD13 ILE 31 2HD1 ILE 31 -2.144 2.789 1.405 72 H THR 32 H THR 32 -3.363 2.239 5.710 73 HA THR 32 HA THR 32 -2.140 -0.513 5.981 74 HB THR 32 HB THR 32 -4.841 0.675 6.577 75 HG1 THR 32 1HG THR 32 -4.206 0.368 8.669 76 HG21 THR 32 1HG2 THR 32 -3.777 -2.183 6.931 77 HG22 THR 32 2HG2 THR 32 -5.276 -1.580 7.670 78 HG23 THR 32 3HG2 THR 32 -5.148 -1.680 5.905 79 H MET 33 H MET 33 -2.404 -1.947 4.543 80 HA MET 33 HA MET 33 -4.464 -1.632 2.505 81 HB2 MET 33 2HB MET 33 -1.636 -2.531 1.758 82 HB3 MET 33 3HB MET 33 -3.020 -2.257 0.696 83 HG2 MET 33 2HG MET 33 -2.918 0.193 1.570 84 HG3 MET 33 3HG MET 33 -1.328 -0.237 2.155 85 HE1 MET 33 3HE MET 33 -0.062 -1.410 -1.607 86 HE2 MET 33 1HE MET 33 -0.060 -1.930 0.097 87 HE3 MET 33 2HE MET 33 -1.477 -2.252 -0.920 88 H LYS 34 H LYS 34 -5.732 -3.232 2.763 89 HA LYS 34 HA LYS 34 -4.919 -5.968 3.719 90 HB2 LYS 34 2HB LYS 34 -4.808 -4.274 5.543 91 HB3 LYS 34 3HB LYS 34 -6.237 -3.492 4.855 92 HG2 LYS 34 2HG LYS 34 -6.751 -6.056 6.066 93 HG3 LYS 34 3HG LYS 34 -6.303 -4.647 7.074 94 HD2 LYS 34 2HD LYS 34 -8.572 -4.513 5.021 95 HD3 LYS 34 3HD LYS 34 -8.835 -4.940 6.643 96 HE2 LYS 34 2HE LYS 34 -9.143 -2.680 6.925 97 HE3 LYS 34 3HE LYS 34 -7.377 -2.591 6.982 98 HZ1 LYS 34 3HZ LYS 34 -8.189 -2.533 4.280 99 HZ2 LYS 34 1HZ LYS 34 -9.031 -1.374 5.135 100 HZ3 LYS 34 2HZ LYS 34 -7.457 -1.352 5.150 101 H ASN 35 H ASN 35 -6.877 -7.432 3.648 102 HA ASN 35 HA ASN 35 -9.299 -6.035 3.832 103 HB2 ASN 35 2HB ASN 35 -9.702 -5.517 1.669 104 HB3 ASN 35 3HB ASN 35 -8.397 -6.513 1.159 105 HD21 ASN 35 2HD2 ASN 35 -8.729 -8.471 0.265 106 HD22 ASN 35 1HD2 ASN 35 -10.349 -9.077 -0.121 107 H LEU 36 H LEU 36 -8.533 -9.320 2.465 108 HA LEU 36 HA LEU 36 -9.511 -10.566 4.872 109 HG LEU 36 HG LEU 36 -10.794 -12.801 2.306 110 HB2 LEU 36 2HB LEU 36 -11.462 -11.482 4.341 111 HB3 LEU 36 3HB LEU 36 -11.643 -10.056 3.363 112 HD11 LEU 36 1HD1 LEU 36 -13.502 -11.413 2.249 113 HD12 LEU 36 2HD1 LEU 36 -13.100 -12.961 1.474 114 HD13 LEU 36 3HD1 LEU 36 -13.070 -12.827 3.239 115 HD21 LEU 36 3HD2 LEU 36 -11.438 -11.907 0.099 116 HD22 LEU 36 1HD2 LEU 36 -11.760 -10.318 0.831 117 HD23 LEU 36 2HD2 LEU 36 -10.105 -10.985 0.789 118 HA PRO 37 HA PRO 37 -6.496 -13.367 4.936 119 HB2 PRO 37 2HB PRO 37 -8.253 -15.461 3.642 120 HB3 PRO 37 3HB PRO 37 -6.946 -15.695 4.864 121 HG2 PRO 37 2HG PRO 37 -9.472 -15.384 5.729 122 HG3 PRO 37 3HG PRO 37 -8.165 -14.439 6.513 123 HD2 PRO 37 2HD PRO 37 -10.187 -13.548 4.476 124 HD3 PRO 37 3HD PRO 37 -9.563 -12.655 5.884 125 H GLU 38 H GLU 38 -5.743 -11.683 3.173 126 HA GLU 38 HA GLU 38 -4.441 -13.328 1.094 127 HB2 GLU 38 2HB GLU 38 -4.416 -11.609 -0.414 128 HB3 GLU 38 3HB GLU 38 -6.063 -11.669 0.190 129 HG2 GLU 38 2HG GLU 38 -3.961 -9.669 1.113 130 HG3 GLU 38 3HG GLU 38 -5.044 -9.389 -0.233 131 H GLY 39 H GLY 39 -3.661 -12.321 3.821 132 HA2 GLY 39 2HA GLY 39 -1.648 -11.863 4.811 133 HA3 GLY 39 3HA GLY 39 -1.511 -13.486 4.168 134 H CYS 40 H CYS 40 -1.139 -10.290 2.655 135 HA CYS 40 HA CYS 40 0.652 -11.036 0.777 136 HG CYS 40 HG CYS 40 -1.526 -10.033 0.238 137 HB2 CYS 40 2HB CYS 40 0.628 -8.201 1.903 138 HB3 CYS 40 3HB CYS 40 1.002 -8.731 0.264 139 H SER 41 H SER 41 2.811 -10.224 0.230 140 HA SER 41 HA SER 41 4.789 -10.034 2.480 141 HG SER 41 HG SER 41 4.043 -12.353 0.113 142 HB2 SER 41 2HB SER 41 5.528 -10.836 -0.332 143 HB3 SER 41 3HB SER 41 6.377 -11.160 1.188 144 H TRP 42 H TRP 42 6.658 -8.514 2.032 145 HA TRP 42 HA TRP 42 5.680 -6.126 0.846 146 HD1 TRP 42 HD1 TRP 42 10.187 -4.759 1.417 147 HE1 TRP 42 HE1 TRP 42 10.146 -2.390 0.448 148 HE3 TRP 42 HE3 TRP 42 5.121 -4.226 0.672 149 HZ2 TRP 42 HZ2 TRP 42 8.194 -0.612 -0.772 150 HZ3 TRP 42 HZ3 TRP 42 4.246 -2.278 -0.520 151 HH2 TRP 42 HH2 TRP 42 5.736 -0.452 -1.208 152 HB2 TRP 42 2HB TRP 42 7.373 -6.076 2.585 153 HB3 TRP 42 3HB TRP 42 8.558 -6.737 1.497 154 H GLN 43 H GLN 43 7.688 -8.665 -0.622 155 HA GLN 43 HA GLN 43 7.985 -7.100 -2.969 156 HB2 GLN 43 2HB GLN 43 9.047 -8.940 -3.980 157 HB3 GLN 43 3HB GLN 43 9.414 -9.090 -2.276 158 HG2 GLN 43 2HG GLN 43 8.797 -11.248 -2.547 159 HG3 GLN 43 3HG GLN 43 7.155 -10.654 -2.373 160 HE21 GLN 43 2HE2 GLN 43 5.782 -11.461 -4.068 161 HE22 GLN 43 1HE2 GLN 43 6.396 -11.846 -5.672 162 H ASP 44 H ASP 44 5.240 -8.646 -1.845 163 HA ASP 44 HA ASP 44 3.984 -9.128 -4.470 164 HB2 ASP 44 2HB ASP 44 2.854 -9.099 -1.621 165 HB3 ASP 44 3HB ASP 44 2.077 -9.558 -3.078 166 H LEU 45 H LEU 45 3.715 -6.959 -1.614 167 HA LEU 45 HA LEU 45 1.854 -5.190 -2.927 168 HG LEU 45 HG LEU 45 1.453 -6.575 -0.298 169 HB2 LEU 45 2HB LEU 45 3.452 -5.167 -0.362 170 HB3 LEU 45 3HB LEU 45 2.510 -3.783 -0.865 171 HD11 LEU 45 1HD1 LEU 45 0.969 -3.875 1.007 172 HD12 LEU 45 2HD1 LEU 45 0.317 -5.453 1.548 173 HD13 LEU 45 3HD1 LEU 45 2.059 -5.133 1.621 174 HD21 LEU 45 3HD2 LEU 45 -0.051 -4.112 -1.283 175 HD22 LEU 45 1HD2 LEU 45 0.017 -5.694 -2.061 176 HD23 LEU 45 2HD2 LEU 45 -0.834 -5.523 -0.536 177 H LYS 46 H LYS 46 5.402 -5.166 -2.762 178 HA LYS 46 HA LYS 46 5.867 -2.662 -4.191 179 HB2 LYS 46 2HB LYS 46 7.279 -5.318 -3.936 180 HB3 LYS 46 3HB LYS 46 7.717 -4.314 -5.287 181 HG2 LYS 46 2HG LYS 46 7.834 -3.303 -2.431 182 HG3 LYS 46 3HG LYS 46 9.145 -4.160 -3.217 183 HD2 LYS 46 2HD LYS 46 9.847 -2.075 -3.703 184 HD3 LYS 46 3HD LYS 46 8.859 -2.328 -5.129 185 HE2 LYS 46 2HE LYS 46 7.283 -0.741 -4.466 186 HE3 LYS 46 3HE LYS 46 7.403 -1.221 -2.789 187 HZ1 LYS 46 3HZ LYS 46 8.292 0.949 -2.953 188 HZ2 LYS 46 1HZ LYS 46 9.595 -0.008 -2.740 189 HZ3 LYS 46 2HZ LYS 46 9.258 0.637 -4.205 190 H ASP 47 H ASP 47 5.531 -5.957 -5.493 191 HA ASP 47 HA ASP 47 5.358 -5.275 -8.192 192 HB2 ASP 47 2HB ASP 47 5.491 -7.571 -7.585 193 HB3 ASP 47 3HB ASP 47 4.047 -7.530 -6.619 194 H LEU 48 H LEU 48 2.400 -5.696 -6.198 195 HA LEU 48 HA LEU 48 0.893 -4.644 -8.289 196 HG LEU 48 HG LEU 48 -1.604 -3.922 -7.660 197 HB2 LEU 48 2HB LEU 48 -0.236 -5.816 -6.591 198 HB3 LEU 48 3HB LEU 48 0.246 -4.684 -5.326 199 HD11 LEU 48 1HD1 LEU 48 -2.849 -5.522 -6.493 200 HD12 LEU 48 2HD1 LEU 48 -2.210 -5.021 -4.889 201 HD13 LEU 48 3HD1 LEU 48 -3.385 -4.026 -5.722 202 HD21 LEU 48 3HD2 LEU 48 -0.936 -2.623 -5.043 203 HD22 LEU 48 1HD2 LEU 48 -0.818 -1.955 -6.709 204 HD23 LEU 48 2HD2 LEU 48 -2.382 -2.214 -6.012 205 H ALA 49 H ALA 49 2.392 -2.841 -5.545 206 HA ALA 49 HA ALA 49 1.285 -0.343 -6.164 207 HB1 ALA 49 1HB ALA 49 2.448 -0.621 -4.146 208 HB2 ALA 49 2HB ALA 49 3.918 -1.249 -4.970 209 HB3 ALA 49 3HB ALA 49 3.496 0.462 -5.098 210 H ARG 50 H ARG 50 4.003 -1.986 -7.740 211 HA ARG 50 HA ARG 50 4.799 0.371 -9.263 212 HE ARG 50 HE ARG 50 5.959 1.207 -7.433 213 HB2 ARG 50 2HB ARG 50 5.569 -2.443 -10.006 214 HB3 ARG 50 3HB ARG 50 6.413 -0.935 -10.319 215 HG2 ARG 50 2HG ARG 50 6.497 -2.729 -8.018 216 HG3 ARG 50 3HG ARG 50 7.743 -1.724 -8.621 217 HD2 ARG 50 2HD ARG 50 5.615 -0.862 -6.650 218 HD3 ARG 50 3HD ARG 50 7.244 -1.180 -6.343 219 HH11 ARG 50 1HH2 ARG 50 9.190 -0.220 -7.397 220 HH12 ARG 50 2HH2 ARG 50 9.882 1.379 -7.569 221 HH21 ARG 50 1HH1 ARG 50 6.922 3.007 -7.876 222 HH22 ARG 50 2HH1 ARG 50 8.686 3.104 -7.847 223 H GLU 51 H GLU 51 2.700 -2.354 -9.681 224 HA GLU 51 HA GLU 51 1.797 -1.848 -12.390 225 HB2 GLU 51 2HB GLU 51 0.085 -2.955 -10.148 226 HB3 GLU 51 3HB GLU 51 -0.325 -2.924 -11.770 227 HG2 GLU 51 2HG GLU 51 2.103 -4.280 -10.587 228 HG3 GLU 51 3HG GLU 51 0.653 -5.127 -10.797 229 H ASN 52 H ASN 52 1.063 -0.355 -9.412 230 HA ASN 52 HA ASN 52 -1.258 1.091 -10.541 231 HB2 ASN 52 2HB ASN 52 -0.310 -0.083 -7.945 232 HB3 ASN 52 3HB ASN 52 -1.320 1.245 -7.846 233 HD21 ASN 52 2HD2 ASN 52 -1.104 -2.030 -8.895 234 HD22 ASN 52 1HD2 ASN 52 -2.848 -2.286 -8.903 235 H SER 53 H SER 53 1.876 1.998 -9.393 236 HA SER 53 HA SER 53 2.861 3.973 -10.158 237 HG SER 53 HG SER 53 -0.064 4.533 -11.375 238 HB2 SER 53 2HB SER 53 0.350 5.543 -9.474 239 HB3 SER 53 3HB SER 53 1.863 6.152 -10.144 240 H LEU 54 H LEU 54 2.224 2.668 -7.408 241 HA LEU 54 HA LEU 54 3.068 4.853 -5.556 242 HG LEU 54 HG LEU 54 0.417 2.769 -4.061 243 HB2 LEU 54 2HB LEU 54 2.071 2.048 -5.284 244 HB3 LEU 54 3HB LEU 54 3.170 2.564 -4.061 245 HD11 LEU 54 1HD1 LEU 54 1.896 2.588 -2.058 246 HD12 LEU 54 2HD1 LEU 54 2.454 4.242 -2.359 247 HD13 LEU 54 3HD1 LEU 54 0.798 3.953 -1.863 248 HD21 LEU 54 3HD2 LEU 54 1.481 5.612 -4.273 249 HD22 LEU 54 1HD2 LEU 54 0.428 4.796 -5.462 250 HD23 LEU 54 2HD2 LEU 54 -0.142 5.119 -3.822 251 H GLU 55 H GLU 55 4.787 4.301 -4.135 252 HA GLU 55 HA GLU 55 6.988 2.582 -4.990 253 HB2 GLU 55 2HB GLU 55 7.357 4.699 -6.208 254 HB3 GLU 55 3HB GLU 55 7.150 5.605 -4.723 255 HG2 GLU 55 2HG GLU 55 9.408 5.533 -5.201 256 HG3 GLU 55 3HG GLU 55 9.197 4.551 -3.776 257 H THR 56 H THR 56 6.348 5.213 -2.975 258 HA THR 56 HA THR 56 6.484 5.761 -0.771 259 HB THR 56 HB THR 56 5.678 4.405 0.882 260 HG1 THR 56 1HG THR 56 6.494 2.236 -0.730 261 HG21 THR 56 1HG2 THR 56 4.363 3.202 -1.529 262 HG22 THR 56 2HG2 THR 56 3.735 3.282 0.117 263 HG23 THR 56 3HG2 THR 56 3.966 4.765 -0.755 264 H THR 57 H THR 57 7.681 4.938 1.491 265 HA THR 57 HA THR 57 10.564 4.683 0.869 266 HB THR 57 HB THR 57 9.187 4.501 3.582 267 HG1 THR 57 1HG THR 57 9.087 6.568 3.700 268 HG21 THR 57 1HG2 THR 57 11.566 3.936 3.636 269 HG22 THR 57 2HG2 THR 57 11.962 5.453 2.782 270 HG23 THR 57 3HG2 THR 57 11.273 5.494 4.422 271 H PHE 58 H PHE 58 7.942 2.892 2.466 272 HA PHE 58 HA PHE 58 9.104 0.263 2.226 273 HD1 PHE 58 HD1 PHE 58 9.000 3.331 5.541 274 HD2 PHE 58 HD2 PHE 58 8.901 -0.962 5.959 275 HE1 PHE 58 HE1 PHE 58 8.022 3.562 7.820 276 HE2 PHE 58 HE2 PHE 58 7.877 -0.725 8.202 277 HZ PHE 58 HZ PHE 58 7.432 1.540 9.133 278 HB2 PHE 58 2HB PHE 58 10.165 0.092 4.189 279 HB3 PHE 58 3HB PHE 58 10.351 1.803 4.083 280 H SER 59 H SER 59 7.903 -1.304 3.605 281 HA SER 59 HA SER 59 5.406 -0.336 4.841 282 HG SER 59 HG SER 59 4.084 -3.208 4.151 283 HB2 SER 59 2HB SER 59 4.661 -0.876 2.706 284 HB3 SER 59 3HB SER 59 5.520 -2.409 2.657 285 H SER 60 H SER 60 4.729 -1.596 6.527 286 HA SER 60 HA SER 60 6.345 -3.912 7.459 287 HG SER 60 HG SER 60 4.149 -4.907 9.364 288 HB2 SER 60 2HB SER 60 5.143 -2.273 9.005 289 HB3 SER 60 3HB SER 60 3.618 -2.983 8.435 290 H VAL 61 H VAL 61 6.033 -5.831 6.341 291 HA VAL 61 HA VAL 61 3.307 -6.821 6.026 292 HB VAL 61 HB VAL 61 4.946 -7.555 3.665 293 HG11 VAL 61 1HG1 VAL 61 2.857 -7.634 2.551 294 HG12 VAL 61 2HG1 VAL 61 2.458 -8.167 4.201 295 HG13 VAL 61 3HG1 VAL 61 2.093 -6.533 3.685 296 HG21 VAL 61 3HG2 VAL 61 3.686 -4.822 3.698 297 HG22 VAL 61 1HG2 VAL 61 5.431 -5.155 3.540 298 HG23 VAL 61 2HG2 VAL 61 4.274 -5.652 2.283 299 H ASN 62 H ASN 62 3.558 -9.265 5.172 300 HA ASN 62 HA ASN 62 4.174 -11.372 5.657 301 HB2 ASN 62 2HB ASN 62 6.846 -10.333 6.642 302 HB3 ASN 62 3HB ASN 62 6.443 -11.995 6.268 303 HD21 ASN 62 1HD2 ASN 62 7.495 -8.953 5.014 304 HD22 ASN 62 2HD2 ASN 62 7.923 -9.604 3.437 305 H THR 63 H THR 63 4.282 -8.900 8.077 306 HA THR 63 HA THR 63 4.305 -10.467 10.475 307 HB THR 63 HB THR 63 3.135 -8.441 11.437 308 HG1 THR 63 1HG THR 63 2.132 -7.368 9.934 309 HG21 THR 63 1HG2 THR 63 5.603 -7.831 9.750 310 HG22 THR 63 2HG2 THR 63 5.059 -6.962 11.204 311 HG23 THR 63 3HG2 THR 63 5.622 -8.638 11.340 312 H ARG 64 H ARG 64 2.624 -11.309 11.724 313 HA ARG 64 HA ARG 64 0.647 -12.526 10.058 314 HE ARG 64 HE ARG 64 -1.495 -16.520 11.301 315 HB2 ARG 64 2HB ARG 64 1.928 -13.598 11.980 316 HB3 ARG 64 3HB ARG 64 0.848 -12.754 13.081 317 HG2 ARG 64 2HG ARG 64 0.136 -15.060 12.808 318 HG3 ARG 64 3HG ARG 64 -1.086 -13.998 12.125 319 HD2 ARG 64 2HD ARG 64 0.063 -14.449 9.833 320 HD3 ARG 64 3HD ARG 64 0.928 -15.745 10.660 321 HH11 ARG 64 1HH1 ARG 64 -0.806 -14.960 8.235 322 HH12 ARG 64 2HH1 ARG 64 -2.140 -15.725 7.437 323 HH21 ARG 64 2HH2 ARG 64 -3.305 -17.311 10.227 324 HH22 ARG 64 1HH2 ARG 64 -3.601 -16.765 8.591 325 H ASP 65 H ASP 65 0.348 -9.656 11.829 326 HA ASP 65 HA ASP 65 -1.508 -8.324 12.401 327 HB2 ASP 65 2HB ASP 65 -1.785 -9.041 9.471 328 HB3 ASP 65 3HB ASP 65 -2.466 -7.608 10.196 329 H PHE 66 H PHE 66 -3.938 -8.829 10.315 330 HA PHE 66 HA PHE 66 -5.609 -10.486 12.100 331 HD1 PHE 66 HD1 PHE 66 -7.829 -11.401 8.940 332 HD2 PHE 66 HD2 PHE 66 -5.153 -8.074 8.439 333 HE1 PHE 66 HE1 PHE 66 -7.632 -11.917 6.545 334 HE2 PHE 66 HE2 PHE 66 -4.951 -8.618 5.994 335 HZ PHE 66 HZ PHE 66 -6.177 -10.540 5.047 336 HB2 PHE 66 2HB PHE 66 -7.397 -9.898 10.769 337 HB3 PHE 66 3HB PHE 66 -6.398 -8.466 10.613 338 H ASP 67 H ASP 67 -3.814 -10.721 9.113 339 HA ASP 67 HA ASP 67 -3.357 -13.546 9.297 340 HB2 ASP 67 2HB ASP 67 -5.587 -13.407 8.007 341 HB3 ASP 67 3HB ASP 67 -4.691 -12.589 6.722 342 H GLY 68 H GLY 68 -3.294 -10.628 7.239 343 HA2 GLY 68 2HA GLY 68 -0.705 -9.849 7.757 344 HA3 GLY 68 3HA GLY 68 -0.523 -10.842 6.341 345 H THR 69 H THR 69 -0.646 -7.829 7.197 346 HA THR 69 HA THR 69 -2.070 -6.787 4.769 347 HB THR 69 HB THR 69 -2.619 -4.806 5.961 348 HG1 THR 69 1HG THR 69 -1.046 -5.868 8.060 349 HG21 THR 69 1HG2 THR 69 -4.077 -5.517 7.779 350 HG22 THR 69 2HG2 THR 69 -4.198 -6.608 6.388 351 HG23 THR 69 3HG2 THR 69 -3.273 -7.099 7.830 352 H GLY 70 H GLY 70 -1.212 -4.784 3.985 353 HA2 GLY 70 2HA GLY 70 1.712 -4.364 4.378 354 HA3 GLY 70 3HA GLY 70 0.695 -3.610 3.143 355 H ALA 71 H ALA 71 2.406 -2.584 5.482 356 HA ALA 71 HA ALA 71 0.494 -0.415 5.881 357 HB1 ALA 71 1HB ALA 71 0.777 -0.182 8.191 358 HB2 ALA 71 2HB ALA 71 0.542 -1.908 7.960 359 HB3 ALA 71 3HB ALA 71 2.181 -1.273 8.247 360 H LEU 72 H LEU 72 1.368 0.826 4.428 361 HA LEU 72 HA LEU 72 4.188 1.078 3.807 362 HG LEU 72 HG LEU 72 2.044 1.468 0.743 363 HB2 LEU 72 2HB LEU 72 1.740 2.446 2.868 364 HB3 LEU 72 3HB LEU 72 3.284 2.820 2.292 365 HD11 LEU 72 1HD1 LEU 72 4.059 1.058 -0.021 366 HD12 LEU 72 2HD1 LEU 72 4.770 0.934 1.581 367 HD13 LEU 72 3HD1 LEU 72 3.992 -0.466 0.816 368 HD21 LEU 72 3HD2 LEU 72 0.790 0.053 2.270 369 HD22 LEU 72 1HD2 LEU 72 1.623 -0.862 1.000 370 HD23 LEU 72 2HD2 LEU 72 2.262 -0.855 2.644 371 H GLU 73 H GLU 73 5.311 3.069 3.821 372 HA GLU 73 HA GLU 73 4.090 5.467 5.205 373 HB2 GLU 73 2HB GLU 73 5.497 4.322 6.852 374 HB3 GLU 73 3HB GLU 73 6.854 4.326 5.730 375 HG2 GLU 73 2HG GLU 73 5.837 7.054 6.253 376 HG3 GLU 73 3HG GLU 73 6.293 6.208 7.717 377 H PHE 74 H PHE 74 4.752 7.510 4.352 378 HA PHE 74 HA PHE 74 7.164 7.609 2.726 379 HD1 PHE 74 HD1 PHE 74 7.829 7.001 0.727 380 HD2 PHE 74 HD2 PHE 74 5.523 10.497 -0.117 381 HE1 PHE 74 HE1 PHE 74 9.544 7.702 -0.914 382 HE2 PHE 74 HE2 PHE 74 7.287 11.294 -1.664 383 HZ PHE 74 HZ PHE 74 9.291 9.883 -2.095 384 HB2 PHE 74 2HB PHE 74 4.870 7.433 1.166 385 HB3 PHE 74 3HB PHE 74 4.867 9.103 1.572 386 HA PRO 75 HA PRO 75 7.473 11.735 4.483 387 HB2 PRO 75 2HB PRO 75 9.087 12.216 1.968 388 HB3 PRO 75 3HB PRO 75 9.423 12.757 3.639 389 HG2 PRO 75 2HG PRO 75 10.679 10.578 2.689 390 HG3 PRO 75 3HG PRO 75 9.934 10.504 4.331 391 HD2 PRO 75 2HD PRO 75 8.805 9.543 1.698 392 HD3 PRO 75 3HD PRO 75 8.881 8.697 3.278 393 H SER 76 H SER 76 5.646 11.267 1.555 394 HA SER 76 HA SER 76 4.676 14.097 1.705 395 HG SER 76 HG SER 76 6.898 14.441 0.613 396 HB2 SER 76 2HB SER 76 5.215 12.700 -0.858 397 HB3 SER 76 3HB SER 76 4.801 14.402 -0.624 398 H GLU 77 H GLU 77 2.531 14.056 1.960 399 HA GLU 77 HA GLU 77 0.987 11.736 1.774 400 HB2 GLU 77 2HB GLU 77 -0.990 13.189 2.046 401 HB3 GLU 77 3HB GLU 77 0.304 13.449 3.200 402 HG2 GLU 77 2HG GLU 77 1.025 15.425 1.643 403 HG3 GLU 77 3HG GLU 77 -0.566 15.216 0.890 404 H GLU 78 H GLU 78 1.964 13.567 -0.892 405 HA GLU 78 HA GLU 78 -0.050 13.206 -2.827 406 HB2 GLU 78 2HB GLU 78 2.956 12.754 -3.086 407 HB3 GLU 78 3HB GLU 78 1.853 13.063 -4.422 408 HG2 GLU 78 2HG GLU 78 2.329 15.066 -2.159 409 HG3 GLU 78 3HG GLU 78 3.314 14.994 -3.596 410 H ILE 79 H ILE 79 2.419 10.868 -1.710 411 HA ILE 79 HA ILE 79 1.576 8.719 -3.451 412 HB ILE 79 HB ILE 79 3.320 8.684 -0.954 413 HG12 ILE 79 2HG1 ILE 79 3.827 9.735 -3.649 414 HG13 ILE 79 3HG1 ILE 79 4.527 10.151 -2.150 415 HG21 ILE 79 1HG2 ILE 79 4.308 6.647 -1.786 416 HG22 ILE 79 2HG2 ILE 79 2.571 6.426 -1.674 417 HG23 ILE 79 3HG2 ILE 79 3.311 6.707 -3.265 418 HD11 ILE 79 3HD1 ILE 79 6.014 8.071 -2.378 419 HD12 ILE 79 1HD1 ILE 79 5.299 7.835 -3.991 420 HD13 ILE 79 2HD1 ILE 79 6.230 9.295 -3.641 421 H LEU 80 H LEU 80 0.846 9.612 -0.131 422 HA LEU 80 HA LEU 80 -0.565 7.326 0.690 423 HG LEU 80 HG LEU 80 -2.729 10.131 1.740 424 HB2 LEU 80 2HB LEU 80 -0.141 8.670 2.440 425 HB3 LEU 80 3HB LEU 80 -0.256 10.134 1.541 426 HD11 LEU 80 1HD1 LEU 80 -3.851 8.724 3.261 427 HD12 LEU 80 2HD1 LEU 80 -2.938 7.632 2.213 428 HD13 LEU 80 3HD1 LEU 80 -2.333 8.009 3.849 429 HD21 LEU 80 3HD2 LEU 80 -2.795 10.758 4.085 430 HD22 LEU 80 1HD2 LEU 80 -1.243 9.945 4.379 431 HD23 LEU 80 2HD2 LEU 80 -1.313 11.378 3.337 432 H VAL 81 H VAL 81 -1.636 10.356 -0.866 433 HA VAL 81 HA VAL 81 -4.480 9.723 -0.854 434 HB VAL 81 HB VAL 81 -2.795 11.895 -2.206 435 HG11 VAL 81 1HG1 VAL 81 -4.921 13.124 -2.658 436 HG12 VAL 81 2HG1 VAL 81 -4.788 11.650 -3.616 437 HG13 VAL 81 3HG1 VAL 81 -5.840 11.680 -2.178 438 HG21 VAL 81 3HG2 VAL 81 -3.048 12.039 0.271 439 HG22 VAL 81 1HG2 VAL 81 -3.815 13.391 -0.564 440 HG23 VAL 81 2HG2 VAL 81 -4.810 12.056 0.069 441 H GLU 82 H GLU 82 -1.860 9.490 -3.202 442 HA GLU 82 HA GLU 82 -3.270 8.600 -5.419 443 HB2 GLU 82 2HB GLU 82 -0.609 8.378 -4.076 444 HB3 GLU 82 3HB GLU 82 -0.982 7.097 -5.071 445 HG2 GLU 82 2HG GLU 82 -0.721 10.022 -5.706 446 HG3 GLU 82 3HG GLU 82 0.362 8.730 -6.220 447 H ALA 83 H ALA 83 -1.673 6.389 -2.960 448 HA ALA 83 HA ALA 83 -3.114 4.077 -3.825 449 HB1 ALA 83 1HB ALA 83 -1.902 4.758 -1.151 450 HB2 ALA 83 2HB ALA 83 -2.674 3.186 -1.489 451 HB3 ALA 83 3HB ALA 83 -1.297 3.698 -2.460 452 H LEU 84 H LEU 84 -4.288 6.476 -1.509 453 HA LEU 84 HA LEU 84 -6.664 4.984 -0.605 454 HG LEU 84 HG LEU 84 -4.880 7.833 1.047 455 HB2 LEU 84 2HB LEU 84 -6.166 7.989 -0.702 456 HB3 LEU 84 3HB LEU 84 -7.527 7.243 0.022 457 HD11 LEU 84 1HD1 LEU 84 -6.032 7.715 3.165 458 HD12 LEU 84 2HD1 LEU 84 -6.995 8.595 1.970 459 HD13 LEU 84 3HD1 LEU 84 -7.429 6.918 2.392 460 HD21 LEU 84 3HD2 LEU 84 -4.341 5.508 0.848 461 HD22 LEU 84 1HD2 LEU 84 -4.728 5.845 2.542 462 HD23 LEU 84 2HD2 LEU 84 -5.933 5.035 1.454 463 H GLU 85 H GLU 85 -5.987 7.042 -3.406 464 HA GLU 85 HA GLU 85 -8.768 6.608 -4.250 465 HB2 GLU 85 2HB GLU 85 -6.539 8.355 -5.369 466 HB3 GLU 85 3HB GLU 85 -8.154 8.242 -6.087 467 HG2 GLU 85 2HG GLU 85 -9.171 9.170 -4.084 468 HG3 GLU 85 3HG GLU 85 -7.600 9.275 -3.288 469 H ARG 86 H ARG 86 -5.775 5.001 -4.746 470 HA ARG 86 HA ARG 86 -6.332 4.273 -7.604 471 HE ARG 86 HE ARG 86 -3.387 8.074 -8.665 472 HB2 ARG 86 2HB ARG 86 -3.890 4.887 -5.945 473 HB3 ARG 86 3HB ARG 86 -3.691 3.621 -6.942 474 HG2 ARG 86 2HG ARG 86 -2.950 5.646 -8.048 475 HG3 ARG 86 3HG ARG 86 -4.362 5.073 -8.949 476 HD2 ARG 86 2HD ARG 86 -5.843 6.619 -7.815 477 HD3 ARG 86 3HD ARG 86 -4.554 7.072 -6.681 478 HH11 ARG 86 1HH2 ARG 86 -6.835 8.284 -8.067 479 HH12 ARG 86 2HH2 ARG 86 -6.732 9.967 -7.621 480 HH21 ARG 86 2HH1 ARG 86 -3.430 10.276 -8.426 481 HH22 ARG 86 1HH1 ARG 86 -4.966 11.117 -8.262 482 H LEU 87 H LEU 87 -5.622 3.018 -4.372 483 HA LEU 87 HA LEU 87 -5.795 0.287 -5.370 484 HG LEU 87 HG LEU 87 -3.729 -0.494 -5.189 485 HB2 LEU 87 2HB LEU 87 -4.221 1.598 -3.172 486 HB3 LEU 87 3HB LEU 87 -4.717 -0.054 -3.024 487 HD11 LEU 87 1HD1 LEU 87 -3.054 2.348 -5.213 488 HD12 LEU 87 2HD1 LEU 87 -1.923 1.190 -5.907 489 HD13 LEU 87 3HD1 LEU 87 -3.604 1.200 -6.508 490 HD21 LEU 87 3HD2 LEU 87 -1.767 0.751 -3.228 491 HD22 LEU 87 1HD2 LEU 87 -2.393 -0.914 -3.143 492 HD23 LEU 87 2HD2 LEU 87 -1.354 -0.431 -4.492 493 H ASN 88 H ASN 88 -7.715 2.528 -3.633 494 HA ASN 88 HA ASN 88 -8.484 0.793 -1.608 495 HB2 ASN 88 2HB ASN 88 -8.811 3.269 -1.595 496 HB3 ASN 88 3HB ASN 88 -10.217 3.046 -2.652 497 HD21 ASN 88 2HD2 ASN 88 -11.583 3.889 -0.963 498 HD22 ASN 88 1HD2 ASN 88 -11.779 3.028 0.549 499 H ASN 89 H ASN 89 -9.181 -1.046 -1.740 500 HA ASN 89 HA ASN 89 -10.303 -2.885 -2.036 501 HB2 ASN 89 2HB ASN 89 -12.137 -1.439 -1.155 502 HB3 ASN 89 3HB ASN 89 -12.737 -1.238 -2.794 503 HD21 ASN 89 1HD2 ASN 89 -11.756 -3.668 -0.348 504 HD22 ASN 89 2HD2 ASN 89 -12.960 -4.869 -0.803 505 H ILE 90 H ILE 90 -8.625 -1.923 -4.086 506 HA ILE 90 HA ILE 90 -9.858 -2.851 -6.607 507 HB ILE 90 HB ILE 90 -7.868 -2.355 -7.791 508 HG12 ILE 90 2HG1 ILE 90 -6.068 -1.060 -6.739 509 HG13 ILE 90 3HG1 ILE 90 -6.377 -2.004 -5.257 510 HG21 ILE 90 1HG2 ILE 90 -8.526 -0.081 -5.861 511 HG22 ILE 90 2HG2 ILE 90 -7.943 0.054 -7.538 512 HG23 ILE 90 3HG2 ILE 90 -9.554 -0.584 -7.215 513 HD11 ILE 90 3HD1 ILE 90 -4.560 -2.680 -6.914 514 HD12 ILE 90 1HD1 ILE 90 -5.680 -3.991 -6.433 515 HD13 ILE 90 2HD1 ILE 90 -5.829 -3.186 -8.023 516 H GLU 91 H GLU 91 -9.482 -4.582 -7.701 517 HA GLU 91 HA GLU 91 -8.762 -6.951 -6.297 518 HB2 GLU 91 2HB GLU 91 -10.448 -6.804 -8.124 519 HB3 GLU 91 3HB GLU 91 -9.105 -6.499 -9.223 520 HG2 GLU 91 2HG GLU 91 -8.450 -8.880 -7.793 521 HG3 GLU 91 3HG GLU 91 -10.141 -9.032 -8.182 522 H PHE 92 H PHE 92 -6.899 -7.527 -5.774 523 HA PHE 92 HA PHE 92 -4.469 -6.668 -7.147 524 HD1 PHE 92 HD1 PHE 92 -2.275 -7.888 -6.854 525 HD2 PHE 92 HD2 PHE 92 -3.286 -7.535 -2.667 526 HE1 PHE 92 HE1 PHE 92 0.086 -8.245 -6.258 527 HE2 PHE 92 HE2 PHE 92 -0.899 -7.879 -2.085 528 HZ PHE 92 HZ PHE 92 0.778 -8.138 -3.911 529 HB2 PHE 92 2HB PHE 92 -4.701 -6.421 -4.739 530 HB3 PHE 92 3HB PHE 92 -5.019 -8.038 -4.478 531 H ARG 93 H ARG 93 -4.732 -8.031 -8.993 532 HA ARG 93 HA ARG 93 -4.548 -9.831 -10.328 533 HE ARG 93 HE ARG 93 1.341 -8.845 -9.585 534 HB2 ARG 93 2HB ARG 93 -2.484 -10.728 -8.273 535 HB3 ARG 93 3HB ARG 93 -2.617 -11.301 -9.939 536 HG2 ARG 93 2HG ARG 93 -2.227 -8.907 -10.706 537 HG3 ARG 93 3HG ARG 93 -1.784 -8.530 -9.027 538 HD2 ARG 93 2HD ARG 93 -0.159 -10.475 -9.112 539 HD3 ARG 93 3HD ARG 93 -0.499 -10.639 -10.829 540 HH11 ARG 93 2HH1 ARG 93 -1.003 -8.450 -12.219 541 HH12 ARG 93 1HH1 ARG 93 0.084 -7.287 -12.969 542 HH21 ARG 93 2HH2 ARG 93 2.655 -7.636 -10.841 543 HH22 ARG 93 1HH2 ARG 93 1.977 -6.958 -12.329 544 H GLY 94 H GLY 94 -6.519 -10.240 -8.047 545 HA2 GLY 94 2HA GLY 94 -7.977 -12.345 -8.308 546 HA3 GLY 94 3HA GLY 94 -6.544 -13.226 -7.796 547 H SER 95 H SER 95 -6.072 -10.674 -5.765 548 HA SER 95 HA SER 95 -8.088 -11.548 -3.740 549 HG SER 95 HG SER 95 -5.224 -12.447 -3.812 550 HB2 SER 95 2HB SER 95 -5.362 -10.188 -3.445 551 HB3 SER 95 3HB SER 95 -6.502 -10.527 -2.129 552 H VAL 96 H VAL 96 -7.992 -9.110 -2.371 553 HA VAL 96 HA VAL 96 -7.952 -6.938 -4.306 554 HB VAL 96 HB VAL 96 -9.938 -5.933 -4.091 555 HG11 VAL 96 1HG1 VAL 96 -11.780 -7.443 -4.607 556 HG12 VAL 96 2HG1 VAL 96 -10.339 -7.992 -5.437 557 HG13 VAL 96 3HG1 VAL 96 -10.868 -8.828 -3.975 558 HG21 VAL 96 3HG2 VAL 96 -10.249 -5.992 -1.658 559 HG22 VAL 96 1HG2 VAL 96 -11.711 -6.245 -2.605 560 HG23 VAL 96 2HG2 VAL 96 -10.926 -7.646 -1.856 561 H ILE 97 H ILE 97 -7.749 -4.770 -2.981 562 HA ILE 97 HA ILE 97 -7.272 -5.244 -0.067 563 HB ILE 97 HB ILE 97 -5.411 -3.498 -0.334 564 HG12 ILE 97 2HG1 ILE 97 -5.208 -4.827 -3.065 565 HG13 ILE 97 3HG1 ILE 97 -5.774 -3.174 -2.813 566 HG21 ILE 97 1HG2 ILE 97 -5.158 -5.794 0.552 567 HG22 ILE 97 2HG2 ILE 97 -4.826 -6.376 -1.092 568 HG23 ILE 97 3HG2 ILE 97 -3.728 -5.217 -0.289 569 HD11 ILE 97 3HD1 ILE 97 -3.618 -2.611 -1.723 570 HD12 ILE 97 1HD1 ILE 97 -2.994 -4.216 -2.208 571 HD13 ILE 97 2HD1 ILE 97 -3.479 -3.043 -3.441 572 H THR 98 H THR 98 -8.280 -3.917 1.139 573 HA THR 98 HA THR 98 -9.425 -1.341 0.147 574 HB THR 98 HB THR 98 -9.613 -2.586 2.882 575 HG1 THR 98 1HG THR 98 -11.655 -3.331 2.187 576 HG21 THR 98 1HG2 THR 98 -11.587 -1.173 3.150 577 HG22 THR 98 2HG2 THR 98 -10.206 -0.155 2.709 578 HG23 THR 98 3HG2 THR 98 -11.423 -0.575 1.487 579 H VAL 99 H VAL 99 -8.488 0.597 0.827 580 HA VAL 99 HA VAL 99 -6.039 0.376 2.495 581 HB VAL 99 HB VAL 99 -4.635 1.505 1.004 582 HG11 VAL 99 1HG1 VAL 99 -4.311 -0.124 -0.674 583 HG12 VAL 99 2HG1 VAL 99 -5.029 -0.974 0.691 584 HG13 VAL 99 3HG1 VAL 99 -6.033 -0.580 -0.707 585 HG21 VAL 99 3HG2 VAL 99 -5.848 3.059 -0.151 586 HG22 VAL 99 1HG2 VAL 99 -5.588 1.842 -1.410 587 HG23 VAL 99 2HG2 VAL 99 -7.139 1.919 -0.550 588 H GLU 100 H GLU 100 -5.543 2.011 3.695 589 HA GLU 100 HA GLU 100 -6.811 4.695 3.385 590 HB2 GLU 100 2HB GLU 100 -8.010 4.538 5.537 591 HB3 GLU 100 3HB GLU 100 -8.697 3.454 4.349 592 HG2 GLU 100 2HG GLU 100 -6.775 2.548 6.551 593 HG3 GLU 100 3HG GLU 100 -8.512 2.646 6.758 594 H ARG 101 H ARG 101 -6.251 6.216 4.808 595 HA ARG 101 HA ARG 101 -3.656 6.284 6.020 596 HE ARG 101 HE ARG 101 -8.954 9.873 5.545 597 HB2 ARG 101 2HB ARG 101 -4.423 8.398 6.937 598 HB3 ARG 101 3HB ARG 101 -4.810 8.259 5.230 599 HG2 ARG 101 2HG ARG 101 -7.185 7.460 6.076 600 HG3 ARG 101 3HG ARG 101 -6.663 8.150 7.616 601 HD2 ARG 101 2HD ARG 101 -6.184 10.317 6.361 602 HD3 ARG 101 3HD ARG 101 -6.778 9.561 4.898 603 HH11 ARG 101 2HH1 ARG 101 -7.016 10.380 8.451 604 HH12 ARG 101 1HH1 ARG 101 -8.356 11.103 9.294 605 HH21 ARG 101 1HH2 ARG 101 -10.608 10.768 6.721 606 HH22 ARG 101 2HH2 ARG 101 -10.330 11.270 8.366 607 H ASP 102 H ASP 102 -2.951 5.738 7.837 608 HA ASP 102 HA ASP 102 -4.730 4.510 9.899 609 HB2 ASP 102 2HB ASP 102 -3.469 3.031 8.288 610 HB3 ASP 102 3HB ASP 102 -1.967 3.620 8.993 611 H ASP 103 H ASP 103 -2.409 6.977 9.520 612 HA ASP 103 HA ASP 103 -2.230 7.234 12.484 613 HB2 ASP 103 2HB ASP 103 0.040 7.689 12.471 614 HB3 ASP 103 3HB ASP 103 -0.101 6.289 11.415 615 H ASN 104 H ASN 104 -3.377 8.704 9.751 616 HA ASN 104 HA ASN 104 -3.368 11.390 10.961 617 HB2 ASN 104 2HB ASN 104 -1.443 11.157 9.281 618 HB3 ASN 104 3HB ASN 104 -2.671 10.959 8.034 619 HD21 ASN 104 2HD2 ASN 104 -4.487 13.055 9.270 620 HD22 ASN 104 1HD2 ASN 104 -3.675 14.564 8.852 Start of MODEL 10 1 HA PRO 25 HA PRO 25 10.241 14.904 8.162 2 HB2 PRO 25 2HB PRO 25 10.172 13.908 5.278 3 HB3 PRO 25 3HB PRO 25 11.567 14.572 6.195 4 HG2 PRO 25 2HG PRO 25 10.822 11.842 6.023 5 HG3 PRO 25 3HG PRO 25 11.866 12.523 7.304 6 HD2 PRO 25 2HD PRO 25 9.294 11.398 7.720 7 HD3 PRO 25 3HD PRO 25 10.229 12.389 8.860 8 H ALA 26 H ALA 26 9.468 15.731 4.893 9 HA ALA 26 HA ALA 26 8.191 18.210 5.364 10 HB1 ALA 26 1HB ALA 26 7.525 17.984 2.978 11 HB2 ALA 26 2HB ALA 26 9.214 17.480 3.228 12 HB3 ALA 26 3HB ALA 26 7.933 16.258 3.023 13 H LYS 27 H LYS 27 6.852 15.048 4.693 14 HA LYS 27 HA LYS 27 4.488 15.452 6.444 15 HB2 LYS 27 2HB LYS 27 4.276 14.946 3.578 16 HB3 LYS 27 3HB LYS 27 3.949 13.460 4.392 17 HG2 LYS 27 2HG LYS 27 2.558 16.095 5.022 18 HG3 LYS 27 3HG LYS 27 1.946 14.805 3.990 19 HD2 LYS 27 2HD LYS 27 2.230 13.254 6.056 20 HD3 LYS 27 3HD LYS 27 2.350 14.747 7.004 21 HE2 LYS 27 2HE LYS 27 0.052 13.759 5.295 22 HE3 LYS 27 3HE LYS 27 0.115 13.805 7.048 23 HZ1 LYS 27 3HZ LYS 27 0.143 16.245 6.940 24 HZ2 LYS 27 1HZ LYS 27 0.159 16.231 5.296 25 HZ3 LYS 27 2HZ LYS 27 -1.137 15.697 6.090 26 H ARG 28 H ARG 28 3.890 13.432 7.397 27 HA ARG 28 HA ARG 28 5.355 11.059 6.606 28 HE ARG 28 HE ARG 28 4.199 9.631 11.307 29 HB2 ARG 28 2HB ARG 28 6.083 10.294 8.633 30 HB3 ARG 28 3HB ARG 28 6.838 11.833 8.397 31 HG2 ARG 28 2HG ARG 28 5.840 12.821 10.218 32 HG3 ARG 28 3HG ARG 28 4.350 11.885 10.107 33 HD2 ARG 28 2HD ARG 28 7.015 10.683 10.876 34 HD3 ARG 28 3HD ARG 28 5.844 11.293 12.050 35 HH11 ARG 28 2HH1 ARG 28 7.468 8.791 10.316 36 HH12 ARG 28 1HH1 ARG 28 6.936 7.259 9.647 37 HH21 ARG 28 1HH2 ARG 28 3.640 7.689 10.524 38 HH22 ARG 28 2HH2 ARG 28 4.843 6.693 9.687 39 H TYR 29 H TYR 29 4.082 9.376 6.624 40 HA TYR 29 HA TYR 29 1.611 9.371 8.198 41 HD1 TYR 29 HD2 TYR 29 0.554 7.045 5.214 42 HD2 TYR 29 HD1 TYR 29 2.444 10.759 3.980 43 HE1 TYR 29 HE2 TYR 29 1.194 5.985 3.071 44 HE2 TYR 29 HE1 TYR 29 2.816 9.785 1.793 45 HH TYR 29 HH TYR 29 2.651 7.831 0.441 46 HB2 TYR 29 2HB TYR 29 0.131 9.162 6.360 47 HB3 TYR 29 3HB TYR 29 1.073 10.608 6.059 48 H ARG 30 H ARG 30 0.646 7.305 8.168 49 HA ARG 30 HA ARG 30 1.977 5.077 6.715 50 HE ARG 30 HE ARG 30 3.748 0.814 8.140 51 HB2 ARG 30 2HB ARG 30 2.549 5.182 9.199 52 HB3 ARG 30 3HB ARG 30 0.840 5.016 9.518 53 HG2 ARG 30 2HG ARG 30 1.988 2.916 9.880 54 HG3 ARG 30 3HG ARG 30 0.856 2.740 8.529 55 HD2 ARG 30 2HD ARG 30 2.457 2.339 7.050 56 HD3 ARG 30 3HD ARG 30 3.520 3.621 7.631 57 HH11 ARG 30 2HH1 ARG 30 4.776 3.913 9.429 58 HH12 ARG 30 1HH1 ARG 30 5.721 3.167 10.684 59 HH21 ARG 30 2HH2 ARG 30 5.271 -0.036 9.604 60 HH22 ARG 30 1HH2 ARG 30 6.035 1.039 10.724 61 H ILE 31 H ILE 31 0.539 3.848 5.618 62 HA ILE 31 HA ILE 31 -2.384 4.131 6.170 63 HB ILE 31 HB ILE 31 -2.869 3.483 3.859 64 HG12 ILE 31 2HG1 ILE 31 0.067 3.839 3.218 65 HG13 ILE 31 3HG1 ILE 31 -0.755 2.278 3.407 66 HG21 ILE 31 1HG2 ILE 31 -2.854 5.844 4.396 67 HG22 ILE 31 2HG2 ILE 31 -1.138 5.969 3.951 68 HG23 ILE 31 3HG2 ILE 31 -2.362 5.579 2.725 69 HD11 ILE 31 3HD1 ILE 31 -0.622 2.693 1.077 70 HD12 ILE 31 1HD1 ILE 31 -2.319 2.923 1.559 71 HD13 ILE 31 2HD1 ILE 31 -1.261 4.331 1.250 72 H THR 32 H THR 32 -3.581 2.266 5.816 73 HA THR 32 HA THR 32 -2.116 -0.351 6.091 74 HB THR 32 HB THR 32 -4.749 0.672 7.169 75 HG1 THR 32 1HG THR 32 -3.708 0.498 9.064 76 HG21 THR 32 1HG2 THR 32 -5.058 -1.597 8.235 77 HG22 THR 32 2HG2 THR 32 -5.305 -1.552 6.485 78 HG23 THR 32 3HG2 THR 32 -3.794 -2.221 7.152 79 H MET 33 H MET 33 -2.626 -1.897 4.748 80 HA MET 33 HA MET 33 -4.928 -1.581 2.929 81 HB2 MET 33 2HB MET 33 -2.198 -2.661 2.101 82 HB3 MET 33 3HB MET 33 -3.560 -2.291 1.058 83 HG2 MET 33 2HG MET 33 -3.251 0.155 2.034 84 HG3 MET 33 3HG MET 33 -1.686 -0.450 2.493 85 HE1 MET 33 3HE MET 33 -0.423 -1.493 -1.160 86 HE2 MET 33 1HE MET 33 -0.487 -2.022 0.542 87 HE3 MET 33 2HE MET 33 -1.864 -2.343 -0.525 88 H LYS 34 H LYS 34 -6.296 -3.227 2.946 89 HA LYS 34 HA LYS 34 -5.370 -6.034 3.153 90 HB2 LYS 34 2HB LYS 34 -7.407 -6.092 5.076 91 HB3 LYS 34 3HB LYS 34 -5.862 -6.336 5.268 92 HG2 LYS 34 2HG LYS 34 -6.656 -4.770 6.954 93 HG3 LYS 34 3HG LYS 34 -5.835 -3.667 5.834 94 HD2 LYS 34 2HD LYS 34 -8.034 -3.349 4.635 95 HD3 LYS 34 3HD LYS 34 -8.804 -4.458 5.752 96 HE2 LYS 34 2HE LYS 34 -8.476 -2.979 7.626 97 HE3 LYS 34 3HE LYS 34 -7.454 -1.895 6.672 98 HZ1 LYS 34 3HZ LYS 34 -9.739 -1.065 6.842 99 HZ2 LYS 34 1HZ LYS 34 -9.298 -1.285 5.333 100 HZ3 LYS 34 2HZ LYS 34 -10.320 -2.392 6.047 101 H ASN 35 H ASN 35 -7.030 -7.545 3.093 102 HA ASN 35 HA ASN 35 -9.522 -6.897 3.608 103 HB2 ASN 35 2HB ASN 35 -9.994 -5.719 1.734 104 HB3 ASN 35 3HB ASN 35 -9.007 -6.646 0.666 105 HD21 ASN 35 2HD2 ASN 35 -10.018 -7.803 -0.809 106 HD22 ASN 35 1HD2 ASN 35 -11.704 -8.316 -0.744 107 H LEU 36 H LEU 36 -11.164 -8.804 3.195 108 HA LEU 36 HA LEU 36 -10.160 -10.888 4.619 109 HG LEU 36 HG LEU 36 -12.149 -13.201 3.614 110 HB2 LEU 36 2HB LEU 36 -12.509 -10.278 4.414 111 HB3 LEU 36 3HB LEU 36 -12.569 -10.895 2.769 112 HD11 LEU 36 1HD1 LEU 36 -12.404 -13.647 6.052 113 HD12 LEU 36 2HD1 LEU 36 -10.938 -12.724 5.710 114 HD13 LEU 36 3HD1 LEU 36 -12.369 -11.899 6.371 115 HD21 LEU 36 3HD2 LEU 36 -14.365 -13.501 4.625 116 HD22 LEU 36 1HD2 LEU 36 -14.472 -11.756 4.956 117 HD23 LEU 36 2HD2 LEU 36 -14.439 -12.356 3.278 118 HA PRO 37 HA PRO 37 -9.453 -13.852 0.864 119 HB2 PRO 37 2HB PRO 37 -8.675 -11.939 -1.312 120 HB3 PRO 37 3HB PRO 37 -9.631 -13.446 -1.419 121 HG2 PRO 37 2HG PRO 37 -10.825 -11.010 -1.596 122 HG3 PRO 37 3HG PRO 37 -11.599 -12.339 -0.664 123 HD2 PRO 37 2HD PRO 37 -9.841 -10.100 0.378 124 HD3 PRO 37 3HD PRO 37 -11.461 -10.603 0.956 125 H GLU 38 H GLU 38 -7.567 -11.193 1.988 126 HA GLU 38 HA GLU 38 -5.052 -12.471 1.044 127 HB2 GLU 38 2HB GLU 38 -6.088 -9.665 0.694 128 HB3 GLU 38 3HB GLU 38 -4.383 -9.822 1.042 129 HG2 GLU 38 2HG GLU 38 -5.838 -11.162 -1.217 130 HG3 GLU 38 3HG GLU 38 -4.817 -9.715 -1.342 131 H GLY 39 H GLY 39 -3.304 -12.365 2.002 132 HA2 GLY 39 2HA GLY 39 -2.964 -11.024 4.663 133 HA3 GLY 39 3HA GLY 39 -2.162 -12.528 4.200 134 H CYS 40 H CYS 40 -2.014 -11.319 1.318 135 HA CYS 40 HA CYS 40 -0.246 -10.864 0.065 136 HG CYS 40 HG CYS 40 -2.669 -9.006 1.271 137 HB2 CYS 40 2HB CYS 40 -0.102 -8.289 1.681 138 HB3 CYS 40 3HB CYS 40 0.338 -8.569 -0.007 139 H SER 41 H SER 41 2.020 -9.235 0.637 140 HA SER 41 HA SER 41 3.473 -9.747 2.980 141 HG SER 41 HG SER 41 3.148 -12.312 2.360 142 HB2 SER 41 2HB SER 41 4.371 -11.360 0.550 143 HB3 SER 41 3HB SER 41 5.491 -10.823 1.826 144 H TRP 42 H TRP 42 5.682 -8.516 2.746 145 HA TRP 42 HA TRP 42 5.004 -6.152 1.394 146 HD1 TRP 42 HD1 TRP 42 9.572 -5.068 2.024 147 HE1 TRP 42 HE1 TRP 42 9.732 -2.862 0.721 148 HE3 TRP 42 HE3 TRP 42 4.577 -4.257 1.064 149 HZ2 TRP 42 HZ2 TRP 42 7.941 -1.154 -0.845 150 HZ3 TRP 42 HZ3 TRP 42 3.882 -2.449 -0.405 151 HH2 TRP 42 HH2 TRP 42 5.497 -0.856 -1.331 152 HB2 TRP 42 2HB TRP 42 6.518 -6.002 3.216 153 HB3 TRP 42 3HB TRP 42 7.728 -6.944 2.393 154 H GLN 43 H GLN 43 7.179 -8.759 0.196 155 HA GLN 43 HA GLN 43 7.823 -7.406 -2.151 156 HB2 GLN 43 2HB GLN 43 8.188 -9.668 -3.185 157 HB3 GLN 43 3HB GLN 43 8.971 -9.496 -1.617 158 HG2 GLN 43 2HG GLN 43 7.522 -10.989 -0.559 159 HG3 GLN 43 3HG GLN 43 6.190 -10.679 -1.649 160 HE21 GLN 43 2HE2 GLN 43 5.745 -12.207 -3.210 161 HE22 GLN 43 1HE2 GLN 43 6.912 -13.441 -3.699 162 H ASP 44 H ASP 44 4.788 -8.747 -1.422 163 HA ASP 44 HA ASP 44 3.927 -9.046 -4.225 164 HB2 ASP 44 2HB ASP 44 2.550 -9.317 -1.509 165 HB3 ASP 44 3HB ASP 44 1.841 -9.579 -3.062 166 H LEU 45 H LEU 45 3.318 -6.992 -1.376 167 HA LEU 45 HA LEU 45 1.642 -5.102 -2.805 168 HG LEU 45 HG LEU 45 0.863 -6.519 -0.363 169 HB2 LEU 45 2HB LEU 45 2.991 -5.285 -0.111 170 HB3 LEU 45 3HB LEU 45 2.204 -3.813 -0.619 171 HD11 LEU 45 1HD1 LEU 45 -0.272 -5.341 1.528 172 HD12 LEU 45 2HD1 LEU 45 1.488 -5.449 1.733 173 HD13 LEU 45 3HD1 LEU 45 0.765 -3.917 1.196 174 HD21 LEU 45 3HD2 LEU 45 -0.444 -5.430 -2.031 175 HD22 LEU 45 1HD2 LEU 45 -1.275 -5.011 -0.524 176 HD23 LEU 45 2HD2 LEU 45 -0.198 -3.842 -1.311 177 H LYS 46 H LYS 46 5.142 -5.369 -2.345 178 HA LYS 46 HA LYS 46 5.929 -2.782 -3.366 179 HB2 LYS 46 2HB LYS 46 7.230 -5.224 -2.653 180 HB3 LYS 46 3HB LYS 46 7.555 -5.072 -4.354 181 HG2 LYS 46 2HG LYS 46 8.282 -3.116 -2.180 182 HG3 LYS 46 3HG LYS 46 9.351 -4.227 -2.991 183 HD2 LYS 46 2HD LYS 46 9.111 -3.014 -5.085 184 HD3 LYS 46 3HD LYS 46 7.945 -1.882 -4.334 185 HE2 LYS 46 2HE LYS 46 9.598 -1.037 -2.813 186 HE3 LYS 46 3HE LYS 46 10.749 -2.307 -3.243 187 HZ1 LYS 46 3HZ LYS 46 9.846 -0.207 -5.165 188 HZ2 LYS 46 1HZ LYS 46 11.241 -0.160 -4.324 189 HZ3 LYS 46 2HZ LYS 46 11.001 -1.336 -5.417 190 H ASP 47 H ASP 47 5.367 -5.914 -4.928 191 HA ASP 47 HA ASP 47 5.476 -5.027 -7.623 192 HB2 ASP 47 2HB ASP 47 4.891 -7.490 -6.275 193 HB3 ASP 47 3HB ASP 47 3.550 -7.169 -7.332 194 H LEU 48 H LEU 48 2.434 -5.496 -5.763 195 HA LEU 48 HA LEU 48 0.956 -4.255 -7.806 196 HG LEU 48 HG LEU 48 -1.312 -3.531 -7.388 197 HB2 LEU 48 2HB LEU 48 -0.138 -5.524 -6.081 198 HB3 LEU 48 3HB LEU 48 0.234 -4.309 -4.864 199 HD11 LEU 48 1HD1 LEU 48 -3.429 -3.798 -5.975 200 HD12 LEU 48 2HD1 LEU 48 -2.685 -5.286 -6.548 201 HD13 LEU 48 3HD1 LEU 48 -2.473 -4.737 -4.844 202 HD21 LEU 48 3HD2 LEU 48 -0.677 -1.694 -6.049 203 HD22 LEU 48 1HD2 LEU 48 -2.382 -1.960 -5.856 204 HD23 LEU 48 2HD2 LEU 48 -1.283 -2.518 -4.563 205 H ALA 49 H ALA 49 2.609 -2.612 -5.034 206 HA ALA 49 HA ALA 49 1.555 -0.077 -5.622 207 HB1 ALA 49 1HB ALA 49 4.178 -1.037 -4.451 208 HB2 ALA 49 2HB ALA 49 3.711 0.686 -4.496 209 HB3 ALA 49 3HB ALA 49 2.693 -0.470 -3.611 210 H ARG 50 H ARG 50 4.309 -1.731 -7.184 211 HA ARG 50 HA ARG 50 4.989 0.567 -8.903 212 HE ARG 50 HE ARG 50 7.164 -4.191 -7.727 213 HB2 ARG 50 2HB ARG 50 5.578 -2.419 -8.990 214 HB3 ARG 50 3HB ARG 50 6.243 -1.281 -10.167 215 HG2 ARG 50 2HG ARG 50 7.760 -0.433 -8.755 216 HG3 ARG 50 3HG ARG 50 6.660 -0.326 -7.400 217 HD2 ARG 50 2HD ARG 50 8.740 -1.825 -7.395 218 HD3 ARG 50 3HD ARG 50 7.368 -2.205 -6.425 219 HH11 ARG 50 1HH2 ARG 50 9.264 -2.050 -9.541 220 HH12 ARG 50 2HH2 ARG 50 9.588 -3.261 -10.750 221 HH21 ARG 50 2HH1 ARG 50 7.621 -5.693 -9.292 222 HH22 ARG 50 1HH1 ARG 50 8.675 -5.253 -10.611 223 H GLU 51 H GLU 51 3.008 -2.274 -9.176 224 HA GLU 51 HA GLU 51 1.898 -1.898 -11.796 225 HB2 GLU 51 2HB GLU 51 0.195 -2.749 -9.444 226 HB3 GLU 51 3HB GLU 51 -0.245 -2.792 -11.047 227 HG2 GLU 51 2HG GLU 51 2.163 -4.228 -9.924 228 HG3 GLU 51 3HG GLU 51 0.637 -4.959 -9.867 229 H ASN 52 H ASN 52 1.265 -0.192 -8.907 230 HA ASN 52 HA ASN 52 -0.914 1.428 -10.095 231 HB2 ASN 52 2HB ASN 52 -0.117 0.237 -7.442 232 HB3 ASN 52 3HB ASN 52 -0.979 1.653 -7.372 233 HD21 ASN 52 2HD2 ASN 52 -1.056 -1.643 -8.304 234 HD22 ASN 52 1HD2 ASN 52 -2.805 -1.754 -8.490 235 H SER 53 H SER 53 2.344 1.873 -9.398 236 HA SER 53 HA SER 53 3.714 3.657 -9.433 237 HG SER 53 HG SER 53 2.028 3.566 -11.776 238 HB2 SER 53 2HB SER 53 1.354 5.318 -10.383 239 HB3 SER 53 3HB SER 53 3.051 5.824 -10.363 240 H LEU 54 H LEU 54 2.319 2.797 -7.122 241 HA LEU 54 HA LEU 54 2.005 5.061 -5.246 242 HG LEU 54 HG LEU 54 0.149 2.050 -4.419 243 HB2 LEU 54 2HB LEU 54 2.174 2.063 -5.142 244 HB3 LEU 54 3HB LEU 54 2.766 2.869 -3.728 245 HD11 LEU 54 1HD1 LEU 54 1.108 3.591 -1.965 246 HD12 LEU 54 2HD1 LEU 54 -0.308 2.528 -2.079 247 HD13 LEU 54 3HD1 LEU 54 1.306 1.848 -2.206 248 HD21 LEU 54 3HD2 LEU 54 -0.211 4.291 -5.423 249 HD22 LEU 54 1HD2 LEU 54 -1.223 3.942 -4.040 250 HD23 LEU 54 2HD2 LEU 54 0.169 5.027 -3.833 251 H GLU 55 H GLU 55 4.419 2.464 -5.657 252 HA GLU 55 HA GLU 55 6.332 2.213 -4.465 253 HB2 GLU 55 2HB GLU 55 6.910 2.540 -6.760 254 HB3 GLU 55 3HB GLU 55 7.018 4.299 -6.543 255 HG2 GLU 55 2HG GLU 55 8.938 4.208 -5.452 256 HG3 GLU 55 3HG GLU 55 8.562 2.803 -4.508 257 H THR 56 H THR 56 5.338 3.002 -2.493 258 HA THR 56 HA THR 56 6.201 5.548 -1.389 259 HB THR 56 HB THR 56 5.197 4.975 0.548 260 HG1 THR 56 1HG THR 56 5.207 3.021 1.424 261 HG21 THR 56 1HG2 THR 56 3.453 4.842 -1.182 262 HG22 THR 56 2HG2 THR 56 3.664 3.088 -1.266 263 HG23 THR 56 3HG2 THR 56 3.094 3.861 0.223 264 H THR 57 H THR 57 7.465 5.005 1.001 265 HA THR 57 HA THR 57 10.201 4.376 0.264 266 HB THR 57 HB THR 57 9.006 4.415 3.059 267 HG1 THR 57 1HG THR 57 9.573 6.649 3.044 268 HG21 THR 57 1HG2 THR 57 11.323 3.687 2.987 269 HG22 THR 57 2HG2 THR 57 11.775 5.122 2.025 270 HG23 THR 57 3HG2 THR 57 11.212 5.298 3.705 271 H PHE 58 H PHE 58 7.602 2.796 2.123 272 HA PHE 58 HA PHE 58 8.668 0.114 1.890 273 HD1 PHE 58 HD2 PHE 58 9.088 3.398 4.973 274 HD2 PHE 58 HD1 PHE 58 8.466 -0.797 5.767 275 HE1 PHE 58 HE2 PHE 58 8.516 3.915 7.324 276 HE2 PHE 58 HE1 PHE 58 7.763 -0.253 8.080 277 HZ PHE 58 HZ PHE 58 7.810 2.108 8.872 278 HB2 PHE 58 2HB PHE 58 9.761 -0.062 3.856 279 HB3 PHE 58 3HB PHE 58 10.130 1.583 3.557 280 H SER 59 H SER 59 7.534 -1.413 3.360 281 HA SER 59 HA SER 59 5.118 -0.378 4.707 282 HG SER 59 HG SER 59 3.751 -3.176 4.586 283 HB2 SER 59 2HB SER 59 4.268 -1.231 2.587 284 HB3 SER 59 3HB SER 59 5.098 -2.738 2.859 285 H SER 60 H SER 60 4.590 -1.459 6.491 286 HA SER 60 HA SER 60 6.220 -3.742 7.534 287 HG SER 60 HG SER 60 6.661 -2.401 9.589 288 HB2 SER 60 2HB SER 60 4.004 -2.000 8.672 289 HB3 SER 60 3HB SER 60 4.655 -3.419 9.517 290 H VAL 61 H VAL 61 5.527 -5.726 6.871 291 HA VAL 61 HA VAL 61 2.606 -6.323 6.764 292 HB VAL 61 HB VAL 61 4.467 -7.559 4.713 293 HG11 VAL 61 1HG1 VAL 61 1.441 -7.203 4.937 294 HG12 VAL 61 2HG1 VAL 61 2.244 -7.838 3.511 295 HG13 VAL 61 3HG1 VAL 61 2.342 -8.731 5.023 296 HG21 VAL 61 3HG2 VAL 61 2.826 -5.045 4.362 297 HG22 VAL 61 1HG2 VAL 61 4.577 -5.203 4.143 298 HG23 VAL 61 2HG2 VAL 61 3.469 -5.992 3.014 299 H ASN 62 H ASN 62 2.173 -8.581 7.255 300 HA ASN 62 HA ASN 62 2.431 -10.560 8.335 301 HB2 ASN 62 2HB ASN 62 5.337 -10.407 7.395 302 HB3 ASN 62 3HB ASN 62 4.472 -11.854 7.887 303 HD21 ASN 62 1HD2 ASN 62 5.579 -10.222 5.167 304 HD22 ASN 62 2HD2 ASN 62 4.498 -11.114 4.092 305 H THR 63 H THR 63 2.727 -8.171 9.988 306 HA THR 63 HA THR 63 4.360 -9.220 12.243 307 HB THR 63 HB THR 63 5.916 -8.072 10.684 308 HG1 THR 63 1HG THR 63 5.596 -6.993 13.265 309 HG21 THR 63 1HG2 THR 63 4.467 -6.234 9.892 310 HG22 THR 63 2HG2 THR 63 4.529 -5.488 11.497 311 HG23 THR 63 3HG2 THR 63 6.009 -5.660 10.536 312 H ARG 64 H ARG 64 1.734 -7.206 11.270 313 HA ARG 64 HA ARG 64 1.097 -6.434 14.073 314 HE ARG 64 HE ARG 64 -0.668 -3.581 11.701 315 HB2 ARG 64 2HB ARG 64 2.654 -4.663 13.145 316 HB3 ARG 64 3HB ARG 64 1.528 -4.406 11.830 317 HG2 ARG 64 2HG ARG 64 -0.051 -4.084 14.187 318 HG3 ARG 64 3HG ARG 64 1.508 -3.410 14.615 319 HD2 ARG 64 2HD ARG 64 0.052 -1.682 13.724 320 HD3 ARG 64 3HD ARG 64 1.437 -1.922 12.644 321 HH11 ARG 64 2HH1 ARG 64 -0.203 -0.176 12.130 322 HH12 ARG 64 1HH1 ARG 64 -1.284 0.300 10.870 323 HH21 ARG 64 1HH2 ARG 64 -1.899 -2.990 9.877 324 HH22 ARG 64 2HH2 ARG 64 -2.181 -1.297 9.558 325 H ASP 65 H ASP 65 -0.178 -8.319 12.641 326 HA ASP 65 HA ASP 65 -2.607 -7.015 11.437 327 HB2 ASP 65 2HB ASP 65 -1.056 -9.300 10.197 328 HB3 ASP 65 3HB ASP 65 -2.303 -8.325 9.476 329 H PHE 66 H PHE 66 -4.260 -8.510 10.748 330 HA PHE 66 HA PHE 66 -5.029 -10.569 12.584 331 HD1 PHE 66 HD1 PHE 66 -5.032 -8.870 8.654 332 HD2 PHE 66 HD2 PHE 66 -7.696 -12.091 9.736 333 HE1 PHE 66 HE1 PHE 66 -5.339 -9.424 6.260 334 HE2 PHE 66 HE2 PHE 66 -8.070 -12.580 7.325 335 HZ PHE 66 HZ PHE 66 -6.912 -11.241 5.592 336 HB2 PHE 66 2HB PHE 66 -6.952 -10.629 11.393 337 HB3 PHE 66 3HB PHE 66 -6.371 -9.038 10.942 338 H ASP 67 H ASP 67 -3.195 -10.561 9.604 339 HA ASP 67 HA ASP 67 -1.684 -12.810 10.338 340 HB2 ASP 67 2HB ASP 67 -2.107 -14.493 8.879 341 HB3 ASP 67 3HB ASP 67 -3.741 -14.016 9.282 342 H GLY 68 H GLY 68 -2.723 -10.673 7.695 343 HA2 GLY 68 2HA GLY 68 -0.163 -9.332 7.696 344 HA3 GLY 68 3HA GLY 68 -0.441 -10.284 6.242 345 H THR 69 H THR 69 -0.677 -7.265 7.398 346 HA THR 69 HA THR 69 -2.480 -6.443 5.167 347 HB THR 69 HB THR 69 -3.475 -4.716 6.300 348 HG1 THR 69 1HG THR 69 -1.663 -5.196 8.424 349 HG21 THR 69 1HG2 THR 69 -4.676 -5.631 8.163 350 HG22 THR 69 2HG2 THR 69 -4.426 -6.917 6.961 351 HG23 THR 69 3HG2 THR 69 -3.434 -6.863 8.433 352 H GLY 70 H GLY 70 -1.751 -4.652 4.064 353 HA2 GLY 70 2HA GLY 70 1.091 -4.054 4.007 354 HA3 GLY 70 3HA GLY 70 -0.191 -3.389 2.985 355 H ALA 71 H ALA 71 1.545 -2.919 6.060 356 HA ALA 71 HA ALA 71 0.220 -0.313 6.239 357 HB1 ALA 71 1HB ALA 71 0.251 -1.460 8.302 358 HB2 ALA 71 2HB ALA 71 1.989 -1.748 8.208 359 HB3 ALA 71 3HB ALA 71 1.372 -0.093 8.437 360 H LEU 72 H LEU 72 0.944 0.789 4.523 361 HA LEU 72 HA LEU 72 3.771 0.919 3.686 362 HG LEU 72 HG LEU 72 1.598 0.995 0.598 363 HB2 LEU 72 2HB LEU 72 1.218 2.011 2.674 364 HB3 LEU 72 3HB LEU 72 2.675 2.575 2.065 365 HD11 LEU 72 1HD1 LEU 72 4.398 0.503 1.544 366 HD12 LEU 72 2HD1 LEU 72 3.635 -0.426 0.217 367 HD13 LEU 72 3HD1 LEU 72 3.769 1.296 0.105 368 HD21 LEU 72 3HD2 LEU 72 2.037 -1.069 2.713 369 HD22 LEU 72 1HD2 LEU 72 0.523 -0.512 2.033 370 HD23 LEU 72 2HD2 LEU 72 1.667 -1.419 1.023 371 H GLU 73 H GLU 73 4.899 2.815 3.562 372 HA GLU 73 HA GLU 73 3.932 5.319 5.013 373 HB2 GLU 73 2HB GLU 73 5.304 3.824 6.429 374 HB3 GLU 73 3HB GLU 73 6.593 3.917 5.255 375 HG2 GLU 73 2HG GLU 73 7.353 5.881 6.005 376 HG3 GLU 73 3HG GLU 73 5.772 6.613 6.057 377 H PHE 74 H PHE 74 4.578 7.335 4.111 378 HA PHE 74 HA PHE 74 6.994 7.454 2.455 379 HD1 PHE 74 HD2 PHE 74 7.373 6.739 0.236 380 HD2 PHE 74 HD1 PHE 74 5.386 10.483 -0.162 381 HE1 PHE 74 HE2 PHE 74 9.058 7.412 -1.462 382 HE2 PHE 74 HE1 PHE 74 7.116 11.247 -1.768 383 HZ PHE 74 HZ PHE 74 8.950 9.703 -2.437 384 HB2 PHE 74 2HB PHE 74 4.642 7.318 0.992 385 HB3 PHE 74 3HB PHE 74 4.652 8.981 1.389 386 HA PRO 75 HA PRO 75 7.209 11.523 4.399 387 HB2 PRO 75 2HB PRO 75 9.120 12.814 2.886 388 HB3 PRO 75 3HB PRO 75 9.459 11.506 4.054 389 HG2 PRO 75 2HG PRO 75 9.011 11.234 1.064 390 HG3 PRO 75 3HG PRO 75 10.401 10.630 2.031 391 HD2 PRO 75 2HD PRO 75 8.391 8.990 1.473 392 HD3 PRO 75 3HD PRO 75 9.045 9.009 3.124 393 H SER 76 H SER 76 5.509 11.206 1.474 394 HA SER 76 HA SER 76 4.584 14.049 1.710 395 HG SER 76 HG SER 76 6.185 14.620 -1.268 396 HB2 SER 76 2HB SER 76 4.960 12.527 -0.840 397 HB3 SER 76 3HB SER 76 4.191 14.098 -0.691 398 H GLU 77 H GLU 77 2.442 14.056 2.141 399 HA GLU 77 HA GLU 77 0.754 11.839 2.018 400 HB2 GLU 77 2HB GLU 77 -1.136 13.387 2.267 401 HB3 GLU 77 3HB GLU 77 0.186 13.712 3.363 402 HG2 GLU 77 2HG GLU 77 0.933 15.491 1.575 403 HG3 GLU 77 3HG GLU 77 -0.700 15.298 0.936 404 H GLU 78 H GLU 78 1.789 13.708 -0.652 405 HA GLU 78 HA GLU 78 -0.123 13.380 -2.646 406 HB2 GLU 78 2HB GLU 78 2.878 12.800 -2.783 407 HB3 GLU 78 3HB GLU 78 1.838 13.112 -4.170 408 HG2 GLU 78 2HG GLU 78 1.458 15.415 -3.416 409 HG3 GLU 78 3HG GLU 78 2.371 15.121 -1.934 410 H ILE 79 H ILE 79 2.275 10.900 -1.595 411 HA ILE 79 HA ILE 79 1.205 8.889 -3.381 412 HB ILE 79 HB ILE 79 3.175 8.434 -1.122 413 HG12 ILE 79 2HG1 ILE 79 3.531 9.883 -3.679 414 HG13 ILE 79 3HG1 ILE 79 4.303 10.106 -2.176 415 HG21 ILE 79 1HG2 ILE 79 3.949 6.568 -2.541 416 HG22 ILE 79 2HG2 ILE 79 2.229 6.399 -2.179 417 HG23 ILE 79 3HG2 ILE 79 2.737 7.000 -3.765 418 HD11 ILE 79 3HD1 ILE 79 5.726 8.012 -2.709 419 HD12 ILE 79 1HD1 ILE 79 4.975 8.031 -4.313 420 HD13 ILE 79 2HD1 ILE 79 5.952 9.401 -3.794 421 H LEU 80 H LEU 80 0.616 9.765 -0.045 422 HA LEU 80 HA LEU 80 -0.762 7.418 0.794 423 HG LEU 80 HG LEU 80 -2.888 10.168 1.962 424 HB2 LEU 80 2HB LEU 80 -0.275 8.695 2.576 425 HB3 LEU 80 3HB LEU 80 -0.395 10.190 1.743 426 HD11 LEU 80 1HD1 LEU 80 -3.967 8.759 3.547 427 HD12 LEU 80 2HD1 LEU 80 -3.092 7.673 2.450 428 HD13 LEU 80 3HD1 LEU 80 -2.429 8.042 4.062 429 HD21 LEU 80 3HD2 LEU 80 -1.321 10.004 4.551 430 HD22 LEU 80 1HD2 LEU 80 -1.479 11.441 3.519 431 HD23 LEU 80 2HD2 LEU 80 -2.908 10.762 4.323 432 H VAL 81 H VAL 81 -1.849 10.507 -0.657 433 HA VAL 81 HA VAL 81 -4.698 9.853 -0.583 434 HB VAL 81 HB VAL 81 -3.116 12.040 -2.052 435 HG11 VAL 81 1HG1 VAL 81 -5.294 13.237 -2.304 436 HG12 VAL 81 2HG1 VAL 81 -5.237 11.750 -3.242 437 HG13 VAL 81 3HG1 VAL 81 -6.138 11.789 -1.710 438 HG21 VAL 81 3HG2 VAL 81 -3.119 12.230 0.433 439 HG22 VAL 81 1HG2 VAL 81 -3.957 13.561 -0.354 440 HG23 VAL 81 2HG2 VAL 81 -4.892 12.249 0.411 441 H GLU 82 H GLU 82 -2.109 9.685 -3.034 442 HA GLU 82 HA GLU 82 -3.583 8.750 -5.175 443 HB2 GLU 82 2HB GLU 82 -0.885 8.549 -3.881 444 HB3 GLU 82 3HB GLU 82 -1.276 7.262 -4.862 445 HG2 GLU 82 2HG GLU 82 -0.656 10.089 -5.489 446 HG3 GLU 82 3HG GLU 82 -0.091 8.610 -6.247 447 H ALA 83 H ALA 83 -1.903 6.617 -2.715 448 HA ALA 83 HA ALA 83 -3.206 4.203 -3.392 449 HB1 ALA 83 1HB ALA 83 -1.306 4.590 -1.768 450 HB2 ALA 83 2HB ALA 83 -2.513 5.061 -0.564 451 HB3 ALA 83 3HB ALA 83 -2.539 3.416 -1.245 452 H LEU 84 H LEU 84 -4.509 6.659 -1.213 453 HA LEU 84 HA LEU 84 -6.833 5.097 -0.348 454 HG LEU 84 HG LEU 84 -5.028 7.851 1.346 455 HB2 LEU 84 2HB LEU 84 -6.401 8.117 -0.331 456 HB3 LEU 84 3HB LEU 84 -7.728 7.322 0.394 457 HD11 LEU 84 1HD1 LEU 84 -7.572 7.019 2.756 458 HD12 LEU 84 2HD1 LEU 84 -6.121 7.738 3.501 459 HD13 LEU 84 3HD1 LEU 84 -7.076 8.682 2.349 460 HD21 LEU 84 3HD2 LEU 84 -4.586 5.504 1.077 461 HD22 LEU 84 1HD2 LEU 84 -4.876 5.829 2.789 462 HD23 LEU 84 2HD2 LEU 84 -6.166 5.085 1.760 463 H GLU 85 H GLU 85 -6.184 7.077 -3.167 464 HA GLU 85 HA GLU 85 -8.940 6.495 -4.034 465 HB2 GLU 85 2HB GLU 85 -6.790 8.280 -5.246 466 HB3 GLU 85 3HB GLU 85 -8.431 8.096 -5.892 467 HG2 GLU 85 2HG GLU 85 -9.386 9.160 -3.937 468 HG3 GLU 85 3HG GLU 85 -7.804 9.287 -3.170 469 H ARG 86 H ARG 86 -5.878 5.001 -4.402 470 HA ARG 86 HA ARG 86 -6.301 4.157 -7.252 471 HE ARG 86 HE ARG 86 -3.775 8.168 -8.281 472 HB2 ARG 86 2HB ARG 86 -3.952 4.945 -5.544 473 HB3 ARG 86 3HB ARG 86 -3.632 3.679 -6.487 474 HG2 ARG 86 2HG ARG 86 -3.010 5.881 -7.512 475 HG3 ARG 86 3HG ARG 86 -4.135 5.009 -8.576 476 HD2 ARG 86 2HD ARG 86 -6.022 6.280 -7.831 477 HD3 ARG 86 3HD ARG 86 -5.098 6.935 -6.468 478 HH11 ARG 86 2HH2 ARG 86 -7.285 7.842 -8.194 479 HH12 ARG 86 1HH2 ARG 86 -7.463 9.492 -7.614 480 HH21 ARG 86 1HH1 ARG 86 -4.208 10.310 -7.716 481 HH22 ARG 86 2HH1 ARG 86 -5.881 10.818 -7.552 482 H LEU 87 H LEU 87 -5.595 3.017 -3.983 483 HA LEU 87 HA LEU 87 -5.768 0.238 -4.853 484 HG LEU 87 HG LEU 87 -3.648 -0.407 -4.775 485 HB2 LEU 87 2HB LEU 87 -4.205 1.627 -2.709 486 HB3 LEU 87 3HB LEU 87 -4.647 -0.046 -2.594 487 HD11 LEU 87 1HD1 LEU 87 -3.558 1.345 -6.029 488 HD12 LEU 87 2HD1 LEU 87 -2.947 2.434 -4.728 489 HD13 LEU 87 3HD1 LEU 87 -1.877 1.255 -5.503 490 HD21 LEU 87 3HD2 LEU 87 -1.801 0.802 -2.677 491 HD22 LEU 87 1HD2 LEU 87 -2.331 -0.894 -2.757 492 HD23 LEU 87 2HD2 LEU 87 -1.247 -0.248 -3.999 493 H ASN 88 H ASN 88 -7.735 2.578 -3.452 494 HA ASN 88 HA ASN 88 -8.750 0.928 -1.348 495 HB2 ASN 88 2HB ASN 88 -8.773 3.424 -1.272 496 HB3 ASN 88 3HB ASN 88 -10.074 3.409 -2.472 497 HD21 ASN 88 2HD2 ASN 88 -11.549 4.337 -0.948 498 HD22 ASN 88 1HD2 ASN 88 -12.033 3.463 0.493 499 H ASN 89 H ASN 89 -9.548 -0.936 -1.847 500 HA ASN 89 HA ASN 89 -10.957 -2.536 -2.388 501 HB2 ASN 89 2HB ASN 89 -12.583 -0.864 -1.432 502 HB3 ASN 89 3HB ASN 89 -13.108 -0.542 -3.077 503 HD21 ASN 89 1HD2 ASN 89 -12.563 -3.129 -0.638 504 HD22 ASN 89 2HD2 ASN 89 -13.869 -4.159 -1.220 505 H ILE 90 H ILE 90 -9.025 -2.158 -4.035 506 HA ILE 90 HA ILE 90 -10.116 -2.455 -6.807 507 HB ILE 90 HB ILE 90 -7.962 -1.866 -7.734 508 HG12 ILE 90 2HG1 ILE 90 -6.319 -0.742 -6.446 509 HG13 ILE 90 3HG1 ILE 90 -6.846 -1.653 -4.997 510 HG21 ILE 90 1HG2 ILE 90 -8.749 0.221 -5.642 511 HG22 ILE 90 2HG2 ILE 90 -8.138 0.489 -7.295 512 HG23 ILE 90 3HG2 ILE 90 -9.763 -0.148 -7.059 513 HD11 ILE 90 3HD1 ILE 90 -4.838 -2.343 -6.485 514 HD12 ILE 90 1HD1 ILE 90 -5.933 -3.637 -5.951 515 HD13 ILE 90 2HD1 ILE 90 -6.029 -2.990 -7.615 516 H GLU 91 H GLU 91 -9.615 -4.148 -8.017 517 HA GLU 91 HA GLU 91 -8.868 -6.587 -6.710 518 HB2 GLU 91 2HB GLU 91 -10.552 -6.536 -8.415 519 HB3 GLU 91 3HB GLU 91 -9.372 -5.879 -9.524 520 HG2 GLU 91 2HG GLU 91 -8.269 -8.319 -8.560 521 HG3 GLU 91 3HG GLU 91 -9.961 -8.638 -8.856 522 H PHE 92 H PHE 92 -6.994 -7.002 -6.114 523 HA PHE 92 HA PHE 92 -4.518 -6.104 -7.343 524 HD1 PHE 92 HD2 PHE 92 -2.382 -7.770 -7.096 525 HD2 PHE 92 HD1 PHE 92 -3.528 -7.237 -2.960 526 HE1 PHE 92 HE2 PHE 92 -0.084 -8.268 -6.389 527 HE2 PHE 92 HE1 PHE 92 -1.191 -7.710 -2.278 528 HZ PHE 92 HZ PHE 92 0.522 -8.204 -3.993 529 HB2 PHE 92 2HB PHE 92 -4.933 -6.281 -4.888 530 HB3 PHE 92 3HB PHE 92 -5.189 -7.914 -4.973 531 H ARG 93 H ARG 93 -4.948 -7.184 -9.427 532 HA ARG 93 HA ARG 93 -4.644 -8.751 -11.029 533 HE ARG 93 HE ARG 93 0.304 -7.453 -11.073 534 HB2 ARG 93 2HB ARG 93 -2.800 -10.020 -8.975 535 HB3 ARG 93 3HB ARG 93 -2.796 -10.376 -10.694 536 HG2 ARG 93 2HG ARG 93 -2.027 -8.166 -11.265 537 HG3 ARG 93 3HG ARG 93 -2.158 -7.612 -9.577 538 HD2 ARG 93 2HD ARG 93 -0.499 -9.175 -8.829 539 HD3 ARG 93 3HD ARG 93 -0.475 -10.012 -10.396 540 HH11 ARG 93 1HH1 ARG 93 1.608 -9.769 -8.722 541 HH12 ARG 93 2HH1 ARG 93 3.238 -9.156 -9.026 542 HH21 ARG 93 2HH2 ARG 93 2.364 -6.956 -11.415 543 HH22 ARG 93 1HH2 ARG 93 3.651 -7.703 -10.418 544 H GLY 94 H GLY 94 -6.460 -9.676 -8.507 545 HA2 GLY 94 2HA GLY 94 -7.955 -11.777 -9.343 546 HA3 GLY 94 3HA GLY 94 -6.464 -12.587 -8.839 547 H SER 95 H SER 95 -6.183 -10.297 -6.606 548 HA SER 95 HA SER 95 -8.193 -11.359 -4.679 549 HG SER 95 HG SER 95 -4.881 -11.951 -3.390 550 HB2 SER 95 2HB SER 95 -5.477 -9.993 -4.305 551 HB3 SER 95 3HB SER 95 -6.616 -10.393 -3.022 552 H VAL 96 H VAL 96 -8.241 -9.138 -3.073 553 HA VAL 96 HA VAL 96 -8.123 -6.696 -4.642 554 HB VAL 96 HB VAL 96 -10.181 -6.383 -5.188 555 HG11 VAL 96 1HG1 VAL 96 -11.097 -8.661 -3.488 556 HG12 VAL 96 2HG1 VAL 96 -12.108 -7.718 -4.624 557 HG13 VAL 96 3HG1 VAL 96 -10.736 -8.625 -5.247 558 HG21 VAL 96 3HG2 VAL 96 -10.977 -6.150 -2.306 559 HG22 VAL 96 1HG2 VAL 96 -10.307 -4.870 -3.349 560 HG23 VAL 96 2HG2 VAL 96 -11.865 -5.583 -3.736 561 H ILE 97 H ILE 97 -7.916 -4.864 -3.227 562 HA ILE 97 HA ILE 97 -7.651 -5.387 -0.291 563 HB ILE 97 HB ILE 97 -5.823 -3.603 -0.399 564 HG12 ILE 97 2HG1 ILE 97 -5.580 -4.649 -3.252 565 HG13 ILE 97 3HG1 ILE 97 -6.109 -3.025 -2.807 566 HG21 ILE 97 1HG2 ILE 97 -5.490 -5.944 0.294 567 HG22 ILE 97 2HG2 ILE 97 -5.114 -6.381 -1.383 568 HG23 ILE 97 3HG2 ILE 97 -4.077 -5.238 -0.465 569 HD11 ILE 97 3HD1 ILE 97 -3.823 -2.910 -3.503 570 HD12 ILE 97 1HD1 ILE 97 -3.861 -2.641 -1.746 571 HD13 ILE 97 2HD1 ILE 97 -3.342 -4.217 -2.416 572 H THR 98 H THR 98 -8.116 -3.678 1.047 573 HA THR 98 HA THR 98 -9.433 -1.214 -0.068 574 HB THR 98 HB THR 98 -9.905 -2.707 2.504 575 HG1 THR 98 1HG THR 98 -11.892 -3.230 1.632 576 HG21 THR 98 1HG2 THR 98 -11.758 -1.225 2.956 577 HG22 THR 98 2HG2 THR 98 -10.288 -0.260 2.791 578 HG23 THR 98 3HG2 THR 98 -11.459 -0.330 1.451 579 H VAL 99 H VAL 99 -8.702 0.734 0.930 580 HA VAL 99 HA VAL 99 -6.399 0.422 2.765 581 HB VAL 99 HB VAL 99 -4.836 1.555 1.443 582 HG11 VAL 99 1HG1 VAL 99 -5.247 -0.889 0.937 583 HG12 VAL 99 2HG1 VAL 99 -6.194 -0.405 -0.454 584 HG13 VAL 99 3HG1 VAL 99 -4.480 0.023 -0.357 585 HG21 VAL 99 3HG2 VAL 99 -7.125 1.962 -0.452 586 HG22 VAL 99 1HG2 VAL 99 -6.106 3.195 0.309 587 HG23 VAL 99 2HG2 VAL 99 -5.422 2.150 -0.930 588 H GLU 100 H GLU 100 -5.696 2.155 3.845 589 HA GLU 100 HA GLU 100 -7.099 4.772 3.726 590 HB2 GLU 100 2HB GLU 100 -8.127 4.387 5.997 591 HB3 GLU 100 3HB GLU 100 -8.857 3.393 4.765 592 HG2 GLU 100 2HG GLU 100 -6.656 1.947 6.085 593 HG3 GLU 100 3HG GLU 100 -7.728 2.647 7.277 594 H ARG 101 H ARG 101 -6.422 6.271 5.160 595 HA ARG 101 HA ARG 101 -3.763 6.323 6.197 596 HE ARG 101 HE ARG 101 -6.249 10.301 8.378 597 HB2 ARG 101 2HB ARG 101 -4.478 8.394 7.198 598 HB3 ARG 101 3HB ARG 101 -5.060 8.281 5.560 599 HG2 ARG 101 2HG ARG 101 -7.282 7.387 6.643 600 HG3 ARG 101 3HG ARG 101 -6.629 8.047 8.138 601 HD2 ARG 101 2HD ARG 101 -6.676 9.823 5.681 602 HD3 ARG 101 3HD ARG 101 -8.215 9.403 6.425 603 HH11 ARG 101 2HH2 ARG 101 -8.828 11.440 6.280 604 HH12 ARG 101 1HH2 ARG 101 -9.060 12.890 7.213 605 HH21 ARG 101 2HH1 ARG 101 -6.456 12.197 9.385 606 HH22 ARG 101 1HH1 ARG 101 -7.751 13.308 8.965 607 H ASP 102 H ASP 102 -2.891 5.786 8.031 608 HA ASP 102 HA ASP 102 -4.516 4.320 10.067 609 HB2 ASP 102 2HB ASP 102 -3.237 2.988 8.361 610 HB3 ASP 102 3HB ASP 102 -1.754 3.691 8.978 611 H ASP 103 H ASP 103 -1.892 6.677 9.776 612 HA ASP 103 HA ASP 103 -1.974 6.975 12.751 613 HB2 ASP 103 2HB ASP 103 0.314 7.299 12.922 614 HB3 ASP 103 3HB ASP 103 0.199 5.928 11.826 615 H ASN 104 H ASN 104 -3.063 8.300 10.114 616 HA ASN 104 HA ASN 104 -2.507 11.174 10.674 617 HB2 ASN 104 2HB ASN 104 -1.112 10.193 8.840 618 HB3 ASN 104 3HB ASN 104 -2.570 9.680 8.008 619 HD21 ASN 104 2HD2 ASN 104 -3.728 12.532 8.851 620 HD22 ASN 104 1HD2 ASN 104 -3.040 13.513 7.551 Start of MODEL 11 1 HA PRO 25 HA PRO 25 9.850 16.189 5.819 2 HB2 PRO 25 2HB PRO 25 10.266 16.097 2.823 3 HB3 PRO 25 3HB PRO 25 11.303 16.806 4.100 4 HG2 PRO 25 2HG PRO 25 11.416 14.125 3.066 5 HG3 PRO 25 3HG PRO 25 12.257 14.711 4.526 6 HD2 PRO 25 2HD PRO 25 10.242 12.783 4.594 7 HD3 PRO 25 3HD PRO 25 10.706 13.834 5.952 8 H ALA 26 H ALA 26 8.026 16.307 2.684 9 HA ALA 26 HA ALA 26 6.570 18.684 3.398 10 HB1 ALA 26 1HB ALA 26 5.984 16.427 1.443 11 HB2 ALA 26 2HB ALA 26 5.217 18.035 1.435 12 HB3 ALA 26 3HB ALA 26 6.958 17.874 1.103 13 H LYS 27 H LYS 27 6.095 15.263 4.007 14 HA LYS 27 HA LYS 27 4.123 15.755 6.152 15 HB2 LYS 27 2HB LYS 27 3.276 14.961 3.581 16 HB3 LYS 27 3HB LYS 27 3.348 13.457 4.452 17 HG2 LYS 27 2HG LYS 27 1.897 15.938 5.504 18 HG3 LYS 27 3HG LYS 27 1.186 14.777 4.405 19 HD2 LYS 27 2HD LYS 27 1.875 12.984 6.210 20 HD3 LYS 27 3HD LYS 27 1.930 14.385 7.304 21 HE2 LYS 27 2HE LYS 27 -0.406 13.314 5.674 22 HE3 LYS 27 3HE LYS 27 -0.219 13.266 7.421 23 HZ1 LYS 27 3HZ LYS 27 -0.289 15.758 7.387 24 HZ2 LYS 27 1HZ LYS 27 -0.648 15.715 5.774 25 HZ3 LYS 27 2HZ LYS 27 -1.678 15.079 6.863 26 H ARG 28 H ARG 28 3.709 13.640 7.356 27 HA ARG 28 HA ARG 28 5.442 11.436 6.754 28 HE ARG 28 HE ARG 28 9.462 9.978 9.010 29 HB2 ARG 28 2HB ARG 28 6.384 13.177 8.650 30 HB3 ARG 28 3HB ARG 28 5.172 12.382 9.663 31 HG2 ARG 28 2HG ARG 28 6.961 10.939 10.003 32 HG3 ARG 28 3HG ARG 28 6.160 10.231 8.571 33 HD2 ARG 28 2HD ARG 28 7.781 11.546 7.114 34 HD3 ARG 28 3HD ARG 28 8.566 12.124 8.578 35 HH11 ARG 28 1HH1 ARG 28 7.659 9.914 5.995 36 HH12 ARG 28 2HH1 ARG 28 8.351 8.367 5.529 37 HH21 ARG 28 1HH2 ARG 28 10.255 8.013 8.347 38 HH22 ARG 28 2HH2 ARG 28 9.606 7.263 6.912 39 H TYR 29 H TYR 29 4.115 9.723 6.650 40 HA TYR 29 HA TYR 29 1.706 9.496 8.394 41 HD1 TYR 29 HD1 TYR 29 0.772 6.975 5.378 42 HD2 TYR 29 HD2 TYR 29 2.492 10.751 4.128 43 HE1 TYR 29 HE1 TYR 29 1.531 5.902 3.311 44 HE2 TYR 29 HE2 TYR 29 2.877 9.753 1.941 45 HH TYR 29 HH TYR 29 2.164 6.269 1.216 46 HB2 TYR 29 2HB TYR 29 0.260 9.064 6.546 47 HB3 TYR 29 3HB TYR 29 0.998 10.563 6.129 48 H ARG 30 H ARG 30 0.600 7.402 7.956 49 HA ARG 30 HA ARG 30 2.062 5.290 6.628 50 HE ARG 30 HE ARG 30 -0.417 2.142 9.861 51 HB2 ARG 30 2HB ARG 30 2.959 5.390 9.003 52 HB3 ARG 30 3HB ARG 30 1.375 4.965 9.552 53 HG2 ARG 30 2HG ARG 30 2.975 3.233 7.620 54 HG3 ARG 30 3HG ARG 30 3.287 3.180 9.317 55 HD2 ARG 30 2HD ARG 30 0.774 2.338 7.879 56 HD3 ARG 30 3HD ARG 30 1.909 1.344 8.787 57 HH11 ARG 30 1HH2 ARG 30 2.787 3.071 11.033 58 HH12 ARG 30 2HH2 ARG 30 2.060 3.868 12.405 59 HH21 ARG 30 2HH1 ARG 30 -1.114 2.801 11.701 60 HH22 ARG 30 1HH1 ARG 30 -0.085 3.741 12.783 61 H ILE 31 H ILE 31 0.655 3.898 5.696 62 HA ILE 31 HA ILE 31 -2.278 4.141 6.309 63 HB ILE 31 HB ILE 31 -2.797 3.745 4.024 64 HG12 ILE 31 2HG1 ILE 31 0.149 3.730 3.332 65 HG13 ILE 31 3HG1 ILE 31 -0.883 2.287 3.396 66 HG21 ILE 31 1HG2 ILE 31 -2.012 6.108 4.884 67 HG22 ILE 31 2HG2 ILE 31 -0.721 5.887 3.710 68 HG23 ILE 31 3HG2 ILE 31 -2.400 5.810 3.163 69 HD11 ILE 31 3HD1 ILE 31 -1.228 4.594 1.471 70 HD12 ILE 31 1HD1 ILE 31 -0.665 2.950 1.119 71 HD13 ILE 31 2HD1 ILE 31 -2.340 3.207 1.653 72 H THR 32 H THR 32 -3.555 2.387 5.898 73 HA THR 32 HA THR 32 -2.354 -0.381 6.183 74 HB THR 32 HB THR 32 -5.068 0.876 6.586 75 HG1 THR 32 1HG THR 32 -4.593 0.562 8.656 76 HG21 THR 32 1HG2 THR 32 -5.823 -1.398 7.361 77 HG22 THR 32 2HG2 THR 32 -5.598 -1.243 5.619 78 HG23 THR 32 3HG2 THR 32 -4.363 -2.075 6.606 79 H MET 33 H MET 33 -2.514 -1.801 4.713 80 HA MET 33 HA MET 33 -4.419 -1.479 2.570 81 HB2 MET 33 2HB MET 33 -1.580 -2.418 1.892 82 HB3 MET 33 3HB MET 33 -2.938 -2.125 0.808 83 HG2 MET 33 2HG MET 33 -2.762 0.346 1.743 84 HG3 MET 33 3HG MET 33 -1.179 -0.203 2.244 85 HE1 MET 33 3HE MET 33 -1.562 -2.067 -0.968 86 HE2 MET 33 1HE MET 33 -0.175 -1.237 -1.708 87 HE3 MET 33 2HE MET 33 -0.047 -1.883 -0.051 88 H LYS 34 H LYS 34 -5.700 -3.000 2.900 89 HA LYS 34 HA LYS 34 -4.937 -5.739 3.860 90 HB2 LYS 34 2HB LYS 34 -5.004 -4.075 5.673 91 HB3 LYS 34 3HB LYS 34 -6.412 -3.300 4.912 92 HG2 LYS 34 2HG LYS 34 -6.908 -5.917 6.033 93 HG3 LYS 34 3HG LYS 34 -6.579 -4.515 7.098 94 HD2 LYS 34 2HD LYS 34 -8.582 -4.193 4.842 95 HD3 LYS 34 3HD LYS 34 -9.116 -4.981 6.290 96 HE2 LYS 34 2HE LYS 34 -8.476 -2.978 7.626 97 HE3 LYS 34 3HE LYS 34 -7.707 -2.268 6.207 98 HZ1 LYS 34 3HZ LYS 34 -10.008 -2.380 5.158 99 HZ2 LYS 34 1HZ LYS 34 -10.596 -2.586 6.676 100 HZ3 LYS 34 2HZ LYS 34 -9.741 -1.228 6.272 101 H ASN 35 H ASN 35 -6.861 -7.131 3.920 102 HA ASN 35 HA ASN 35 -9.306 -5.955 3.743 103 HB2 ASN 35 2HB ASN 35 -9.471 -5.518 1.538 104 HB3 ASN 35 3HB ASN 35 -8.378 -6.754 1.047 105 HD21 ASN 35 2HD2 ASN 35 -9.455 -7.985 -0.397 106 HD22 ASN 35 1HD2 ASN 35 -11.154 -8.458 -0.267 107 H LEU 36 H LEU 36 -9.197 -9.213 2.246 108 HA LEU 36 HA LEU 36 -8.989 -10.605 4.750 109 HG LEU 36 HG LEU 36 -12.453 -11.594 5.708 110 HB2 LEU 36 2HB LEU 36 -11.238 -9.769 5.066 111 HB3 LEU 36 3HB LEU 36 -11.792 -10.462 3.573 112 HD11 LEU 36 1HD1 LEU 36 -12.301 -13.853 4.953 113 HD12 LEU 36 2HD1 LEU 36 -12.542 -12.813 3.546 114 HD13 LEU 36 3HD1 LEU 36 -10.937 -13.503 3.896 115 HD21 LEU 36 3HD2 LEU 36 -10.256 -11.401 6.877 116 HD22 LEU 36 1HD2 LEU 36 -10.964 -13.026 6.924 117 HD23 LEU 36 2HD2 LEU 36 -9.624 -12.681 5.817 118 HA PRO 37 HA PRO 37 -9.453 -13.878 1.269 119 HB2 PRO 37 2HB PRO 37 -9.879 -13.052 -1.362 120 HB3 PRO 37 3HB PRO 37 -11.125 -13.563 -0.194 121 HG2 PRO 37 2HG PRO 37 -10.214 -10.745 -0.832 122 HG3 PRO 37 3HG PRO 37 -11.893 -11.383 -0.730 123 HD2 PRO 37 2HD PRO 37 -10.865 -10.108 1.375 124 HD3 PRO 37 3HD PRO 37 -11.770 -11.613 1.609 125 H GLU 38 H GLU 38 -7.240 -11.677 1.777 126 HA GLU 38 HA GLU 38 -5.198 -13.247 0.406 127 HB2 GLU 38 2HB GLU 38 -5.801 -11.229 -1.093 128 HB3 GLU 38 3HB GLU 38 -4.964 -10.250 0.106 129 HG2 GLU 38 2HG GLU 38 -2.970 -11.861 -0.163 130 HG3 GLU 38 3HG GLU 38 -3.870 -12.599 -1.500 131 H GLY 39 H GLY 39 -3.582 -13.631 1.721 132 HA2 GLY 39 2HA GLY 39 -3.049 -11.931 4.110 133 HA3 GLY 39 3HA GLY 39 -2.448 -13.568 3.820 134 H CYS 40 H CYS 40 -2.289 -10.243 2.492 135 HA CYS 40 HA CYS 40 -0.291 -10.624 0.627 136 HG CYS 40 HG CYS 40 -2.887 -8.724 0.282 137 HB2 CYS 40 2HB CYS 40 -0.133 -7.959 1.920 138 HB3 CYS 40 3HB CYS 40 -0.412 -8.393 0.241 139 H SER 41 H SER 41 1.916 -9.742 0.507 140 HA SER 41 HA SER 41 3.547 -9.632 2.996 141 HG SER 41 HG SER 41 3.727 -12.088 3.217 142 HB2 SER 41 2HB SER 41 4.296 -11.273 0.541 143 HB3 SER 41 3HB SER 41 5.293 -11.006 1.983 144 H TRP 42 H TRP 42 5.723 -8.489 2.533 145 HA TRP 42 HA TRP 42 5.096 -6.153 1.122 146 HD1 TRP 42 HD1 TRP 42 9.687 -5.190 1.728 147 HE1 TRP 42 HE1 TRP 42 9.890 -2.902 0.601 148 HE3 TRP 42 HE3 TRP 42 4.700 -4.192 0.887 149 HZ2 TRP 42 HZ2 TRP 42 8.150 -1.016 -0.744 150 HZ3 TRP 42 HZ3 TRP 42 4.037 -2.184 -0.355 151 HH2 TRP 42 HH2 TRP 42 5.722 -0.592 -1.167 152 HB2 TRP 42 2HB TRP 42 6.758 -6.183 2.914 153 HB3 TRP 42 3HB TRP 42 7.885 -7.017 1.869 154 H GLN 43 H GLN 43 7.019 -8.922 -0.087 155 HA GLN 43 HA GLN 43 7.645 -7.540 -2.478 156 HB2 GLN 43 2HB GLN 43 8.529 -9.622 -3.313 157 HB3 GLN 43 3HB GLN 43 8.914 -9.482 -1.615 158 HG2 GLN 43 2HG GLN 43 8.168 -11.602 -1.445 159 HG3 GLN 43 3HG GLN 43 6.563 -10.897 -1.418 160 HE21 GLN 43 1HE2 GLN 43 5.186 -12.138 -2.771 161 HE22 GLN 43 2HE2 GLN 43 5.739 -12.850 -4.284 162 H ASP 44 H ASP 44 4.732 -9.006 -1.616 163 HA ASP 44 HA ASP 44 3.682 -9.337 -4.350 164 HB2 ASP 44 2HB ASP 44 2.549 -9.525 -1.527 165 HB3 ASP 44 3HB ASP 44 1.576 -9.487 -2.955 166 H LEU 45 H LEU 45 3.297 -7.169 -1.531 167 HA LEU 45 HA LEU 45 1.656 -5.251 -2.897 168 HG LEU 45 HG LEU 45 1.135 -6.574 -0.255 169 HB2 LEU 45 2HB LEU 45 3.259 -5.362 -0.327 170 HB3 LEU 45 3HB LEU 45 2.454 -3.896 -0.820 171 HD11 LEU 45 1HD1 LEU 45 1.860 -5.250 1.706 172 HD12 LEU 45 2HD1 LEU 45 0.983 -3.836 1.091 173 HD13 LEU 45 3HD1 LEU 45 0.092 -5.298 1.600 174 HD21 LEU 45 3HD2 LEU 45 -0.235 -5.630 -1.978 175 HD22 LEU 45 1HD2 LEU 45 -1.032 -5.196 -0.470 176 HD23 LEU 45 2HD2 LEU 45 -0.048 -3.989 -1.344 177 H LYS 46 H LYS 46 5.168 -5.568 -2.710 178 HA LYS 46 HA LYS 46 5.884 -3.065 -4.103 179 HB2 LYS 46 2HB LYS 46 7.173 -5.694 -3.466 180 HB3 LYS 46 3HB LYS 46 7.738 -4.914 -4.928 181 HG2 LYS 46 2HG LYS 46 7.489 -3.241 -2.443 182 HG3 LYS 46 3HG LYS 46 8.801 -4.406 -2.501 183 HD2 LYS 46 2HD LYS 46 9.986 -3.285 -4.053 184 HD3 LYS 46 3HD LYS 46 8.596 -2.787 -4.982 185 HE2 LYS 46 2HE LYS 46 9.499 -1.476 -2.383 186 HE3 LYS 46 3HE LYS 46 9.936 -0.917 -3.994 187 HZ1 LYS 46 3HZ LYS 46 7.578 -0.536 -4.457 188 HZ2 LYS 46 1HZ LYS 46 7.160 -1.022 -2.952 189 HZ3 LYS 46 2HZ LYS 46 8.047 0.341 -3.186 190 H ASP 47 H ASP 47 5.315 -6.372 -5.330 191 HA ASP 47 HA ASP 47 5.324 -5.594 -8.056 192 HB2 ASP 47 2HB ASP 47 4.747 -7.976 -6.581 193 HB3 ASP 47 3HB ASP 47 3.322 -7.672 -7.520 194 H LEU 48 H LEU 48 2.350 -5.765 -6.055 195 HA LEU 48 HA LEU 48 0.906 -4.588 -8.193 196 HG LEU 48 HG LEU 48 -1.301 -3.642 -7.776 197 HB2 LEU 48 2HB LEU 48 -0.277 -5.724 -6.449 198 HB3 LEU 48 3HB LEU 48 0.188 -4.526 -5.245 199 HD11 LEU 48 1HD1 LEU 48 -3.435 -3.818 -6.402 200 HD12 LEU 48 2HD1 LEU 48 -2.767 -5.352 -6.963 201 HD13 LEU 48 3HD1 LEU 48 -2.538 -4.811 -5.254 202 HD21 LEU 48 3HD2 LEU 48 -2.272 -2.027 -6.193 203 HD22 LEU 48 1HD2 LEU 48 -1.181 -2.665 -4.933 204 HD23 LEU 48 2HD2 LEU 48 -0.560 -1.866 -6.429 205 H ALA 49 H ALA 49 2.653 -2.967 -5.474 206 HA ALA 49 HA ALA 49 1.805 -0.366 -6.209 207 HB1 ALA 49 1HB ALA 49 3.992 0.259 -5.047 208 HB2 ALA 49 2HB ALA 49 2.828 -0.734 -4.127 209 HB3 ALA 49 3HB ALA 49 4.279 -1.486 -4.872 210 H ARG 50 H ARG 50 4.183 -2.457 -7.767 211 HA ARG 50 HA ARG 50 5.202 -0.258 -9.446 212 HE ARG 50 HE ARG 50 9.053 -0.662 -7.570 213 HB2 ARG 50 2HB ARG 50 5.764 -3.137 -10.028 214 HB3 ARG 50 3HB ARG 50 6.713 -1.703 -10.387 215 HG2 ARG 50 2HG ARG 50 6.553 -3.340 -7.938 216 HG3 ARG 50 3HG ARG 50 7.931 -2.691 -8.650 217 HD2 ARG 50 2HD ARG 50 6.115 -0.866 -7.072 218 HD3 ARG 50 3HD ARG 50 7.288 -1.850 -6.321 219 HH11 ARG 50 2HH1 ARG 50 5.912 0.912 -7.893 220 HH12 ARG 50 1HH1 ARG 50 6.668 2.409 -8.432 221 HH21 ARG 50 2HH2 ARG 50 9.872 1.316 -8.192 222 HH22 ARG 50 1HH2 ARG 50 8.793 2.665 -8.448 223 H GLU 51 H GLU 51 2.702 -2.637 -9.540 224 HA GLU 51 HA GLU 51 1.753 -2.184 -12.255 225 HB2 GLU 51 2HB GLU 51 0.049 -2.923 -9.849 226 HB3 GLU 51 3HB GLU 51 -0.467 -2.905 -11.448 227 HG2 GLU 51 2HG GLU 51 1.908 -4.531 -10.489 228 HG3 GLU 51 3HG GLU 51 0.363 -5.157 -10.244 229 H ASN 52 H ASN 52 1.451 -0.482 -9.293 230 HA ASN 52 HA ASN 52 -0.576 1.403 -10.381 231 HB2 ASN 52 2HB ASN 52 0.046 0.033 -7.771 232 HB3 ASN 52 3HB ASN 52 -0.751 1.518 -7.698 233 HD21 ASN 52 2HD2 ASN 52 -1.032 -1.766 -8.638 234 HD22 ASN 52 1HD2 ASN 52 -2.770 -1.720 -8.935 235 H SER 53 H SER 53 2.718 1.551 -9.614 236 HA SER 53 HA SER 53 4.183 3.290 -9.802 237 HG SER 53 HG SER 53 2.265 3.309 -12.024 238 HB2 SER 53 2HB SER 53 1.819 5.058 -10.542 239 HB3 SER 53 3HB SER 53 3.538 5.477 -10.671 240 H LEU 54 H LEU 54 3.131 2.437 -7.435 241 HA LEU 54 HA LEU 54 2.345 4.635 -5.667 242 HG LEU 54 HG LEU 54 0.674 1.631 -4.396 243 HB2 LEU 54 2HB LEU 54 2.324 1.759 -5.750 244 HB3 LEU 54 3HB LEU 54 3.223 2.188 -4.326 245 HD11 LEU 54 1HD1 LEU 54 1.975 2.086 -2.333 246 HD12 LEU 54 2HD1 LEU 54 1.744 3.832 -2.584 247 HD13 LEU 54 3HD1 LEU 54 0.360 2.767 -2.248 248 HD21 LEU 54 3HD2 LEU 54 0.434 4.645 -4.578 249 HD22 LEU 54 1HD2 LEU 54 0.064 3.519 -5.916 250 HD23 LEU 54 2HD2 LEU 54 -0.847 3.435 -4.404 251 H GLU 55 H GLU 55 5.314 3.119 -6.546 252 HA GLU 55 HA GLU 55 7.444 2.984 -5.852 253 HB2 GLU 55 2HB GLU 55 6.959 5.778 -4.893 254 HB3 GLU 55 3HB GLU 55 8.512 5.091 -5.397 255 HG2 GLU 55 2HG GLU 55 6.085 5.939 -7.001 256 HG3 GLU 55 3HG GLU 55 7.701 6.622 -6.978 257 H THR 56 H THR 56 6.128 4.911 -3.518 258 HA THR 56 HA THR 56 6.460 5.499 -1.488 259 HB THR 56 HB THR 56 5.630 3.977 0.193 260 HG1 THR 56 1HG THR 56 6.519 1.988 -1.615 261 HG21 THR 56 1HG2 THR 56 4.438 2.855 -2.356 262 HG22 THR 56 2HG2 THR 56 3.658 3.060 -0.780 263 HG23 THR 56 3HG2 THR 56 4.046 4.467 -1.730 264 H THR 57 H THR 57 7.505 4.734 0.906 265 HA THR 57 HA THR 57 10.435 4.453 0.497 266 HB THR 57 HB THR 57 8.907 4.396 3.136 267 HG1 THR 57 1HG THR 57 8.926 6.510 3.203 268 HG21 THR 57 1HG2 THR 57 10.970 5.341 4.068 269 HG22 THR 57 2HG2 THR 57 11.255 3.766 3.319 270 HG23 THR 57 3HG2 THR 57 11.750 5.249 2.465 271 H PHE 58 H PHE 58 7.729 2.811 2.149 272 HA PHE 58 HA PHE 58 8.772 0.133 1.941 273 HD1 PHE 58 HD1 PHE 58 8.835 3.232 5.202 274 HD2 PHE 58 HD2 PHE 58 8.811 -1.050 5.708 275 HE1 PHE 58 HE1 PHE 58 7.968 3.493 7.523 276 HE2 PHE 58 HE2 PHE 58 7.936 -0.783 8.008 277 HZ PHE 58 HZ PHE 58 7.501 1.494 8.920 278 HB2 PHE 58 2HB PHE 58 9.843 -0.074 3.843 279 HB3 PHE 58 3HB PHE 58 10.225 1.597 3.736 280 H SER 59 H SER 59 7.596 -1.366 3.440 281 HA SER 59 HA SER 59 5.133 -0.297 4.687 282 HG SER 59 HG SER 59 3.845 -3.277 4.359 283 HB2 SER 59 2HB SER 59 4.326 -1.183 2.598 284 HB3 SER 59 3HB SER 59 5.220 -2.650 2.808 285 H SER 60 H SER 60 4.544 -1.317 6.489 286 HA SER 60 HA SER 60 6.171 -3.511 7.692 287 HG SER 60 HG SER 60 5.616 -0.793 8.862 288 HB2 SER 60 2HB SER 60 3.722 -1.946 8.598 289 HB3 SER 60 3HB SER 60 4.431 -3.300 9.511 290 H VAL 61 H VAL 61 5.769 -5.439 6.626 291 HA VAL 61 HA VAL 61 2.959 -6.424 6.631 292 HB VAL 61 HB VAL 61 4.760 -7.492 4.483 293 HG11 VAL 61 1HG1 VAL 61 2.508 -8.450 4.776 294 HG12 VAL 61 2HG1 VAL 61 1.785 -6.838 4.688 295 HG13 VAL 61 3HG1 VAL 61 2.537 -7.536 3.262 296 HG21 VAL 61 3HG2 VAL 61 5.051 -5.099 4.022 297 HG22 VAL 61 1HG2 VAL 61 3.939 -5.805 2.840 298 HG23 VAL 61 2HG2 VAL 61 3.289 -4.878 4.159 299 H ASN 62 H ASN 62 2.834 -8.801 6.600 300 HA ASN 62 HA ASN 62 3.205 -10.821 7.492 301 HB2 ASN 62 2HB ASN 62 6.164 -10.190 7.373 302 HB3 ASN 62 3HB ASN 62 5.435 -11.791 7.470 303 HD21 ASN 62 1HD2 ASN 62 7.006 -9.867 5.382 304 HD22 ASN 62 2HD2 ASN 62 6.314 -10.505 3.902 305 H THR 63 H THR 63 3.238 -8.262 9.259 306 HA THR 63 HA THR 63 4.308 -9.085 11.827 307 HB THR 63 HB THR 63 2.699 -7.068 12.508 308 HG1 THR 63 1HG THR 63 1.600 -6.866 10.527 309 HG21 THR 63 1HG2 THR 63 4.456 -5.495 11.828 310 HG22 THR 63 2HG2 THR 63 5.144 -6.975 12.505 311 HG23 THR 63 3HG2 THR 63 5.160 -6.723 10.745 312 H ARG 64 H ARG 64 2.809 -11.124 10.760 313 HA ARG 64 HA ARG 64 1.215 -12.644 10.903 314 HE ARG 64 HE ARG 64 0.507 -14.496 10.617 315 HB2 ARG 64 2HB ARG 64 1.946 -12.255 13.471 316 HB3 ARG 64 3HB ARG 64 0.243 -11.866 13.620 317 HG2 ARG 64 2HG ARG 64 1.539 -14.490 12.788 318 HG3 ARG 64 3HG ARG 64 0.577 -14.142 14.206 319 HD2 ARG 64 2HD ARG 64 -0.893 -15.382 12.985 320 HD3 ARG 64 3HD ARG 64 -1.397 -13.752 12.521 321 HH11 ARG 64 1HH1 ARG 64 -2.538 -16.014 11.575 322 HH12 ARG 64 2HH1 ARG 64 -2.851 -16.484 9.912 323 HH21 ARG 64 2HH2 ARG 64 -0.097 -15.113 8.560 324 HH22 ARG 64 1HH2 ARG 64 -1.596 -15.993 8.364 325 H ASP 65 H ASP 65 -0.162 -9.652 12.228 326 HA ASP 65 HA ASP 65 -2.138 -8.546 11.846 327 HB2 ASP 65 2HB ASP 65 -1.977 -9.763 9.077 328 HB3 ASP 65 3HB ASP 65 -2.699 -8.230 9.531 329 H PHE 66 H PHE 66 -4.404 -9.215 10.097 330 HA PHE 66 HA PHE 66 -5.823 -11.212 11.658 331 HD1 PHE 66 HD2 PHE 66 -7.450 -12.438 8.313 332 HD2 PHE 66 HD1 PHE 66 -5.968 -8.399 8.152 333 HE1 PHE 66 HE2 PHE 66 -7.253 -12.612 5.846 334 HE2 PHE 66 HE1 PHE 66 -5.753 -8.598 5.662 335 HZ PHE 66 HZ PHE 66 -6.460 -10.663 4.527 336 HB2 PHE 66 2HB PHE 66 -7.625 -10.839 10.267 337 HB3 PHE 66 3HB PHE 66 -6.792 -9.291 10.232 338 H ASP 67 H ASP 67 -3.975 -11.205 8.699 339 HA ASP 67 HA ASP 67 -2.978 -13.827 8.986 340 HB2 ASP 67 2HB ASP 67 -5.250 -14.386 7.931 341 HB3 ASP 67 3HB ASP 67 -4.710 -13.503 6.504 342 H GLY 68 H GLY 68 -3.524 -10.990 6.909 343 HA2 GLY 68 2HA GLY 68 -0.730 -10.396 6.831 344 HA3 GLY 68 3HA GLY 68 -1.236 -11.051 5.278 345 H THR 69 H THR 69 -0.857 -8.235 6.978 346 HA THR 69 HA THR 69 -2.409 -6.690 4.925 347 HB THR 69 HB THR 69 -2.983 -4.962 6.540 348 HG1 THR 69 1HG THR 69 -1.323 -5.561 8.118 349 HG21 THR 69 1HG2 THR 69 -4.625 -6.726 6.109 350 HG22 THR 69 2HG2 THR 69 -3.964 -7.675 7.462 351 HG23 THR 69 3HG2 THR 69 -4.747 -6.111 7.780 352 H GLY 70 H GLY 70 -1.303 -5.109 4.001 353 HA2 GLY 70 2HA GLY 70 1.452 -4.544 4.907 354 HA3 GLY 70 3HA GLY 70 0.665 -3.887 3.463 355 H ALA 71 H ALA 71 2.127 -2.535 5.592 356 HA ALA 71 HA ALA 71 0.113 -0.449 5.747 357 HB1 ALA 71 1HB ALA 71 0.186 -1.728 7.964 358 HB2 ALA 71 2HB ALA 71 1.780 -0.989 8.219 359 HB3 ALA 71 3HB ALA 71 0.321 0.021 8.035 360 H LEU 72 H LEU 72 0.918 0.911 4.370 361 HA LEU 72 HA LEU 72 3.769 1.006 3.643 362 HG LEU 72 HG LEU 72 1.913 1.192 0.423 363 HB2 LEU 72 2HB LEU 72 1.209 1.982 2.529 364 HB3 LEU 72 3HB LEU 72 2.596 2.811 2.038 365 HD11 LEU 72 1HD1 LEU 72 4.593 0.293 1.440 366 HD12 LEU 72 2HD1 LEU 72 3.991 0.510 -0.201 367 HD13 LEU 72 3HD1 LEU 72 4.303 1.883 0.869 368 HD21 LEU 72 3HD2 LEU 72 2.262 -1.258 0.794 369 HD22 LEU 72 1HD2 LEU 72 2.268 -0.904 2.538 370 HD23 LEU 72 2HD2 LEU 72 0.863 -0.526 1.592 371 H GLU 73 H GLU 73 4.894 2.912 3.365 372 HA GLU 73 HA GLU 73 3.966 5.413 4.835 373 HB2 GLU 73 2HB GLU 73 5.322 4.033 6.299 374 HB3 GLU 73 3HB GLU 73 6.611 3.962 5.103 375 HG2 GLU 73 2HG GLU 73 5.838 6.725 5.899 376 HG3 GLU 73 3HG GLU 73 6.428 5.730 7.218 377 H PHE 74 H PHE 74 4.793 7.450 4.124 378 HA PHE 74 HA PHE 74 7.076 7.529 2.351 379 HD1 PHE 74 HD2 PHE 74 7.364 6.743 0.152 380 HD2 PHE 74 HD1 PHE 74 5.658 10.653 -0.156 381 HE1 PHE 74 HE2 PHE 74 9.094 7.345 -1.544 382 HE2 PHE 74 HE1 PHE 74 7.413 11.307 -1.772 383 HZ PHE 74 HZ PHE 74 9.126 9.649 -2.485 384 HB2 PHE 74 2HB PHE 74 4.756 7.425 0.912 385 HB3 PHE 74 3HB PHE 74 4.745 9.099 1.337 386 HA PRO 75 HA PRO 75 7.918 11.692 4.026 387 HB2 PRO 75 2HB PRO 75 8.748 11.944 1.103 388 HB3 PRO 75 3HB PRO 75 9.520 12.717 2.509 389 HG2 PRO 75 2HG PRO 75 10.542 10.425 1.603 390 HG3 PRO 75 3HG PRO 75 10.235 10.566 3.365 391 HD2 PRO 75 2HD PRO 75 8.619 9.175 1.266 392 HD3 PRO 75 3HD PRO 75 8.957 8.675 2.941 393 H SER 76 H SER 76 5.465 11.311 1.561 394 HA SER 76 HA SER 76 4.476 14.088 2.028 395 HG SER 76 HG SER 76 6.170 14.725 -1.030 396 HB2 SER 76 2HB SER 76 4.746 12.792 -0.670 397 HB3 SER 76 3HB SER 76 4.108 14.373 -0.392 398 H GLU 77 H GLU 77 2.237 14.008 2.332 399 HA GLU 77 HA GLU 77 0.846 11.568 2.090 400 HB2 GLU 77 2HB GLU 77 -1.208 12.703 2.541 401 HB3 GLU 77 3HB GLU 77 0.079 13.185 3.622 402 HG2 GLU 77 2HG GLU 77 0.396 15.236 2.109 403 HG3 GLU 77 3HG GLU 77 -1.098 14.757 1.292 404 H GLU 78 H GLU 78 1.682 13.635 -0.456 405 HA GLU 78 HA GLU 78 -0.194 13.116 -2.581 406 HB2 GLU 78 2HB GLU 78 2.853 12.825 -2.547 407 HB3 GLU 78 3HB GLU 78 1.836 12.988 -3.977 408 HG2 GLU 78 2HG GLU 78 1.236 15.285 -3.318 409 HG3 GLU 78 3HG GLU 78 2.162 15.125 -1.821 410 H ILE 79 H ILE 79 2.404 10.895 -1.488 411 HA ILE 79 HA ILE 79 1.414 8.867 -3.245 412 HB ILE 79 HB ILE 79 3.267 8.678 -0.825 413 HG12 ILE 79 2HG1 ILE 79 3.561 9.804 -3.526 414 HG13 ILE 79 3HG1 ILE 79 4.421 10.147 -2.086 415 HG21 ILE 79 1HG2 ILE 79 2.472 6.456 -1.433 416 HG22 ILE 79 2HG2 ILE 79 2.884 6.746 -3.139 417 HG23 ILE 79 3HG2 ILE 79 4.156 6.645 -1.886 418 HD11 ILE 79 3HD1 ILE 79 4.958 7.946 -4.116 419 HD12 ILE 79 1HD1 ILE 79 5.938 9.384 -3.743 420 HD13 ILE 79 2HD1 ILE 79 5.820 8.065 -2.562 421 H LEU 80 H LEU 80 0.786 9.537 0.118 422 HA LEU 80 HA LEU 80 -0.631 7.199 0.776 423 HG LEU 80 HG LEU 80 -2.402 10.289 2.158 424 HB2 LEU 80 2HB LEU 80 -0.202 8.248 2.668 425 HB3 LEU 80 3HB LEU 80 -0.030 9.778 1.915 426 HD11 LEU 80 1HD1 LEU 80 -3.924 8.992 3.325 427 HD12 LEU 80 2HD1 LEU 80 -3.123 7.753 2.329 428 HD13 LEU 80 3HD1 LEU 80 -2.672 7.962 4.035 429 HD21 LEU 80 3HD2 LEU 80 -1.076 9.285 4.695 430 HD22 LEU 80 1HD2 LEU 80 -0.771 10.866 3.955 431 HD23 LEU 80 2HD2 LEU 80 -2.376 10.456 4.611 432 H VAL 81 H VAL 81 -1.951 10.427 -0.160 433 HA VAL 81 HA VAL 81 -4.722 9.755 -0.343 434 HB VAL 81 HB VAL 81 -3.019 11.883 -1.722 435 HG11 VAL 81 1HG1 VAL 81 -6.059 11.747 -1.469 436 HG12 VAL 81 2HG1 VAL 81 -5.145 13.183 -1.988 437 HG13 VAL 81 3HG1 VAL 81 -5.114 11.729 -2.979 438 HG21 VAL 81 3HG2 VAL 81 -3.796 13.417 -0.025 439 HG22 VAL 81 1HG2 VAL 81 -4.864 12.180 0.686 440 HG23 VAL 81 2HG2 VAL 81 -3.103 12.031 0.792 441 H GLU 82 H GLU 82 -2.128 9.737 -2.790 442 HA GLU 82 HA GLU 82 -3.567 9.206 -5.127 443 HB2 GLU 82 2HB GLU 82 -1.458 10.202 -4.705 444 HB3 GLU 82 3HB GLU 82 -0.819 8.726 -3.958 445 HG2 GLU 82 2HG GLU 82 0.194 9.510 -5.873 446 HG3 GLU 82 3HG GLU 82 -0.432 7.803 -5.963 447 H ALA 83 H ALA 83 -1.762 6.869 -2.975 448 HA ALA 83 HA ALA 83 -2.893 4.410 -3.960 449 HB1 ALA 83 1HB ALA 83 -0.950 4.745 -2.398 450 HB2 ALA 83 2HB ALA 83 -2.098 5.107 -1.107 451 HB3 ALA 83 3HB ALA 83 -2.124 3.509 -1.881 452 H LEU 84 H LEU 84 -4.260 6.705 -1.603 453 HA LEU 84 HA LEU 84 -6.524 5.028 -0.795 454 HG LEU 84 HG LEU 84 -4.858 7.779 0.918 455 HB2 LEU 84 2HB LEU 84 -6.463 8.058 -0.643 456 HB3 LEU 84 3HB LEU 84 -7.580 6.982 0.092 457 HD11 LEU 84 1HD1 LEU 84 -7.385 7.036 2.399 458 HD12 LEU 84 2HD1 LEU 84 -5.912 7.756 3.095 459 HD13 LEU 84 3HD1 LEU 84 -6.870 8.673 1.917 460 HD21 LEU 84 3HD2 LEU 84 -4.705 5.788 2.440 461 HD22 LEU 84 1HD2 LEU 84 -6.025 5.047 1.439 462 HD23 LEU 84 2HD2 LEU 84 -4.450 5.411 0.722 463 H GLU 85 H GLU 85 -5.934 7.128 -3.511 464 HA GLU 85 HA GLU 85 -8.695 6.650 -4.385 465 HB2 GLU 85 2HB GLU 85 -6.440 8.357 -5.523 466 HB3 GLU 85 3HB GLU 85 -8.043 8.220 -6.268 467 HG2 GLU 85 2HG GLU 85 -9.100 9.254 -4.356 468 HG3 GLU 85 3HG GLU 85 -7.577 9.309 -3.470 469 H ARG 86 H ARG 86 -5.618 5.129 -4.828 470 HA ARG 86 HA ARG 86 -6.198 4.213 -7.612 471 HE ARG 86 HE ARG 86 -3.359 8.044 -8.468 472 HB2 ARG 86 2HB ARG 86 -3.789 5.004 -6.016 473 HB3 ARG 86 3HB ARG 86 -3.526 3.673 -6.901 474 HG2 ARG 86 2HG ARG 86 -2.850 5.766 -8.054 475 HG3 ARG 86 3HG ARG 86 -3.983 4.827 -9.021 476 HD2 ARG 86 2HD ARG 86 -5.686 6.321 -8.890 477 HD3 ARG 86 3HD ARG 86 -5.353 6.678 -7.195 478 HH11 ARG 86 1HH1 ARG 86 -6.884 8.148 -8.569 479 HH12 ARG 86 2HH1 ARG 86 -6.909 9.757 -7.867 480 HH21 ARG 86 2HH2 ARG 86 -3.562 10.245 -7.891 481 HH22 ARG 86 1HH2 ARG 86 -5.177 10.922 -7.733 482 H LEU 87 H LEU 87 -5.624 3.045 -4.341 483 HA LEU 87 HA LEU 87 -5.902 0.258 -5.216 484 HG LEU 87 HG LEU 87 -3.553 -0.272 -5.286 485 HB2 LEU 87 2HB LEU 87 -4.171 1.616 -3.120 486 HB3 LEU 87 3HB LEU 87 -4.566 -0.044 -3.056 487 HD11 LEU 87 1HD1 LEU 87 -3.434 1.484 -6.445 488 HD12 LEU 87 2HD1 LEU 87 -3.008 2.557 -5.058 489 HD13 LEU 87 3HD1 LEU 87 -1.785 1.512 -5.805 490 HD21 LEU 87 3HD2 LEU 87 -2.295 -0.843 -3.217 491 HD22 LEU 87 1HD2 LEU 87 -1.211 -0.225 -4.476 492 HD23 LEU 87 2HD2 LEU 87 -1.712 0.837 -3.140 493 H ASN 88 H ASN 88 -7.742 2.616 -3.718 494 HA ASN 88 HA ASN 88 -8.652 1.086 -1.425 495 HB2 ASN 88 2HB ASN 88 -8.772 3.487 -1.421 496 HB3 ASN 88 3HB ASN 88 -9.885 3.482 -2.801 497 HD21 ASN 88 2HD2 ASN 88 -9.504 2.704 0.644 498 HD22 ASN 88 1HD2 ASN 88 -11.219 2.590 0.956 499 H ASN 89 H ASN 89 -9.255 -0.893 -1.906 500 HA ASN 89 HA ASN 89 -10.695 -2.562 -2.212 501 HB2 ASN 89 2HB ASN 89 -12.201 -0.992 -1.091 502 HB3 ASN 89 3HB ASN 89 -12.824 -0.453 -2.635 503 HD21 ASN 89 1HD2 ASN 89 -12.423 -3.203 -0.397 504 HD22 ASN 89 2HD2 ASN 89 -13.810 -4.114 -0.993 505 H ILE 90 H ILE 90 -8.962 -2.290 -3.990 506 HA ILE 90 HA ILE 90 -10.120 -2.457 -6.752 507 HB ILE 90 HB ILE 90 -7.826 -2.115 -7.585 508 HG12 ILE 90 2HG1 ILE 90 -6.718 -1.679 -4.848 509 HG13 ILE 90 3HG1 ILE 90 -6.693 -3.268 -5.537 510 HG21 ILE 90 1HG2 ILE 90 -9.334 -0.232 -7.101 511 HG22 ILE 90 2HG2 ILE 90 -8.504 0.006 -5.553 512 HG23 ILE 90 3HG2 ILE 90 -7.621 0.165 -7.096 513 HD11 ILE 90 3HD1 ILE 90 -5.487 -0.941 -7.017 514 HD12 ILE 90 1HD1 ILE 90 -4.632 -2.075 -5.950 515 HD13 ILE 90 2HD1 ILE 90 -5.424 -2.677 -7.414 516 H GLU 91 H GLU 91 -9.586 -4.267 -8.034 517 HA GLU 91 HA GLU 91 -8.947 -6.701 -6.496 518 HB2 GLU 91 2HB GLU 91 -10.867 -6.530 -8.139 519 HB3 GLU 91 3HB GLU 91 -9.594 -6.544 -9.356 520 HG2 GLU 91 2HG GLU 91 -8.774 -8.715 -8.326 521 HG3 GLU 91 3HG GLU 91 -10.253 -8.727 -7.374 522 H PHE 92 H PHE 92 -6.986 -6.998 -6.083 523 HA PHE 92 HA PHE 92 -4.616 -6.319 -7.633 524 HD1 PHE 92 HD1 PHE 92 -2.543 -7.897 -7.570 525 HD2 PHE 92 HD2 PHE 92 -3.196 -7.280 -3.341 526 HE1 PHE 92 HE1 PHE 92 -0.213 -8.516 -7.121 527 HE2 PHE 92 HE2 PHE 92 -0.830 -7.868 -2.914 528 HZ PHE 92 HZ PHE 92 0.656 -8.503 -4.812 529 HB2 PHE 92 2HB PHE 92 -4.828 -6.351 -5.137 530 HB3 PHE 92 3HB PHE 92 -5.104 -7.963 -5.136 531 H ARG 93 H ARG 93 -5.333 -7.425 -9.586 532 HA ARG 93 HA ARG 93 -5.156 -9.003 -11.184 533 HE ARG 93 HE ARG 93 -0.143 -7.869 -11.376 534 HB2 ARG 93 2HB ARG 93 -3.261 -10.381 -9.251 535 HB3 ARG 93 3HB ARG 93 -3.398 -10.732 -10.967 536 HG2 ARG 93 2HG ARG 93 -2.523 -8.576 -11.595 537 HG3 ARG 93 3HG ARG 93 -2.543 -8.002 -9.910 538 HD2 ARG 93 2HD ARG 93 -0.966 -9.731 -9.238 539 HD3 ARG 93 3HD ARG 93 -0.975 -10.433 -10.866 540 HH11 ARG 93 2HH1 ARG 93 1.133 -10.309 -9.122 541 HH12 ARG 93 1HH1 ARG 93 2.756 -9.642 -9.348 542 HH21 ARG 93 1HH2 ARG 93 1.892 -7.285 -11.580 543 HH22 ARG 93 2HH2 ARG 93 3.173 -8.090 -10.615 544 H GLY 94 H GLY 94 -6.447 -10.015 -8.261 545 HA2 GLY 94 2HA GLY 94 -8.269 -11.999 -9.001 546 HA3 GLY 94 3HA GLY 94 -6.750 -12.829 -8.621 547 H SER 95 H SER 95 -6.085 -10.556 -6.478 548 HA SER 95 HA SER 95 -7.893 -11.476 -4.324 549 HG SER 95 HG SER 95 -4.305 -11.792 -3.713 550 HB2 SER 95 2HB SER 95 -5.238 -9.940 -4.309 551 HB3 SER 95 3HB SER 95 -6.168 -10.440 -2.919 552 H VAL 96 H VAL 96 -7.932 -9.266 -2.864 553 HA VAL 96 HA VAL 96 -8.009 -6.857 -4.500 554 HB VAL 96 HB VAL 96 -10.132 -6.615 -4.840 555 HG11 VAL 96 1HG1 VAL 96 -10.580 -8.869 -4.785 556 HG12 VAL 96 2HG1 VAL 96 -10.795 -8.863 -3.004 557 HG13 VAL 96 3HG1 VAL 96 -11.930 -7.986 -4.074 558 HG21 VAL 96 3HG2 VAL 96 -10.621 -6.351 -1.883 559 HG22 VAL 96 1HG2 VAL 96 -10.123 -5.062 -3.003 560 HG23 VAL 96 2HG2 VAL 96 -11.684 -5.839 -3.208 561 H ILE 97 H ILE 97 -7.691 -4.995 -3.219 562 HA ILE 97 HA ILE 97 -7.236 -5.335 -0.285 563 HB ILE 97 HB ILE 97 -5.412 -3.503 -0.663 564 HG12 ILE 97 2HG1 ILE 97 -5.207 -4.971 -3.296 565 HG13 ILE 97 3HG1 ILE 97 -5.804 -3.312 -3.113 566 HG21 ILE 97 1HG2 ILE 97 -5.057 -5.739 0.341 567 HG22 ILE 97 2HG2 ILE 97 -4.702 -6.391 -1.275 568 HG23 ILE 97 3HG2 ILE 97 -3.668 -5.122 -0.525 569 HD11 ILE 97 3HD1 ILE 97 -3.536 -3.150 -3.832 570 HD12 ILE 97 1HD1 ILE 97 -3.570 -2.680 -2.117 571 HD13 ILE 97 2HD1 ILE 97 -2.975 -4.295 -2.598 572 H THR 98 H THR 98 -7.593 -3.593 0.914 573 HA THR 98 HA THR 98 -8.990 -1.211 -0.200 574 HB THR 98 HB THR 98 -9.519 -2.640 2.405 575 HG1 THR 98 1HG THR 98 -10.324 -3.820 0.647 576 HG21 THR 98 1HG2 THR 98 -11.544 -1.239 2.484 577 HG22 THR 98 2HG2 THR 98 -10.066 -0.260 2.540 578 HG23 THR 98 3HG2 THR 98 -11.003 -0.377 1.023 579 H VAL 99 H VAL 99 -8.219 0.703 0.578 580 HA VAL 99 HA VAL 99 -5.976 0.545 2.501 581 HB VAL 99 HB VAL 99 -4.470 1.732 1.126 582 HG11 VAL 99 1HG1 VAL 99 -4.071 0.166 -0.646 583 HG12 VAL 99 2HG1 VAL 99 -4.760 -0.737 0.706 584 HG13 VAL 99 3HG1 VAL 99 -5.765 -0.351 -0.679 585 HG21 VAL 99 3HG2 VAL 99 -5.086 2.266 -1.229 586 HG22 VAL 99 1HG2 VAL 99 -6.779 1.915 -0.790 587 HG23 VAL 99 2HG2 VAL 99 -5.898 3.245 -0.015 588 H GLU 100 H GLU 100 -5.472 2.296 3.638 589 HA GLU 100 HA GLU 100 -6.981 4.824 3.424 590 HB2 GLU 100 2HB GLU 100 -8.356 4.492 5.453 591 HB3 GLU 100 3HB GLU 100 -8.763 3.312 4.221 592 HG2 GLU 100 2HG GLU 100 -7.020 1.770 5.549 593 HG3 GLU 100 3HG GLU 100 -7.355 2.897 6.857 594 H ARG 101 H ARG 101 -6.428 6.434 4.949 595 HA ARG 101 HA ARG 101 -3.753 6.254 5.939 596 HE ARG 101 HE ARG 101 -3.739 10.786 6.726 597 HB2 ARG 101 2HB ARG 101 -3.791 8.433 6.132 598 HB3 ARG 101 3HB ARG 101 -5.218 8.325 5.176 599 HG2 ARG 101 2HG ARG 101 -6.552 8.420 7.374 600 HG3 ARG 101 3HG ARG 101 -5.023 8.889 8.133 601 HD2 ARG 101 2HD ARG 101 -6.543 10.330 5.925 602 HD3 ARG 101 3HD ARG 101 -6.301 10.886 7.579 603 HH11 ARG 101 1HH2 ARG 101 -6.477 12.108 4.929 604 HH12 ARG 101 2HH2 ARG 101 -5.467 13.322 4.188 605 HH21 ARG 101 1HH1 ARG 101 -2.670 12.416 5.944 606 HH22 ARG 101 2HH1 ARG 101 -3.302 13.481 4.664 607 H ASP 102 H ASP 102 -2.854 5.771 7.805 608 HA ASP 102 HA ASP 102 -4.652 4.687 9.930 609 HB2 ASP 102 2HB ASP 102 -3.663 3.103 8.234 610 HB3 ASP 102 3HB ASP 102 -2.061 3.502 8.883 611 H ASP 103 H ASP 103 -1.972 6.790 9.503 612 HA ASP 103 HA ASP 103 -1.793 7.053 12.490 613 HB2 ASP 103 2HB ASP 103 0.456 6.744 10.534 614 HB3 ASP 103 3HB ASP 103 0.631 8.048 11.679 615 H ASN 104 H ASN 104 -1.466 8.653 9.309 616 HA ASN 104 HA ASN 104 -2.865 10.959 10.056 617 HB2 ASN 104 2HB ASN 104 -0.387 11.324 11.074 618 HB3 ASN 104 3HB ASN 104 -0.009 11.739 9.406 619 HD21 ASN 104 1HD2 ASN 104 -2.465 13.033 8.724 620 HD22 ASN 104 2HD2 ASN 104 -2.616 14.496 9.731 Start of MODEL 12 1 HA PRO 25 HA PRO 25 10.418 14.729 8.067 2 HB2 PRO 25 2HB PRO 25 10.237 14.214 5.068 3 HB3 PRO 25 3HB PRO 25 11.608 14.902 5.995 4 HG2 PRO 25 2HG PRO 25 11.247 12.172 5.406 5 HG3 PRO 25 3HG PRO 25 12.217 12.775 6.777 6 HD2 PRO 25 2HD PRO 25 9.792 11.265 6.969 7 HD3 PRO 25 3HD PRO 25 10.695 12.060 8.278 8 H ALA 26 H ALA 26 9.325 15.969 5.043 9 HA ALA 26 HA ALA 26 7.848 18.180 5.975 10 HB1 ALA 26 1HB ALA 26 7.048 18.282 3.635 11 HB2 ALA 26 2HB ALA 26 8.784 17.897 3.696 12 HB3 ALA 26 3HB ALA 26 7.592 16.613 3.362 13 H LYS 27 H LYS 27 6.778 14.996 4.995 14 HA LYS 27 HA LYS 27 4.490 14.995 6.871 15 HB2 LYS 27 2HB LYS 27 4.188 14.793 3.938 16 HB3 LYS 27 3HB LYS 27 3.884 13.253 4.648 17 HG2 LYS 27 2HG LYS 27 2.493 15.811 5.528 18 HG3 LYS 27 3HG LYS 27 1.876 14.604 4.398 19 HD2 LYS 27 2HD LYS 27 2.259 12.898 6.359 20 HD3 LYS 27 3HD LYS 27 2.290 14.335 7.390 21 HE2 LYS 27 2HE LYS 27 0.044 13.364 5.600 22 HE3 LYS 27 3HE LYS 27 0.094 13.263 7.348 23 HZ1 LYS 27 3HZ LYS 27 -1.245 15.141 6.553 24 HZ2 LYS 27 1HZ LYS 27 0.028 15.721 7.416 25 HZ3 LYS 27 2HZ LYS 27 0.010 15.800 5.761 26 H ARG 28 H ARG 28 4.042 12.805 7.493 27 HA ARG 28 HA ARG 28 5.371 10.623 6.240 28 HE ARG 28 HE ARG 28 6.666 7.827 9.581 29 HB2 ARG 28 2HB ARG 28 6.486 9.590 7.941 30 HB3 ARG 28 3HB ARG 28 7.210 11.154 7.770 31 HG2 ARG 28 2HG ARG 28 6.611 11.880 9.858 32 HG3 ARG 28 3HG ARG 28 5.078 11.023 9.888 33 HD2 ARG 28 2HD ARG 28 7.817 9.779 10.101 34 HD3 ARG 28 3HD ARG 28 6.721 10.058 11.476 35 HH11 ARG 28 1HH1 ARG 28 4.314 9.737 11.442 36 HH12 ARG 28 2HH1 ARG 28 3.080 8.516 11.107 37 HH21 ARG 28 2HH2 ARG 28 4.986 6.348 9.433 38 HH22 ARG 28 1HH2 ARG 28 3.423 6.823 10.138 39 H TYR 29 H TYR 29 4.142 8.862 6.419 40 HA TYR 29 HA TYR 29 1.767 8.876 8.195 41 HD1 TYR 29 HD2 TYR 29 0.845 6.634 5.025 42 HD2 TYR 29 HD1 TYR 29 2.460 10.550 4.054 43 HE1 TYR 29 HE2 TYR 29 1.481 5.799 2.804 44 HE2 TYR 29 HE1 TYR 29 2.874 9.770 1.804 45 HH TYR 29 HH TYR 29 2.146 6.351 0.757 46 HB2 TYR 29 2HB TYR 29 0.237 8.701 6.319 47 HB3 TYR 29 3HB TYR 29 1.143 10.173 6.128 48 H ARG 30 H ARG 30 0.633 6.815 7.991 49 HA ARG 30 HA ARG 30 2.075 4.625 6.560 50 HE ARG 30 HE ARG 30 4.038 3.420 8.493 51 HB2 ARG 30 2HB ARG 30 2.565 4.538 9.003 52 HB3 ARG 30 3HB ARG 30 0.856 4.599 9.298 53 HG2 ARG 30 2HG ARG 30 1.575 2.378 9.705 54 HG3 ARG 30 3HG ARG 30 0.557 2.347 8.274 55 HD2 ARG 30 2HD ARG 30 2.582 0.883 8.193 56 HD3 ARG 30 3HD ARG 30 2.419 1.986 6.843 57 HH11 ARG 30 1HH1 ARG 30 4.483 0.165 7.243 58 HH12 ARG 30 2HH1 ARG 30 6.187 0.204 7.628 59 HH21 ARG 30 1HH2 ARG 30 6.135 3.451 8.670 60 HH22 ARG 30 2HH2 ARG 30 7.103 2.027 8.348 61 H ILE 31 H ILE 31 0.737 3.515 5.292 62 HA ILE 31 HA ILE 31 -2.206 3.709 5.687 63 HB ILE 31 HB ILE 31 -2.557 3.134 3.333 64 HG12 ILE 31 2HG1 ILE 31 0.422 3.454 2.914 65 HG13 ILE 31 3HG1 ILE 31 -0.490 1.931 2.949 66 HG21 ILE 31 1HG2 ILE 31 -2.011 5.271 2.294 67 HG22 ILE 31 2HG2 ILE 31 -2.613 5.457 3.940 68 HG23 ILE 31 3HG2 ILE 31 -0.873 5.639 3.612 69 HD11 ILE 31 3HD1 ILE 31 -0.710 4.115 0.867 70 HD12 ILE 31 1HD1 ILE 31 -0.119 2.459 0.671 71 HD13 ILE 31 2HD1 ILE 31 -1.844 2.743 1.000 72 H THR 32 H THR 32 -3.316 1.834 5.115 73 HA THR 32 HA THR 32 -1.856 -0.771 5.506 74 HB THR 32 HB THR 32 -4.420 0.377 6.574 75 HG1 THR 32 1HG THR 32 -3.377 -0.131 8.522 76 HG21 THR 32 1HG2 THR 32 -4.712 -1.889 7.780 77 HG22 THR 32 2HG2 THR 32 -5.286 -1.674 6.114 78 HG23 THR 32 3HG2 THR 32 -3.765 -2.526 6.414 79 H MET 33 H MET 33 -2.299 -2.261 4.117 80 HA MET 33 HA MET 33 -4.599 -1.920 2.310 81 HB2 MET 33 2HB MET 33 -1.905 -3.080 1.477 82 HB3 MET 33 3HB MET 33 -3.254 -2.645 0.443 83 HG2 MET 33 2HG MET 33 -2.843 -0.226 1.453 84 HG3 MET 33 3HG MET 33 -1.288 -0.899 1.872 85 HE1 MET 33 3HE MET 33 -0.051 -1.961 -1.740 86 HE2 MET 33 1HE MET 33 -0.045 -2.369 0.003 87 HE3 MET 33 2HE MET 33 -1.442 -2.813 -1.012 88 H LYS 34 H LYS 34 -6.018 -3.560 2.322 89 HA LYS 34 HA LYS 34 -5.195 -6.396 2.829 90 HB2 LYS 34 2HB LYS 34 -7.356 -6.066 4.629 91 HB3 LYS 34 3HB LYS 34 -5.846 -6.379 4.937 92 HG2 LYS 34 2HG LYS 34 -6.659 -4.541 6.329 93 HG3 LYS 34 3HG LYS 34 -5.626 -3.693 5.160 94 HD2 LYS 34 2HD LYS 34 -7.703 -3.410 3.708 95 HD3 LYS 34 3HD LYS 34 -8.662 -4.132 4.961 96 HE2 LYS 34 2HE LYS 34 -7.081 -1.520 5.130 97 HE3 LYS 34 3HE LYS 34 -8.809 -1.665 4.849 98 HZ1 LYS 34 3HZ LYS 34 -9.009 -2.729 7.054 99 HZ2 LYS 34 1HZ LYS 34 -7.420 -2.441 7.359 100 HZ3 LYS 34 2HZ LYS 34 -8.467 -1.191 7.120 101 H ASN 35 H ASN 35 -6.939 -7.863 2.897 102 HA ASN 35 HA ASN 35 -9.412 -6.858 3.109 103 HB2 ASN 35 2HB ASN 35 -9.722 -6.105 1.081 104 HB3 ASN 35 3HB ASN 35 -8.646 -7.148 0.287 105 HD21 ASN 35 2HD2 ASN 35 -9.371 -9.109 -0.619 106 HD22 ASN 35 1HD2 ASN 35 -11.095 -9.327 -0.966 107 H LEU 36 H LEU 36 -11.258 -8.778 2.541 108 HA LEU 36 HA LEU 36 -11.019 -10.184 4.864 109 HG LEU 36 HG LEU 36 -13.388 -10.053 5.355 110 HB2 LEU 36 2HB LEU 36 -12.725 -10.601 2.424 111 HB3 LEU 36 3HB LEU 36 -12.770 -11.785 3.721 112 HD11 LEU 36 1HD1 LEU 36 -12.444 -8.010 4.397 113 HD12 LEU 36 2HD1 LEU 36 -13.488 -8.163 2.964 114 HD13 LEU 36 3HD1 LEU 36 -14.188 -7.829 4.558 115 HD21 LEU 36 3HD2 LEU 36 -15.121 -11.334 4.152 116 HD22 LEU 36 1HD2 LEU 36 -15.677 -9.699 4.538 117 HD23 LEU 36 2HD2 LEU 36 -15.166 -10.088 2.877 118 HA PRO 37 HA PRO 37 -9.136 -14.152 3.267 119 HB2 PRO 37 2HB PRO 37 -8.533 -14.702 0.684 120 HB3 PRO 37 3HB PRO 37 -10.201 -14.795 1.328 121 HG2 PRO 37 2HG PRO 37 -8.912 -12.519 -0.183 122 HG3 PRO 37 3HG PRO 37 -10.499 -13.282 -0.493 123 HD2 PRO 37 2HD PRO 37 -10.243 -10.979 0.961 124 HD3 PRO 37 3HD PRO 37 -11.493 -12.202 1.320 125 H GLU 38 H GLU 38 -7.587 -11.167 2.067 126 HA GLU 38 HA GLU 38 -4.941 -12.443 2.551 127 HB2 GLU 38 2HB GLU 38 -4.088 -11.760 0.485 128 HB3 GLU 38 3HB GLU 38 -5.610 -12.568 0.145 129 HG2 GLU 38 2HG GLU 38 -5.317 -9.527 0.230 130 HG3 GLU 38 3HG GLU 38 -5.044 -10.483 -1.189 131 H GLY 39 H GLY 39 -3.153 -11.252 2.821 132 HA2 GLY 39 2HA GLY 39 -3.333 -8.276 3.169 133 HA3 GLY 39 3HA GLY 39 -2.446 -9.332 4.287 134 H CYS 40 H CYS 40 -2.065 -10.700 1.318 135 HA CYS 40 HA CYS 40 -0.216 -11.207 0.158 136 HG CYS 40 HG CYS 40 -2.595 -8.949 -0.321 137 HB2 CYS 40 2HB CYS 40 -0.114 -8.198 -0.091 138 HB3 CYS 40 3HB CYS 40 0.562 -9.391 -1.227 139 H SER 41 H SER 41 2.232 -9.624 -0.165 140 HA SER 41 HA SER 41 3.608 -9.760 2.460 141 HG SER 41 HG SER 41 3.638 -12.240 2.411 142 HB2 SER 41 2HB SER 41 4.581 -11.175 -0.060 143 HB3 SER 41 3HB SER 41 5.432 -11.095 1.491 144 H TRP 42 H TRP 42 5.687 -8.428 2.390 145 HA TRP 42 HA TRP 42 5.197 -6.079 1.019 146 HD1 TRP 42 HD1 TRP 42 9.731 -5.093 2.021 147 HE1 TRP 42 HE1 TRP 42 10.036 -2.828 0.865 148 HE3 TRP 42 HE3 TRP 42 4.846 -4.140 0.670 149 HZ2 TRP 42 HZ2 TRP 42 8.439 -1.012 -0.729 150 HZ3 TRP 42 HZ3 TRP 42 4.316 -2.226 -0.750 151 HH2 TRP 42 HH2 TRP 42 6.061 -0.681 -1.490 152 HB2 TRP 42 2HB TRP 42 6.734 -6.126 2.924 153 HB3 TRP 42 3HB TRP 42 7.933 -6.942 1.951 154 H GLN 43 H GLN 43 7.446 -8.636 -0.012 155 HA GLN 43 HA GLN 43 8.398 -7.450 -2.304 156 HB2 GLN 43 2HB GLN 43 8.556 -9.865 -3.194 157 HB3 GLN 43 3HB GLN 43 9.351 -9.517 -1.663 158 HG2 GLN 43 2HG GLN 43 7.598 -10.610 -0.384 159 HG3 GLN 43 3HG GLN 43 6.565 -10.753 -1.798 160 HE21 GLN 43 2HE2 GLN 43 6.655 -12.686 -2.938 161 HE22 GLN 43 1HE2 GLN 43 7.942 -13.862 -2.726 162 H ASP 44 H ASP 44 5.272 -8.969 -1.937 163 HA ASP 44 HA ASP 44 4.538 -9.083 -4.761 164 HB2 ASP 44 2HB ASP 44 3.648 -10.195 -2.316 165 HB3 ASP 44 3HB ASP 44 2.444 -9.071 -2.648 166 H LEU 45 H LEU 45 3.863 -7.171 -1.911 167 HA LEU 45 HA LEU 45 1.850 -5.626 -3.113 168 HG LEU 45 HG LEU 45 1.720 -6.967 -0.351 169 HB2 LEU 45 2HB LEU 45 3.575 -5.469 -0.614 170 HB3 LEU 45 3HB LEU 45 2.539 -4.130 -0.986 171 HD11 LEU 45 1HD1 LEU 45 0.779 -5.830 1.628 172 HD12 LEU 45 2HD1 LEU 45 2.452 -5.264 1.413 173 HD13 LEU 45 3HD1 LEU 45 1.148 -4.226 0.882 174 HD21 LEU 45 3HD2 LEU 45 0.029 -4.657 -1.395 175 HD22 LEU 45 1HD2 LEU 45 -0.023 -6.377 -1.835 176 HD23 LEU 45 2HD2 LEU 45 -0.671 -5.847 -0.281 177 H LYS 46 H LYS 46 5.285 -5.138 -2.488 178 HA LYS 46 HA LYS 46 5.684 -2.434 -3.382 179 HB2 LYS 46 2HB LYS 46 7.302 -3.850 -2.093 180 HB3 LYS 46 3HB LYS 46 7.490 -4.901 -3.484 181 HG2 LYS 46 2HG LYS 46 8.104 -1.964 -3.701 182 HG3 LYS 46 3HG LYS 46 9.237 -3.030 -2.893 183 HD2 LYS 46 2HD LYS 46 8.336 -3.450 -5.785 184 HD3 LYS 46 3HD LYS 46 9.762 -2.583 -5.241 185 HE2 LYS 46 2HE LYS 46 10.732 -4.594 -5.664 186 HE3 LYS 46 3HE LYS 46 10.337 -4.816 -3.959 187 HZ1 LYS 46 3HZ LYS 46 8.335 -6.090 -4.720 188 HZ2 LYS 46 1HZ LYS 46 8.759 -5.867 -6.277 189 HZ3 LYS 46 2HZ LYS 46 9.710 -6.739 -5.301 190 H ASP 47 H ASP 47 5.839 -5.609 -4.965 191 HA ASP 47 HA ASP 47 6.232 -4.645 -7.633 192 HB2 ASP 47 2HB ASP 47 5.355 -7.165 -6.225 193 HB3 ASP 47 3HB ASP 47 4.667 -6.975 -7.780 194 H LEU 48 H LEU 48 3.059 -5.782 -6.433 195 HA LEU 48 HA LEU 48 1.604 -4.717 -8.481 196 HG LEU 48 HG LEU 48 -1.379 -5.150 -6.566 197 HB2 LEU 48 2HB LEU 48 0.698 -6.072 -6.627 198 HB3 LEU 48 3HB LEU 48 0.729 -4.632 -5.594 199 HD11 LEU 48 1HD1 LEU 48 -1.577 -3.268 -5.684 200 HD12 LEU 48 2HD1 LEU 48 -0.889 -2.413 -7.084 201 HD13 LEU 48 3HD1 LEU 48 -2.425 -3.300 -7.240 202 HD21 LEU 48 3HD2 LEU 48 -2.117 -5.035 -8.772 203 HD22 LEU 48 1HD2 LEU 48 -0.494 -4.511 -9.312 204 HD23 LEU 48 2HD2 LEU 48 -0.738 -6.125 -8.637 205 H ALA 49 H ALA 49 2.459 -2.944 -5.510 206 HA ALA 49 HA ALA 49 0.960 -0.671 -6.066 207 HB1 ALA 49 1HB ALA 49 2.591 0.309 -4.384 208 HB2 ALA 49 2HB ALA 49 1.908 -1.232 -3.917 209 HB3 ALA 49 3HB ALA 49 3.581 -1.151 -4.573 210 H ARG 50 H ARG 50 4.364 -1.455 -6.901 211 HA ARG 50 HA ARG 50 4.764 0.918 -8.584 212 HE ARG 50 HE ARG 50 7.876 0.793 -4.255 213 HB2 ARG 50 2HB ARG 50 6.364 -1.613 -8.041 214 HB3 ARG 50 3HB ARG 50 6.869 -0.382 -9.201 215 HG2 ARG 50 2HG ARG 50 7.532 1.034 -7.636 216 HG3 ARG 50 3HG ARG 50 6.029 0.922 -6.744 217 HD2 ARG 50 2HD ARG 50 6.660 -0.674 -5.328 218 HD3 ARG 50 3HD ARG 50 7.993 -1.284 -6.270 219 HH11 ARG 50 2HH1 ARG 50 9.698 0.462 -7.252 220 HH12 ARG 50 1HH1 ARG 50 10.566 1.933 -6.854 221 HH21 ARG 50 1HH2 ARG 50 9.159 2.443 -3.856 222 HH22 ARG 50 2HH2 ARG 50 10.342 2.921 -5.047 223 H GLU 51 H GLU 51 3.198 -2.162 -9.147 224 HA GLU 51 HA GLU 51 3.203 -1.821 -12.083 225 HB2 GLU 51 2HB GLU 51 1.305 -3.359 -10.248 226 HB3 GLU 51 3HB GLU 51 1.191 -3.323 -11.902 227 HG2 GLU 51 2HG GLU 51 3.646 -4.404 -11.880 228 HG3 GLU 51 3HG GLU 51 3.604 -4.252 -10.217 229 H ASN 52 H ASN 52 1.519 -0.498 -9.391 230 HA ASN 52 HA ASN 52 -0.752 0.566 -10.955 231 HB2 ASN 52 2HB ASN 52 -0.187 -0.494 -8.213 232 HB3 ASN 52 3HB ASN 52 -1.302 0.682 -8.201 233 HD21 ASN 52 2HD2 ASN 52 -0.591 -2.393 -9.544 234 HD22 ASN 52 1HD2 ASN 52 -2.279 -2.853 -9.715 235 H SER 53 H SER 53 2.037 1.841 -9.443 236 HA SER 53 HA SER 53 2.889 3.882 -10.237 237 HG SER 53 HG SER 53 0.032 4.110 -11.659 238 HB2 SER 53 2HB SER 53 0.198 5.205 -9.769 239 HB3 SER 53 3HB SER 53 1.686 5.956 -10.349 240 H LEU 54 H LEU 54 1.961 2.694 -7.419 241 HA LEU 54 HA LEU 54 1.819 4.801 -5.541 242 HG LEU 54 HG LEU 54 0.601 1.632 -4.081 243 HB2 LEU 54 2HB LEU 54 2.024 1.922 -5.667 244 HB3 LEU 54 3HB LEU 54 3.054 2.432 -4.379 245 HD11 LEU 54 1HD1 LEU 54 0.364 2.865 -1.994 246 HD12 LEU 54 2HD1 LEU 54 2.016 2.335 -2.226 247 HD13 LEU 54 3HD1 LEU 54 1.588 4.043 -2.536 248 HD21 LEU 54 3HD2 LEU 54 -1.107 3.167 -4.096 249 HD22 LEU 54 1HD2 LEU 54 -0.049 4.564 -4.399 250 HD23 LEU 54 2HD2 LEU 54 -0.334 3.346 -5.670 251 H GLU 55 H GLU 55 4.797 3.298 -6.852 252 HA GLU 55 HA GLU 55 6.887 3.189 -6.132 253 HB2 GLU 55 2HB GLU 55 6.556 5.394 -7.248 254 HB3 GLU 55 3HB GLU 55 6.439 6.123 -5.650 255 HG2 GLU 55 2HG GLU 55 8.590 6.428 -6.475 256 HG3 GLU 55 3HG GLU 55 8.689 5.308 -5.102 257 H THR 56 H THR 56 5.842 5.426 -3.797 258 HA THR 56 HA THR 56 6.345 5.801 -1.583 259 HB THR 56 HB THR 56 5.688 4.163 -0.017 260 HG1 THR 56 1HG THR 56 6.223 2.383 -2.144 261 HG21 THR 56 1HG2 THR 56 3.784 4.954 -1.148 262 HG22 THR 56 2HG2 THR 56 3.991 3.777 -2.471 263 HG23 THR 56 3HG2 THR 56 3.591 3.243 -0.823 264 H THR 57 H THR 57 7.527 4.627 0.522 265 HA THR 57 HA THR 57 10.382 4.202 -0.246 266 HB THR 57 HB THR 57 9.257 4.439 2.550 267 HG1 THR 57 1HG THR 57 10.238 6.567 0.941 268 HG21 THR 57 1HG2 THR 57 11.558 3.700 2.465 269 HG22 THR 57 2HG2 THR 57 11.996 5.061 1.402 270 HG23 THR 57 3HG2 THR 57 11.469 5.362 3.080 271 H PHE 58 H PHE 58 7.845 2.825 1.934 272 HA PHE 58 HA PHE 58 8.922 0.128 1.690 273 HD1 PHE 58 HD1 PHE 58 9.103 3.539 4.458 274 HD2 PHE 58 HD2 PHE 58 9.406 -0.573 5.729 275 HE1 PHE 58 HE1 PHE 58 8.984 4.255 6.828 276 HE2 PHE 58 HE2 PHE 58 9.211 0.141 8.091 277 HZ PHE 58 HZ PHE 58 9.108 2.573 8.652 278 HB2 PHE 58 2HB PHE 58 10.069 0.005 3.589 279 HB3 PHE 58 3HB PHE 58 10.509 1.606 3.192 280 H SER 59 H SER 59 7.994 -1.366 3.393 281 HA SER 59 HA SER 59 5.444 -0.501 4.590 282 HG SER 59 HG SER 59 3.333 -1.865 3.965 283 HB2 SER 59 2HB SER 59 4.810 -1.416 2.407 284 HB3 SER 59 3HB SER 59 5.653 -2.882 2.752 285 H SER 60 H SER 60 4.561 -2.235 5.960 286 HA SER 60 HA SER 60 6.454 -4.278 7.050 287 HG SER 60 HG SER 60 5.661 -3.788 10.349 288 HB2 SER 60 2HB SER 60 5.881 -2.301 8.634 289 HB3 SER 60 3HB SER 60 4.234 -2.991 8.644 290 H VAL 61 H VAL 61 5.646 -6.257 6.585 291 HA VAL 61 HA VAL 61 2.727 -6.698 6.359 292 HB VAL 61 HB VAL 61 4.592 -7.784 4.234 293 HG11 VAL 61 1HG1 VAL 61 2.332 -8.741 4.210 294 HG12 VAL 61 2HG1 VAL 61 1.612 -7.122 4.260 295 HG13 VAL 61 3HG1 VAL 61 2.490 -7.662 2.833 296 HG21 VAL 61 3HG2 VAL 61 4.958 -5.370 4.058 297 HG22 VAL 61 1HG2 VAL 61 3.964 -5.932 2.725 298 HG23 VAL 61 2HG2 VAL 61 3.214 -5.090 4.091 299 H ASN 62 H ASN 62 2.199 -9.048 6.111 300 HA ASN 62 HA ASN 62 2.236 -11.219 6.717 301 HB2 ASN 62 2HB ASN 62 5.248 -10.978 7.015 302 HB3 ASN 62 3HB ASN 62 4.325 -12.461 6.816 303 HD21 ASN 62 2HD2 ASN 62 6.148 -10.130 5.171 304 HD22 ASN 62 1HD2 ASN 62 5.619 -10.574 3.568 305 H THR 63 H THR 63 2.501 -8.881 8.806 306 HA THR 63 HA THR 63 2.114 -10.401 11.238 307 HB THR 63 HB THR 63 4.577 -10.493 11.058 308 HG1 THR 63 1HG THR 63 4.957 -9.818 13.114 309 HG21 THR 63 1HG2 THR 63 5.062 -8.383 9.882 310 HG22 THR 63 2HG2 THR 63 4.541 -7.453 11.297 311 HG23 THR 63 3HG2 THR 63 5.964 -8.511 11.396 312 H ARG 64 H ARG 64 2.581 -8.265 13.019 313 HA ARG 64 HA ARG 64 1.916 -6.252 13.860 314 HE ARG 64 HE ARG 64 -0.021 -3.439 10.885 315 HB2 ARG 64 2HB ARG 64 3.003 -5.560 11.570 316 HB3 ARG 64 3HB ARG 64 1.348 -5.281 11.046 317 HG2 ARG 64 2HG ARG 64 1.278 -3.768 13.285 318 HG3 ARG 64 3HG ARG 64 3.023 -3.805 13.057 319 HD2 ARG 64 2HD ARG 64 2.320 -1.876 11.943 320 HD3 ARG 64 3HD ARG 64 2.566 -3.039 10.629 321 HH11 ARG 64 2HH2 ARG 64 1.413 -0.242 11.297 322 HH12 ARG 64 1HH2 ARG 64 -0.136 0.525 10.962 323 HH21 ARG 64 1HH1 ARG 64 -1.815 -2.423 10.551 324 HH22 ARG 64 2HH1 ARG 64 -1.918 -0.650 10.524 325 H ASP 65 H ASP 65 -0.325 -7.650 11.646 326 HA ASP 65 HA ASP 65 -2.600 -5.974 12.634 327 HB2 ASP 65 2HB ASP 65 -1.957 -7.390 10.036 328 HB3 ASP 65 3HB ASP 65 -3.434 -6.477 10.307 329 H PHE 66 H PHE 66 -4.700 -7.242 11.533 330 HA PHE 66 HA PHE 66 -5.620 -9.210 13.254 331 HD1 PHE 66 HD2 PHE 66 -5.405 -7.631 9.234 332 HD2 PHE 66 HD1 PHE 66 -7.807 -11.055 10.294 333 HE1 PHE 66 HE2 PHE 66 -5.363 -8.412 6.874 334 HE2 PHE 66 HE1 PHE 66 -7.795 -11.793 7.922 335 HZ PHE 66 HZ PHE 66 -6.587 -10.454 6.207 336 HB2 PHE 66 2HB PHE 66 -7.459 -9.330 11.886 337 HB3 PHE 66 3HB PHE 66 -6.821 -7.768 11.424 338 H ASP 67 H ASP 67 -3.599 -9.646 10.422 339 HA ASP 67 HA ASP 67 -2.603 -12.182 11.335 340 HB2 ASP 67 2HB ASP 67 -4.598 -13.099 10.188 341 HB3 ASP 67 3HB ASP 67 -4.239 -12.145 8.746 342 H GLY 68 H GLY 68 -3.128 -10.038 8.556 343 HA2 GLY 68 2HA GLY 68 -0.620 -8.760 8.686 344 HA3 GLY 68 3HA GLY 68 -0.597 -9.967 7.390 345 H THR 69 H THR 69 -0.755 -6.970 7.544 346 HA THR 69 HA THR 69 -2.438 -6.728 5.073 347 HB THR 69 HB THR 69 -3.257 -4.645 5.570 348 HG1 THR 69 1HG THR 69 -1.613 -4.631 7.885 349 HG21 THR 69 1HG2 THR 69 -4.579 -6.307 6.717 350 HG22 THR 69 2HG2 THR 69 -3.579 -6.171 8.158 351 HG23 THR 69 3HG2 THR 69 -4.555 -4.787 7.633 352 H GLY 70 H GLY 70 -1.609 -5.015 3.700 353 HA2 GLY 70 2HA GLY 70 1.260 -4.560 3.603 354 HA3 GLY 70 3HA GLY 70 -0.015 -3.889 2.564 355 H ALA 71 H ALA 71 1.648 -3.391 5.706 356 HA ALA 71 HA ALA 71 0.302 -0.792 5.812 357 HB1 ALA 71 1HB ALA 71 1.067 -0.638 8.074 358 HB2 ALA 71 2HB ALA 71 0.464 -2.273 7.820 359 HB3 ALA 71 3HB ALA 71 2.216 -1.983 7.841 360 H LEU 72 H LEU 72 1.123 0.437 4.197 361 HA LEU 72 HA LEU 72 4.012 0.610 3.482 362 HG LEU 72 HG LEU 72 2.176 0.863 0.231 363 HB2 LEU 72 2HB LEU 72 1.432 1.427 2.353 364 HB3 LEU 72 3HB LEU 72 2.741 2.387 1.916 365 HD11 LEU 72 1HD1 LEU 72 4.473 1.644 0.594 366 HD12 LEU 72 2HD1 LEU 72 4.886 0.058 1.171 367 HD13 LEU 72 3HD1 LEU 72 4.245 0.258 -0.468 368 HD21 LEU 72 3HD2 LEU 72 2.380 -1.515 0.270 369 HD22 LEU 72 1HD2 LEU 72 2.713 -1.468 2.005 370 HD23 LEU 72 2HD2 LEU 72 1.158 -0.921 1.405 371 H GLU 73 H GLU 73 5.042 2.612 3.298 372 HA GLU 73 HA GLU 73 3.880 5.051 4.671 373 HB2 GLU 73 2HB GLU 73 4.972 4.045 6.385 374 HB3 GLU 73 3HB GLU 73 6.415 3.644 5.471 375 HG2 GLU 73 2HG GLU 73 7.318 5.760 5.640 376 HG3 GLU 73 3HG GLU 73 5.773 6.569 5.760 377 H PHE 74 H PHE 74 4.625 7.062 3.935 378 HA PHE 74 HA PHE 74 7.055 7.255 2.331 379 HD1 PHE 74 HD2 PHE 74 7.553 6.747 0.140 380 HD2 PHE 74 HD1 PHE 74 5.512 10.490 -0.061 381 HE1 PHE 74 HE2 PHE 74 9.284 7.575 -1.446 382 HE2 PHE 74 HE1 PHE 74 7.275 11.382 -1.563 383 HZ PHE 74 HZ PHE 74 9.156 9.921 -2.279 384 HB2 PHE 74 2HB PHE 74 4.776 7.214 0.787 385 HB3 PHE 74 3HB PHE 74 4.717 8.845 1.322 386 HA PRO 75 HA PRO 75 7.293 11.184 4.559 387 HB2 PRO 75 2HB PRO 75 8.924 12.092 2.188 388 HB3 PRO 75 3HB PRO 75 9.271 12.278 3.929 389 HG2 PRO 75 2HG PRO 75 10.512 10.347 2.520 390 HG3 PRO 75 3HG PRO 75 9.825 9.947 4.130 391 HD2 PRO 75 2HD PRO 75 8.594 9.504 1.404 392 HD3 PRO 75 3HD PRO 75 8.766 8.351 2.762 393 H SER 76 H SER 76 5.354 11.039 1.761 394 HA SER 76 HA SER 76 4.549 13.939 1.920 395 HG SER 76 HG SER 76 6.950 14.049 0.783 396 HB2 SER 76 2HB SER 76 4.983 12.566 -0.657 397 HB3 SER 76 3HB SER 76 4.912 14.298 -0.321 398 H GLU 77 H GLU 77 2.446 13.865 2.345 399 HA GLU 77 HA GLU 77 0.822 11.611 2.117 400 HB2 GLU 77 2HB GLU 77 -1.086 13.083 2.561 401 HB3 GLU 77 3HB GLU 77 0.277 13.348 3.632 402 HG2 GLU 77 2HG GLU 77 0.921 15.310 2.047 403 HG3 GLU 77 3HG GLU 77 -0.686 15.095 1.329 404 H GLU 78 H GLU 78 1.614 13.788 -0.440 405 HA GLU 78 HA GLU 78 -0.461 13.380 -2.320 406 HB2 GLU 78 2HB GLU 78 2.524 13.312 -2.903 407 HB3 GLU 78 3HB GLU 78 1.210 13.727 -4.003 408 HG2 GLU 78 2HG GLU 78 1.694 15.873 -3.468 409 HG3 GLU 78 3HG GLU 78 0.761 15.554 -1.994 410 H ILE 79 H ILE 79 2.165 11.135 -1.440 411 HA ILE 79 HA ILE 79 1.404 9.123 -3.385 412 HB ILE 79 HB ILE 79 3.211 8.940 -0.948 413 HG12 ILE 79 2HG1 ILE 79 3.543 10.203 -3.578 414 HG13 ILE 79 3HG1 ILE 79 4.345 10.510 -2.104 415 HG21 ILE 79 1HG2 ILE 79 4.184 6.964 -2.068 416 HG22 ILE 79 2HG2 ILE 79 2.480 6.718 -1.749 417 HG23 ILE 79 3HG2 ILE 79 2.990 7.154 -3.387 418 HD11 ILE 79 3HD1 ILE 79 4.975 8.383 -4.209 419 HD12 ILE 79 1HD1 ILE 79 5.946 9.797 -3.784 420 HD13 ILE 79 2HD1 ILE 79 5.811 8.438 -2.651 421 H LEU 80 H LEU 80 0.690 9.701 -0.000 422 HA LEU 80 HA LEU 80 -0.601 7.261 0.620 423 HG LEU 80 HG LEU 80 -2.807 9.884 1.950 424 HB2 LEU 80 2HB LEU 80 -0.180 8.402 2.489 425 HB3 LEU 80 3HB LEU 80 -0.310 9.955 1.769 426 HD11 LEU 80 1HD1 LEU 80 -3.863 8.337 3.389 427 HD12 LEU 80 2HD1 LEU 80 -2.938 7.348 2.254 428 HD13 LEU 80 3HD1 LEU 80 -2.311 7.638 3.908 429 HD21 LEU 80 3HD2 LEU 80 -1.445 11.070 3.615 430 HD22 LEU 80 1HD2 LEU 80 -2.865 10.298 4.349 431 HD23 LEU 80 2HD2 LEU 80 -1.259 9.562 4.540 432 H VAL 81 H VAL 81 -1.848 10.387 -0.581 433 HA VAL 81 HA VAL 81 -4.643 9.563 -0.682 434 HB VAL 81 HB VAL 81 -3.107 11.948 -1.847 435 HG11 VAL 81 1HG1 VAL 81 -6.130 11.534 -1.772 436 HG12 VAL 81 2HG1 VAL 81 -5.318 13.070 -2.142 437 HG13 VAL 81 3HG1 VAL 81 -5.120 11.693 -3.222 438 HG21 VAL 81 3HG2 VAL 81 -5.040 11.744 0.498 439 HG22 VAL 81 1HG2 VAL 81 -3.275 11.886 0.628 440 HG23 VAL 81 2HG2 VAL 81 -4.209 13.221 -0.045 441 H GLU 82 H GLU 82 -1.996 9.712 -3.009 442 HA GLU 82 HA GLU 82 -3.279 8.977 -5.352 443 HB2 GLU 82 2HB GLU 82 -0.670 8.837 -3.969 444 HB3 GLU 82 3HB GLU 82 -0.883 7.508 -4.943 445 HG2 GLU 82 2HG GLU 82 -1.052 10.433 -5.711 446 HG3 GLU 82 3HG GLU 82 0.374 9.419 -5.956 447 H ALA 83 H ALA 83 -1.702 6.683 -3.035 448 HA ALA 83 HA ALA 83 -2.929 4.269 -3.933 449 HB1 ALA 83 1HB ALA 83 -2.333 4.928 -1.012 450 HB2 ALA 83 2HB ALA 83 -2.227 3.359 -1.839 451 HB3 ALA 83 3HB ALA 83 -1.055 4.653 -2.195 452 H LEU 84 H LEU 84 -4.290 6.530 -1.567 453 HA LEU 84 HA LEU 84 -6.540 4.823 -0.859 454 HG LEU 84 HG LEU 84 -4.897 7.547 1.019 455 HB2 LEU 84 2HB LEU 84 -6.356 7.859 -0.609 456 HB3 LEU 84 3HB LEU 84 -7.583 6.873 0.053 457 HD11 LEU 84 1HD1 LEU 84 -5.973 7.299 3.165 458 HD12 LEU 84 2HD1 LEU 84 -6.973 8.251 2.063 459 HD13 LEU 84 3HD1 LEU 84 -7.399 6.555 2.394 460 HD21 LEU 84 3HD2 LEU 84 -4.380 5.229 0.622 461 HD22 LEU 84 1HD2 LEU 84 -4.649 5.464 2.356 462 HD23 LEU 84 2HD2 LEU 84 -5.932 4.725 1.308 463 H GLU 85 H GLU 85 -5.965 7.049 -3.505 464 HA GLU 85 HA GLU 85 -8.691 6.481 -4.443 465 HB2 GLU 85 2HB GLU 85 -6.629 8.558 -5.286 466 HB3 GLU 85 3HB GLU 85 -8.156 8.313 -6.141 467 HG2 GLU 85 2HG GLU 85 -9.424 8.808 -4.069 468 HG3 GLU 85 3HG GLU 85 -7.914 9.100 -3.211 469 H ARG 86 H ARG 86 -5.632 5.154 -4.924 470 HA ARG 86 HA ARG 86 -6.071 4.386 -7.778 471 HE ARG 86 HE ARG 86 -2.666 7.867 -8.842 472 HB2 ARG 86 2HB ARG 86 -3.694 5.016 -6.054 473 HB3 ARG 86 3HB ARG 86 -3.495 3.643 -6.887 474 HG2 ARG 86 2HG ARG 86 -2.580 5.342 -8.211 475 HG3 ARG 86 3HG ARG 86 -4.049 4.856 -9.080 476 HD2 ARG 86 2HD ARG 86 -5.348 6.705 -8.165 477 HD3 ARG 86 3HD ARG 86 -4.051 7.128 -7.056 478 HH11 ARG 86 2HH1 ARG 86 -6.101 7.842 -9.609 479 HH12 ARG 86 1HH1 ARG 86 -6.015 9.409 -10.376 480 HH21 ARG 86 1HH2 ARG 86 -2.713 9.875 -9.555 481 HH22 ARG 86 2HH2 ARG 86 -4.079 10.504 -10.459 482 H LEU 87 H LEU 87 -5.692 3.079 -4.545 483 HA LEU 87 HA LEU 87 -5.819 0.325 -5.564 484 HG LEU 87 HG LEU 87 -3.820 -0.231 -5.746 485 HB2 LEU 87 2HB LEU 87 -4.031 1.749 -3.553 486 HB3 LEU 87 3HB LEU 87 -4.481 0.096 -3.279 487 HD11 LEU 87 1HD1 LEU 87 -1.616 1.211 -6.073 488 HD12 LEU 87 2HD1 LEU 87 -3.205 1.457 -6.824 489 HD13 LEU 87 3HD1 LEU 87 -2.735 2.380 -5.356 490 HD21 LEU 87 3HD2 LEU 87 -1.573 0.089 -3.744 491 HD22 LEU 87 1HD2 LEU 87 -2.639 -1.328 -3.837 492 HD23 LEU 87 2HD2 LEU 87 -1.582 -0.944 -5.204 493 H ASN 88 H ASN 88 -7.882 2.436 -4.045 494 HA ASN 88 HA ASN 88 -8.537 0.669 -1.847 495 HB2 ASN 88 2HB ASN 88 -8.779 3.121 -1.671 496 HB3 ASN 88 3HB ASN 88 -10.179 3.027 -2.754 497 HD21 ASN 88 1HD2 ASN 88 -11.836 3.450 -1.243 498 HD22 ASN 88 2HD2 ASN 88 -12.090 2.474 0.195 499 H ASN 89 H ASN 89 -9.220 -1.241 -2.321 500 HA ASN 89 HA ASN 89 -10.478 -2.969 -2.793 501 HB2 ASN 89 2HB ASN 89 -12.302 -1.472 -1.849 502 HB3 ASN 89 3HB ASN 89 -12.875 -1.310 -3.519 503 HD21 ASN 89 1HD2 ASN 89 -11.987 -3.711 -0.975 504 HD22 ASN 89 2HD2 ASN 89 -13.110 -4.935 -1.549 505 H ILE 90 H ILE 90 -8.674 -2.579 -4.401 506 HA ILE 90 HA ILE 90 -9.607 -2.735 -7.245 507 HB ILE 90 HB ILE 90 -7.249 -2.461 -7.884 508 HG12 ILE 90 2HG1 ILE 90 -6.271 -1.703 -5.185 509 HG13 ILE 90 3HG1 ILE 90 -6.468 -3.401 -5.430 510 HG21 ILE 90 1HG2 ILE 90 -8.721 -0.527 -7.679 511 HG22 ILE 90 2HG2 ILE 90 -8.157 -0.260 -6.024 512 HG23 ILE 90 3HG2 ILE 90 -7.022 -0.155 -7.400 513 HD11 ILE 90 3HD1 ILE 90 -4.860 -1.662 -7.298 514 HD12 ILE 90 1HD1 ILE 90 -4.226 -2.672 -5.974 515 HD13 ILE 90 2HD1 ILE 90 -5.037 -3.438 -7.351 516 H GLU 91 H GLU 91 -8.872 -4.490 -8.520 517 HA GLU 91 HA GLU 91 -8.493 -6.955 -7.004 518 HB2 GLU 91 2HB GLU 91 -9.612 -6.449 -9.439 519 HB3 GLU 91 3HB GLU 91 -7.987 -7.002 -9.871 520 HG2 GLU 91 2HG GLU 91 -8.249 -9.041 -8.667 521 HG3 GLU 91 3HG GLU 91 -9.813 -8.562 -8.040 522 H PHE 92 H PHE 92 -6.637 -7.376 -6.146 523 HA PHE 92 HA PHE 92 -4.002 -6.381 -6.898 524 HD1 PHE 92 HD2 PHE 92 -2.523 -5.726 -4.683 525 HD2 PHE 92 HD1 PHE 92 -2.725 -9.963 -5.280 526 HE1 PHE 92 HE2 PHE 92 -0.110 -5.926 -4.086 527 HE2 PHE 92 HE1 PHE 92 -0.303 -10.164 -4.755 528 HZ PHE 92 HZ PHE 92 0.997 -8.129 -4.175 529 HB2 PHE 92 2HB PHE 92 -4.690 -6.932 -4.568 530 HB3 PHE 92 3HB PHE 92 -4.811 -8.584 -4.978 531 H ARG 93 H ARG 93 -4.326 -7.043 -9.025 532 HA ARG 93 HA ARG 93 -4.064 -8.104 -10.871 533 HE ARG 93 HE ARG 93 1.469 -7.876 -9.946 534 HB2 ARG 93 2HB ARG 93 -2.576 -10.384 -9.543 535 HB3 ARG 93 3HB ARG 93 -2.518 -9.900 -11.237 536 HG2 ARG 93 2HG ARG 93 -1.533 -7.678 -10.482 537 HG3 ARG 93 3HG ARG 93 -1.473 -8.359 -8.844 538 HD2 ARG 93 2HD ARG 93 -0.171 -10.344 -9.978 539 HD3 ARG 93 3HD ARG 93 0.067 -9.201 -11.301 540 HH11 ARG 93 1HH2 ARG 93 0.133 -10.440 -7.897 541 HH12 ARG 93 2HH2 ARG 93 1.319 -10.069 -6.645 542 HH21 ARG 93 1HH1 ARG 93 2.736 -7.486 -8.338 543 HH22 ARG 93 2HH1 ARG 93 2.620 -8.377 -6.793 544 H GLY 94 H GLY 94 -4.879 -10.443 -8.398 545 HA2 GLY 94 2HA GLY 94 -7.384 -11.331 -9.629 546 HA3 GLY 94 3HA GLY 94 -6.178 -12.580 -9.325 547 H SER 95 H SER 95 -5.494 -10.655 -6.716 548 HA SER 95 HA SER 95 -7.566 -11.787 -4.902 549 HG SER 95 HG SER 95 -6.185 -12.245 -2.801 550 HB2 SER 95 2HB SER 95 -4.756 -10.637 -4.604 551 HB3 SER 95 3HB SER 95 -5.903 -10.234 -3.375 552 H VAL 96 H VAL 96 -7.801 -9.616 -3.255 553 HA VAL 96 HA VAL 96 -7.851 -7.192 -4.865 554 HB VAL 96 HB VAL 96 -9.894 -6.760 -5.227 555 HG11 VAL 96 1HG1 VAL 96 -11.708 -8.268 -5.076 556 HG12 VAL 96 2HG1 VAL 96 -10.250 -8.999 -5.736 557 HG13 VAL 96 3HG1 VAL 96 -10.738 -9.357 -4.044 558 HG21 VAL 96 3HG2 VAL 96 -11.680 -6.437 -3.686 559 HG22 VAL 96 1HG2 VAL 96 -10.714 -7.156 -2.388 560 HG23 VAL 96 2HG2 VAL 96 -10.209 -5.635 -3.167 561 H ILE 97 H ILE 97 -7.762 -5.238 -3.608 562 HA ILE 97 HA ILE 97 -7.388 -5.591 -0.685 563 HB ILE 97 HB ILE 97 -5.420 -3.983 -0.890 564 HG12 ILE 97 2HG1 ILE 97 -5.209 -5.147 -3.649 565 HG13 ILE 97 3HG1 ILE 97 -5.646 -3.476 -3.280 566 HG21 ILE 97 1HG2 ILE 97 -3.830 -5.741 -0.788 567 HG22 ILE 97 2HG2 ILE 97 -5.331 -6.377 -0.126 568 HG23 ILE 97 3HG2 ILE 97 -4.849 -6.832 -1.784 569 HD11 ILE 97 3HD1 ILE 97 -3.300 -3.595 -3.912 570 HD12 ILE 97 1HD1 ILE 97 -3.464 -3.093 -2.215 571 HD13 ILE 97 2HD1 ILE 97 -2.964 -4.753 -2.620 572 H THR 98 H THR 98 -7.890 -3.971 0.492 573 HA THR 98 HA THR 98 -9.204 -1.472 -0.543 574 HB THR 98 HB THR 98 -9.437 -2.998 2.048 575 HG1 THR 98 1HG THR 98 -11.388 -3.741 1.298 576 HG21 THR 98 1HG2 THR 98 -10.031 -0.595 2.262 577 HG22 THR 98 2HG2 THR 98 -11.283 -0.843 1.009 578 HG23 THR 98 3HG2 THR 98 -11.378 -1.707 2.563 579 H VAL 99 H VAL 99 -8.381 0.459 0.386 580 HA VAL 99 HA VAL 99 -6.004 0.125 2.117 581 HB VAL 99 HB VAL 99 -4.519 1.354 0.791 582 HG11 VAL 99 1HG1 VAL 99 -4.831 -1.093 0.335 583 HG12 VAL 99 2HG1 VAL 99 -5.843 -0.689 -1.034 584 HG13 VAL 99 3HG1 VAL 99 -4.144 -0.184 -1.016 585 HG21 VAL 99 3HG2 VAL 99 -5.880 2.944 -0.285 586 HG22 VAL 99 1HG2 VAL 99 -5.186 1.949 -1.569 587 HG23 VAL 99 2HG2 VAL 99 -6.871 1.690 -1.045 588 H GLU 100 H GLU 100 -5.462 1.741 3.396 589 HA GLU 100 HA GLU 100 -6.878 4.368 3.336 590 HB2 GLU 100 2HB GLU 100 -7.941 3.950 5.542 591 HB3 GLU 100 3HB GLU 100 -8.582 2.818 4.364 592 HG2 GLU 100 2HG GLU 100 -7.163 1.024 5.281 593 HG3 GLU 100 3HG GLU 100 -6.411 2.145 6.409 594 H ARG 101 H ARG 101 -6.197 5.842 4.890 595 HA ARG 101 HA ARG 101 -3.496 5.615 5.879 596 HE ARG 101 HE ARG 101 -7.583 7.948 9.035 597 HB2 ARG 101 2HB ARG 101 -3.758 7.713 6.714 598 HB3 ARG 101 3HB ARG 101 -4.836 7.752 5.332 599 HG2 ARG 101 2HG ARG 101 -5.492 7.493 8.243 600 HG3 ARG 101 3HG ARG 101 -5.709 8.943 7.267 601 HD2 ARG 101 2HD ARG 101 -7.717 8.317 6.456 602 HD3 ARG 101 3HD ARG 101 -7.299 6.591 6.402 603 HH11 ARG 101 2HH2 ARG 101 -9.128 5.597 7.011 604 HH12 ARG 101 1HH2 ARG 101 -8.942 4.305 8.164 605 HH21 ARG 101 1HH1 ARG 101 -7.465 6.408 10.512 606 HH22 ARG 101 2HH1 ARG 101 -8.332 4.886 10.292 607 H ASP 102 H ASP 102 -2.712 5.048 7.811 608 HA ASP 102 HA ASP 102 -4.489 3.444 9.611 609 HB2 ASP 102 2HB ASP 102 -3.061 2.199 8.136 610 HB3 ASP 102 3HB ASP 102 -1.644 3.117 8.618 611 H ASP 103 H ASP 103 -1.871 5.831 9.612 612 HA ASP 103 HA ASP 103 -2.052 6.001 12.587 613 HB2 ASP 103 2HB ASP 103 0.108 6.964 12.617 614 HB3 ASP 103 3HB ASP 103 0.182 5.464 11.712 615 H ASN 104 H ASN 104 -3.779 7.110 10.355 616 HA ASN 104 HA ASN 104 -4.210 9.806 11.428 617 HB2 ASN 104 2HB ASN 104 -2.573 9.858 9.455 618 HB3 ASN 104 3HB ASN 104 -3.904 9.392 8.434 619 HD21 ASN 104 2HD2 ASN 104 -5.968 11.004 9.275 620 HD22 ASN 104 1HD2 ASN 104 -5.509 12.697 9.008 Start of MODEL 13 1 HA PRO 25 HA PRO 25 10.746 14.877 7.103 2 HB2 PRO 25 2HB PRO 25 10.039 13.983 4.272 3 HB3 PRO 25 3HB PRO 25 11.539 14.791 4.833 4 HG2 PRO 25 2HG PRO 25 11.112 11.997 4.667 5 HG3 PRO 25 3HG PRO 25 12.362 12.765 5.682 6 HD2 PRO 25 2HD PRO 25 10.143 11.287 6.656 7 HD3 PRO 25 3HD PRO 25 11.217 12.352 7.585 8 H ALA 26 H ALA 26 9.360 15.953 4.248 9 HA ALA 26 HA ALA 26 7.775 18.071 5.212 10 HB1 ALA 26 1HB ALA 26 8.630 17.850 2.893 11 HB2 ALA 26 2HB ALA 26 7.545 16.467 2.620 12 HB3 ALA 26 3HB ALA 26 6.869 18.084 2.900 13 H LYS 27 H LYS 27 6.916 14.794 4.414 14 HA LYS 27 HA LYS 27 4.679 14.720 6.332 15 HB2 LYS 27 2HB LYS 27 4.419 14.327 3.376 16 HB3 LYS 27 3HB LYS 27 3.930 12.915 4.257 17 HG2 LYS 27 2HG LYS 27 2.828 15.707 4.751 18 HG3 LYS 27 3HG LYS 27 2.105 14.447 3.754 19 HD2 LYS 27 2HD LYS 27 2.250 12.988 5.963 20 HD3 LYS 27 3HD LYS 27 2.343 14.553 6.770 21 HE2 LYS 27 2HE LYS 27 0.160 13.623 4.846 22 HE3 LYS 27 3HE LYS 27 0.024 13.623 6.597 23 HZ1 LYS 27 3HZ LYS 27 -0.987 15.596 5.554 24 HZ2 LYS 27 1HZ LYS 27 0.183 16.023 6.607 25 HZ3 LYS 27 2HZ LYS 27 0.435 16.087 4.973 26 H ARG 28 H ARG 28 4.301 12.444 6.914 27 HA ARG 28 HA ARG 28 5.915 10.306 5.861 28 HE ARG 28 HE ARG 28 6.969 8.206 9.645 29 HB2 ARG 28 2HB ARG 28 7.013 9.547 7.814 30 HB3 ARG 28 3HB ARG 28 7.647 11.091 7.352 31 HG2 ARG 28 2HG ARG 28 6.943 12.174 9.242 32 HG3 ARG 28 3HG ARG 28 5.478 11.214 9.430 33 HD2 ARG 28 2HD ARG 28 8.288 10.164 9.849 34 HD3 ARG 28 3HD ARG 28 7.262 10.751 11.172 35 HH11 ARG 28 1HH1 ARG 28 5.242 10.335 11.903 36 HH12 ARG 28 2HH1 ARG 28 3.969 9.123 12.080 37 HH21 ARG 28 2HH2 ARG 28 5.218 6.859 9.964 38 HH22 ARG 28 1HH2 ARG 28 3.998 7.346 11.145 39 H TYR 29 H TYR 29 3.471 10.603 5.531 40 HA TYR 29 HA TYR 29 1.578 9.904 7.535 41 HD1 TYR 29 HD2 TYR 29 0.256 7.409 4.799 42 HD2 TYR 29 HD1 TYR 29 2.404 10.804 3.191 43 HE1 TYR 29 HE2 TYR 29 0.759 6.111 2.750 44 HE2 TYR 29 HE1 TYR 29 2.681 9.612 1.109 45 HH TYR 29 HH TYR 29 1.601 6.165 0.672 46 HB2 TYR 29 2HB TYR 29 0.061 9.756 5.693 47 HB3 TYR 29 3HB TYR 29 1.188 10.998 5.262 48 H ARG 30 H ARG 30 0.197 7.854 7.432 49 HA ARG 30 HA ARG 30 1.643 5.464 6.516 50 HE ARG 30 HE ARG 30 4.077 4.392 8.529 51 HB2 ARG 30 2HB ARG 30 2.555 5.704 8.776 52 HB3 ARG 30 3HB ARG 30 0.933 5.809 9.396 53 HG2 ARG 30 2HG ARG 30 1.645 3.638 9.917 54 HG3 ARG 30 3HG ARG 30 0.457 3.471 8.634 55 HD2 ARG 30 2HD ARG 30 2.303 1.997 8.241 56 HD3 ARG 30 3HD ARG 30 2.296 3.226 6.988 57 HH11 ARG 30 1HH2 ARG 30 4.038 1.000 7.771 58 HH12 ARG 30 2HH2 ARG 30 5.539 0.688 8.618 59 HH21 ARG 30 1HH1 ARG 30 6.018 4.078 9.212 60 HH22 ARG 30 2HH1 ARG 30 6.730 2.464 9.316 61 H ILE 31 H ILE 31 0.189 4.694 5.224 62 HA ILE 31 HA ILE 31 -2.661 4.522 6.064 63 HB ILE 31 HB ILE 31 -3.164 3.632 3.860 64 HG12 ILE 31 2HG1 ILE 31 -0.246 4.000 3.132 65 HG13 ILE 31 3HG1 ILE 31 -1.009 2.435 3.467 66 HG21 ILE 31 1HG2 ILE 31 -3.143 6.063 4.220 67 HG22 ILE 31 2HG2 ILE 31 -1.476 6.140 3.625 68 HG23 ILE 31 3HG2 ILE 31 -2.786 5.629 2.548 69 HD11 ILE 31 3HD1 ILE 31 -1.654 4.290 1.161 70 HD12 ILE 31 1HD1 ILE 31 -0.922 2.683 1.104 71 HD13 ILE 31 2HD1 ILE 31 -2.620 2.855 1.603 72 H THR 32 H THR 32 -3.740 2.639 5.947 73 HA THR 32 HA THR 32 -2.270 0.064 6.401 74 HB THR 32 HB THR 32 -4.969 1.087 7.383 75 HG1 THR 32 1HG THR 32 -3.980 1.099 9.360 76 HG21 THR 32 1HG2 THR 32 -5.258 -1.288 7.003 77 HG22 THR 32 2HG2 THR 32 -3.692 -1.679 7.734 78 HG23 THR 32 3HG2 THR 32 -5.032 -1.075 8.739 79 H MET 33 H MET 33 -2.946 -1.670 5.301 80 HA MET 33 HA MET 33 -5.139 -1.428 3.379 81 HB2 MET 33 2HB MET 33 -2.397 -2.596 2.656 82 HB3 MET 33 3HB MET 33 -3.746 -2.294 1.579 83 HG2 MET 33 2HG MET 33 -3.331 0.234 2.466 84 HG3 MET 33 3HG MET 33 -1.747 -0.461 2.783 85 HE1 MET 33 3HE MET 33 -2.319 -2.363 -0.218 86 HE2 MET 33 1HE MET 33 -1.053 -1.509 -1.130 87 HE3 MET 33 2HE MET 33 -0.739 -2.029 0.540 88 H LYS 34 H LYS 34 -6.420 -3.130 3.401 89 HA LYS 34 HA LYS 34 -5.558 -5.899 3.933 90 HB2 LYS 34 2HB LYS 34 -7.671 -5.686 5.815 91 HB3 LYS 34 3HB LYS 34 -6.134 -5.998 6.032 92 HG2 LYS 34 2HG LYS 34 -6.874 -4.292 7.588 93 HG3 LYS 34 3HG LYS 34 -5.921 -3.338 6.431 94 HD2 LYS 34 2HD LYS 34 -8.034 -2.864 5.150 95 HD3 LYS 34 3HD LYS 34 -8.937 -3.892 6.259 96 HE2 LYS 34 2HE LYS 34 -8.472 -2.393 8.135 97 HE3 LYS 34 3HE LYS 34 -7.514 -1.337 7.077 98 HZ1 LYS 34 3HZ LYS 34 -10.398 -1.927 6.622 99 HZ2 LYS 34 1HZ LYS 34 -9.819 -0.548 7.317 100 HZ3 LYS 34 2HZ LYS 34 -9.446 -0.834 5.807 101 H ASN 35 H ASN 35 -7.373 -7.417 3.954 102 HA ASN 35 HA ASN 35 -9.766 -6.316 4.468 103 HB2 ASN 35 2HB ASN 35 -10.281 -5.457 2.515 104 HB3 ASN 35 3HB ASN 35 -9.377 -6.573 1.547 105 HD21 ASN 35 2HD2 ASN 35 -10.592 -7.634 0.168 106 HD22 ASN 35 1HD2 ASN 35 -12.267 -8.133 0.408 107 H LEU 36 H LEU 36 -8.827 -9.287 2.714 108 HA LEU 36 HA LEU 36 -9.108 -11.038 4.764 109 HG LEU 36 HG LEU 36 -10.675 -12.957 5.316 110 HB2 LEU 36 2HB LEU 36 -11.769 -10.297 4.299 111 HB3 LEU 36 3HB LEU 36 -11.601 -11.718 3.301 112 HD11 LEU 36 1HD1 LEU 36 -11.735 -10.520 6.818 113 HD12 LEU 36 2HD1 LEU 36 -11.201 -12.050 7.550 114 HD13 LEU 36 3HD1 LEU 36 -10.035 -11.006 6.730 115 HD21 LEU 36 3HD2 LEU 36 -13.005 -13.195 4.558 116 HD22 LEU 36 1HD2 LEU 36 -12.909 -13.263 6.327 117 HD23 LEU 36 2HD2 LEU 36 -13.480 -11.780 5.527 118 HA PRO 37 HA PRO 37 -9.489 -13.526 0.624 119 HB2 PRO 37 2HB PRO 37 -9.096 -11.284 -1.347 120 HB3 PRO 37 3HB PRO 37 -10.057 -12.789 -1.544 121 HG2 PRO 37 2HG PRO 37 -11.323 -10.487 -0.994 122 HG3 PRO 37 3HG PRO 37 -11.745 -11.939 -0.023 123 HD2 PRO 37 2HD PRO 37 -9.756 -9.746 0.664 124 HD3 PRO 37 3HD PRO 37 -11.134 -10.343 1.626 125 H GLU 38 H GLU 38 -7.028 -11.230 1.399 126 HA GLU 38 HA GLU 38 -5.014 -12.800 -0.075 127 HB2 GLU 38 2HB GLU 38 -3.701 -10.586 0.065 128 HB3 GLU 38 3HB GLU 38 -4.950 -10.780 -1.140 129 HG2 GLU 38 2HG GLU 38 -4.779 -8.542 0.038 130 HG3 GLU 38 3HG GLU 38 -6.379 -9.248 -0.185 131 H GLY 39 H GLY 39 -5.454 -11.455 3.065 132 HA2 GLY 39 2HA GLY 39 -4.107 -11.468 4.763 133 HA3 GLY 39 3HA GLY 39 -3.666 -13.157 4.432 134 H CYS 40 H CYS 40 -3.046 -9.996 2.854 135 HA CYS 40 HA CYS 40 -0.752 -10.775 1.506 136 HG CYS 40 HG CYS 40 -3.144 -8.073 2.991 137 HB2 CYS 40 2HB CYS 40 -0.503 -8.376 1.006 138 HB3 CYS 40 3HB CYS 40 -2.159 -8.953 0.820 139 H SER 41 H SER 41 1.439 -10.444 1.596 140 HA SER 41 HA SER 41 2.712 -9.492 4.124 141 HG SER 41 HG SER 41 3.205 -11.851 4.527 142 HB2 SER 41 2HB SER 41 3.814 -11.142 1.825 143 HB3 SER 41 3HB SER 41 4.705 -10.674 3.274 144 H TRP 42 H TRP 42 4.951 -8.312 3.592 145 HA TRP 42 HA TRP 42 4.347 -6.054 2.029 146 HD1 TRP 42 HD1 TRP 42 8.974 -5.186 2.721 147 HE1 TRP 42 HE1 TRP 42 9.310 -2.965 1.496 148 HE3 TRP 42 HE3 TRP 42 4.102 -4.197 1.375 149 HZ2 TRP 42 HZ2 TRP 42 7.751 -1.235 -0.209 150 HZ3 TRP 42 HZ3 TRP 42 3.604 -2.381 -0.178 151 HH2 TRP 42 HH2 TRP 42 5.384 -0.920 -1.017 152 HB2 TRP 42 2HB TRP 42 6.071 -6.064 3.785 153 HB3 TRP 42 3HB TRP 42 7.117 -7.007 2.772 154 H GLN 43 H GLN 43 5.809 -9.096 0.975 155 HA GLN 43 HA GLN 43 6.622 -7.965 -1.513 156 HB2 GLN 43 2HB GLN 43 5.875 -10.889 -1.185 157 HB3 GLN 43 3HB GLN 43 7.084 -10.210 -2.275 158 HG2 GLN 43 2HG GLN 43 7.276 -10.410 0.756 159 HG3 GLN 43 3HG GLN 43 8.023 -11.485 -0.401 160 HE21 GLN 43 2HE2 GLN 43 10.240 -11.078 0.073 161 HE22 GLN 43 1HE2 GLN 43 10.960 -9.491 -0.159 162 H ASP 44 H ASP 44 3.613 -9.114 -0.397 163 HA ASP 44 HA ASP 44 2.459 -9.618 -3.028 164 HB2 ASP 44 2HB ASP 44 1.348 -9.301 -0.203 165 HB3 ASP 44 3HB ASP 44 0.389 -9.532 -1.602 166 H LEU 45 H LEU 45 2.203 -7.218 -0.434 167 HA LEU 45 HA LEU 45 0.501 -5.398 -1.808 168 HG LEU 45 HG LEU 45 0.406 -6.434 1.104 169 HB2 LEU 45 2HB LEU 45 2.429 -5.322 0.555 170 HB3 LEU 45 3HB LEU 45 1.608 -3.868 0.061 171 HD11 LEU 45 1HD1 LEU 45 0.406 -3.502 1.969 172 HD12 LEU 45 2HD1 LEU 45 -0.400 -4.846 2.844 173 HD13 LEU 45 3HD1 LEU 45 1.373 -4.813 2.662 174 HD21 LEU 45 3HD2 LEU 45 -1.249 -5.910 -0.471 175 HD22 LEU 45 1HD2 LEU 45 -1.817 -5.000 0.925 176 HD23 LEU 45 2HD2 LEU 45 -0.938 -4.176 -0.382 177 H LYS 46 H LYS 46 4.040 -5.424 -1.465 178 HA LYS 46 HA LYS 46 4.677 -3.078 -3.059 179 HB2 LYS 46 2HB LYS 46 6.202 -4.352 -1.637 180 HB3 LYS 46 3HB LYS 46 6.086 -5.747 -2.756 181 HG2 LYS 46 2HG LYS 46 6.947 -4.218 -4.571 182 HG3 LYS 46 3HG LYS 46 7.180 -2.968 -3.333 183 HD2 LYS 46 2HD LYS 46 8.546 -5.693 -3.522 184 HD3 LYS 46 3HD LYS 46 9.184 -4.078 -3.831 185 HE2 LYS 46 2HE LYS 46 10.075 -4.634 -1.721 186 HE3 LYS 46 3HE LYS 46 8.741 -3.536 -1.371 187 HZ1 LYS 46 3HZ LYS 46 7.388 -5.551 -0.834 188 HZ2 LYS 46 1HZ LYS 46 8.699 -6.517 -1.082 189 HZ3 LYS 46 2HZ LYS 46 8.697 -5.422 0.112 190 H ASP 47 H ASP 47 4.311 -6.534 -4.135 191 HA ASP 47 HA ASP 47 4.713 -5.714 -6.819 192 HB2 ASP 47 2HB ASP 47 4.453 -8.151 -5.642 193 HB3 ASP 47 3HB ASP 47 2.817 -8.013 -6.178 194 H LEU 48 H LEU 48 1.569 -6.090 -5.129 195 HA LEU 48 HA LEU 48 0.195 -5.181 -7.439 196 HG LEU 48 HG LEU 48 -2.132 -4.214 -7.124 197 HB2 LEU 48 2HB LEU 48 -1.117 -6.196 -5.737 198 HB3 LEU 48 3HB LEU 48 -0.671 -4.989 -4.534 199 HD11 LEU 48 1HD1 LEU 48 -3.571 -5.795 -6.055 200 HD12 LEU 48 2HD1 LEU 48 -3.384 -4.978 -4.453 201 HD13 LEU 48 3HD1 LEU 48 -4.241 -4.194 -5.787 202 HD21 LEU 48 3HD2 LEU 48 -3.043 -2.453 -5.495 203 HD22 LEU 48 1HD2 LEU 48 -1.651 -2.910 -4.478 204 HD23 LEU 48 2HD2 LEU 48 -1.447 -2.285 -6.153 205 H ALA 49 H ALA 49 1.570 -3.261 -4.698 206 HA ALA 49 HA ALA 49 0.717 -0.768 -5.680 207 HB1 ALA 49 1HB ALA 49 3.051 -1.725 -4.011 208 HB2 ALA 49 2HB ALA 49 2.835 -0.021 -4.374 209 HB3 ALA 49 3HB ALA 49 1.548 -0.904 -3.505 210 H ARG 50 H ARG 50 3.450 -2.750 -6.748 211 HA ARG 50 HA ARG 50 4.484 -0.715 -8.556 212 HE ARG 50 HE ARG 50 7.565 -0.845 -4.736 213 HB2 ARG 50 2HB ARG 50 5.170 -3.645 -8.646 214 HB3 ARG 50 3HB ARG 50 6.096 -2.282 -9.242 215 HG2 ARG 50 2HG ARG 50 6.019 -3.506 -6.601 216 HG3 ARG 50 3HG ARG 50 7.303 -2.666 -7.308 217 HD2 ARG 50 2HD ARG 50 5.343 -0.715 -6.510 218 HD3 ARG 50 3HD ARG 50 5.586 -1.826 -5.202 219 HH11 ARG 50 2HH2 ARG 50 7.118 -0.118 -8.157 220 HH12 ARG 50 1HH2 ARG 50 8.158 1.299 -8.006 221 HH21 ARG 50 1HH1 ARG 50 8.707 1.093 -4.749 222 HH22 ARG 50 2HH1 ARG 50 9.052 1.832 -6.293 223 H GLU 51 H GLU 51 2.023 -3.176 -8.781 224 HA GLU 51 HA GLU 51 1.466 -2.997 -11.623 225 HB2 GLU 51 2HB GLU 51 -0.555 -3.490 -9.407 226 HB3 GLU 51 3HB GLU 51 -0.858 -3.639 -11.035 227 HG2 GLU 51 2HG GLU 51 1.434 -5.145 -9.773 228 HG3 GLU 51 3HG GLU 51 -0.107 -5.720 -9.423 229 H ASN 52 H ASN 52 0.516 -1.235 -8.835 230 HA ASN 52 HA ASN 52 -1.458 0.449 -10.206 231 HB2 ASN 52 2HB ASN 52 -0.776 -0.524 -7.434 232 HB3 ASN 52 3HB ASN 52 -1.632 0.933 -7.548 233 HD21 ASN 52 2HD2 ASN 52 -1.768 -2.458 -8.388 234 HD22 ASN 52 1HD2 ASN 52 -3.529 -2.500 -8.463 235 H SER 53 H SER 53 1.803 0.823 -9.378 236 HA SER 53 HA SER 53 3.250 2.524 -9.798 237 HG SER 53 HG SER 53 1.404 2.227 -11.993 238 HB2 SER 53 2HB SER 53 0.897 4.177 -10.788 239 HB3 SER 53 3HB SER 53 2.614 4.582 -10.944 240 H LEU 54 H LEU 54 1.981 1.990 -7.346 241 HA LEU 54 HA LEU 54 1.457 4.343 -5.763 242 HG LEU 54 HG LEU 54 0.016 1.420 -4.122 243 HB2 LEU 54 2HB LEU 54 1.609 1.464 -5.523 244 HB3 LEU 54 3HB LEU 54 2.585 2.107 -4.248 245 HD11 LEU 54 1HD1 LEU 54 -0.170 2.631 -2.005 246 HD12 LEU 54 2HD1 LEU 54 1.445 1.972 -2.186 247 HD13 LEU 54 3HD1 LEU 54 1.167 3.705 -2.482 248 HD21 LEU 54 3HD2 LEU 54 -0.735 3.232 -5.671 249 HD22 LEU 54 1HD2 LEU 54 -1.518 3.202 -4.085 250 HD23 LEU 54 2HD2 LEU 54 -0.277 4.421 -4.419 251 H GLU 55 H GLU 55 4.427 2.794 -6.811 252 HA GLU 55 HA GLU 55 6.546 2.845 -6.260 253 HB2 GLU 55 2HB GLU 55 5.946 5.075 -7.336 254 HB3 GLU 55 3HB GLU 55 6.097 5.770 -5.728 255 HG2 GLU 55 2HG GLU 55 8.088 6.120 -6.739 256 HG3 GLU 55 3HG GLU 55 8.454 4.771 -5.660 257 H THR 56 H THR 56 5.349 4.994 -3.947 258 HA THR 56 HA THR 56 5.871 5.549 -1.786 259 HB THR 56 HB THR 56 5.195 4.022 -0.181 260 HG1 THR 56 1HG THR 56 5.976 2.050 -2.064 261 HG21 THR 56 1HG2 THR 56 3.413 4.557 -1.786 262 HG22 THR 56 2HG2 THR 56 3.790 3.068 -2.674 263 HG23 THR 56 3HG2 THR 56 3.195 3.003 -1.011 264 H THR 57 H THR 57 7.105 4.358 0.378 265 HA THR 57 HA THR 57 9.991 4.018 -0.412 266 HB THR 57 HB THR 57 8.924 4.556 2.370 267 HG1 THR 57 1HG THR 57 9.956 6.478 0.547 268 HG21 THR 57 1HG2 THR 57 11.672 4.928 1.139 269 HG22 THR 57 2HG2 THR 57 11.190 5.433 2.780 270 HG23 THR 57 3HG2 THR 57 11.184 3.715 2.345 271 H PHE 58 H PHE 58 7.473 2.942 1.913 272 HA PHE 58 HA PHE 58 8.399 0.172 1.936 273 HD1 PHE 58 HD2 PHE 58 8.872 3.858 4.363 274 HD2 PHE 58 HD1 PHE 58 8.749 -0.134 5.999 275 HE1 PHE 58 HE2 PHE 58 8.772 4.792 6.652 276 HE2 PHE 58 HE1 PHE 58 8.571 0.809 8.279 277 HZ PHE 58 HZ PHE 58 8.670 3.283 8.609 278 HB2 PHE 58 2HB PHE 58 9.563 0.207 3.835 279 HB3 PHE 58 3HB PHE 58 10.056 1.741 3.267 280 H SER 59 H SER 59 7.316 -1.116 3.571 281 HA SER 59 HA SER 59 4.926 0.056 4.850 282 HG SER 59 HG SER 59 2.745 -2.603 3.882 283 HB2 SER 59 2HB SER 59 4.022 -1.069 2.884 284 HB3 SER 59 3HB SER 59 4.930 -2.490 3.251 285 H SER 60 H SER 60 4.170 -1.232 6.571 286 HA SER 60 HA SER 60 6.104 -3.131 7.878 287 HG SER 60 HG SER 60 6.902 -1.557 9.590 288 HB2 SER 60 2HB SER 60 4.123 -1.154 9.030 289 HB3 SER 60 3HB SER 60 4.867 -2.459 9.991 290 H VAL 61 H VAL 61 5.373 -5.098 7.413 291 HA VAL 61 HA VAL 61 2.463 -5.729 7.572 292 HB VAL 61 HB VAL 61 4.296 -7.045 5.538 293 HG11 VAL 61 1HG1 VAL 61 2.049 -8.056 5.869 294 HG12 VAL 61 2HG1 VAL 61 1.310 -6.475 5.553 295 HG13 VAL 61 3HG1 VAL 61 2.143 -7.292 4.282 296 HG21 VAL 61 3HG2 VAL 61 4.541 -4.740 4.879 297 HG22 VAL 61 1HG2 VAL 61 3.340 -5.461 3.793 298 HG23 VAL 61 2HG2 VAL 61 2.820 -4.443 5.138 299 H ASN 62 H ASN 62 1.950 -7.904 8.034 300 HA ASN 62 HA ASN 62 2.129 -10.039 8.709 301 HB2 ASN 62 2HB ASN 62 5.152 -9.790 8.688 302 HB3 ASN 62 3HB ASN 62 4.219 -11.273 8.710 303 HD21 ASN 62 1HD2 ASN 62 5.854 -9.112 6.703 304 HD22 ASN 62 2HD2 ASN 62 5.333 -9.881 5.220 305 H THR 63 H THR 63 2.436 -7.584 10.635 306 HA THR 63 HA THR 63 3.833 -8.163 12.953 307 HB THR 63 HB THR 63 1.050 -6.942 12.867 308 HG1 THR 63 1HG THR 63 2.103 -5.030 12.392 309 HG21 THR 63 1HG2 THR 63 1.944 -7.200 15.155 310 HG22 THR 63 2HG2 THR 63 3.463 -6.414 14.661 311 HG23 THR 63 3HG2 THR 63 1.940 -5.496 14.684 312 H ARG 64 H ARG 64 0.613 -9.255 12.123 313 HA ARG 64 HA ARG 64 0.719 -11.855 12.866 314 HE ARG 64 HE ARG 64 -2.831 -13.377 15.342 315 HB2 ARG 64 2HB ARG 64 0.556 -10.732 15.367 316 HB3 ARG 64 3HB ARG 64 -1.149 -10.784 14.983 317 HG2 ARG 64 2HG ARG 64 0.835 -13.066 15.136 318 HG3 ARG 64 3HG ARG 64 -0.547 -12.792 16.174 319 HD2 ARG 64 2HD ARG 64 -0.699 -13.624 13.238 320 HD3 ARG 64 3HD ARG 64 -0.749 -14.715 14.597 321 HH11 ARG 64 1HH1 ARG 64 -2.233 -13.674 11.926 322 HH12 ARG 64 2HH1 ARG 64 -3.873 -14.167 11.599 323 HH21 ARG 64 1HH2 ARG 64 -4.954 -13.831 14.769 324 HH22 ARG 64 2HH2 ARG 64 -5.330 -14.152 13.103 325 H ASP 65 H ASP 65 -1.494 -9.137 13.268 326 HA ASP 65 HA ASP 65 -3.306 -8.372 12.104 327 HB2 ASP 65 2HB ASP 65 -2.192 -10.164 9.911 328 HB3 ASP 65 3HB ASP 65 -3.314 -8.849 9.688 329 H PHE 66 H PHE 66 -5.133 -9.417 10.285 330 HA PHE 66 HA PHE 66 -6.633 -11.434 11.766 331 HD1 PHE 66 HD1 PHE 66 -7.733 -12.800 8.161 332 HD2 PHE 66 HD2 PHE 66 -6.433 -8.697 8.232 333 HE1 PHE 66 HE1 PHE 66 -7.334 -12.888 5.714 334 HE2 PHE 66 HE2 PHE 66 -6.014 -8.796 5.770 335 HZ PHE 66 HZ PHE 66 -6.518 -10.864 4.503 336 HB2 PHE 66 2HB PHE 66 -8.230 -11.257 10.096 337 HB3 PHE 66 3HB PHE 66 -7.530 -9.648 10.150 338 H ASP 67 H ASP 67 -4.535 -11.347 8.977 339 HA ASP 67 HA ASP 67 -3.309 -13.924 9.430 340 HB2 ASP 67 2HB ASP 67 -5.384 -14.519 8.065 341 HB3 ASP 67 3HB ASP 67 -4.749 -13.496 6.778 342 H GLY 68 H GLY 68 -3.835 -11.086 7.336 343 HA2 GLY 68 2HA GLY 68 -1.162 -10.145 7.749 344 HA3 GLY 68 3HA GLY 68 -1.339 -10.766 6.113 345 H THR 69 H THR 69 -1.466 -8.029 7.878 346 HA THR 69 HA THR 69 -2.863 -6.537 5.711 347 HB THR 69 HB THR 69 -3.842 -4.967 7.003 348 HG1 THR 69 1HG THR 69 -2.387 -5.846 9.271 349 HG21 THR 69 1HG2 THR 69 -4.302 -7.149 9.013 350 HG22 THR 69 2HG2 THR 69 -5.412 -5.934 8.407 351 HG23 THR 69 3HG2 THR 69 -4.916 -7.280 7.355 352 H GLY 70 H GLY 70 -1.811 -4.510 5.250 353 HA2 GLY 70 2HA GLY 70 0.937 -4.229 6.459 354 HA3 GLY 70 3HA GLY 70 0.694 -4.134 4.723 355 H ALA 71 H ALA 71 1.830 -2.160 6.436 356 HA ALA 71 HA ALA 71 -0.099 0.031 5.903 357 HB1 ALA 71 1HB ALA 71 -0.233 -0.695 8.284 358 HB2 ALA 71 2HB ALA 71 1.504 -0.375 8.476 359 HB3 ALA 71 3HB ALA 71 0.367 0.954 8.138 360 H LEU 72 H LEU 72 0.698 1.413 4.548 361 HA LEU 72 HA LEU 72 3.565 1.304 3.780 362 HG LEU 72 HG LEU 72 1.546 1.135 0.579 363 HB2 LEU 72 2HB LEU 72 1.079 2.356 2.521 364 HB3 LEU 72 3HB LEU 72 2.578 2.850 1.946 365 HD11 LEU 72 1HD1 LEU 72 3.536 -0.075 0.119 366 HD12 LEU 72 2HD1 LEU 72 3.876 1.611 0.467 367 HD13 LEU 72 3HD1 LEU 72 4.260 0.439 1.671 368 HD21 LEU 72 3HD2 LEU 72 1.638 -1.239 1.219 369 HD22 LEU 72 1HD2 LEU 72 1.911 -0.729 2.898 370 HD23 LEU 72 2HD2 LEU 72 0.426 -0.276 2.084 371 H GLU 73 H GLU 73 4.737 3.129 3.555 372 HA GLU 73 HA GLU 73 3.757 5.758 4.697 373 HB2 GLU 73 2HB GLU 73 4.832 4.597 6.425 374 HB3 GLU 73 3HB GLU 73 6.269 4.280 5.483 375 HG2 GLU 73 2HG GLU 73 7.077 6.446 5.703 376 HG3 GLU 73 3HG GLU 73 5.510 7.163 5.945 377 H PHE 74 H PHE 74 4.639 7.670 3.841 378 HA PHE 74 HA PHE 74 6.930 7.565 2.027 379 HD1 PHE 74 HD2 PHE 74 7.133 6.602 -0.018 380 HD2 PHE 74 HD1 PHE 74 5.156 10.280 -0.854 381 HE1 PHE 74 HE2 PHE 74 8.762 7.038 -1.872 382 HE2 PHE 74 HE1 PHE 74 6.820 10.804 -2.621 383 HZ PHE 74 HZ PHE 74 8.618 9.163 -3.151 384 HB2 PHE 74 2HB PHE 74 4.393 7.436 0.769 385 HB3 PHE 74 3HB PHE 74 4.617 9.125 0.997 386 HA PRO 75 HA PRO 75 7.404 11.818 3.487 387 HB2 PRO 75 2HB PRO 75 9.026 12.912 1.517 388 HB3 PRO 75 3HB PRO 75 9.567 11.853 2.856 389 HG2 PRO 75 2HG PRO 75 8.812 11.038 0.031 390 HG3 PRO 75 3HG PRO 75 10.301 10.616 0.947 391 HD2 PRO 75 2HD PRO 75 8.293 8.890 0.884 392 HD3 PRO 75 3HD PRO 75 9.081 9.205 2.435 393 H SER 76 H SER 76 5.503 11.177 0.675 394 HA SER 76 HA SER 76 4.426 13.990 0.712 395 HG SER 76 HG SER 76 5.600 14.762 -1.977 396 HB2 SER 76 2HB SER 76 4.889 12.202 -1.648 397 HB3 SER 76 3HB SER 76 3.925 13.600 -1.700 398 H GLU 77 H GLU 77 2.472 13.966 1.414 399 HA GLU 77 HA GLU 77 0.699 11.795 1.370 400 HB2 GLU 77 2HB GLU 77 -1.084 13.486 1.809 401 HB3 GLU 77 3HB GLU 77 0.320 13.611 2.858 402 HG2 GLU 77 2HG GLU 77 1.157 15.417 1.143 403 HG3 GLU 77 3HG GLU 77 -0.513 15.405 0.559 404 H GLU 78 H GLU 78 1.625 13.762 -1.295 405 HA GLU 78 HA GLU 78 -0.505 13.392 -3.103 406 HB2 GLU 78 2HB GLU 78 2.492 13.043 -3.616 407 HB3 GLU 78 3HB GLU 78 1.245 13.292 -4.831 408 HG2 GLU 78 2HG GLU 78 1.862 15.468 -4.664 409 HG3 GLU 78 3HG GLU 78 0.729 15.455 -3.305 410 H ILE 79 H ILE 79 1.953 11.011 -2.100 411 HA ILE 79 HA ILE 79 0.911 8.861 -3.742 412 HB ILE 79 HB ILE 79 2.898 8.805 -1.434 413 HG12 ILE 79 2HG1 ILE 79 3.086 9.700 -4.252 414 HG13 ILE 79 3HG1 ILE 79 4.024 10.150 -2.892 415 HG21 ILE 79 1HG2 ILE 79 3.659 6.667 -2.377 416 HG22 ILE 79 2HG2 ILE 79 1.979 6.560 -1.906 417 HG23 ILE 79 3HG2 ILE 79 2.371 6.765 -3.619 418 HD11 ILE 79 3HD1 ILE 79 4.364 7.726 -4.724 419 HD12 ILE 79 1HD1 ILE 79 5.445 9.114 -4.556 420 HD13 ILE 79 2HD1 ILE 79 5.319 7.929 -3.239 421 H LEU 80 H LEU 80 0.435 9.875 -0.393 422 HA LEU 80 HA LEU 80 -0.989 7.643 0.582 423 HG LEU 80 HG LEU 80 -3.272 10.215 1.592 424 HB2 LEU 80 2HB LEU 80 -0.415 9.228 2.163 425 HB3 LEU 80 3HB LEU 80 -0.888 10.568 1.179 426 HD11 LEU 80 1HD1 LEU 80 -2.397 8.314 3.772 427 HD12 LEU 80 2HD1 LEU 80 -4.041 8.853 3.388 428 HD13 LEU 80 3HD1 LEU 80 -3.175 7.808 2.244 429 HD21 LEU 80 3HD2 LEU 80 -2.043 11.829 2.901 430 HD22 LEU 80 1HD2 LEU 80 -3.249 11.002 3.899 431 HD23 LEU 80 2HD2 LEU 80 -1.538 10.552 4.039 432 H VAL 81 H VAL 81 -2.143 10.629 -1.033 433 HA VAL 81 HA VAL 81 -4.964 9.893 -0.889 434 HB VAL 81 HB VAL 81 -3.454 12.057 -2.464 435 HG11 VAL 81 1HG1 VAL 81 -5.598 11.695 -3.606 436 HG12 VAL 81 2HG1 VAL 81 -6.471 11.766 -2.057 437 HG13 VAL 81 3HG1 VAL 81 -5.666 13.210 -2.710 438 HG21 VAL 81 3HG2 VAL 81 -3.406 12.341 0.008 439 HG22 VAL 81 1HG2 VAL 81 -4.340 13.612 -0.777 440 HG23 VAL 81 2HG2 VAL 81 -5.178 12.273 0.044 441 H GLU 82 H GLU 82 -2.438 9.697 -3.350 442 HA GLU 82 HA GLU 82 -3.899 8.675 -5.483 443 HB2 GLU 82 2HB GLU 82 -1.192 8.620 -4.237 444 HB3 GLU 82 3HB GLU 82 -1.519 7.260 -5.135 445 HG2 GLU 82 2HG GLU 82 -1.583 10.153 -6.015 446 HG3 GLU 82 3HG GLU 82 -0.296 9.005 -6.382 447 H ALA 83 H ALA 83 -2.139 6.640 -3.040 448 HA ALA 83 HA ALA 83 -3.416 4.183 -3.627 449 HB1 ALA 83 1HB ALA 83 -1.395 4.621 -2.179 450 HB2 ALA 83 2HB ALA 83 -2.487 5.120 -0.878 451 HB3 ALA 83 3HB ALA 83 -2.552 3.450 -1.502 452 H LEU 84 H LEU 84 -4.672 6.644 -1.413 453 HA LEU 84 HA LEU 84 -6.889 5.026 -0.357 454 HG LEU 84 HG LEU 84 -5.113 7.878 1.091 455 HB2 LEU 84 2HB LEU 84 -6.600 8.070 -0.550 456 HB3 LEU 84 3HB LEU 84 -7.872 7.267 0.252 457 HD11 LEU 84 1HD1 LEU 84 -7.078 9.016 1.941 458 HD12 LEU 84 2HD1 LEU 84 -7.720 7.478 2.576 459 HD13 LEU 84 3HD1 LEU 84 -6.219 8.165 3.237 460 HD21 LEU 84 3HD2 LEU 84 -4.853 5.512 1.158 461 HD22 LEU 84 1HD2 LEU 84 -5.171 6.083 2.819 462 HD23 LEU 84 2HD2 LEU 84 -6.478 5.302 1.826 463 H GLU 85 H GLU 85 -6.448 7.043 -3.236 464 HA GLU 85 HA GLU 85 -9.228 6.425 -3.965 465 HB2 GLU 85 2HB GLU 85 -7.175 8.330 -5.167 466 HB3 GLU 85 3HB GLU 85 -8.801 8.095 -5.822 467 HG2 GLU 85 2HG GLU 85 -9.786 8.800 -3.656 468 HG3 GLU 85 3HG GLU 85 -8.178 9.170 -3.039 469 H ARG 86 H ARG 86 -6.230 4.924 -4.444 470 HA ARG 86 HA ARG 86 -6.824 3.993 -7.223 471 HE ARG 86 HE ARG 86 -3.879 7.596 -8.827 472 HB2 ARG 86 2HB ARG 86 -4.357 4.818 -5.726 473 HB3 ARG 86 3HB ARG 86 -4.148 3.441 -6.569 474 HG2 ARG 86 2HG ARG 86 -3.477 5.258 -7.969 475 HG3 ARG 86 3HG ARG 86 -4.953 4.610 -8.705 476 HD2 ARG 86 2HD ARG 86 -6.339 6.327 -7.694 477 HD3 ARG 86 3HD ARG 86 -4.982 6.906 -6.717 478 HH11 ARG 86 2HH1 ARG 86 -7.372 7.808 -8.423 479 HH12 ARG 86 1HH1 ARG 86 -7.414 9.455 -8.981 480 HH21 ARG 86 1HH2 ARG 86 -4.012 9.702 -9.295 481 HH22 ARG 86 2HH2 ARG 86 -5.554 10.477 -9.586 482 H LEU 87 H LEU 87 -6.137 2.895 -3.928 483 HA LEU 87 HA LEU 87 -6.439 0.100 -4.770 484 HG LEU 87 HG LEU 87 -4.179 -0.485 -4.892 485 HB2 LEU 87 2HB LEU 87 -4.651 1.468 -2.726 486 HB3 LEU 87 3HB LEU 87 -5.073 -0.184 -2.616 487 HD11 LEU 87 1HD1 LEU 87 -3.553 2.329 -4.753 488 HD12 LEU 87 2HD1 LEU 87 -2.367 1.248 -5.520 489 HD13 LEU 87 3HD1 LEU 87 -4.033 1.233 -6.101 490 HD21 LEU 87 3HD2 LEU 87 -2.830 -1.091 -2.907 491 HD22 LEU 87 1HD2 LEU 87 -1.797 -0.500 -4.210 492 HD23 LEU 87 2HD2 LEU 87 -2.193 0.571 -2.842 493 H ASN 88 H ASN 88 -8.275 2.467 -3.264 494 HA ASN 88 HA ASN 88 -9.047 0.834 -0.996 495 HB2 ASN 88 2HB ASN 88 -9.068 3.285 -0.850 496 HB3 ASN 88 3HB ASN 88 -10.448 3.320 -1.966 497 HD21 ASN 88 1HD2 ASN 88 -12.006 4.020 -0.445 498 HD22 ASN 88 2HD2 ASN 88 -12.450 3.077 0.962 499 H ASN 89 H ASN 89 -10.101 -0.954 -1.256 500 HA ASN 89 HA ASN 89 -11.473 -2.560 -1.822 501 HB2 ASN 89 2HB ASN 89 -13.090 -0.740 -0.898 502 HB3 ASN 89 3HB ASN 89 -13.708 -0.704 -2.556 503 HD21 ASN 89 1HD2 ASN 89 -12.877 -2.925 0.176 504 HD22 ASN 89 2HD2 ASN 89 -14.155 -4.071 -0.200 505 H ILE 90 H ILE 90 -9.635 -2.236 -3.550 506 HA ILE 90 HA ILE 90 -10.783 -2.452 -6.311 507 HB ILE 90 HB ILE 90 -8.501 -2.255 -7.170 508 HG12 ILE 90 2HG1 ILE 90 -7.335 -1.807 -4.449 509 HG13 ILE 90 3HG1 ILE 90 -7.376 -3.403 -5.144 510 HG21 ILE 90 1HG2 ILE 90 -9.948 -0.287 -6.657 511 HG22 ILE 90 2HG2 ILE 90 -8.975 -0.023 -5.204 512 HG23 ILE 90 3HG2 ILE 90 -8.229 0.019 -6.823 513 HD11 ILE 90 3HD1 ILE 90 -5.279 -2.291 -5.586 514 HD12 ILE 90 1HD1 ILE 90 -6.114 -2.847 -7.043 515 HD13 ILE 90 2HD1 ILE 90 -6.104 -1.113 -6.632 516 H GLU 91 H GLU 91 -10.280 -4.340 -7.530 517 HA GLU 91 HA GLU 91 -9.771 -6.722 -5.865 518 HB2 GLU 91 2HB GLU 91 -11.672 -6.555 -7.540 519 HB3 GLU 91 3HB GLU 91 -10.390 -6.725 -8.736 520 HG2 GLU 91 2HG GLU 91 -9.695 -8.860 -7.603 521 HG3 GLU 91 3HG GLU 91 -11.126 -8.706 -6.578 522 H PHE 92 H PHE 92 -7.848 -6.992 -5.390 523 HA PHE 92 HA PHE 92 -5.399 -6.561 -6.880 524 HD1 PHE 92 HD1 PHE 92 -3.425 -8.327 -6.504 525 HD2 PHE 92 HD2 PHE 92 -4.394 -7.373 -2.402 526 HE1 PHE 92 HE1 PHE 92 -1.153 -8.979 -5.811 527 HE2 PHE 92 HE2 PHE 92 -2.094 -8.013 -1.725 528 HZ PHE 92 HZ PHE 92 -0.479 -8.804 -3.455 529 HB2 PHE 92 2HB PHE 92 -5.747 -6.428 -4.404 530 HB3 PHE 92 3HB PHE 92 -6.186 -7.992 -4.302 531 H ARG 93 H ARG 93 -5.998 -7.832 -8.851 532 HA ARG 93 HA ARG 93 -5.614 -9.657 -10.186 533 HE ARG 93 HE ARG 93 -0.828 -8.624 -10.244 534 HB2 ARG 93 2HB ARG 93 -4.088 -10.585 -7.701 535 HB3 ARG 93 3HB ARG 93 -4.024 -11.415 -9.256 536 HG2 ARG 93 2HG ARG 93 -3.154 -9.410 -10.383 537 HG3 ARG 93 3HG ARG 93 -3.190 -8.509 -8.849 538 HD2 ARG 93 2HD ARG 93 -1.634 -10.099 -7.833 539 HD3 ARG 93 3HD ARG 93 -1.641 -11.093 -9.308 540 HH11 ARG 93 1HH1 ARG 93 0.504 -10.728 -7.707 541 HH12 ARG 93 2HH1 ARG 93 2.118 -10.088 -8.047 542 HH21 ARG 93 2HH2 ARG 93 1.198 -8.073 -10.573 543 HH22 ARG 93 1HH2 ARG 93 2.502 -8.736 -9.543 544 H GLY 94 H GLY 94 -7.712 -10.024 -7.707 545 HA2 GLY 94 2HA GLY 94 -9.496 -11.883 -8.205 546 HA3 GLY 94 3HA GLY 94 -8.128 -12.961 -7.889 547 H SER 95 H SER 95 -7.259 -10.593 -5.783 548 HA SER 95 HA SER 95 -8.866 -11.470 -3.505 549 HG SER 95 HG SER 95 -6.678 -12.556 -2.514 550 HB2 SER 95 3HB SER 95 -6.174 -10.195 -4.052 551 HB3 SER 95 2HB SER 95 -6.775 -10.280 -2.447 552 H VAL 96 H VAL 96 -9.008 -9.239 -2.125 553 HA VAL 96 HA VAL 96 -8.892 -6.846 -3.819 554 HB VAL 96 HB VAL 96 -10.988 -6.576 -4.250 555 HG11 VAL 96 1HG1 VAL 96 -12.864 -7.810 -3.505 556 HG12 VAL 96 2HG1 VAL 96 -11.532 -8.819 -4.065 557 HG13 VAL 96 3HG1 VAL 96 -11.843 -8.651 -2.301 558 HG21 VAL 96 3HG2 VAL 96 -12.550 -5.633 -2.731 559 HG22 VAL 96 1HG2 VAL 96 -11.571 -6.126 -1.340 560 HG23 VAL 96 2HG2 VAL 96 -10.959 -4.926 -2.493 561 H ILE 97 H ILE 97 -8.572 -4.949 -2.533 562 HA ILE 97 HA ILE 97 -8.102 -5.308 0.389 563 HB ILE 97 HB ILE 97 -6.274 -3.525 0.031 564 HG12 ILE 97 2HG1 ILE 97 -6.198 -4.820 -2.710 565 HG13 ILE 97 3HG1 ILE 97 -6.726 -3.166 -2.392 566 HG21 ILE 97 1HG2 ILE 97 -4.545 -5.173 -0.000 567 HG22 ILE 97 2HG2 ILE 97 -5.910 -5.801 0.907 568 HG23 ILE 97 3HG2 ILE 97 -5.647 -6.381 -0.750 569 HD11 ILE 97 3HD1 ILE 97 -4.482 -3.077 -3.216 570 HD12 ILE 97 1HD1 ILE 97 -4.431 -2.661 -1.485 571 HD13 ILE 97 2HD1 ILE 97 -3.920 -4.280 -2.041 572 H THR 98 H THR 98 -8.451 -3.546 1.663 573 HA THR 98 HA THR 98 -9.820 -1.088 0.533 574 HB THR 98 HB THR 98 -10.090 -2.468 3.197 575 HG1 THR 98 1HG THR 98 -12.126 -3.092 2.490 576 HG21 THR 98 1HG2 THR 98 -11.847 -0.265 2.095 577 HG22 THR 98 2HG2 THR 98 -11.917 -1.005 3.708 578 HG23 THR 98 3HG2 THR 98 -10.536 0.012 3.268 579 H VAL 99 H VAL 99 -8.942 0.824 1.319 580 HA VAL 99 HA VAL 99 -6.590 0.616 3.088 581 HB VAL 99 HB VAL 99 -5.028 1.589 1.625 582 HG11 VAL 99 1HG1 VAL 99 -6.494 -0.520 -0.020 583 HG12 VAL 99 2HG1 VAL 99 -4.790 -0.078 -0.114 584 HG13 VAL 99 3HG1 VAL 99 -5.425 -0.851 1.341 585 HG21 VAL 99 3HG2 VAL 99 -5.612 2.049 -0.757 586 HG22 VAL 99 1HG2 VAL 99 -7.318 1.838 -0.290 587 HG23 VAL 99 2HG2 VAL 99 -6.349 3.152 0.404 588 H GLU 100 H GLU 100 -5.940 2.370 4.067 589 HA GLU 100 HA GLU 100 -7.259 5.028 3.776 590 HB2 GLU 100 2HB GLU 100 -8.286 4.833 6.049 591 HB3 GLU 100 3HB GLU 100 -9.079 3.784 4.894 592 HG2 GLU 100 2HG GLU 100 -6.935 2.359 6.347 593 HG3 GLU 100 3HG GLU 100 -8.006 3.183 7.458 594 H ARG 101 H ARG 101 -6.465 6.596 5.176 595 HA ARG 101 HA ARG 101 -3.790 6.206 6.230 596 HE ARG 101 HE ARG 101 -4.622 10.799 8.933 597 HB2 ARG 101 2HB ARG 101 -4.090 8.316 7.238 598 HB3 ARG 101 3HB ARG 101 -4.411 8.388 5.527 599 HG2 ARG 101 2HG ARG 101 -6.656 8.858 5.828 600 HG3 ARG 101 3HG ARG 101 -6.761 8.076 7.391 601 HD2 ARG 101 2HD ARG 101 -5.238 10.628 6.776 602 HD3 ARG 101 3HD ARG 101 -6.859 10.608 7.452 603 HH11 ARG 101 1HH1 ARG 101 -6.948 8.151 9.102 604 HH12 ARG 101 2HH1 ARG 101 -6.425 7.740 10.711 605 HH21 ARG 101 2HH2 ARG 101 -4.037 10.129 10.976 606 HH22 ARG 101 1HH2 ARG 101 -4.790 8.724 11.636 607 H ASP 102 H ASP 102 -3.085 6.140 8.280 608 HA ASP 102 HA ASP 102 -4.990 5.277 10.419 609 HB2 ASP 102 2HB ASP 102 -3.596 3.530 9.071 610 HB3 ASP 102 3HB ASP 102 -2.236 4.093 9.997 611 H ASP 103 H ASP 103 -1.570 6.307 10.012 612 HA ASP 103 HA ASP 103 -1.541 7.771 12.605 613 HB2 ASP 103 2HB ASP 103 0.418 6.444 11.711 614 HB3 ASP 103 3HB ASP 103 0.510 7.593 10.370 615 H ASN 104 H ASN 104 -1.165 8.419 9.156 616 HA ASN 104 HA ASN 104 -2.570 10.937 9.082 617 HB2 ASN 104 2HB ASN 104 0.378 10.933 9.324 618 HB3 ASN 104 3HB ASN 104 -0.135 11.568 7.757 619 HD21 ASN 104 1HD2 ASN 104 -1.695 11.842 10.951 620 HD22 ASN 104 2HD2 ASN 104 -1.599 13.612 11.006 Start of MODEL 14 1 HA PRO 25 HA PRO 25 10.629 15.273 7.434 2 HB2 PRO 25 2HB PRO 25 10.380 14.385 4.532 3 HB3 PRO 25 3HB PRO 25 11.778 15.193 5.321 4 HG2 PRO 25 2HG PRO 25 11.640 12.479 5.171 5 HG3 PRO 25 3HG PRO 25 12.230 13.275 6.660 6 HD2 PRO 25 2HD PRO 25 9.662 11.847 6.222 7 HD3 PRO 25 3HD PRO 25 10.507 12.223 7.739 8 H ALA 26 H ALA 26 9.717 16.308 4.337 9 HA ALA 26 HA ALA 26 8.251 18.616 5.021 10 HB1 ALA 26 1HB ALA 26 8.213 16.895 2.497 11 HB2 ALA 26 2HB ALA 26 7.645 18.576 2.611 12 HB3 ALA 26 3HB ALA 26 9.364 18.200 2.857 13 H LYS 27 H LYS 27 7.149 15.383 4.209 14 HA LYS 27 HA LYS 27 4.687 15.652 5.833 15 HB2 LYS 27 2HB LYS 27 4.733 15.228 2.905 16 HB3 LYS 27 3HB LYS 27 4.182 13.789 3.680 17 HG2 LYS 27 2HG LYS 27 2.972 16.538 4.175 18 HG3 LYS 27 3HG LYS 27 2.384 15.323 3.043 19 HD2 LYS 27 2HD LYS 27 2.310 13.737 5.147 20 HD3 LYS 27 3HD LYS 27 2.341 15.243 6.074 21 HE2 LYS 27 2HE LYS 27 0.303 14.345 4.003 22 HE3 LYS 27 3HE LYS 27 0.065 14.398 5.737 23 HZ1 LYS 27 3HZ LYS 27 0.529 16.799 4.040 24 HZ2 LYS 27 1HZ LYS 27 -0.914 16.333 4.604 25 HZ3 LYS 27 2HZ LYS 27 0.230 16.813 5.668 26 H ARG 28 H ARG 28 3.933 13.531 6.456 27 HA ARG 28 HA ARG 28 5.167 11.094 5.680 28 HE ARG 28 HE ARG 28 6.313 8.945 9.057 29 HB2 ARG 28 2HB ARG 28 6.038 10.234 7.564 30 HB3 ARG 28 3HB ARG 28 6.813 11.785 7.447 31 HG2 ARG 28 2HG ARG 28 5.558 12.705 9.276 32 HG3 ARG 28 3HG ARG 28 4.411 11.347 9.289 33 HD2 ARG 28 2HD ARG 28 7.386 11.045 9.733 34 HD3 ARG 28 3HD ARG 28 6.207 11.207 11.054 35 HH11 ARG 28 1HH2 ARG 28 5.004 9.941 12.205 36 HH12 ARG 28 2HH2 ARG 28 4.139 8.401 12.289 37 HH21 ARG 28 1HH1 ARG 28 5.183 7.241 9.324 38 HH22 ARG 28 2HH1 ARG 28 4.319 6.937 10.859 39 H TYR 29 H TYR 29 3.722 9.357 6.141 40 HA TYR 29 HA TYR 29 1.118 10.162 7.333 41 HD1 TYR 29 HD1 TYR 29 0.833 7.444 4.369 42 HD2 TYR 29 HD2 TYR 29 2.747 11.163 3.153 43 HE1 TYR 29 HE1 TYR 29 1.767 6.324 2.371 44 HE2 TYR 29 HE2 TYR 29 3.462 10.109 1.139 45 HH TYR 29 HH TYR 29 3.457 8.085 -0.146 46 HB2 TYR 29 2HB TYR 29 0.045 9.633 5.139 47 HB3 TYR 29 3HB TYR 29 1.060 11.081 5.055 48 H ARG 30 H ARG 30 3.021 7.693 6.199 49 HA ARG 30 HA ARG 30 2.790 5.450 6.016 50 HE ARG 30 HE ARG 30 1.900 3.983 10.270 51 HB2 ARG 30 2HB ARG 30 3.575 6.158 8.303 52 HB3 ARG 30 3HB ARG 30 2.022 5.699 8.899 53 HG2 ARG 30 2HG ARG 30 3.857 3.831 7.284 54 HG3 ARG 30 3HG ARG 30 4.021 4.011 9.028 55 HD2 ARG 30 2HD ARG 30 1.546 3.011 7.576 56 HD3 ARG 30 3HD ARG 30 2.756 2.025 8.411 57 HH11 ARG 30 1HH1 ARG 30 0.113 1.429 8.651 58 HH12 ARG 30 2HH1 ARG 30 -0.988 1.295 9.987 59 HH21 ARG 30 2HH2 ARG 30 0.487 3.904 11.689 60 HH22 ARG 30 1HH2 ARG 30 -0.906 2.856 11.583 61 H ILE 31 H ILE 31 1.111 4.925 4.590 62 HA ILE 31 HA ILE 31 -1.680 4.655 5.513 63 HB ILE 31 HB ILE 31 -2.142 3.642 3.324 64 HG12 ILE 31 2HG1 ILE 31 0.737 4.166 2.592 65 HG13 ILE 31 3HG1 ILE 31 0.133 2.565 3.063 66 HG21 ILE 31 1HG2 ILE 31 -2.257 6.074 3.495 67 HG22 ILE 31 2HG2 ILE 31 -0.556 6.200 3.015 68 HG23 ILE 31 3HG2 ILE 31 -1.773 5.566 1.889 69 HD11 ILE 31 3HD1 ILE 31 0.152 2.564 0.727 70 HD12 ILE 31 1HD1 ILE 31 -1.546 2.702 1.217 71 HD13 ILE 31 2HD1 ILE 31 -0.660 4.132 0.613 72 H THR 32 H THR 32 -2.834 2.874 5.470 73 HA THR 32 HA THR 32 -1.620 0.170 6.001 74 HB THR 32 HB THR 32 -4.272 1.517 6.618 75 HG1 THR 32 1HG THR 32 -3.563 1.452 8.664 76 HG21 THR 32 1HG2 THR 32 -3.394 -1.405 7.122 77 HG22 THR 32 2HG2 THR 32 -4.811 -0.647 7.892 78 HG23 THR 32 3HG2 THR 32 -4.766 -0.876 6.144 79 H MET 33 H MET 33 -2.206 -1.548 4.822 80 HA MET 33 HA MET 33 -4.218 -1.240 2.743 81 HB2 MET 33 2HB MET 33 -1.450 -2.418 2.140 82 HB3 MET 33 3HB MET 33 -2.772 -2.140 1.014 83 HG2 MET 33 2HG MET 33 -2.412 0.396 1.796 84 HG3 MET 33 3HG MET 33 -0.837 -0.223 2.229 85 HE1 MET 33 3HE MET 33 0.110 -2.058 0.092 86 HE2 MET 33 1HE MET 33 -1.413 -2.297 -0.795 87 HE3 MET 33 2HE MET 33 -0.020 -1.546 -1.607 88 H LYS 34 H LYS 34 -5.507 -2.957 2.601 89 HA LYS 34 HA LYS 34 -4.630 -5.682 3.255 90 HB2 LYS 34 2HB LYS 34 -6.807 -5.599 5.009 91 HB3 LYS 34 3HB LYS 34 -5.262 -5.725 5.332 92 HG2 LYS 34 2HG LYS 34 -6.097 -4.065 6.799 93 HG3 LYS 34 3HG LYS 34 -5.385 -3.022 5.550 94 HD2 LYS 34 2HD LYS 34 -7.739 -3.339 4.339 95 HD3 LYS 34 3HD LYS 34 -8.285 -3.962 5.865 96 HE2 LYS 34 2HE LYS 34 -8.779 -1.728 6.203 97 HE3 LYS 34 3HE LYS 34 -7.074 -1.658 6.728 98 HZ1 LYS 34 3HZ LYS 34 -6.646 -0.352 5.004 99 HZ2 LYS 34 1HZ LYS 34 -7.270 -1.401 3.884 100 HZ3 LYS 34 2HZ LYS 34 -8.170 -0.238 4.680 101 H ASN 35 H ASN 35 -6.332 -7.200 3.279 102 HA ASN 35 HA ASN 35 -8.798 -6.760 3.650 103 HB2 ASN 35 2HB ASN 35 -9.363 -5.448 1.915 104 HB3 ASN 35 3HB ASN 35 -8.464 -6.336 0.745 105 HD21 ASN 35 2HD2 ASN 35 -9.649 -7.464 -0.662 106 HD22 ASN 35 1HD2 ASN 35 -11.311 -8.009 -0.420 107 H LEU 36 H LEU 36 -10.289 -8.729 3.220 108 HA LEU 36 HA LEU 36 -9.013 -10.857 4.403 109 HG LEU 36 HG LEU 36 -11.645 -9.125 4.697 110 HB2 LEU 36 2HB LEU 36 -11.667 -10.870 2.939 111 HB3 LEU 36 3HB LEU 36 -11.142 -12.075 4.111 112 HD11 LEU 36 1HD1 LEU 36 -13.678 -10.459 4.295 113 HD12 LEU 36 2HD1 LEU 36 -13.153 -11.642 5.516 114 HD13 LEU 36 3HD1 LEU 36 -13.548 -9.975 5.996 115 HD21 LEU 36 3HD2 LEU 36 -9.886 -9.930 6.202 116 HD22 LEU 36 1HD2 LEU 36 -11.405 -9.802 7.090 117 HD23 LEU 36 2HD2 LEU 36 -10.825 -11.398 6.562 118 HA PRO 37 HA PRO 37 -8.924 -13.776 0.686 119 HB2 PRO 37 2HB PRO 37 -9.021 -12.985 -1.896 120 HB3 PRO 37 3HB PRO 37 -10.478 -12.992 -0.868 121 HG2 PRO 37 2HG PRO 37 -8.670 -10.632 -1.474 122 HG3 PRO 37 3HG PRO 37 -10.455 -10.725 -1.636 123 HD2 PRO 37 2HD PRO 37 -9.162 -9.727 0.559 124 HD3 PRO 37 3HD PRO 37 -10.755 -10.540 0.684 125 H GLU 38 H GLU 38 -6.802 -12.456 2.009 126 HA GLU 38 HA GLU 38 -4.456 -12.717 0.192 127 HB2 GLU 38 2HB GLU 38 -5.709 -10.310 0.395 128 HB3 GLU 38 3HB GLU 38 -4.642 -10.188 1.791 129 HG2 GLU 38 3HG GLU 38 -2.740 -10.469 0.457 130 HG3 GLU 38 2HG GLU 38 -3.635 -10.941 -1.012 131 H GLY 39 H GLY 39 -2.453 -12.130 1.336 132 HA2 GLY 39 2HA GLY 39 -2.097 -12.175 4.146 133 HA3 GLY 39 3HA GLY 39 -1.792 -13.803 3.503 134 H CYS 40 H CYS 40 -1.212 -10.519 2.179 135 HA CYS 40 HA CYS 40 0.972 -11.332 0.625 136 HG CYS 40 HG CYS 40 -1.432 -7.762 1.040 137 HB2 CYS 40 2HB CYS 40 1.214 -8.841 0.203 138 HB3 CYS 40 3HB CYS 40 -0.378 -9.514 -0.102 139 H SER 41 H SER 41 3.089 -10.419 0.515 140 HA SER 41 HA SER 41 4.430 -9.523 3.042 141 HG SER 41 HG SER 41 5.438 -12.021 3.451 142 HB2 SER 41 2HB SER 41 5.569 -11.182 0.767 143 HB3 SER 41 3HB SER 41 6.465 -10.629 2.187 144 H TRP 42 H TRP 42 6.593 -8.274 2.418 145 HA TRP 42 HA TRP 42 5.741 -6.060 0.924 146 HD1 TRP 42 HD1 TRP 42 10.300 -4.787 1.390 147 HE1 TRP 42 HE1 TRP 42 10.344 -2.531 0.173 148 HE3 TRP 42 HE3 TRP 42 5.271 -4.206 0.479 149 HZ2 TRP 42 HZ2 TRP 42 8.449 -0.812 -1.234 150 HZ3 TRP 42 HZ3 TRP 42 4.468 -2.373 -0.913 151 HH2 TRP 42 HH2 TRP 42 5.999 -0.640 -1.716 152 HB2 TRP 42 2HB TRP 42 7.453 -5.895 2.637 153 HB3 TRP 42 3HB TRP 42 8.599 -6.733 1.636 154 H GLN 43 H GLN 43 7.693 -8.799 -0.222 155 HA GLN 43 HA GLN 43 8.172 -7.663 -2.748 156 HB2 GLN 43 2HB GLN 43 8.412 -10.032 -3.575 157 HB3 GLN 43 3HB GLN 43 9.358 -9.707 -2.122 158 HG2 GLN 43 2HG GLN 43 8.032 -11.061 -0.767 159 HG3 GLN 43 3HG GLN 43 6.582 -10.823 -1.723 160 HE21 GLN 43 1HE2 GLN 43 5.920 -12.512 -3.007 161 HE22 GLN 43 2HE2 GLN 43 7.005 -13.810 -3.513 162 H ASP 44 H ASP 44 5.214 -8.808 -1.551 163 HA ASP 44 HA ASP 44 4.039 -9.379 -4.193 164 HB2 ASP 44 2HB ASP 44 2.901 -9.302 -1.361 165 HB3 ASP 44 3HB ASP 44 2.121 -9.812 -2.801 166 H LEU 45 H LEU 45 3.775 -7.070 -1.460 167 HA LEU 45 HA LEU 45 1.922 -5.360 -2.858 168 HG LEU 45 HG LEU 45 1.470 -6.501 -0.240 169 HB2 LEU 45 2HB LEU 45 3.578 -5.211 -0.349 170 HB3 LEU 45 3HB LEU 45 2.709 -3.804 -0.942 171 HD11 LEU 45 1HD1 LEU 45 2.272 -5.220 1.655 172 HD12 LEU 45 2HD1 LEU 45 1.424 -3.761 1.088 173 HD13 LEU 45 3HD1 LEU 45 0.505 -5.204 1.632 174 HD21 LEU 45 3HD2 LEU 45 0.252 -3.963 -1.360 175 HD22 LEU 45 1HD2 LEU 45 -0.006 -5.618 -1.882 176 HD23 LEU 45 2HD2 LEU 45 -0.712 -5.075 -0.360 177 H LYS 46 H LYS 46 5.485 -5.424 -2.730 178 HA LYS 46 HA LYS 46 6.069 -3.054 -4.359 179 HB2 LYS 46 2HB LYS 46 7.405 -5.679 -3.722 180 HB3 LYS 46 3HB LYS 46 7.847 -4.953 -5.245 181 HG2 LYS 46 2HG LYS 46 7.924 -3.349 -2.704 182 HG3 LYS 46 3HG LYS 46 9.273 -4.387 -3.170 183 HD2 LYS 46 2HD LYS 46 9.603 -3.188 -5.248 184 HD3 LYS 46 3HD LYS 46 8.123 -2.250 -4.995 185 HE2 LYS 46 2HE LYS 46 9.059 -1.073 -3.121 186 HE3 LYS 46 3HE LYS 46 10.506 -2.093 -3.117 187 HZ1 LYS 46 3HZ LYS 46 9.763 -0.244 -5.349 188 HZ2 LYS 46 1HZ LYS 46 10.819 0.122 -4.217 189 HZ3 LYS 46 2HZ LYS 46 11.148 -1.121 -5.234 190 H ASP 47 H ASP 47 5.589 -6.414 -5.368 191 HA ASP 47 HA ASP 47 5.446 -5.890 -8.119 192 HB2 ASP 47 2HB ASP 47 5.592 -8.155 -7.179 193 HB3 ASP 47 3HB ASP 47 4.061 -8.007 -6.383 194 H LEU 48 H LEU 48 2.536 -6.123 -6.017 195 HA LEU 48 HA LEU 48 0.976 -5.281 -8.201 196 HG LEU 48 HG LEU 48 -1.333 -4.310 -7.695 197 HB2 LEU 48 2HB LEU 48 -0.170 -6.208 -6.340 198 HB3 LEU 48 3HB LEU 48 0.386 -4.949 -5.229 199 HD11 LEU 48 1HD1 LEU 48 -2.546 -5.842 -6.387 200 HD12 LEU 48 2HD1 LEU 48 -2.254 -4.917 -4.866 201 HD13 LEU 48 3HD1 LEU 48 -3.276 -4.262 -6.155 202 HD21 LEU 48 3HD2 LEU 48 -2.120 -2.477 -6.068 203 HD22 LEU 48 1HD2 LEU 48 -0.604 -2.839 -5.194 204 HD23 LEU 48 2HD2 LEU 48 -0.613 -2.295 -6.905 205 H ALA 49 H ALA 49 2.534 -3.238 -5.641 206 HA ALA 49 HA ALA 49 1.484 -0.803 -6.535 207 HB1 ALA 49 1HB ALA 49 4.102 -1.646 -5.276 208 HB2 ALA 49 2HB ALA 49 3.817 0.027 -5.726 209 HB3 ALA 49 3HB ALA 49 2.711 -0.758 -4.561 210 H ARG 50 H ARG 50 4.202 -2.660 -7.888 211 HA ARG 50 HA ARG 50 4.959 -0.588 -9.710 212 HE ARG 50 HE ARG 50 8.278 0.188 -7.140 213 HB2 ARG 50 2HB ARG 50 5.577 -3.564 -9.973 214 HB3 ARG 50 3HB ARG 50 6.436 -2.258 -10.746 215 HG2 ARG 50 2HG ARG 50 6.722 -3.418 -8.104 216 HG3 ARG 50 3HG ARG 50 7.915 -2.625 -8.988 217 HD2 ARG 50 2HD ARG 50 5.875 -0.944 -7.527 218 HD3 ARG 50 3HD ARG 50 7.096 -1.754 -6.671 219 HH11 ARG 50 2HH2 ARG 50 6.850 -0.538 -10.277 220 HH12 ARG 50 1HH2 ARG 50 7.649 0.844 -10.977 221 HH21 ARG 50 1HH1 ARG 50 9.201 1.721 -8.045 222 HH22 ARG 50 2HH1 ARG 50 8.993 2.095 -9.757 223 H GLU 51 H GLU 51 2.681 -3.234 -9.841 224 HA GLU 51 HA GLU 51 1.829 -3.107 -12.591 225 HB2 GLU 51 2HB GLU 51 0.044 -3.667 -10.190 226 HB3 GLU 51 3HB GLU 51 -0.399 -3.864 -11.788 227 HG2 GLU 51 2HG GLU 51 2.034 -5.225 -10.620 228 HG3 GLU 51 3HG GLU 51 0.512 -5.917 -10.347 229 H ASN 52 H ASN 52 0.899 -1.356 -9.788 230 HA ASN 52 HA ASN 52 -1.343 0.006 -11.037 231 HB2 ASN 52 2HB ASN 52 -0.219 -0.702 -8.370 232 HB3 ASN 52 3HB ASN 52 -1.005 0.782 -8.384 233 HD21 ASN 52 2HD2 ASN 52 -1.388 -2.638 -9.002 234 HD22 ASN 52 1HD2 ASN 52 -3.121 -2.632 -8.710 235 H SER 53 H SER 53 1.847 0.971 -10.069 236 HA SER 53 HA SER 53 3.000 2.605 -11.362 237 HG SER 53 HG SER 53 0.174 3.278 -12.586 238 HB2 SER 53 2HB SER 53 0.692 4.510 -10.818 239 HB3 SER 53 3HB SER 53 2.241 4.897 -11.568 240 H LEU 54 H LEU 54 2.236 1.864 -8.368 241 HA LEU 54 HA LEU 54 3.230 4.223 -6.922 242 HG LEU 54 HG LEU 54 0.688 3.157 -5.077 243 HB2 LEU 54 2HB LEU 54 1.992 1.639 -6.173 244 HB3 LEU 54 3HB LEU 54 3.362 1.990 -5.216 245 HD11 LEU 54 1HD1 LEU 54 1.449 3.211 -2.612 246 HD12 LEU 54 2HD1 LEU 54 1.569 1.615 -3.360 247 HD13 LEU 54 3HD1 LEU 54 3.006 2.615 -3.131 248 HD21 LEU 54 3HD2 LEU 54 3.167 4.836 -4.539 249 HD22 LEU 54 1HD2 LEU 54 1.824 5.218 -5.653 250 HD23 LEU 54 2HD2 LEU 54 1.550 5.210 -3.913 251 H GLU 55 H GLU 55 4.796 4.142 -5.586 252 HA GLU 55 HA GLU 55 6.832 2.205 -5.165 253 HB2 GLU 55 2HB GLU 55 7.664 3.345 -7.221 254 HB3 GLU 55 3HB GLU 55 7.412 4.910 -6.479 255 HG2 GLU 55 2HG GLU 55 9.650 4.478 -6.302 256 HG3 GLU 55 3HG GLU 55 9.065 4.361 -4.692 257 H THR 56 H THR 56 7.484 2.723 -2.927 258 HA THR 56 HA THR 56 7.071 5.537 -1.987 259 HB THR 56 HB THR 56 6.117 4.865 0.050 260 HG1 THR 56 1HG THR 56 5.925 2.705 0.631 261 HG21 THR 56 1HG2 THR 56 4.724 3.071 -1.926 262 HG22 THR 56 2HG2 THR 56 4.022 3.870 -0.504 263 HG23 THR 56 3HG2 THR 56 4.517 4.826 -1.888 264 H THR 57 H THR 57 8.067 5.128 0.653 265 HA THR 57 HA THR 57 10.962 4.830 0.281 266 HB THR 57 HB THR 57 9.457 4.691 2.925 267 HG1 THR 57 1HG THR 57 8.694 6.499 2.216 268 HG21 THR 57 1HG2 THR 57 11.849 4.250 3.083 269 HG22 THR 57 2HG2 THR 57 12.208 5.768 2.214 270 HG23 THR 57 3HG2 THR 57 11.451 5.805 3.828 271 H PHE 58 H PHE 58 8.252 3.018 1.665 272 HA PHE 58 HA PHE 58 9.407 0.397 1.641 273 HD1 PHE 58 HD1 PHE 58 8.774 3.443 4.791 274 HD2 PHE 58 HD2 PHE 58 9.450 -0.772 5.418 275 HE1 PHE 58 HE1 PHE 58 7.639 3.577 7.011 276 HE2 PHE 58 HE2 PHE 58 8.307 -0.632 7.609 277 HZ PHE 58 HZ PHE 58 7.384 1.537 8.401 278 HB2 PHE 58 2HB PHE 58 10.493 0.364 3.604 279 HB3 PHE 58 3HB PHE 58 10.529 2.086 3.544 280 H SER 59 H SER 59 8.137 -1.088 3.066 281 HA SER 59 HA SER 59 5.653 -0.015 4.214 282 HG SER 59 HG SER 59 3.570 -2.581 2.789 283 HB2 SER 59 2HB SER 59 4.819 -0.786 2.151 284 HB3 SER 59 3HB SER 59 5.755 -2.256 2.243 285 H SER 60 H SER 60 5.085 -0.996 6.048 286 HA SER 60 HA SER 60 6.652 -3.229 7.236 287 HG SER 60 HG SER 60 5.865 -1.079 9.853 288 HB2 SER 60 2HB SER 60 4.330 -1.500 8.154 289 HB3 SER 60 3HB SER 60 4.851 -2.950 9.048 290 H VAL 61 H VAL 61 6.186 -5.171 6.333 291 HA VAL 61 HA VAL 61 3.378 -6.127 6.250 292 HB VAL 61 HB VAL 61 5.156 -7.196 4.100 293 HG11 VAL 61 1HG1 VAL 61 2.223 -6.374 3.996 294 HG12 VAL 61 2HG1 VAL 61 3.072 -7.387 2.841 295 HG13 VAL 61 3HG1 VAL 61 2.745 -7.988 4.471 296 HG21 VAL 61 3HG2 VAL 61 5.535 -4.834 3.679 297 HG22 VAL 61 1HG2 VAL 61 4.432 -5.499 2.463 298 HG23 VAL 61 2HG2 VAL 61 3.779 -4.538 3.795 299 H ASN 62 H ASN 62 3.362 -8.531 6.028 300 HA ASN 62 HA ASN 62 3.946 -10.662 6.531 301 HB2 ASN 62 2HB ASN 62 6.603 -9.652 7.605 302 HB3 ASN 62 3HB ASN 62 6.111 -11.326 7.499 303 HD21 ASN 62 1HD2 ASN 62 7.337 -8.596 5.696 304 HD22 ASN 62 2HD2 ASN 62 7.709 -9.560 4.266 305 H THR 63 H THR 63 3.481 -8.090 8.590 306 HA THR 63 HA THR 63 3.403 -9.063 11.202 307 HB THR 63 HB THR 63 1.288 -7.345 9.834 308 HG1 THR 63 1HG THR 63 2.628 -5.627 10.348 309 HG21 THR 63 1HG2 THR 63 0.697 -7.925 12.162 310 HG22 THR 63 2HG2 THR 63 2.301 -7.386 12.713 311 HG23 THR 63 3HG2 THR 63 1.140 -6.222 12.038 312 H ARG 64 H ARG 64 2.220 -10.601 12.250 313 HA ARG 64 HA ARG 64 0.075 -12.108 10.943 314 HE ARG 64 HE ARG 64 0.982 -14.211 10.366 315 HB2 ARG 64 2HB ARG 64 1.792 -13.093 12.562 316 HB3 ARG 64 3HB ARG 64 0.944 -12.248 13.852 317 HG2 ARG 64 2HG ARG 64 -0.193 -14.201 14.016 318 HG3 ARG 64 3HG ARG 64 -1.190 -13.539 12.725 319 HD2 ARG 64 2HD ARG 64 1.129 -15.496 12.446 320 HD3 ARG 64 3HD ARG 64 -0.580 -15.877 12.317 321 HH11 ARG 64 1HH2 ARG 64 -1.700 -16.461 10.828 322 HH12 ARG 64 2HH2 ARG 64 -2.067 -16.436 9.105 323 HH21 ARG 64 2HH1 ARG 64 0.363 -14.275 8.246 324 HH22 ARG 64 1HH1 ARG 64 -0.831 -15.400 7.710 325 H ASP 65 H ASP 65 -0.927 -10.035 10.506 326 HA ASP 65 HA ASP 65 -2.774 -8.778 12.400 327 HB2 ASP 65 2HB ASP 65 -1.623 -7.967 10.135 328 HB3 ASP 65 3HB ASP 65 -2.933 -8.828 9.378 329 H PHE 66 H PHE 66 -5.043 -9.049 10.296 330 HA PHE 66 HA PHE 66 -6.476 -11.324 11.131 331 HD1 PHE 66 HD1 PHE 66 -7.738 -12.344 7.647 332 HD2 PHE 66 HD2 PHE 66 -5.707 -8.542 7.700 333 HE1 PHE 66 HE1 PHE 66 -7.112 -12.648 5.261 334 HE2 PHE 66 HE2 PHE 66 -5.101 -8.852 5.292 335 HZ PHE 66 HZ PHE 66 -5.801 -10.894 4.091 336 HB2 PHE 66 2HB PHE 66 -8.001 -10.780 9.517 337 HB3 PHE 66 3HB PHE 66 -7.140 -9.254 9.592 338 H ASP 67 H ASP 67 -4.042 -10.995 8.595 339 HA ASP 67 HA ASP 67 -3.001 -13.586 9.071 340 HB2 ASP 67 2HB ASP 67 -4.928 -14.163 7.431 341 HB3 ASP 67 3HB ASP 67 -3.995 -13.308 6.201 342 H GLY 68 H GLY 68 -3.186 -11.133 6.403 343 HA2 GLY 68 2HA GLY 68 -0.528 -10.137 7.100 344 HA3 GLY 68 3HA GLY 68 -0.569 -10.964 5.560 345 H THR 69 H THR 69 -0.642 -8.150 6.940 346 HA THR 69 HA THR 69 -2.047 -6.556 4.799 347 HB THR 69 HB THR 69 -2.625 -4.958 6.486 348 HG1 THR 69 1HG THR 69 -2.235 -5.654 8.749 349 HG21 THR 69 1HG2 THR 69 -3.356 -7.647 7.688 350 HG22 THR 69 2HG2 THR 69 -4.324 -6.154 7.635 351 HG23 THR 69 3HG2 THR 69 -4.007 -7.120 6.167 352 H GLY 70 H GLY 70 -1.093 -4.537 4.355 353 HA2 GLY 70 2HA GLY 70 1.831 -4.312 5.000 354 HA3 GLY 70 3HA GLY 70 1.143 -3.823 3.468 355 H ALA 71 H ALA 71 2.651 -2.161 5.183 356 HA ALA 71 HA ALA 71 0.718 0.060 5.162 357 HB1 ALA 71 1HB ALA 71 1.253 0.714 7.468 358 HB2 ALA 71 2HB ALA 71 0.586 -0.916 7.466 359 HB3 ALA 71 3HB ALA 71 2.336 -0.676 7.658 360 H LEU 72 H LEU 72 1.559 1.493 3.896 361 HA LEU 72 HA LEU 72 4.440 1.398 3.185 362 HG LEU 72 HG LEU 72 2.321 1.424 -0.006 363 HB2 LEU 72 2HB LEU 72 2.111 2.723 1.884 364 HB3 LEU 72 3HB LEU 72 3.691 2.899 1.394 365 HD11 LEU 72 1HD1 LEU 72 4.245 -0.364 -0.020 366 HD12 LEU 72 2HD1 LEU 72 4.462 1.263 -0.617 367 HD13 LEU 72 3HD1 LEU 72 5.068 0.853 0.980 368 HD21 LEU 72 3HD2 LEU 72 1.149 0.173 1.670 369 HD22 LEU 72 1HD2 LEU 72 2.027 -0.906 0.566 370 HD23 LEU 72 2HD2 LEU 72 2.635 -0.595 2.203 371 H GLU 73 H GLU 73 5.628 3.360 3.079 372 HA GLU 73 HA GLU 73 4.303 5.922 4.144 373 HB2 GLU 73 2HB GLU 73 5.481 4.774 5.980 374 HB3 GLU 73 3HB GLU 73 6.916 4.625 4.973 375 HG2 GLU 73 2HG GLU 73 7.332 6.277 6.581 376 HG3 GLU 73 3HG GLU 73 7.222 7.095 5.022 377 H PHE 74 H PHE 74 5.163 7.904 3.518 378 HA PHE 74 HA PHE 74 7.622 8.004 1.976 379 HD1 PHE 74 HD1 PHE 74 7.783 6.873 -0.224 380 HD2 PHE 74 HD2 PHE 74 6.640 10.927 -0.779 381 HE1 PHE 74 HE1 PHE 74 9.710 7.167 -1.798 382 HE2 PHE 74 HE2 PHE 74 8.542 11.281 -2.332 383 HZ PHE 74 HZ PHE 74 10.088 9.398 -2.841 384 HB2 PHE 74 2HB PHE 74 5.350 7.848 0.386 385 HB3 PHE 74 3HB PHE 74 5.427 9.552 0.701 386 HA PRO 75 HA PRO 75 7.804 12.062 3.859 387 HB2 PRO 75 2HB PRO 75 9.602 13.386 2.213 388 HB3 PRO 75 3HB PRO 75 10.029 12.172 3.460 389 HG2 PRO 75 2HG PRO 75 9.572 11.702 0.500 390 HG3 PRO 75 3HG PRO 75 10.984 11.206 1.489 391 HD2 PRO 75 2HD PRO 75 9.041 9.451 1.034 392 HD3 PRO 75 3HD PRO 75 9.684 9.597 2.684 393 H SER 76 H SER 76 6.082 11.549 0.986 394 HA SER 76 HA SER 76 5.172 14.406 0.714 395 HG SER 76 HG SER 76 7.797 13.857 -1.794 396 HB2 SER 76 2HB SER 76 5.725 12.659 -1.585 397 HB3 SER 76 3HB SER 76 5.669 14.427 -1.518 398 H GLU 77 H GLU 77 3.054 14.427 0.937 399 HA GLU 77 HA GLU 77 1.398 12.145 0.903 400 HB2 GLU 77 2HB GLU 77 -0.484 13.689 1.087 401 HB3 GLU 77 3HB GLU 77 0.836 14.067 2.176 402 HG2 GLU 77 2HG GLU 77 1.584 15.800 0.387 403 HG3 GLU 77 3HG GLU 77 -0.003 15.540 -0.341 404 H GLU 78 H GLU 78 2.516 13.878 -1.851 405 HA GLU 78 HA GLU 78 0.478 13.353 -3.740 406 HB2 GLU 78 2HB GLU 78 3.470 13.034 -4.203 407 HB3 GLU 78 3HB GLU 78 2.213 13.336 -5.402 408 HG2 GLU 78 2HG GLU 78 2.830 15.513 -5.172 409 HG3 GLU 78 3HG GLU 78 1.773 15.465 -3.745 410 H ILE 79 H ILE 79 2.993 11.133 -2.549 411 HA ILE 79 HA ILE 79 2.184 8.917 -4.218 412 HB ILE 79 HB ILE 79 3.863 8.846 -1.686 413 HG12 ILE 79 2HG1 ILE 79 4.487 10.055 -4.274 414 HG13 ILE 79 3HG1 ILE 79 5.127 10.378 -2.728 415 HG21 ILE 79 1HG2 ILE 79 3.955 7.041 -4.134 416 HG22 ILE 79 2HG2 ILE 79 4.897 6.883 -2.646 417 HG23 ILE 79 3HG2 ILE 79 3.157 6.629 -2.593 418 HD11 ILE 79 3HD1 ILE 79 5.938 8.198 -4.726 419 HD12 ILE 79 1HD1 ILE 79 6.880 9.609 -4.234 420 HD13 ILE 79 2HD1 ILE 79 6.609 8.279 -3.089 421 H LEU 80 H LEU 80 1.412 9.945 -0.942 422 HA LEU 80 HA LEU 80 -0.021 7.695 -0.011 423 HG LEU 80 HG LEU 80 -2.408 10.199 0.864 424 HB2 LEU 80 2HB LEU 80 0.428 9.295 1.576 425 HB3 LEU 80 3HB LEU 80 0.022 10.635 0.556 426 HD11 LEU 80 1HD1 LEU 80 -1.494 8.334 3.065 427 HD12 LEU 80 2HD1 LEU 80 -3.160 8.760 2.627 428 HD13 LEU 80 3HD1 LEU 80 -2.187 7.787 1.520 429 HD21 LEU 80 3HD2 LEU 80 -1.311 11.879 2.209 430 HD22 LEU 80 1HD2 LEU 80 -2.465 10.985 3.213 431 HD23 LEU 80 2HD2 LEU 80 -0.726 10.642 3.340 432 H VAL 81 H VAL 81 -1.093 10.623 -1.775 433 HA VAL 81 HA VAL 81 -3.919 9.913 -1.747 434 HB VAL 81 HB VAL 81 -2.278 12.062 -3.183 435 HG11 VAL 81 1HG1 VAL 81 -4.238 11.694 -4.610 436 HG12 VAL 81 2HG1 VAL 81 -5.316 11.756 -3.199 437 HG13 VAL 81 3HG1 VAL 81 -4.433 13.205 -3.726 438 HG21 VAL 81 3HG2 VAL 81 -2.590 12.306 -0.711 439 HG22 VAL 81 1HG2 VAL 81 -3.389 13.596 -1.619 440 HG23 VAL 81 2HG2 VAL 81 -4.347 12.253 -0.948 441 H GLU 82 H GLU 82 -1.276 9.609 -4.070 442 HA GLU 82 HA GLU 82 -2.686 8.535 -6.210 443 HB2 GLU 82 2HB GLU 82 -0.002 8.504 -4.881 444 HB3 GLU 82 3HB GLU 82 -0.332 7.133 -5.776 445 HG2 GLU 82 2HG GLU 82 -0.153 10.010 -6.622 446 HG3 GLU 82 3HG GLU 82 0.902 8.681 -7.097 447 H ALA 83 H ALA 83 -0.987 6.558 -3.641 448 HA ALA 83 HA ALA 83 -2.303 4.112 -4.266 449 HB1 ALA 83 1HB ALA 83 -1.570 3.352 -2.111 450 HB2 ALA 83 2HB ALA 83 -0.340 4.399 -2.844 451 HB3 ALA 83 3HB ALA 83 -1.359 5.031 -1.529 452 H LEU 84 H LEU 84 -3.628 6.687 -2.227 453 HA LEU 84 HA LEU 84 -5.914 5.120 -1.189 454 HG LEU 84 HG LEU 84 -4.132 7.954 0.294 455 HB2 LEU 84 2HB LEU 84 -5.545 8.150 -1.417 456 HB3 LEU 84 3HB LEU 84 -6.865 7.371 -0.646 457 HD11 LEU 84 1HD1 LEU 84 -6.127 9.112 1.044 458 HD12 LEU 84 2HD1 LEU 84 -6.808 7.585 1.660 459 HD13 LEU 84 3HD1 LEU 84 -5.336 8.272 2.381 460 HD21 LEU 84 3HD2 LEU 84 -5.550 5.390 0.970 461 HD22 LEU 84 1HD2 LEU 84 -3.892 5.581 0.394 462 HD23 LEU 84 2HD2 LEU 84 -4.291 6.153 2.033 463 H GLU 85 H GLU 85 -5.333 7.035 -4.107 464 HA GLU 85 HA GLU 85 -8.123 6.476 -4.877 465 HB2 GLU 85 2HB GLU 85 -5.915 8.113 -6.200 466 HB3 GLU 85 3HB GLU 85 -7.537 7.902 -6.880 467 HG2 GLU 85 2HG GLU 85 -8.551 9.034 -4.987 468 HG3 GLU 85 3HG GLU 85 -6.986 9.210 -4.196 469 H ARG 86 H ARG 86 -5.081 4.899 -5.228 470 HA ARG 86 HA ARG 86 -5.656 3.843 -7.961 471 HE ARG 86 HE ARG 86 -2.874 7.641 -9.415 472 HB2 ARG 86 2HB ARG 86 -3.217 4.680 -6.415 473 HB3 ARG 86 3HB ARG 86 -2.993 3.327 -7.290 474 HG2 ARG 86 2HG ARG 86 -2.329 5.277 -8.604 475 HG3 ARG 86 3HG ARG 86 -3.729 4.558 -9.419 476 HD2 ARG 86 2HD ARG 86 -5.251 6.153 -8.399 477 HD3 ARG 86 3HD ARG 86 -3.949 6.771 -7.363 478 HH11 ARG 86 1HH1 ARG 86 -6.363 7.693 -8.972 479 HH12 ARG 86 2HH1 ARG 86 -6.351 9.408 -8.639 480 HH21 ARG 86 1HH2 ARG 86 -3.048 9.847 -9.320 481 HH22 ARG 86 2HH2 ARG 86 -4.636 10.597 -9.258 482 H LEU 87 H LEU 87 -4.792 2.907 -4.641 483 HA LEU 87 HA LEU 87 -5.076 0.077 -5.303 484 HG LEU 87 HG LEU 87 -3.022 -0.564 -5.350 485 HB2 LEU 87 2HB LEU 87 -3.369 1.583 -3.355 486 HB3 LEU 87 3HB LEU 87 -3.830 -0.053 -3.081 487 HD11 LEU 87 1HD1 LEU 87 -1.227 1.000 -6.262 488 HD12 LEU 87 2HD1 LEU 87 -2.949 1.106 -6.673 489 HD13 LEU 87 3HD1 LEU 87 -2.214 2.236 -5.467 490 HD21 LEU 87 3HD2 LEU 87 -0.927 0.583 -3.469 491 HD22 LEU 87 1HD2 LEU 87 -1.595 -1.071 -3.421 492 HD23 LEU 87 2HD2 LEU 87 -0.602 -0.567 -4.794 493 H ASN 88 H ASN 88 -7.086 2.425 -4.157 494 HA ASN 88 HA ASN 88 -8.027 0.915 -1.868 495 HB2 ASN 88 2HB ASN 88 -7.927 3.394 -1.822 496 HB3 ASN 88 3HB ASN 88 -9.261 3.427 -2.992 497 HD21 ASN 88 2HD2 ASN 88 -10.612 4.470 -1.421 498 HD22 ASN 88 1HD2 ASN 88 -11.101 3.649 0.048 499 H ASN 89 H ASN 89 -9.143 -0.807 -2.091 500 HA ASN 89 HA ASN 89 -10.595 -2.357 -2.631 501 HB2 ASN 89 2HB ASN 89 -12.057 -0.475 -1.762 502 HB3 ASN 89 3HB ASN 89 -12.641 -0.295 -3.418 503 HD21 ASN 89 1HD2 ASN 89 -12.226 -2.485 -0.632 504 HD22 ASN 89 2HD2 ASN 89 -13.561 -3.552 -1.052 505 H ILE 90 H ILE 90 -8.686 -2.172 -4.293 506 HA ILE 90 HA ILE 90 -9.794 -2.638 -7.044 507 HB ILE 90 HB ILE 90 -7.552 -2.155 -7.980 508 HG12 ILE 90 2HG1 ILE 90 -6.022 -0.878 -6.702 509 HG13 ILE 90 3HG1 ILE 90 -6.651 -1.604 -5.204 510 HG21 ILE 90 1HG2 ILE 90 -7.758 0.228 -7.776 511 HG22 ILE 90 2HG2 ILE 90 -9.398 -0.389 -7.562 512 HG23 ILE 90 3HG2 ILE 90 -8.449 0.115 -6.137 513 HD11 ILE 90 3HD1 ILE 90 -5.733 -3.744 -5.909 514 HD12 ILE 90 1HD1 ILE 90 -5.482 -3.137 -7.570 515 HD13 ILE 90 2HD1 ILE 90 -4.524 -2.493 -6.231 516 H GLU 91 H GLU 91 -9.314 -4.458 -8.116 517 HA GLU 91 HA GLU 91 -8.645 -6.800 -6.556 518 HB2 GLU 91 2HB GLU 91 -10.269 -6.785 -8.432 519 HB3 GLU 91 3HB GLU 91 -8.888 -6.476 -9.472 520 HG2 GLU 91 2HG GLU 91 -7.957 -8.678 -8.259 521 HG3 GLU 91 3HG GLU 91 -9.665 -8.992 -8.041 522 H PHE 92 H PHE 92 -6.783 -7.217 -5.904 523 HA PHE 92 HA PHE 92 -4.296 -6.500 -7.203 524 HD1 PHE 92 HD1 PHE 92 -2.207 -8.425 -6.832 525 HD2 PHE 92 HD2 PHE 92 -3.182 -7.166 -2.815 526 HE1 PHE 92 HE1 PHE 92 0.093 -8.937 -6.101 527 HE2 PHE 92 HE2 PHE 92 -0.887 -7.727 -2.095 528 HZ PHE 92 HZ PHE 92 0.751 -8.563 -3.764 529 HB2 PHE 92 2HB PHE 92 -4.588 -6.471 -4.743 530 HB3 PHE 92 3HB PHE 92 -4.989 -8.074 -4.678 531 H ARG 93 H ARG 93 -5.127 -7.653 -9.143 532 HA ARG 93 HA ARG 93 -5.068 -9.321 -10.667 533 HE ARG 93 HE ARG 93 -0.322 -8.930 -12.032 534 HB2 ARG 93 2HB ARG 93 -2.639 -8.689 -9.882 535 HB3 ARG 93 3HB ARG 93 -2.616 -10.316 -9.210 536 HG2 ARG 93 2HG ARG 93 -3.381 -11.012 -11.682 537 HG3 ARG 93 3HG ARG 93 -2.826 -9.403 -12.119 538 HD2 ARG 93 2HD ARG 93 -1.151 -11.502 -10.671 539 HD3 ARG 93 3HD ARG 93 -1.154 -11.270 -12.414 540 HH11 ARG 93 1HH1 ARG 93 0.345 -11.204 -9.380 541 HH12 ARG 93 2HH1 ARG 93 1.805 -10.282 -8.992 542 HH21 ARG 93 2HH2 ARG 93 1.482 -8.062 -11.504 543 HH22 ARG 93 1HH2 ARG 93 2.500 -8.667 -10.180 544 H GLY 94 H GLY 94 -6.580 -10.201 -8.218 545 HA2 GLY 94 2HA GLY 94 -7.562 -12.672 -8.517 546 HA3 GLY 94 3HA GLY 94 -5.950 -13.079 -7.924 547 H SER 95 H SER 95 -5.897 -10.576 -6.104 548 HA SER 95 HA SER 95 -7.861 -11.403 -4.014 549 HG SER 95 HG SER 95 -5.774 -12.418 -2.563 550 HB2 SER 95 2HB SER 95 -5.148 -10.002 -3.854 551 HB3 SER 95 3HB SER 95 -6.235 -10.323 -2.484 552 H VAL 96 H VAL 96 -7.853 -8.989 -2.703 553 HA VAL 96 HA VAL 96 -7.799 -6.747 -4.528 554 HB VAL 96 HB VAL 96 -9.872 -6.421 -5.028 555 HG11 VAL 96 1HG1 VAL 96 -10.767 -8.592 -3.187 556 HG12 VAL 96 2HG1 VAL 96 -11.790 -7.707 -4.354 557 HG13 VAL 96 3HG1 VAL 96 -10.433 -8.654 -4.956 558 HG21 VAL 96 3HG2 VAL 96 -11.506 -5.502 -3.593 559 HG22 VAL 96 1HG2 VAL 96 -10.578 -5.967 -2.160 560 HG23 VAL 96 2HG2 VAL 96 -9.931 -4.784 -3.318 561 H ILE 97 H ILE 97 -7.501 -4.813 -3.327 562 HA ILE 97 HA ILE 97 -7.168 -5.095 -0.361 563 HB ILE 97 HB ILE 97 -5.410 -3.265 -0.655 564 HG12 ILE 97 2HG1 ILE 97 -5.190 -4.580 -3.404 565 HG13 ILE 97 3HG1 ILE 97 -5.691 -2.916 -3.102 566 HG21 ILE 97 1HG2 ILE 97 -5.043 -5.554 0.225 567 HG22 ILE 97 2HG2 ILE 97 -4.588 -6.053 -1.407 568 HG23 ILE 97 3HG2 ILE 97 -3.632 -4.824 -0.525 569 HD11 ILE 97 3HD1 ILE 97 -2.943 -4.133 -2.657 570 HD12 ILE 97 1HD1 ILE 97 -3.411 -2.900 -3.839 571 HD13 ILE 97 2HD1 ILE 97 -3.401 -2.493 -2.105 572 H THR 98 H THR 98 -7.448 -3.304 0.844 573 HA THR 98 HA THR 98 -8.854 -0.897 -0.272 574 HB THR 98 HB THR 98 -9.259 -2.476 2.266 575 HG1 THR 98 1HG THR 98 -10.398 -3.307 0.571 576 HG21 THR 98 1HG2 THR 98 -10.706 0.097 1.519 577 HG22 THR 98 2HG2 THR 98 -10.947 -0.909 2.972 578 HG23 THR 98 3HG2 THR 98 -9.446 0.002 2.760 579 H VAL 99 H VAL 99 -7.969 1.006 0.520 580 HA VAL 99 HA VAL 99 -5.697 0.794 2.411 581 HB VAL 99 HB VAL 99 -4.092 1.761 0.962 582 HG11 VAL 99 1HG1 VAL 99 -3.780 0.012 -0.683 583 HG12 VAL 99 2HG1 VAL 99 -4.472 -0.707 0.774 584 HG13 VAL 99 3HG1 VAL 99 -5.483 -0.438 -0.629 585 HG21 VAL 99 3HG2 VAL 99 -4.628 2.067 -1.461 586 HG22 VAL 99 1HG2 VAL 99 -6.340 1.870 -1.023 587 HG23 VAL 99 2HG2 VAL 99 -5.400 3.236 -0.381 588 H GLU 100 H GLU 100 -5.110 2.521 3.429 589 HA GLU 100 HA GLU 100 -6.226 5.216 2.917 590 HB2 GLU 100 2HB GLU 100 -7.453 5.388 4.957 591 HB3 GLU 100 3HB GLU 100 -8.221 4.194 3.941 592 HG2 GLU 100 2HG GLU 100 -6.478 3.681 6.402 593 HG3 GLU 100 3HG GLU 100 -8.234 3.749 6.394 594 H ARG 101 H ARG 101 -5.436 6.798 4.320 595 HA ARG 101 HA ARG 101 -2.805 6.379 5.425 596 HE ARG 101 HE ARG 101 -5.044 9.796 8.147 597 HB2 ARG 101 2HB ARG 101 -3.203 8.553 6.523 598 HB3 ARG 101 3HB ARG 101 -3.278 8.557 4.799 599 HG2 ARG 101 2HG ARG 101 -4.898 10.004 5.799 600 HG3 ARG 101 3HG ARG 101 -5.606 8.784 4.738 601 HD2 ARG 101 2HD ARG 101 -7.022 9.095 6.595 602 HD3 ARG 101 3HD ARG 101 -6.325 7.497 6.709 603 HH11 ARG 101 1HH2 ARG 101 -6.460 6.609 8.601 604 HH12 ARG 101 2HH2 ARG 101 -6.278 6.699 10.334 605 HH21 ARG 101 2HH1 ARG 101 -4.695 9.743 10.274 606 HH22 ARG 101 1HH1 ARG 101 -5.059 8.306 11.207 607 H ASP 102 H ASP 102 -2.178 6.603 7.505 608 HA ASP 102 HA ASP 102 -4.049 5.612 9.615 609 HB2 ASP 102 2HB ASP 102 -2.648 3.814 8.235 610 HB3 ASP 102 3HB ASP 102 -1.396 4.275 9.376 611 H ASP 103 H ASP 103 -0.636 6.709 9.145 612 HA ASP 103 HA ASP 103 -0.538 7.667 11.942 613 HB2 ASP 103 2HB ASP 103 1.428 7.671 9.654 614 HB3 ASP 103 3HB ASP 103 1.669 8.723 11.024 615 H ASN 104 H ASN 104 -1.444 9.070 8.870 616 HA ASN 104 HA ASN 104 -1.635 11.779 10.133 617 HB2 ASN 104 2HB ASN 104 0.102 11.744 8.421 618 HB3 ASN 104 3HB ASN 104 -1.053 11.116 7.235 619 HD21 ASN 104 1HD2 ASN 104 -3.041 12.549 6.972 620 HD22 ASN 104 2HD2 ASN 104 -2.721 14.287 6.845 Start of MODEL 15 1 HA PRO 25 HA PRO 25 10.395 16.073 7.214 2 HB2 PRO 25 2HB PRO 25 9.699 14.829 4.514 3 HB3 PRO 25 3HB PRO 25 11.094 15.888 4.917 4 HG2 PRO 25 2HG PRO 25 11.099 13.078 4.997 5 HG3 PRO 25 3HG PRO 25 12.225 14.102 5.933 6 HD2 PRO 25 2HD PRO 25 10.226 12.389 7.043 7 HD3 PRO 25 3HD PRO 25 11.193 13.618 7.887 8 H ALA 26 H ALA 26 8.910 16.859 4.399 9 HA ALA 26 HA ALA 26 6.958 18.693 5.293 10 HB1 ALA 26 1HB ALA 26 7.926 18.626 3.020 11 HB2 ALA 26 2HB ALA 26 7.108 17.075 2.707 12 HB3 ALA 26 3HB ALA 26 6.152 18.552 2.952 13 H LYS 27 H LYS 27 6.702 15.310 4.434 14 HA LYS 27 HA LYS 27 4.507 14.865 6.317 15 HB2 LYS 27 2HB LYS 27 4.199 14.566 3.382 16 HB3 LYS 27 3HB LYS 27 3.985 13.036 4.176 17 HG2 LYS 27 2HG LYS 27 2.469 15.574 4.891 18 HG3 LYS 27 3HG LYS 27 1.906 14.221 3.914 19 HD2 LYS 27 2HD LYS 27 2.501 12.774 6.046 20 HD3 LYS 27 3HD LYS 27 2.373 14.312 6.897 21 HE2 LYS 27 2HE LYS 27 0.222 12.977 5.185 22 HE3 LYS 27 3HE LYS 27 0.294 12.980 6.952 23 HZ1 LYS 27 3HZ LYS 27 -1.195 14.644 6.293 24 HZ2 LYS 27 1HZ LYS 27 0.122 15.455 6.817 25 HZ3 LYS 27 2HZ LYS 27 -0.177 15.335 5.197 26 H ARG 28 H ARG 28 4.342 12.442 6.620 27 HA ARG 28 HA ARG 28 6.402 10.633 5.783 28 HE ARG 28 HE ARG 28 7.268 9.233 10.538 29 HB2 ARG 28 2HB ARG 28 7.338 10.133 8.050 30 HB3 ARG 28 3HB ARG 28 7.861 11.657 7.390 31 HG2 ARG 28 2HG ARG 28 6.713 12.944 8.905 32 HG3 ARG 28 3HG ARG 28 5.377 11.812 9.071 33 HD2 ARG 28 2HD ARG 28 8.166 11.321 10.115 34 HD3 ARG 28 3HD ARG 28 6.880 12.034 11.112 35 HH11 ARG 28 2HH2 ARG 28 4.542 11.428 11.113 36 HH12 ARG 28 1HH2 ARG 28 3.428 10.054 11.077 37 HH21 ARG 28 2HH1 ARG 28 5.656 7.638 10.634 38 HH22 ARG 28 1HH1 ARG 28 3.999 8.179 10.866 39 H TYR 29 H TYR 29 3.717 10.668 5.526 40 HA TYR 29 HA TYR 29 2.122 9.614 7.640 41 HD1 TYR 29 HD1 TYR 29 0.633 7.210 4.872 42 HD2 TYR 29 HD2 TYR 29 2.629 10.723 3.326 43 HE1 TYR 29 HE1 TYR 29 1.236 5.955 2.813 44 HE2 TYR 29 HE2 TYR 29 3.016 9.569 1.254 45 HH TYR 29 HH TYR 29 2.087 6.069 0.759 46 HB2 TYR 29 2HB TYR 29 0.425 9.435 5.946 47 HB3 TYR 29 3HB TYR 29 1.427 10.798 5.451 48 H ARG 30 H ARG 30 1.014 7.637 7.738 49 HA ARG 30 HA ARG 30 2.270 5.332 6.343 50 HE ARG 30 HE ARG 30 0.319 2.579 9.808 51 HB2 ARG 30 2HB ARG 30 2.912 5.824 8.844 52 HB3 ARG 30 3HB ARG 30 1.335 5.183 9.204 53 HG2 ARG 30 2HG ARG 30 3.507 3.747 7.595 54 HG3 ARG 30 3HG ARG 30 3.400 3.630 9.344 55 HD2 ARG 30 2HD ARG 30 1.077 2.820 7.573 56 HD3 ARG 30 3HD ARG 30 2.415 1.737 7.895 57 HH11 ARG 30 2HH2 ARG 30 3.402 0.892 9.540 58 HH12 ARG 30 1HH2 ARG 30 3.089 -0.019 10.988 59 HH21 ARG 30 1HH1 ARG 30 -0.001 1.447 11.503 60 HH22 ARG 30 2HH1 ARG 30 1.182 0.292 12.122 61 H ILE 31 H ILE 31 0.845 3.981 5.406 62 HA ILE 31 HA ILE 31 -2.080 4.207 6.021 63 HB ILE 31 HB ILE 31 -2.603 3.450 3.744 64 HG12 ILE 31 2HG1 ILE 31 0.312 3.857 3.076 65 HG13 ILE 31 3HG1 ILE 31 -0.483 2.281 3.259 66 HG21 ILE 31 1HG2 ILE 31 -0.962 5.986 3.706 67 HG22 ILE 31 2HG2 ILE 31 -2.202 5.503 2.536 68 HG23 ILE 31 3HG2 ILE 31 -2.660 5.823 4.193 69 HD11 ILE 31 3HD1 ILE 31 -2.064 2.919 1.412 70 HD12 ILE 31 1HD1 ILE 31 -0.993 4.315 1.092 71 HD13 ILE 31 2HD1 ILE 31 -0.372 2.669 0.935 72 H THR 32 H THR 32 -3.291 2.340 5.688 73 HA THR 32 HA THR 32 -1.832 -0.263 6.074 74 HB THR 32 HB THR 32 -4.497 0.764 7.084 75 HG1 THR 32 1HG THR 32 -3.486 0.617 9.048 76 HG21 THR 32 1HG2 THR 32 -3.375 -2.086 7.269 77 HG22 THR 32 2HG2 THR 32 -4.678 -1.466 8.309 78 HG23 THR 32 3HG2 THR 32 -4.923 -1.578 6.566 79 H MET 33 H MET 33 -2.563 -2.004 4.978 80 HA MET 33 HA MET 33 -4.673 -1.691 2.981 81 HB2 MET 33 2HB MET 33 -1.928 -2.842 2.253 82 HB3 MET 33 3HB MET 33 -3.244 -2.428 1.165 83 HG2 MET 33 2HG MET 33 -2.829 0.006 2.171 84 HG3 MET 33 3HG MET 33 -1.280 -0.663 2.608 85 HE1 MET 33 3HE MET 33 -0.253 -1.613 -1.260 86 HE2 MET 33 1HE MET 33 -0.195 -2.241 0.406 87 HE3 MET 33 2HE MET 33 -1.650 -2.468 -0.568 88 H LYS 34 H LYS 34 -6.056 -3.261 3.225 89 HA LYS 34 HA LYS 34 -5.251 -6.103 3.342 90 HB2 LYS 34 2HB LYS 34 -7.325 -6.080 5.252 91 HB3 LYS 34 3HB LYS 34 -5.810 -6.500 5.443 92 HG2 LYS 34 2HG LYS 34 -6.471 -4.941 7.203 93 HG3 LYS 34 3HG LYS 34 -5.527 -3.863 6.151 94 HD2 LYS 34 2HD LYS 34 -7.675 -3.300 4.932 95 HD3 LYS 34 3HD LYS 34 -8.560 -4.376 5.969 96 HE2 LYS 34 2HE LYS 34 -8.101 -2.973 7.922 97 HE3 LYS 34 3HE LYS 34 -7.035 -1.931 6.967 98 HZ1 LYS 34 3HZ LYS 34 -8.896 -1.246 5.630 99 HZ2 LYS 34 1HZ LYS 34 -9.938 -2.276 6.405 100 HZ3 LYS 34 2HZ LYS 34 -9.268 -0.967 7.150 101 H ASN 35 H ASN 35 -7.056 -7.523 3.131 102 HA ASN 35 HA ASN 35 -9.464 -6.738 3.790 103 HB2 ASN 35 2HB ASN 35 -9.890 -5.292 2.033 104 HB3 ASN 35 3HB ASN 35 -9.262 -6.339 0.788 105 HD21 ASN 35 1HD2 ASN 35 -10.670 -8.213 0.143 106 HD22 ASN 35 2HD2 ASN 35 -12.392 -7.914 0.192 107 H LEU 36 H LEU 36 -8.440 -8.775 0.983 108 HA LEU 36 HA LEU 36 -10.368 -10.874 1.546 109 HG LEU 36 HG LEU 36 -10.302 -12.651 -0.078 110 HB2 LEU 36 2HB LEU 36 -9.437 -10.143 -0.661 111 HB3 LEU 36 3HB LEU 36 -7.897 -10.868 -0.246 112 HD11 LEU 36 1HD1 LEU 36 -10.981 -11.530 -2.037 113 HD12 LEU 36 2HD1 LEU 36 -9.360 -11.630 -2.751 114 HD13 LEU 36 3HD1 LEU 36 -10.321 -13.100 -2.501 115 HD21 LEU 36 3HD2 LEU 36 -7.927 -13.476 0.216 116 HD22 LEU 36 1HD2 LEU 36 -8.784 -14.281 -1.098 117 HD23 LEU 36 2HD2 LEU 36 -7.597 -13.010 -1.449 118 HA PRO 37 HA PRO 37 -7.849 -13.451 4.356 119 HB2 PRO 37 2HB PRO 37 -8.849 -15.735 2.635 120 HB3 PRO 37 3HB PRO 37 -8.678 -15.644 4.417 121 HG2 PRO 37 2HG PRO 37 -11.091 -15.222 3.314 122 HG3 PRO 37 3HG PRO 37 -10.507 -14.067 4.563 123 HD2 PRO 37 2HD PRO 37 -10.377 -13.828 1.557 124 HD3 PRO 37 3HD PRO 37 -10.985 -12.616 2.735 125 H GLU 38 H GLU 38 -6.100 -12.368 3.432 126 HA GLU 38 HA GLU 38 -4.070 -13.846 1.797 127 HB2 GLU 38 2HB GLU 38 -5.290 -12.141 0.461 128 HB3 GLU 38 3HB GLU 38 -5.011 -10.942 1.723 129 HG2 GLU 38 2HG GLU 38 -3.607 -10.558 -0.204 130 HG3 GLU 38 3HG GLU 38 -2.650 -10.855 1.239 131 H GLY 39 H GLY 39 -1.952 -13.269 2.376 132 HA2 GLY 39 2HA GLY 39 -1.563 -11.597 4.831 133 HA3 GLY 39 3HA GLY 39 -0.810 -13.164 4.710 134 H CYS 40 H CYS 40 -0.743 -12.228 1.624 135 HA CYS 40 HA CYS 40 0.937 -11.838 0.245 136 HG CYS 40 HG CYS 40 0.323 -9.483 2.995 137 HB2 CYS 40 2HB CYS 40 1.245 -9.392 -0.110 138 HB3 CYS 40 3HB CYS 40 -0.416 -9.855 0.133 139 H SER 41 H SER 41 2.879 -9.524 0.781 140 HA SER 41 HA SER 41 4.631 -9.986 2.921 141 HG SER 41 HG SER 41 4.723 -12.470 2.050 142 HB2 SER 41 2HB SER 41 5.533 -11.109 0.237 143 HB3 SER 41 3HB SER 41 6.685 -10.528 1.457 144 H TRP 42 H TRP 42 6.618 -8.386 2.621 145 HA TRP 42 HA TRP 42 5.640 -6.051 1.358 146 HD1 TRP 42 HD1 TRP 42 10.087 -4.513 2.018 147 HE1 TRP 42 HE1 TRP 42 10.043 -2.288 0.745 148 HE3 TRP 42 HE3 TRP 42 5.067 -4.267 0.851 149 HZ2 TRP 42 HZ2 TRP 42 8.147 -0.766 -0.831 150 HZ3 TRP 42 HZ3 TRP 42 4.241 -2.557 -0.659 151 HH2 TRP 42 HH2 TRP 42 5.702 -0.839 -1.538 152 HB2 TRP 42 2HB TRP 42 7.280 -5.854 3.104 153 HB3 TRP 42 3HB TRP 42 8.503 -6.612 2.111 154 H GLN 43 H GLN 43 7.952 -8.477 0.085 155 HA GLN 43 HA GLN 43 8.321 -7.198 -2.336 156 HB2 GLN 43 2HB GLN 43 8.775 -9.471 -3.318 157 HB3 GLN 43 3HB GLN 43 9.638 -9.193 -1.806 158 HG2 GLN 43 2HG GLN 43 8.315 -10.709 -0.597 159 HG3 GLN 43 3HG GLN 43 6.936 -10.552 -1.674 160 HE21 GLN 43 1HE2 GLN 43 6.581 -12.147 -3.182 161 HE22 GLN 43 2HE2 GLN 43 7.810 -13.342 -3.614 162 H ASP 44 H ASP 44 5.409 -8.624 -1.352 163 HA ASP 44 HA ASP 44 4.402 -9.093 -4.091 164 HB2 ASP 44 2HB ASP 44 3.350 -9.544 -1.275 165 HB3 ASP 44 3HB ASP 44 2.446 -9.775 -2.727 166 H LEU 45 H LEU 45 3.740 -7.069 -1.201 167 HA LEU 45 HA LEU 45 1.699 -5.508 -2.542 168 HG LEU 45 HG LEU 45 1.327 -6.810 0.002 169 HB2 LEU 45 2HB LEU 45 3.307 -5.338 0.008 170 HB3 LEU 45 3HB LEU 45 2.319 -3.990 -0.508 171 HD11 LEU 45 1HD1 LEU 45 0.287 -5.619 1.998 172 HD12 LEU 45 2HD1 LEU 45 2.054 -5.534 1.988 173 HD13 LEU 45 3HD1 LEU 45 1.119 -4.117 1.453 174 HD21 LEU 45 3HD2 LEU 45 -0.212 -4.267 -0.688 175 HD22 LEU 45 1HD2 LEU 45 -0.199 -5.759 -1.614 176 HD23 LEU 45 2HD2 LEU 45 -0.969 -5.724 -0.022 177 H LYS 46 H LYS 46 5.194 -5.258 -2.295 178 HA LYS 46 HA LYS 46 5.604 -2.574 -3.558 179 HB2 LYS 46 2HB LYS 46 7.248 -3.965 -2.169 180 HB3 LYS 46 3HB LYS 46 7.274 -5.155 -3.468 181 HG2 LYS 46 2HG LYS 46 8.033 -2.247 -3.815 182 HG3 LYS 46 3HG LYS 46 9.177 -3.462 -3.287 183 HD2 LYS 46 2HD LYS 46 7.736 -3.684 -5.978 184 HD3 LYS 46 3HD LYS 46 9.206 -2.800 -5.668 185 HE2 LYS 46 2HE LYS 46 10.051 -4.821 -6.432 186 HE3 LYS 46 3HE LYS 46 10.110 -5.067 -4.686 187 HZ1 LYS 46 3HZ LYS 46 7.957 -6.344 -4.946 188 HZ2 LYS 46 1HZ LYS 46 8.049 -6.163 -6.574 189 HZ3 LYS 46 2HZ LYS 46 9.185 -6.994 -5.789 190 H ASP 47 H ASP 47 5.445 -5.973 -4.725 191 HA ASP 47 HA ASP 47 5.463 -5.096 -7.452 192 HB2 ASP 47 2HB ASP 47 5.036 -7.630 -6.029 193 HB3 ASP 47 3HB ASP 47 3.836 -7.435 -7.272 194 H LEU 48 H LEU 48 2.542 -5.793 -5.457 195 HA LEU 48 HA LEU 48 0.822 -4.778 -7.423 196 HG LEU 48 HG LEU 48 -1.384 -4.051 -6.895 197 HB2 LEU 48 2HB LEU 48 -0.093 -5.953 -5.640 198 HB3 LEU 48 3HB LEU 48 0.352 -4.718 -4.453 199 HD11 LEU 48 1HD1 LEU 48 -2.332 -5.148 -4.239 200 HD12 LEU 48 2HD1 LEU 48 -3.383 -4.296 -5.378 201 HD13 LEU 48 3HD1 LEU 48 -2.602 -5.778 -5.901 202 HD21 LEU 48 3HD2 LEU 48 -2.325 -2.469 -5.047 203 HD22 LEU 48 1HD2 LEU 48 -0.738 -2.733 -4.306 204 HD23 LEU 48 2HD2 LEU 48 -0.895 -2.077 -5.969 205 H ALA 49 H ALA 49 2.299 -2.833 -4.783 206 HA ALA 49 HA ALA 49 1.163 -0.374 -5.442 207 HB1 ALA 49 1HB ALA 49 2.338 -0.715 -3.451 208 HB2 ALA 49 2HB ALA 49 3.824 -1.254 -4.296 209 HB3 ALA 49 3HB ALA 49 3.334 0.444 -4.336 210 H ARG 50 H ARG 50 4.001 -1.936 -6.872 211 HA ARG 50 HA ARG 50 4.526 0.245 -8.741 212 HE ARG 50 HE ARG 50 8.379 0.602 -6.099 213 HB2 ARG 50 2HB ARG 50 5.759 -2.500 -8.257 214 HB3 ARG 50 3HB ARG 50 6.235 -1.427 -9.575 215 HG2 ARG 50 2HG ARG 50 7.759 -0.840 -7.954 216 HG3 ARG 50 3HG ARG 50 6.505 0.389 -7.791 217 HD2 ARG 50 2HD ARG 50 5.665 -0.520 -5.784 218 HD3 ARG 50 3HD ARG 50 6.992 -1.685 -5.785 219 HH11 ARG 50 1HH1 ARG 50 5.823 0.066 -3.764 220 HH12 ARG 50 2HH1 ARG 50 6.564 1.130 -2.592 221 HH21 ARG 50 1HH2 ARG 50 9.235 1.854 -4.670 222 HH22 ARG 50 2HH2 ARG 50 8.541 2.093 -3.066 223 H GLU 51 H GLU 51 2.523 -2.616 -8.854 224 HA GLU 51 HA GLU 51 1.822 -2.562 -11.643 225 HB2 GLU 51 2HB GLU 51 -0.090 -3.148 -9.365 226 HB3 GLU 51 3HB GLU 51 -0.409 -3.384 -10.987 227 HG2 GLU 51 2HG GLU 51 1.961 -4.710 -9.669 228 HG3 GLU 51 3HG GLU 51 0.431 -5.362 -9.370 229 H ASN 52 H ASN 52 0.866 -0.810 -8.879 230 HA ASN 52 HA ASN 52 -1.352 0.650 -10.128 231 HB2 ASN 52 2HB ASN 52 -0.381 -0.309 -7.444 232 HB3 ASN 52 3HB ASN 52 -1.291 1.082 -7.404 233 HD21 ASN 52 2HD2 ASN 52 -1.319 -2.287 -8.049 234 HD22 ASN 52 1HD2 ASN 52 -3.072 -2.449 -8.166 235 H SER 53 H SER 53 1.875 1.356 -9.477 236 HA SER 53 HA SER 53 3.054 3.121 -10.298 237 HG SER 53 HG SER 53 0.474 3.158 -11.903 238 HB2 SER 53 2HB SER 53 0.571 4.866 -10.361 239 HB3 SER 53 3HB SER 53 2.180 5.243 -10.977 240 H LEU 54 H LEU 54 1.991 2.517 -7.418 241 HA LEU 54 HA LEU 54 2.819 4.913 -5.910 242 HG LEU 54 HG LEU 54 0.427 2.489 -5.053 243 HB2 LEU 54 2HB LEU 54 2.626 2.001 -5.347 244 HB3 LEU 54 3HB LEU 54 3.209 3.014 -4.114 245 HD11 LEU 54 1HD1 LEU 54 1.509 3.165 -2.264 246 HD12 LEU 54 2HD1 LEU 54 -0.033 2.403 -2.672 247 HD13 LEU 54 3HD1 LEU 54 1.477 1.536 -2.918 248 HD21 LEU 54 3HD2 LEU 54 -0.501 4.508 -4.147 249 HD22 LEU 54 1HD2 LEU 54 1.109 5.137 -3.726 250 HD23 LEU 54 2HD2 LEU 54 0.606 4.938 -5.427 251 H GLU 55 H GLU 55 4.731 5.148 -5.055 252 HA GLU 55 HA GLU 55 6.859 3.216 -5.198 253 HB2 GLU 55 2HB GLU 55 7.242 4.441 -7.261 254 HB3 GLU 55 3HB GLU 55 7.365 5.961 -6.358 255 HG2 GLU 55 2HG GLU 55 9.444 5.517 -5.791 256 HG3 GLU 55 3HG GLU 55 9.030 4.118 -4.918 257 H THR 56 H THR 56 5.827 3.335 -3.181 258 HA THR 56 HA THR 56 6.246 5.431 -1.238 259 HB THR 56 HB THR 56 5.580 3.660 0.331 260 HG1 THR 56 1HG THR 56 5.482 1.591 -0.329 261 HG21 THR 56 1HG2 THR 56 3.372 2.985 -0.612 262 HG22 THR 56 2HG2 THR 56 3.714 4.711 -0.565 263 HG23 THR 56 3HG2 THR 56 3.826 3.819 -2.103 264 H THR 57 H THR 57 7.580 4.949 0.790 265 HA THR 57 HA THR 57 10.352 4.376 0.134 266 HB THR 57 HB THR 57 9.091 4.447 2.907 267 HG1 THR 57 1HG THR 57 9.076 6.554 2.865 268 HG21 THR 57 1HG2 THR 57 11.449 3.806 2.893 269 HG22 THR 57 2HG2 THR 57 11.862 5.248 1.933 270 HG23 THR 57 3HG2 THR 57 11.243 5.416 3.593 271 H PHE 58 H PHE 58 7.775 2.768 1.989 272 HA PHE 58 HA PHE 58 8.896 0.097 1.833 273 HD1 PHE 58 HD2 PHE 58 8.923 3.341 4.979 274 HD2 PHE 58 HD1 PHE 58 8.864 -0.919 5.644 275 HE1 PHE 58 HE2 PHE 58 8.073 3.699 7.286 276 HE2 PHE 58 HE1 PHE 58 7.996 -0.554 7.935 277 HZ PHE 58 HZ PHE 58 7.592 1.760 8.757 278 HB2 PHE 58 2HB PHE 58 10.020 0.036 3.756 279 HB3 PHE 58 3HB PHE 58 10.209 1.733 3.551 280 H SER 59 H SER 59 7.746 -1.377 3.423 281 HA SER 59 HA SER 59 5.255 -0.316 4.577 282 HG SER 59 HG SER 59 3.235 -2.969 3.160 283 HB2 SER 59 2HB SER 59 4.459 -1.091 2.526 284 HB3 SER 59 3HB SER 59 5.384 -2.574 2.639 285 H SER 60 H SER 60 4.544 -1.415 6.307 286 HA SER 60 HA SER 60 6.198 -3.478 7.676 287 HG SER 60 HG SER 60 5.543 -0.751 8.461 288 HB2 SER 60 2HB SER 60 3.628 -2.007 8.367 289 HB3 SER 60 3HB SER 60 4.416 -3.200 9.428 290 H VAL 61 H VAL 61 5.895 -5.516 6.842 291 HA VAL 61 HA VAL 61 3.134 -6.586 6.507 292 HB VAL 61 HB VAL 61 5.270 -7.389 4.525 293 HG11 VAL 61 1HG1 VAL 61 3.303 -8.839 4.495 294 HG12 VAL 61 2HG1 VAL 61 2.217 -7.433 4.534 295 HG13 VAL 61 3HG1 VAL 61 3.164 -7.782 3.105 296 HG21 VAL 61 3HG2 VAL 61 5.120 -5.004 4.112 297 HG22 VAL 61 1HG2 VAL 61 4.217 -5.860 2.859 298 HG23 VAL 61 2HG2 VAL 61 3.344 -5.078 4.175 299 H ASN 62 H ASN 62 3.223 -9.027 6.327 300 HA ASN 62 HA ASN 62 3.633 -11.065 7.073 301 HB2 ASN 62 2HB ASN 62 6.507 -10.117 7.004 302 HB3 ASN 62 3HB ASN 62 6.084 -11.726 7.562 303 HD21 ASN 62 1HD2 ASN 62 7.049 -10.117 4.819 304 HD22 ASN 62 2HD2 ASN 62 6.378 -11.310 3.682 305 H THR 63 H THR 63 3.721 -8.561 9.221 306 HA THR 63 HA THR 63 3.990 -10.106 11.693 307 HB THR 63 HB THR 63 2.558 -8.150 12.590 308 HG1 THR 63 1HG THR 63 1.694 -7.106 10.980 309 HG21 THR 63 1HG2 THR 63 5.010 -8.258 12.853 310 HG22 THR 63 2HG2 THR 63 5.228 -7.506 11.258 311 HG23 THR 63 3HG2 THR 63 4.460 -6.598 12.577 312 H ARG 64 H ARG 64 2.262 -11.078 12.880 313 HA ARG 64 HA ARG 64 0.239 -12.219 11.109 314 HE ARG 64 HE ARG 64 -0.951 -16.698 11.518 315 HB2 ARG 64 2HB ARG 64 1.737 -13.423 12.907 316 HB3 ARG 64 3HB ARG 64 0.496 -12.916 14.041 317 HG2 ARG 64 2HG ARG 64 -0.127 -15.103 13.372 318 HG3 ARG 64 3HG ARG 64 -1.204 -14.052 12.441 319 HD2 ARG 64 2HD ARG 64 0.446 -14.253 10.508 320 HD3 ARG 64 3HD ARG 64 1.325 -15.449 11.453 321 HH11 ARG 64 2HH2 ARG 64 0.012 -14.813 8.709 322 HH12 ARG 64 1HH2 ARG 64 -1.023 -15.707 7.645 323 HH21 ARG 64 1HH1 ARG 64 -2.312 -17.739 10.074 324 HH22 ARG 64 2HH1 ARG 64 -2.399 -17.165 8.426 325 H ASP 65 H ASP 65 -0.410 -9.873 11.060 326 HA ASP 65 HA ASP 65 -1.863 -8.346 12.795 327 HB2 ASP 65 2HB ASP 65 -2.142 -8.840 9.802 328 HB3 ASP 65 3HB ASP 65 -2.898 -7.497 10.578 329 H PHE 66 H PHE 66 -3.165 -10.776 10.700 330 HA PHE 66 HA PHE 66 -5.365 -11.600 12.338 331 HD1 PHE 66 HD1 PHE 66 -4.963 -8.845 9.047 332 HD2 PHE 66 HD2 PHE 66 -7.544 -12.296 8.881 333 HE1 PHE 66 HE1 PHE 66 -4.731 -8.927 6.557 334 HE2 PHE 66 HE2 PHE 66 -7.315 -12.353 6.415 335 HZ PHE 66 HZ PHE 66 -5.859 -10.686 5.258 336 HB2 PHE 66 2HB PHE 66 -7.217 -11.124 10.959 337 HB3 PHE 66 3HB PHE 66 -6.368 -9.593 11.033 338 H ASP 67 H ASP 67 -3.857 -11.438 9.200 339 HA ASP 67 HA ASP 67 -2.787 -14.140 9.341 340 HB2 ASP 67 2HB ASP 67 -4.940 -14.296 7.956 341 HB3 ASP 67 3HB ASP 67 -4.177 -13.219 6.786 342 H GLY 68 H GLY 68 -3.204 -11.231 7.237 343 HA2 GLY 68 2HA GLY 68 -0.996 -9.857 8.236 344 HA3 GLY 68 3HA GLY 68 -0.401 -10.674 6.835 345 H THR 69 H THR 69 -1.154 -7.862 7.700 346 HA THR 69 HA THR 69 -2.523 -6.899 5.207 347 HB THR 69 HB THR 69 -3.183 -4.980 6.298 348 HG1 THR 69 1HG THR 69 -1.404 -5.714 8.393 349 HG21 THR 69 1HG2 THR 69 -4.559 -6.823 7.129 350 HG22 THR 69 2HG2 THR 69 -3.473 -7.050 8.494 351 HG23 THR 69 3HG2 THR 69 -4.386 -5.540 8.338 352 H GLY 70 H GLY 70 -1.498 -4.740 4.575 353 HA2 GLY 70 2HA GLY 70 1.455 -4.661 5.112 354 HA3 GLY 70 3HA GLY 70 0.726 -4.084 3.610 355 H ALA 71 H ALA 71 2.290 -2.555 5.570 356 HA ALA 71 HA ALA 71 0.337 -0.367 5.503 357 HB1 ALA 71 1HB ALA 71 1.865 -0.881 8.077 358 HB2 ALA 71 2HB ALA 71 0.537 0.264 7.791 359 HB3 ALA 71 3HB ALA 71 0.214 -1.459 7.790 360 H LEU 72 H LEU 72 1.156 1.017 4.209 361 HA LEU 72 HA LEU 72 3.984 0.995 3.434 362 HG LEU 72 HG LEU 72 1.809 1.036 0.395 363 HB2 LEU 72 2HB LEU 72 1.565 2.292 2.336 364 HB3 LEU 72 3HB LEU 72 3.110 2.614 1.742 365 HD11 LEU 72 1HD1 LEU 72 3.876 -0.729 0.558 366 HD12 LEU 72 2HD1 LEU 72 3.804 0.715 -0.402 367 HD13 LEU 72 3HD1 LEU 72 4.604 0.748 1.198 368 HD21 LEU 72 3HD2 LEU 72 1.662 -1.306 0.961 369 HD22 LEU 72 1HD2 LEU 72 2.260 -0.970 2.592 370 HD23 LEU 72 2HD2 LEU 72 0.727 -0.285 2.083 371 H GLU 73 H GLU 73 5.156 3.003 3.194 372 HA GLU 73 HA GLU 73 4.081 5.488 4.567 373 HB2 GLU 73 2HB GLU 73 5.509 4.300 6.133 374 HB3 GLU 73 3HB GLU 73 6.792 4.189 4.941 375 HG2 GLU 73 2HG GLU 73 6.025 6.992 5.554 376 HG3 GLU 73 3HG GLU 73 6.551 6.085 6.954 377 H PHE 74 H PHE 74 4.850 7.515 3.794 378 HA PHE 74 HA PHE 74 7.165 7.605 2.065 379 HD1 PHE 74 HD1 PHE 74 7.546 6.749 -0.001 380 HD2 PHE 74 HD2 PHE 74 5.763 10.570 -0.706 381 HE1 PHE 74 HE1 PHE 74 9.320 7.248 -1.672 382 HE2 PHE 74 HE2 PHE 74 7.562 11.129 -2.311 383 HZ PHE 74 HZ PHE 74 9.345 9.463 -2.812 384 HB2 PHE 74 2HB PHE 74 4.777 7.555 0.596 385 HB3 PHE 74 3HB PHE 74 4.955 9.233 0.968 386 HA PRO 75 HA PRO 75 7.428 11.668 4.006 387 HB2 PRO 75 2HB PRO 75 9.301 12.937 2.418 388 HB3 PRO 75 3HB PRO 75 9.666 11.700 3.658 389 HG2 PRO 75 2HG PRO 75 9.257 11.271 0.677 390 HG3 PRO 75 3HG PRO 75 10.626 10.711 1.702 391 HD2 PRO 75 2HD PRO 75 8.618 9.051 1.172 392 HD3 PRO 75 3HD PRO 75 9.250 9.129 2.821 393 H SER 76 H SER 76 5.830 11.257 0.984 394 HA SER 76 HA SER 76 4.695 13.988 1.361 395 HG SER 76 HG SER 76 6.318 14.801 -1.628 396 HB2 SER 76 2HB SER 76 5.156 12.676 -1.303 397 HB3 SER 76 3HB SER 76 4.303 14.187 -1.039 398 H GLU 77 H GLU 77 2.612 13.980 1.676 399 HA GLU 77 HA GLU 77 0.976 11.730 1.519 400 HB2 GLU 77 2HB GLU 77 -0.961 13.333 1.638 401 HB3 GLU 77 3HB GLU 77 0.251 13.486 2.892 402 HG2 GLU 77 2HG GLU 77 1.267 15.414 1.553 403 HG3 GLU 77 3HG GLU 77 -0.066 15.248 0.415 404 H GLU 78 H GLU 78 2.102 13.501 -1.148 405 HA GLU 78 HA GLU 78 0.170 13.158 -3.145 406 HB2 GLU 78 2HB GLU 78 3.180 12.609 -3.222 407 HB3 GLU 78 3HB GLU 78 2.161 12.817 -4.652 408 HG2 GLU 78 2HG GLU 78 1.718 15.143 -4.062 409 HG3 GLU 78 3HG GLU 78 2.543 14.967 -2.514 410 H ILE 79 H ILE 79 2.526 10.724 -1.923 411 HA ILE 79 HA ILE 79 1.531 8.589 -3.619 412 HB ILE 79 HB ILE 79 3.450 8.487 -1.266 413 HG12 ILE 79 2HG1 ILE 79 3.729 9.527 -4.024 414 HG13 ILE 79 3HG1 ILE 79 4.570 9.943 -2.586 415 HG21 ILE 79 1HG2 ILE 79 4.337 6.413 -2.153 416 HG22 ILE 79 2HG2 ILE 79 2.607 6.228 -1.950 417 HG23 ILE 79 3HG2 ILE 79 3.265 6.509 -3.580 418 HD11 ILE 79 3HD1 ILE 79 6.121 9.081 -4.207 419 HD12 ILE 79 1HD1 ILE 79 5.994 7.868 -2.924 420 HD13 ILE 79 2HD1 ILE 79 5.156 7.622 -4.470 421 H LEU 80 H LEU 80 0.872 9.652 -0.336 422 HA LEU 80 HA LEU 80 -0.614 7.407 0.571 423 HG LEU 80 HG LEU 80 -2.857 10.022 1.577 424 HB2 LEU 80 2HB LEU 80 -0.088 8.887 2.230 425 HB3 LEU 80 3HB LEU 80 -0.398 10.295 1.302 426 HD11 LEU 80 1HD1 LEU 80 -2.085 8.065 3.754 427 HD12 LEU 80 2HD1 LEU 80 -3.715 8.615 3.318 428 HD13 LEU 80 3HD1 LEU 80 -2.809 7.587 2.195 429 HD21 LEU 80 3HD2 LEU 80 -1.609 11.560 3.008 430 HD22 LEU 80 1HD2 LEU 80 -2.897 10.754 3.914 431 HD23 LEU 80 2HD2 LEU 80 -1.211 10.231 4.124 432 H VAL 81 H VAL 81 -1.590 10.419 -1.095 433 HA VAL 81 HA VAL 81 -4.450 9.831 -1.039 434 HB VAL 81 HB VAL 81 -2.756 11.914 -2.532 435 HG11 VAL 81 1HG1 VAL 81 -4.880 13.161 -2.945 436 HG12 VAL 81 2HG1 VAL 81 -4.813 11.640 -3.835 437 HG13 VAL 81 3HG1 VAL 81 -5.799 11.758 -2.357 438 HG21 VAL 81 3HG2 VAL 81 -4.675 12.263 -0.187 439 HG22 VAL 81 1HG2 VAL 81 -2.911 12.182 -0.038 440 HG23 VAL 81 2HG2 VAL 81 -3.644 13.516 -0.936 441 H GLU 82 H GLU 82 -1.825 9.501 -3.432 442 HA GLU 82 HA GLU 82 -3.302 8.476 -5.534 443 HB2 GLU 82 2HB GLU 82 -0.597 8.296 -4.217 444 HB3 GLU 82 3HB GLU 82 -1.019 6.998 -5.169 445 HG2 GLU 82 2HG GLU 82 -0.432 9.821 -5.908 446 HG3 GLU 82 3HG GLU 82 0.206 8.327 -6.570 447 H ALA 83 H ALA 83 -1.619 6.471 -2.969 448 HA ALA 83 HA ALA 83 -2.872 4.054 -3.609 449 HB1 ALA 83 1HB ALA 83 -0.995 4.424 -1.985 450 HB2 ALA 83 2HB ALA 83 -2.199 4.926 -0.790 451 HB3 ALA 83 3HB ALA 83 -2.237 3.271 -1.462 452 H LEU 84 H LEU 84 -4.215 6.520 -1.486 453 HA LEU 84 HA LEU 84 -6.518 4.993 -0.543 454 HG LEU 84 HG LEU 84 -4.723 7.747 1.073 455 HB2 LEU 84 2HB LEU 84 -6.041 7.999 -0.641 456 HB3 LEU 84 3HB LEU 84 -7.417 7.279 0.068 457 HD11 LEU 84 1HD1 LEU 84 -5.893 7.775 3.197 458 HD12 LEU 84 2HD1 LEU 84 -6.741 8.723 1.972 459 HD13 LEU 84 3HD1 LEU 84 -7.352 7.110 2.417 460 HD21 LEU 84 3HD2 LEU 84 -6.000 5.062 1.578 461 HD22 LEU 84 1HD2 LEU 84 -4.392 5.369 0.906 462 HD23 LEU 84 2HD2 LEU 84 -4.691 5.791 2.597 463 H GLU 85 H GLU 85 -5.932 6.972 -3.410 464 HA GLU 85 HA GLU 85 -8.711 6.410 -4.215 465 HB2 GLU 85 2HB GLU 85 -6.515 8.077 -5.511 466 HB3 GLU 85 3HB GLU 85 -8.158 7.905 -6.149 467 HG2 GLU 85 2HG GLU 85 -9.107 9.041 -4.241 468 HG3 GLU 85 3HG GLU 85 -7.532 9.153 -3.458 469 H ARG 86 H ARG 86 -5.681 4.829 -4.583 470 HA ARG 86 HA ARG 86 -6.208 3.892 -7.373 471 HE ARG 86 HE ARG 86 -3.570 7.795 -8.602 472 HB2 ARG 86 2HB ARG 86 -3.805 4.673 -5.759 473 HB3 ARG 86 3HB ARG 86 -3.532 3.371 -6.668 474 HG2 ARG 86 2HG ARG 86 -2.885 5.472 -7.815 475 HG3 ARG 86 3HG ARG 86 -4.119 4.641 -8.781 476 HD2 ARG 86 2HD ARG 86 -5.884 6.042 -7.939 477 HD3 ARG 86 3HD ARG 86 -4.808 6.704 -6.696 478 HH11 ARG 86 2HH1 ARG 86 -7.089 7.602 -8.466 479 HH12 ARG 86 1HH1 ARG 86 -7.195 9.266 -7.905 480 HH21 ARG 86 2HH2 ARG 86 -3.917 9.970 -8.100 481 HH22 ARG 86 1HH2 ARG 86 -5.568 10.534 -7.886 482 H LEU 87 H LEU 87 -5.631 2.783 -4.084 483 HA LEU 87 HA LEU 87 -5.933 -0.012 -4.917 484 HG LEU 87 HG LEU 87 -3.520 -0.536 -4.890 485 HB2 LEU 87 2HB LEU 87 -4.293 1.352 -2.749 486 HB3 LEU 87 3HB LEU 87 -4.664 -0.319 -2.742 487 HD11 LEU 87 1HD1 LEU 87 -3.113 2.324 -4.693 488 HD12 LEU 87 2HD1 LEU 87 -1.802 1.337 -5.351 489 HD13 LEU 87 3HD1 LEU 87 -3.426 1.215 -6.075 490 HD21 LEU 87 3HD2 LEU 87 -1.850 0.688 -2.662 491 HD22 LEU 87 1HD2 LEU 87 -2.334 -1.021 -2.775 492 HD23 LEU 87 2HD2 LEU 87 -1.218 -0.347 -3.968 493 H ASN 88 H ASN 88 -7.795 2.392 -3.506 494 HA ASN 88 HA ASN 88 -8.727 0.957 -1.190 495 HB2 ASN 88 2HB ASN 88 -8.890 3.340 -1.265 496 HB3 ASN 88 3HB ASN 88 -9.976 3.277 -2.667 497 HD21 ASN 88 1HD2 ASN 88 -9.660 2.441 0.808 498 HD22 ASN 88 2HD2 ASN 88 -11.387 2.352 1.084 499 H ASN 89 H ASN 89 -9.147 -1.082 -1.755 500 HA ASN 89 HA ASN 89 -10.527 -2.824 -1.902 501 HB2 ASN 89 2HB ASN 89 -12.177 -1.410 -0.883 502 HB3 ASN 89 3HB ASN 89 -12.780 -0.900 -2.445 503 HD21 ASN 89 1HD2 ASN 89 -12.182 -3.674 -0.285 504 HD22 ASN 89 2HD2 ASN 89 -13.483 -4.683 -0.922 505 H ILE 90 H ILE 90 -8.810 -2.831 -3.517 506 HA ILE 90 HA ILE 90 -9.799 -3.221 -6.328 507 HB ILE 90 HB ILE 90 -7.546 -2.722 -7.117 508 HG12 ILE 90 2HG1 ILE 90 -6.489 -1.986 -4.432 509 HG13 ILE 90 3HG1 ILE 90 -6.380 -3.633 -4.964 510 HG21 ILE 90 1HG2 ILE 90 -7.507 -0.383 -6.744 511 HG22 ILE 90 2HG2 ILE 90 -9.186 -0.910 -6.790 512 HG23 ILE 90 3HG2 ILE 90 -8.436 -0.532 -5.231 513 HD11 ILE 90 3HD1 ILE 90 -5.193 -3.153 -6.925 514 HD12 ILE 90 1HD1 ILE 90 -5.329 -1.387 -6.667 515 HD13 ILE 90 2HD1 ILE 90 -4.403 -2.405 -5.541 516 H GLU 91 H GLU 91 -9.233 -4.985 -7.445 517 HA GLU 91 HA GLU 91 -8.400 -7.279 -5.859 518 HB2 GLU 91 2HB GLU 91 -10.196 -7.602 -7.247 519 HB3 GLU 91 3HB GLU 91 -9.381 -6.900 -8.611 520 HG2 GLU 91 2HG GLU 91 -8.058 -9.315 -7.456 521 HG3 GLU 91 3HG GLU 91 -9.666 -9.544 -8.061 522 H PHE 92 H PHE 92 -6.660 -7.971 -5.623 523 HA PHE 92 HA PHE 92 -4.182 -6.875 -6.783 524 HD1 PHE 92 HD1 PHE 92 -1.921 -8.097 -6.238 525 HD2 PHE 92 HD2 PHE 92 -3.426 -7.764 -2.197 526 HE1 PHE 92 HE1 PHE 92 0.348 -8.416 -5.366 527 HE2 PHE 92 HE2 PHE 92 -1.120 -8.044 -1.337 528 HZ PHE 92 HZ PHE 92 0.779 -8.261 -2.955 529 HB2 PHE 92 2HB PHE 92 -4.630 -6.662 -4.397 530 HB3 PHE 92 3HB PHE 92 -4.939 -8.261 -4.195 531 H ARG 93 H ARG 93 -4.251 -8.176 -8.698 532 HA ARG 93 HA ARG 93 -3.908 -9.951 -10.045 533 HE ARG 93 HE ARG 93 0.703 -7.964 -10.707 534 HB2 ARG 93 2HB ARG 93 -1.814 -10.580 -7.935 535 HB3 ARG 93 3HB ARG 93 -1.860 -11.296 -9.541 536 HG2 ARG 93 2HG ARG 93 -1.560 -9.085 -10.596 537 HG3 ARG 93 3HG ARG 93 -1.455 -8.333 -8.978 538 HD2 ARG 93 2HD ARG 93 0.446 -9.764 -8.408 539 HD3 ARG 93 3HD ARG 93 0.334 -10.602 -9.963 540 HH11 ARG 93 2HH2 ARG 93 2.527 -10.189 -8.637 541 HH12 ARG 93 1HH2 ARG 93 4.035 -9.339 -8.992 542 HH21 ARG 93 2HH1 ARG 93 2.815 -7.077 -11.137 543 HH22 ARG 93 1HH1 ARG 93 4.169 -7.778 -10.241 544 H GLY 94 H GLY 94 -5.997 -10.484 -8.041 545 HA2 GLY 94 2HA GLY 94 -7.293 -12.624 -8.195 546 HA3 GLY 94 3HA GLY 94 -5.833 -13.467 -7.690 547 H SER 95 H SER 95 -5.523 -10.918 -5.589 548 HA SER 95 HA SER 95 -7.432 -12.010 -3.590 549 HG SER 95 HG SER 95 -4.144 -12.460 -2.350 550 HB2 SER 95 2HB SER 95 -4.772 -10.543 -3.339 551 HB3 SER 95 3HB SER 95 -5.876 -10.847 -1.984 552 H VAL 96 H VAL 96 -7.508 -9.616 -2.074 553 HA VAL 96 HA VAL 96 -7.737 -7.372 -3.858 554 HB VAL 96 HB VAL 96 -9.820 -7.258 -4.351 555 HG11 VAL 96 1HG1 VAL 96 -11.628 -8.565 -3.661 556 HG12 VAL 96 2HG1 VAL 96 -10.211 -9.544 -4.010 557 HG13 VAL 96 3HG1 VAL 96 -10.679 -9.225 -2.303 558 HG21 VAL 96 3HG2 VAL 96 -11.509 -6.373 -2.885 559 HG22 VAL 96 1HG2 VAL 96 -10.439 -6.612 -1.494 560 HG23 VAL 96 2HG2 VAL 96 -9.999 -5.487 -2.782 561 H ILE 97 H ILE 97 -7.567 -5.409 -2.691 562 HA ILE 97 HA ILE 97 -7.304 -5.526 0.266 563 HB ILE 97 HB ILE 97 -5.471 -3.815 -0.005 564 HG12 ILE 97 2HG1 ILE 97 -5.162 -5.086 -2.759 565 HG13 ILE 97 3HG1 ILE 97 -5.795 -3.464 -2.479 566 HG21 ILE 97 1HG2 ILE 97 -3.725 -5.528 -0.022 567 HG22 ILE 97 2HG2 ILE 97 -5.136 -6.080 0.871 568 HG23 ILE 97 3HG2 ILE 97 -4.857 -6.691 -0.767 569 HD11 ILE 97 3HD1 ILE 97 -3.516 -3.244 -3.110 570 HD12 ILE 97 1HD1 ILE 97 -3.650 -2.822 -1.400 571 HD13 ILE 97 2HD1 ILE 97 -2.976 -4.406 -1.885 572 H THR 98 H THR 98 -7.908 -3.783 1.327 573 HA THR 98 HA THR 98 -9.052 -1.385 -0.019 574 HB THR 98 HB THR 98 -9.674 -2.529 2.681 575 HG1 THR 98 1HG THR 98 -11.543 -3.299 1.847 576 HG21 THR 98 1HG2 THR 98 -10.119 -0.127 2.623 577 HG22 THR 98 2HG2 THR 98 -11.045 -0.318 1.105 578 HG23 THR 98 3HG2 THR 98 -11.647 -1.010 2.631 579 H VAL 99 H VAL 99 -8.298 0.578 0.795 580 HA VAL 99 HA VAL 99 -6.062 0.396 2.722 581 HB VAL 99 HB VAL 99 -4.511 1.506 1.380 582 HG11 VAL 99 1HG1 VAL 99 -4.855 -0.937 0.918 583 HG12 VAL 99 2HG1 VAL 99 -5.858 -0.514 -0.458 584 HG13 VAL 99 3HG1 VAL 99 -4.156 -0.037 -0.440 585 HG21 VAL 99 3HG2 VAL 99 -5.021 2.171 -0.928 586 HG22 VAL 99 1HG2 VAL 99 -6.744 1.795 -0.630 587 HG23 VAL 99 2HG2 VAL 99 -5.930 3.103 0.241 588 H GLU 100 H GLU 100 -5.398 2.173 3.732 589 HA GLU 100 HA GLU 100 -6.839 4.767 3.536 590 HB2 GLU 100 2HB GLU 100 -7.882 4.430 5.812 591 HB3 GLU 100 3HB GLU 100 -8.578 3.363 4.615 592 HG2 GLU 100 2HG GLU 100 -6.370 1.974 5.917 593 HG3 GLU 100 3HG GLU 100 -7.326 2.768 7.151 594 H ARG 101 H ARG 101 -6.202 6.298 4.909 595 HA ARG 101 HA ARG 101 -3.553 6.466 5.945 596 HE ARG 101 HE ARG 101 -6.461 10.187 8.351 597 HB2 ARG 101 2HB ARG 101 -4.362 8.523 6.935 598 HB3 ARG 101 3HB ARG 101 -4.919 8.367 5.283 599 HG2 ARG 101 2HG ARG 101 -7.125 7.433 6.281 600 HG3 ARG 101 3HG ARG 101 -6.520 8.002 7.835 601 HD2 ARG 101 2HD ARG 101 -6.415 10.027 5.635 602 HD3 ARG 101 3HD ARG 101 -8.031 9.421 5.988 603 HH11 ARG 101 2HH2 ARG 101 -8.949 11.283 6.120 604 HH12 ARG 101 1HH2 ARG 101 -9.487 12.531 7.205 605 HH21 ARG 101 1HH1 ARG 101 -7.056 11.860 9.580 606 HH22 ARG 101 2HH1 ARG 101 -8.449 12.843 9.151 607 H ASP 102 H ASP 102 -2.653 5.941 7.759 608 HA ASP 102 HA ASP 102 -4.239 4.601 9.905 609 HB2 ASP 102 2HB ASP 102 -2.998 3.136 8.309 610 HB3 ASP 102 3HB ASP 102 -1.490 3.880 8.848 611 H ASP 103 H ASP 103 -1.737 7.012 9.379 612 HA ASP 103 HA ASP 103 -1.638 7.417 12.340 613 HB2 ASP 103 2HB ASP 103 0.608 7.806 12.377 614 HB3 ASP 103 3HB ASP 103 0.499 6.445 11.274 615 H ASN 104 H ASN 104 -3.077 8.637 9.849 616 HA ASN 104 HA ASN 104 -2.987 11.466 10.744 617 HB2 ASN 104 2HB ASN 104 -1.599 11.109 8.633 618 HB3 ASN 104 3HB ASN 104 -3.061 10.564 7.823 619 HD21 ASN 104 2HD2 ASN 104 -4.614 12.830 9.342 620 HD22 ASN 104 1HD2 ASN 104 -4.180 14.242 8.370 Start of MODEL 16 1 HA PRO 25 HA PRO 25 9.751 16.644 6.274 2 HB2 PRO 25 2HB PRO 25 8.896 14.655 4.163 3 HB3 PRO 25 3HB PRO 25 9.968 16.089 3.994 4 HG2 PRO 25 2HG PRO 25 11.120 13.696 4.319 5 HG3 PRO 25 3HG PRO 25 11.677 15.040 5.367 6 HD2 PRO 25 2HD PRO 25 9.629 12.888 5.994 7 HD3 PRO 25 3HD PRO 25 11.035 13.360 6.979 8 H ALA 26 H ALA 26 7.648 16.416 3.969 9 HA ALA 26 HA ALA 26 5.814 18.207 4.925 10 HB1 ALA 26 1HB ALA 26 4.554 17.624 2.861 11 HB2 ALA 26 2HB ALA 26 5.534 16.148 2.698 12 HB3 ALA 26 3HB ALA 26 6.302 17.744 2.574 13 H LYS 27 H LYS 27 5.430 14.687 5.090 14 HA LYS 27 HA LYS 27 3.244 15.063 7.074 15 HB2 LYS 27 2HB LYS 27 2.554 14.403 4.520 16 HB3 LYS 27 3HB LYS 27 2.915 12.810 5.097 17 HG2 LYS 27 2HG LYS 27 0.819 14.728 6.188 18 HG3 LYS 27 3HG LYS 27 0.582 13.238 5.275 19 HD2 LYS 27 2HD LYS 27 1.784 12.108 7.352 20 HD3 LYS 27 3HD LYS 27 1.221 13.571 8.178 21 HE2 LYS 27 2HE LYS 27 -1.079 13.160 7.289 22 HE3 LYS 27 3HE LYS 27 -0.510 11.698 6.474 23 HZ1 LYS 27 3HZ LYS 27 -0.625 10.548 8.439 24 HZ2 LYS 27 1HZ LYS 27 0.103 11.696 9.300 25 HZ3 LYS 27 2HZ LYS 27 -1.507 11.825 9.019 26 H ARG 28 H ARG 28 5.353 12.887 5.582 27 HA ARG 28 HA ARG 28 5.901 10.738 5.933 28 HE ARG 28 HE ARG 28 9.439 8.133 6.995 29 HB2 ARG 28 2HB ARG 28 7.634 12.159 7.178 30 HB3 ARG 28 3HB ARG 28 6.937 11.490 8.670 31 HG2 ARG 28 2HG ARG 28 7.335 9.193 7.801 32 HG3 ARG 28 3HG ARG 28 7.889 9.865 6.257 33 HD2 ARG 28 2HD ARG 28 9.830 10.886 7.353 34 HD3 ARG 28 3HD ARG 28 9.268 10.283 8.934 35 HH11 ARG 28 1HH1 ARG 28 11.581 9.872 9.175 36 HH12 ARG 28 2HH1 ARG 28 12.635 8.486 9.308 37 HH21 ARG 28 1HH2 ARG 28 10.651 6.555 7.209 38 HH22 ARG 28 2HH2 ARG 28 12.142 6.587 8.166 39 H TYR 29 H TYR 29 3.628 10.471 5.833 40 HA TYR 29 HA TYR 29 2.019 9.568 8.090 41 HD1 TYR 29 HD2 TYR 29 0.918 6.948 5.209 42 HD2 TYR 29 HD1 TYR 29 2.364 10.755 3.757 43 HE1 TYR 29 HE2 TYR 29 1.582 5.868 3.107 44 HE2 TYR 29 HE1 TYR 29 2.738 9.742 1.608 45 HH TYR 29 HH TYR 29 2.177 6.194 0.996 46 HB2 TYR 29 2HB TYR 29 0.378 9.132 6.350 47 HB3 TYR 29 3HB TYR 29 1.198 10.594 5.861 48 H ARG 30 H ARG 30 0.839 7.502 7.883 49 HA ARG 30 HA ARG 30 2.327 5.326 6.589 50 HE ARG 30 HE ARG 30 0.558 2.243 9.841 51 HB2 ARG 30 2HB ARG 30 3.009 5.698 9.106 52 HB3 ARG 30 3HB ARG 30 1.477 4.958 9.458 53 HG2 ARG 30 2HG ARG 30 3.686 3.740 7.726 54 HG3 ARG 30 3HG ARG 30 3.618 3.508 9.468 55 HD2 ARG 30 2HD ARG 30 1.338 2.653 7.660 56 HD3 ARG 30 3HD ARG 30 2.733 1.637 7.945 57 HH11 ARG 30 1HH2 ARG 30 3.786 0.857 9.612 58 HH12 ARG 30 2HH2 ARG 30 3.508 -0.161 10.996 59 HH21 ARG 30 1HH1 ARG 30 0.273 0.979 11.446 60 HH22 ARG 30 2HH1 ARG 30 1.531 -0.100 12.060 61 H ILE 31 H ILE 31 0.942 3.893 5.649 62 HA ILE 31 HA ILE 31 -1.999 4.076 6.225 63 HB ILE 31 HB ILE 31 -2.501 3.576 3.925 64 HG12 ILE 31 2HG1 ILE 31 0.456 3.716 3.285 65 HG13 ILE 31 3HG1 ILE 31 -0.532 2.245 3.316 66 HG21 ILE 31 1HG2 ILE 31 -2.251 5.650 3.028 67 HG22 ILE 31 2HG2 ILE 31 -1.992 5.990 4.745 68 HG23 ILE 31 3HG2 ILE 31 -0.620 5.889 3.660 69 HD11 ILE 31 3HD1 ILE 31 -0.874 4.576 1.396 70 HD12 ILE 31 1HD1 ILE 31 -0.275 2.952 1.025 71 HD13 ILE 31 2HD1 ILE 31 -1.969 3.175 1.509 72 H THR 32 H THR 32 -3.218 2.271 5.703 73 HA THR 32 HA THR 32 -2.000 -0.500 5.978 74 HB THR 32 HB THR 32 -4.639 0.741 6.684 75 HG1 THR 32 1HG THR 32 -3.899 0.361 8.705 76 HG21 THR 32 1HG2 THR 32 -3.852 -2.196 6.665 77 HG22 THR 32 2HG2 THR 32 -5.238 -1.544 7.588 78 HG23 THR 32 3HG2 THR 32 -5.222 -1.410 5.814 79 H MET 33 H MET 33 -2.203 -1.821 4.459 80 HA MET 33 HA MET 33 -4.278 -1.414 2.460 81 HB2 MET 33 2HB MET 33 -1.499 -2.483 1.718 82 HB3 MET 33 3HB MET 33 -2.832 -2.081 0.652 83 HG2 MET 33 2HG MET 33 -2.515 0.345 1.763 84 HG3 MET 33 3HG MET 33 -0.933 -0.330 2.129 85 HE1 MET 33 3HE MET 33 0.127 -1.796 -0.191 86 HE2 MET 33 1HE MET 33 -1.428 -1.994 -1.052 87 HE3 MET 33 2HE MET 33 -0.080 -1.134 -1.835 88 H LYS 34 H LYS 34 -5.605 -2.961 2.594 89 HA LYS 34 HA LYS 34 -4.918 -5.657 3.701 90 HB2 LYS 34 2HB LYS 34 -5.071 -3.809 5.412 91 HB3 LYS 34 3HB LYS 34 -6.539 -3.250 4.562 92 HG2 LYS 34 2HG LYS 34 -6.904 -5.813 5.758 93 HG3 LYS 34 3HG LYS 34 -6.501 -4.451 6.859 94 HD2 LYS 34 2HD LYS 34 -8.606 -4.023 4.708 95 HD3 LYS 34 3HD LYS 34 -9.082 -4.876 6.134 96 HE2 LYS 34 2HE LYS 34 -8.317 -2.979 7.561 97 HE3 LYS 34 3HE LYS 34 -7.570 -2.202 6.169 98 HZ1 LYS 34 3HZ LYS 34 -10.480 -2.514 6.638 99 HZ2 LYS 34 1HZ LYS 34 -9.615 -1.115 6.559 100 HZ3 LYS 34 2HZ LYS 34 -9.851 -1.996 5.216 101 H ASN 35 H ASN 35 -6.659 -7.081 3.543 102 HA ASN 35 HA ASN 35 -9.213 -6.333 3.634 103 HB2 ASN 35 2HB ASN 35 -9.456 -5.442 1.466 104 HB3 ASN 35 3HB ASN 35 -8.309 -6.558 0.788 105 HD21 ASN 35 2HD2 ASN 35 -9.244 -7.896 -0.629 106 HD22 ASN 35 1HD2 ASN 35 -10.929 -8.429 -0.567 107 H LEU 36 H LEU 36 -10.691 -8.478 3.361 108 HA LEU 36 HA LEU 36 -9.409 -10.492 4.836 109 HG LEU 36 HG LEU 36 -11.267 -10.804 6.363 110 HB2 LEU 36 2HB LEU 36 -12.086 -10.304 3.458 111 HB3 LEU 36 3HB LEU 36 -11.562 -11.834 4.156 112 HD11 LEU 36 1HD1 LEU 36 -12.267 -8.562 6.823 113 HD12 LEU 36 2HD1 LEU 36 -10.803 -8.466 5.845 114 HD13 LEU 36 3HD1 LEU 36 -12.400 -8.283 5.069 115 HD21 LEU 36 3HD2 LEU 36 -13.656 -10.507 6.855 116 HD22 LEU 36 1HD2 LEU 36 -14.003 -10.284 5.121 117 HD23 LEU 36 2HD2 LEU 36 -13.411 -11.849 5.726 118 HA PRO 37 HA PRO 37 -8.740 -13.425 1.166 119 HB2 PRO 37 2HB PRO 37 -9.264 -12.763 -1.431 120 HB3 PRO 37 3HB PRO 37 -10.482 -13.417 -0.301 121 HG2 PRO 37 2HG PRO 37 -9.952 -10.503 -0.947 122 HG3 PRO 37 3HG PRO 37 -11.521 -11.374 -1.006 123 HD2 PRO 37 2HD PRO 37 -10.865 -9.952 1.190 124 HD3 PRO 37 3HD PRO 37 -11.630 -11.547 1.351 125 H GLU 38 H GLU 38 -6.882 -12.118 2.290 126 HA GLU 38 HA GLU 38 -4.760 -12.148 0.312 127 HB2 GLU 38 2HB GLU 38 -5.638 -9.550 1.369 128 HB3 GLU 38 3HB GLU 38 -4.020 -9.900 1.917 129 HG2 GLU 38 2HG GLU 38 -4.999 -9.516 -0.899 130 HG3 GLU 38 3HG GLU 38 -3.733 -8.657 -0.020 131 H GLY 39 H GLY 39 -2.628 -11.949 1.361 132 HA2 GLY 39 2HA GLY 39 -2.244 -12.352 4.179 133 HA3 GLY 39 3HA GLY 39 -1.961 -13.856 3.270 134 H CYS 40 H CYS 40 -1.457 -10.574 2.173 135 HA CYS 40 HA CYS 40 0.608 -10.920 0.569 136 HG CYS 40 HG CYS 40 -1.579 -8.749 2.847 137 HB2 CYS 40 2HB CYS 40 0.960 -8.428 0.712 138 HB3 CYS 40 3HB CYS 40 -0.671 -8.981 0.371 139 H SER 41 H SER 41 2.685 -10.123 0.317 140 HA SER 41 HA SER 41 4.466 -9.905 2.717 141 HG SER 41 HG SER 41 4.031 -12.194 0.142 142 HB2 SER 41 2HB SER 41 5.570 -10.671 0.041 143 HB3 SER 41 3HB SER 41 6.135 -11.091 1.665 144 H TRP 42 H TRP 42 6.351 -8.390 2.360 145 HA TRP 42 HA TRP 42 5.481 -6.011 1.130 146 HD1 TRP 42 HD1 TRP 42 10.091 -4.831 1.820 147 HE1 TRP 42 HE1 TRP 42 10.259 -2.586 0.609 148 HE3 TRP 42 HE3 TRP 42 5.127 -4.102 0.701 149 HZ2 TRP 42 HZ2 TRP 42 8.499 -0.786 -0.806 150 HZ3 TRP 42 HZ3 TRP 42 4.425 -2.161 -0.601 151 HH2 TRP 42 HH2 TRP 42 6.060 -0.530 -1.369 152 HB2 TRP 42 2HB TRP 42 7.164 -5.918 2.834 153 HB3 TRP 42 3HB TRP 42 8.320 -6.760 1.848 154 H GLN 43 H GLN 43 7.654 -8.493 -0.287 155 HA GLN 43 HA GLN 43 8.057 -7.039 -2.637 156 HB2 GLN 43 2HB GLN 43 8.597 -9.212 -3.734 157 HB3 GLN 43 3HB GLN 43 9.392 -9.052 -2.169 158 HG2 GLN 43 2HG GLN 43 8.223 -10.790 -1.230 159 HG3 GLN 43 3HG GLN 43 6.726 -10.400 -2.052 160 HE21 GLN 43 2HE2 GLN 43 6.045 -11.864 -3.592 161 HE22 GLN 43 1HE2 GLN 43 7.153 -12.945 -4.438 162 H ASP 44 H ASP 44 5.188 -8.546 -1.711 163 HA ASP 44 HA ASP 44 4.059 -8.868 -4.408 164 HB2 ASP 44 2HB ASP 44 2.870 -9.018 -1.594 165 HB3 ASP 44 3HB ASP 44 2.101 -9.382 -3.074 166 H LEU 45 H LEU 45 3.569 -6.869 -1.481 167 HA LEU 45 HA LEU 45 1.670 -5.117 -2.713 168 HG LEU 45 HG LEU 45 1.326 -6.424 -0.181 169 HB2 LEU 45 2HB LEU 45 3.404 -5.162 -0.244 170 HB3 LEU 45 3HB LEU 45 2.581 -3.677 -0.646 171 HD11 LEU 45 1HD1 LEU 45 0.366 -5.216 1.760 172 HD12 LEU 45 2HD1 LEU 45 2.142 -5.182 1.734 173 HD13 LEU 45 3HD1 LEU 45 1.250 -3.732 1.241 174 HD21 LEU 45 3HD2 LEU 45 -0.887 -5.024 -0.205 175 HD22 LEU 45 1HD2 LEU 45 0.051 -3.869 -1.196 176 HD23 LEU 45 2HD2 LEU 45 -0.203 -5.525 -1.756 177 H LYS 46 H LYS 46 5.179 -4.825 -2.326 178 HA LYS 46 HA LYS 46 5.703 -2.295 -3.688 179 HB2 LYS 46 2HB LYS 46 7.416 -3.615 -2.503 180 HB3 LYS 46 3HB LYS 46 7.149 -4.948 -3.612 181 HG2 LYS 46 2HG LYS 46 7.813 -3.120 -5.491 182 HG3 LYS 46 3HG LYS 46 8.506 -2.285 -4.092 183 HD2 LYS 46 2HD LYS 46 10.259 -3.659 -4.929 184 HD3 LYS 46 3HD LYS 46 9.570 -4.501 -3.518 185 HE2 LYS 46 2HE LYS 46 8.178 -5.905 -5.086 186 HE3 LYS 46 3HE LYS 46 8.908 -5.069 -6.453 187 HZ1 LYS 46 3HZ LYS 46 10.412 -6.731 -4.498 188 HZ2 LYS 46 1HZ LYS 46 9.985 -7.203 -6.001 189 HZ3 LYS 46 2HZ LYS 46 11.057 -5.991 -5.808 190 H ASP 47 H ASP 47 5.582 -5.609 -5.090 191 HA ASP 47 HA ASP 47 5.824 -4.705 -7.709 192 HB2 ASP 47 2HB ASP 47 5.961 -7.047 -7.379 193 HB3 ASP 47 3HB ASP 47 4.525 -7.129 -6.397 194 H LEU 48 H LEU 48 2.679 -5.313 -6.089 195 HA LEU 48 HA LEU 48 1.329 -4.227 -8.313 196 HG LEU 48 HG LEU 48 -1.117 -3.565 -7.952 197 HB2 LEU 48 2HB LEU 48 0.095 -5.539 -6.749 198 HB3 LEU 48 3HB LEU 48 0.395 -4.423 -5.427 199 HD11 LEU 48 1HD1 LEU 48 -3.218 -3.867 -6.635 200 HD12 LEU 48 2HD1 LEU 48 -2.403 -5.376 -7.027 201 HD13 LEU 48 3HD1 LEU 48 -2.290 -4.671 -5.365 202 HD21 LEU 48 3HD2 LEU 48 -0.794 -2.488 -5.175 203 HD22 LEU 48 1HD2 LEU 48 -0.598 -1.676 -6.770 204 HD23 LEU 48 2HD2 LEU 48 -2.187 -2.042 -6.192 205 H ALA 49 H ALA 49 2.513 -2.510 -5.382 206 HA ALA 49 HA ALA 49 1.484 0.020 -6.005 207 HB1 ALA 49 1HB ALA 49 3.719 -1.114 -4.419 208 HB2 ALA 49 2HB ALA 49 3.915 0.549 -4.872 209 HB3 ALA 49 3HB ALA 49 2.421 0.039 -4.001 210 H ARG 50 H ARG 50 4.400 -1.527 -7.361 211 HA ARG 50 HA ARG 50 5.177 0.773 -8.940 212 HE ARG 50 HE ARG 50 9.264 -0.280 -6.956 213 HB2 ARG 50 2HB ARG 50 5.954 -1.981 -9.817 214 HB3 ARG 50 3HB ARG 50 6.854 -0.471 -9.886 215 HG2 ARG 50 2HG ARG 50 6.430 -2.351 -7.607 216 HG3 ARG 50 3HG ARG 50 7.898 -1.867 -8.244 217 HD2 ARG 50 2HD ARG 50 6.299 0.239 -6.870 218 HD3 ARG 50 3HD ARG 50 7.172 -0.946 -5.941 219 HH11 ARG 50 1HH1 ARG 50 6.787 2.264 -7.391 220 HH12 ARG 50 2HH1 ARG 50 8.062 3.346 -7.948 221 HH21 ARG 50 2HH2 ARG 50 10.668 1.328 -7.592 222 HH22 ARG 50 1HH2 ARG 50 9.998 2.917 -7.949 223 H GLU 51 H GLU 51 3.026 -1.958 -9.484 224 HA GLU 51 HA GLU 51 2.357 -1.503 -12.251 225 HB2 GLU 51 2HB GLU 51 0.486 -2.553 -10.100 226 HB3 GLU 51 3HB GLU 51 0.173 -2.552 -11.741 227 HG2 GLU 51 2HG GLU 51 2.635 -3.845 -10.540 228 HG3 GLU 51 3HG GLU 51 1.179 -4.704 -10.520 229 H ASN 52 H ASN 52 1.270 -0.066 -9.321 230 HA ASN 52 HA ASN 52 -1.072 1.124 -10.594 231 HB2 ASN 52 2HB ASN 52 -0.091 0.220 -7.941 232 HB3 ASN 52 3HB ASN 52 -1.038 1.593 -7.841 233 HD21 ASN 52 2HD2 ASN 52 -0.925 -1.670 -9.099 234 HD22 ASN 52 1HD2 ASN 52 -2.669 -1.924 -9.059 235 H SER 53 H SER 53 1.746 2.468 -8.904 236 HA SER 53 HA SER 53 2.346 4.724 -10.109 237 HG SER 53 HG SER 53 -0.682 6.382 -7.980 238 HB2 SER 53 2HB SER 53 1.167 6.624 -9.109 239 HB3 SER 53 3HB SER 53 0.078 5.708 -10.126 240 H LEU 54 H LEU 54 2.290 2.954 -7.289 241 HA LEU 54 HA LEU 54 3.043 5.135 -5.436 242 HG LEU 54 HG LEU 54 0.615 2.599 -4.797 243 HB2 LEU 54 2HB LEU 54 2.767 2.205 -5.164 244 HB3 LEU 54 3HB LEU 54 3.355 3.105 -3.837 245 HD11 LEU 54 1HD1 LEU 54 1.686 1.815 -2.577 246 HD12 LEU 54 2HD1 LEU 54 1.549 3.472 -2.020 247 HD13 LEU 54 3HD1 LEU 54 0.097 2.565 -2.445 248 HD21 LEU 54 3HD2 LEU 54 0.731 5.043 -5.290 249 HD22 LEU 54 1HD2 LEU 54 -0.431 4.608 -4.072 250 HD23 LEU 54 2HD2 LEU 54 1.120 5.332 -3.574 251 H GLU 55 H GLU 55 4.848 5.308 -4.539 252 HA GLU 55 HA GLU 55 7.264 3.762 -5.102 253 HB2 GLU 55 2HB GLU 55 7.095 5.393 -6.969 254 HB3 GLU 55 3HB GLU 55 7.166 6.731 -5.816 255 HG2 GLU 55 2HG GLU 55 9.366 6.355 -5.291 256 HG3 GLU 55 3HG GLU 55 9.277 4.622 -5.501 257 H THR 56 H THR 56 5.824 3.811 -2.989 258 HA THR 56 HA THR 56 6.283 5.642 -0.885 259 HB THR 56 HB THR 56 5.560 3.678 0.504 260 HG1 THR 56 1HG THR 56 6.450 2.048 -0.907 261 HG21 THR 56 1HG2 THR 56 3.340 3.296 -0.441 262 HG22 THR 56 2HG2 THR 56 3.795 4.990 -0.228 263 HG23 THR 56 3HG2 THR 56 3.822 4.260 -1.858 264 H THR 57 H THR 57 7.660 5.294 1.057 265 HA THR 57 HA THR 57 10.411 4.700 0.375 266 HB THR 57 HB THR 57 9.282 4.892 3.190 267 HG1 THR 57 1HG THR 57 9.048 6.908 3.023 268 HG21 THR 57 1HG2 THR 57 11.962 5.719 2.020 269 HG22 THR 57 2HG2 THR 57 11.427 5.994 3.696 270 HG23 THR 57 3HG2 THR 57 11.650 4.341 3.101 271 H PHE 58 H PHE 58 7.978 3.144 2.473 272 HA PHE 58 HA PHE 58 9.289 0.537 2.424 273 HD1 PHE 58 HD2 PHE 58 9.190 -0.251 6.254 274 HD2 PHE 58 HD1 PHE 58 9.288 3.970 5.444 275 HE1 PHE 58 HE2 PHE 58 8.283 0.192 8.520 276 HE2 PHE 58 HE1 PHE 58 8.432 4.415 7.744 277 HZ PHE 58 HZ PHE 58 7.902 2.538 9.261 278 HB2 PHE 58 2HB PHE 58 10.344 0.616 4.353 279 HB3 PHE 58 3HB PHE 58 10.535 2.296 4.034 280 H SER 59 H SER 59 8.344 -0.900 4.170 281 HA SER 59 HA SER 59 5.441 -0.426 4.539 282 HG SER 59 HG SER 59 7.109 -3.537 2.696 283 HB2 SER 59 2HB SER 59 4.852 -2.280 3.257 284 HB3 SER 59 3HB SER 59 6.234 -1.715 2.333 285 H SER 60 H SER 60 4.426 -2.073 5.900 286 HA SER 60 HA SER 60 6.191 -3.856 7.553 287 HG SER 60 HG SER 60 6.344 -1.513 8.444 288 HB2 SER 60 2HB SER 60 3.940 -2.042 8.479 289 HB3 SER 60 3HB SER 60 4.523 -3.433 9.419 290 H VAL 61 H VAL 61 5.718 -5.700 6.531 291 HA VAL 61 HA VAL 61 2.912 -6.648 6.332 292 HB VAL 61 HB VAL 61 4.765 -7.401 4.107 293 HG11 VAL 61 1HG1 VAL 61 1.877 -6.530 3.859 294 HG12 VAL 61 2HG1 VAL 61 2.820 -7.502 2.748 295 HG13 VAL 61 3HG1 VAL 61 2.291 -8.162 4.304 296 HG21 VAL 61 3HG2 VAL 61 4.151 -5.455 2.711 297 HG22 VAL 61 1HG2 VAL 61 3.529 -4.636 4.158 298 HG23 VAL 61 2HG2 VAL 61 5.233 -5.111 4.049 299 H ASN 62 H ASN 62 3.209 -9.104 5.324 300 HA ASN 62 HA ASN 62 3.712 -11.251 5.732 301 HB2 ASN 62 2HB ASN 62 6.209 -10.342 7.181 302 HB3 ASN 62 3HB ASN 62 5.873 -11.954 6.576 303 HD21 ASN 62 1HD2 ASN 62 7.055 -8.769 5.820 304 HD22 ASN 62 2HD2 ASN 62 7.637 -9.208 4.218 305 H THR 63 H THR 63 3.806 -9.006 8.393 306 HA THR 63 HA THR 63 3.233 -10.603 10.649 307 HB THR 63 HB THR 63 2.051 -8.480 11.430 308 HG1 THR 63 1HG THR 63 1.456 -7.746 9.329 309 HG21 THR 63 1HG2 THR 63 4.484 -8.826 11.804 310 HG22 THR 63 2HG2 THR 63 4.828 -8.079 10.221 311 HG23 THR 63 3HG2 THR 63 4.084 -7.120 11.524 312 H ARG 64 H ARG 64 1.514 -11.829 11.182 313 HA ARG 64 HA ARG 64 -0.867 -11.950 9.486 314 HE ARG 64 HE ARG 64 -1.653 -16.424 9.019 315 HB2 ARG 64 2HB ARG 64 -0.225 -13.437 12.062 316 HB3 ARG 64 3HB ARG 64 -1.649 -13.660 11.044 317 HG2 ARG 64 2HG ARG 64 -0.030 -14.209 9.114 318 HG3 ARG 64 3HG ARG 64 1.241 -14.266 10.340 319 HD2 ARG 64 2HD ARG 64 0.512 -16.507 9.973 320 HD3 ARG 64 3HD ARG 64 -0.109 -16.038 11.559 321 HH11 ARG 64 1HH2 ARG 64 -1.936 -15.765 12.476 322 HH12 ARG 64 2HH2 ARG 64 -3.674 -15.893 12.399 323 HH21 ARG 64 1HH1 ARG 64 -3.717 -16.535 9.012 324 HH22 ARG 64 2HH1 ARG 64 -4.668 -16.159 10.437 325 H ASP 65 H ASP 65 -1.254 -9.620 9.849 326 HA ASP 65 HA ASP 65 -2.455 -8.491 12.127 327 HB2 ASP 65 2HB ASP 65 -1.815 -7.503 9.816 328 HB3 ASP 65 3HB ASP 65 -3.367 -8.083 9.253 329 H PHE 66 H PHE 66 -3.771 -10.573 9.733 330 HA PHE 66 HA PHE 66 -5.815 -11.683 11.478 331 HD1 PHE 66 HD1 PHE 66 -7.390 -12.796 7.918 332 HD2 PHE 66 HD2 PHE 66 -6.042 -8.708 8.244 333 HE1 PHE 66 HE1 PHE 66 -6.949 -12.745 5.484 334 HE2 PHE 66 HE2 PHE 66 -5.683 -8.658 5.762 335 HZ PHE 66 HZ PHE 66 -6.093 -10.678 4.409 336 HB2 PHE 66 2HB PHE 66 -7.671 -11.516 10.006 337 HB3 PHE 66 3HB PHE 66 -7.058 -9.881 10.181 338 H ASP 67 H ASP 67 -4.201 -11.541 8.368 339 HA ASP 67 HA ASP 67 -2.909 -14.086 8.683 340 HB2 ASP 67 2HB ASP 67 -5.107 -14.751 7.556 341 HB3 ASP 67 3HB ASP 67 -4.603 -13.768 6.170 342 H GLY 68 H GLY 68 -3.660 -11.210 6.665 343 HA2 GLY 68 2HA GLY 68 -1.066 -10.216 7.025 344 HA3 GLY 68 3HA GLY 68 -1.048 -10.984 5.471 345 H THR 69 H THR 69 -1.202 -8.233 6.851 346 HA THR 69 HA THR 69 -2.389 -6.760 4.526 347 HB THR 69 HB THR 69 -3.045 -4.945 5.963 348 HG1 THR 69 1HG THR 69 -3.004 -5.529 8.314 349 HG21 THR 69 1HG2 THR 69 -4.697 -6.728 5.682 350 HG22 THR 69 2HG2 THR 69 -4.097 -7.554 7.129 351 HG23 THR 69 3HG2 THR 69 -4.849 -5.963 7.277 352 H GLY 70 H GLY 70 -1.245 -4.674 4.228 353 HA2 GLY 70 2HA GLY 70 1.515 -4.673 5.380 354 HA3 GLY 70 3HA GLY 70 1.258 -4.440 3.665 355 H ALA 71 H ALA 71 2.092 -2.834 6.206 356 HA ALA 71 HA ALA 71 0.396 -0.488 5.636 357 HB1 ALA 71 1HB ALA 71 1.978 -1.077 8.159 358 HB2 ALA 71 2HB ALA 71 0.683 0.122 7.919 359 HB3 ALA 71 3HB ALA 71 0.298 -1.592 7.886 360 H LEU 72 H LEU 72 1.231 1.047 4.463 361 HA LEU 72 HA LEU 72 4.107 1.042 3.670 362 HG LEU 72 HG LEU 72 2.392 0.716 0.531 363 HB2 LEU 72 2HB LEU 72 1.581 1.924 2.463 364 HB3 LEU 72 3HB LEU 72 3.041 2.621 1.942 365 HD11 LEU 72 1HD1 LEU 72 4.920 -0.114 1.878 366 HD12 LEU 72 2HD1 LEU 72 4.509 0.083 0.158 367 HD13 LEU 72 3HD1 LEU 72 4.826 1.483 1.171 368 HD21 LEU 72 3HD2 LEU 72 1.356 -0.785 2.176 369 HD22 LEU 72 1HD2 LEU 72 2.606 -1.577 1.199 370 HD23 LEU 72 2HD2 LEU 72 2.953 -1.112 2.876 371 H GLU 73 H GLU 73 5.182 3.018 3.380 372 HA GLU 73 HA GLU 73 4.144 5.479 4.813 373 HB2 GLU 73 2HB GLU 73 5.720 4.213 6.234 374 HB3 GLU 73 3HB GLU 73 6.937 4.288 4.966 375 HG2 GLU 73 2HG GLU 73 5.952 6.966 5.766 376 HG3 GLU 73 3HG GLU 73 6.608 6.056 7.110 377 H PHE 74 H PHE 74 4.795 7.503 3.991 378 HA PHE 74 HA PHE 74 7.075 7.659 2.222 379 HD1 PHE 74 HD2 PHE 74 7.607 7.089 0.032 380 HD2 PHE 74 HD1 PHE 74 5.445 10.779 -0.211 381 HE1 PHE 74 HE2 PHE 74 9.302 7.964 -1.539 382 HE2 PHE 74 HE1 PHE 74 7.171 11.700 -1.735 383 HZ PHE 74 HZ PHE 74 9.105 10.287 -2.410 384 HB2 PHE 74 2HB PHE 74 4.775 7.551 0.730 385 HB3 PHE 74 3HB PHE 74 4.719 9.195 1.237 386 HA PRO 75 HA PRO 75 7.506 11.531 4.515 387 HB2 PRO 75 2HB PRO 75 8.868 13.037 2.544 388 HB3 PRO 75 3HB PRO 75 9.573 11.992 3.813 389 HG2 PRO 75 2HG PRO 75 8.957 11.311 0.942 390 HG3 PRO 75 3HG PRO 75 10.417 10.901 1.907 391 HD2 PRO 75 2HD PRO 75 8.539 9.066 1.568 392 HD3 PRO 75 3HD PRO 75 9.218 9.292 3.187 393 H SER 76 H SER 76 5.840 11.512 1.340 394 HA SER 76 HA SER 76 4.539 14.111 2.088 395 HG SER 76 HG SER 76 6.190 15.074 -0.765 396 HB2 SER 76 2HB SER 76 5.183 12.896 -0.604 397 HB3 SER 76 3HB SER 76 4.238 14.337 -0.406 398 H GLU 77 H GLU 77 2.452 14.148 2.284 399 HA GLU 77 HA GLU 77 0.807 11.942 2.102 400 HB2 GLU 77 2HB GLU 77 -1.089 13.479 2.308 401 HB3 GLU 77 3HB GLU 77 0.255 13.952 3.339 402 HG2 GLU 77 2HG GLU 77 0.941 15.637 1.596 403 HG3 GLU 77 3HG GLU 77 -0.544 15.254 0.714 404 H GLU 78 H GLU 78 1.885 13.815 -0.549 405 HA GLU 78 HA GLU 78 0.101 13.425 -2.636 406 HB2 GLU 78 2HB GLU 78 3.121 12.927 -2.583 407 HB3 GLU 78 3HB GLU 78 2.163 13.170 -4.048 408 HG2 GLU 78 2HG GLU 78 1.652 15.469 -3.391 409 HG3 GLU 78 3HG GLU 78 2.429 15.249 -1.822 410 H ILE 79 H ILE 79 2.473 10.955 -1.474 411 HA ILE 79 HA ILE 79 1.537 8.916 -3.323 412 HB ILE 79 HB ILE 79 3.386 8.742 -0.922 413 HG12 ILE 79 2HG1 ILE 79 3.699 9.752 -3.684 414 HG13 ILE 79 3HG1 ILE 79 4.500 10.206 -2.251 415 HG21 ILE 79 1HG2 ILE 79 2.532 6.485 -1.604 416 HG22 ILE 79 2HG2 ILE 79 3.202 6.749 -3.218 417 HG23 ILE 79 3HG2 ILE 79 4.259 6.653 -1.774 418 HD11 ILE 79 3HD1 ILE 79 6.109 9.360 -3.766 419 HD12 ILE 79 1HD1 ILE 79 5.932 8.086 -2.547 420 HD13 ILE 79 2HD1 ILE 79 5.150 7.908 -4.132 421 H LEU 80 H LEU 80 0.818 9.746 0.002 422 HA LEU 80 HA LEU 80 -0.609 7.397 0.723 423 HG LEU 80 HG LEU 80 -2.683 10.160 1.926 424 HB2 LEU 80 2HB LEU 80 -0.135 8.587 2.552 425 HB3 LEU 80 3HB LEU 80 -0.178 10.126 1.764 426 HD11 LEU 80 1HD1 LEU 80 -2.892 7.636 2.334 427 HD12 LEU 80 2HD1 LEU 80 -2.327 7.987 3.988 428 HD13 LEU 80 3HD1 LEU 80 -3.830 8.711 3.391 429 HD21 LEU 80 3HD2 LEU 80 -1.161 9.895 4.536 430 HD22 LEU 80 1HD2 LEU 80 -1.274 11.366 3.534 431 HD23 LEU 80 2HD2 LEU 80 -2.730 10.696 4.302 432 H VAL 81 H VAL 81 -1.631 10.538 -0.641 433 HA VAL 81 HA VAL 81 -4.479 9.938 -0.680 434 HB VAL 81 HB VAL 81 -2.784 12.112 -2.024 435 HG11 VAL 81 1HG1 VAL 81 -5.827 11.949 -1.854 436 HG12 VAL 81 2HG1 VAL 81 -4.906 13.384 -2.359 437 HG13 VAL 81 3HG1 VAL 81 -4.843 11.920 -3.333 438 HG21 VAL 81 3HG2 VAL 81 -2.940 12.214 0.478 439 HG22 VAL 81 1HG2 VAL 81 -3.652 13.609 -0.327 440 HG23 VAL 81 2HG2 VAL 81 -4.702 12.326 0.329 441 H GLU 82 H GLU 82 -1.843 9.772 -3.011 442 HA GLU 82 HA GLU 82 -3.222 8.931 -5.271 443 HB2 GLU 82 2HB GLU 82 -0.573 8.717 -3.915 444 HB3 GLU 82 3HB GLU 82 -0.909 7.429 -4.916 445 HG2 GLU 82 2HG GLU 82 -0.848 10.371 -5.598 446 HG3 GLU 82 3HG GLU 82 0.404 9.196 -6.014 447 H ALA 83 H ALA 83 -1.619 6.696 -2.865 448 HA ALA 83 HA ALA 83 -2.922 4.351 -3.689 449 HB1 ALA 83 1HB ALA 83 -2.311 3.389 -1.628 450 HB2 ALA 83 2HB ALA 83 -1.062 4.593 -1.993 451 HB3 ALA 83 3HB ALA 83 -2.297 4.966 -0.786 452 H LEU 84 H LEU 84 -4.240 6.686 -1.388 453 HA LEU 84 HA LEU 84 -6.590 5.168 -0.580 454 HG LEU 84 HG LEU 84 -4.824 7.877 1.222 455 HB2 LEU 84 2HB LEU 84 -6.111 8.167 -0.507 456 HB3 LEU 84 3HB LEU 84 -7.480 7.384 0.158 457 HD11 LEU 84 1HD1 LEU 84 -7.414 7.005 2.507 458 HD12 LEU 84 2HD1 LEU 84 -5.993 7.695 3.339 459 HD13 LEU 84 3HD1 LEU 84 -6.897 8.678 2.176 460 HD21 LEU 84 3HD2 LEU 84 -4.723 5.818 2.623 461 HD22 LEU 84 1HD2 LEU 84 -5.974 5.107 1.524 462 HD23 LEU 84 2HD2 LEU 84 -4.369 5.538 0.906 463 H GLU 85 H GLU 85 -5.914 7.251 -3.330 464 HA GLU 85 HA GLU 85 -8.675 6.763 -4.221 465 HB2 GLU 85 2HB GLU 85 -6.454 8.541 -5.321 466 HB3 GLU 85 3HB GLU 85 -8.056 8.395 -6.063 467 HG2 GLU 85 2HG GLU 85 -9.119 9.354 -4.108 468 HG3 GLU 85 3HG GLU 85 -7.574 9.458 -3.258 469 H ARG 86 H ARG 86 -5.652 5.183 -4.636 470 HA ARG 86 HA ARG 86 -6.131 4.478 -7.508 471 HE ARG 86 HE ARG 86 -3.288 8.340 -8.598 472 HB2 ARG 86 2HB ARG 86 -3.759 5.178 -5.805 473 HB3 ARG 86 3HB ARG 86 -3.471 3.926 -6.782 474 HG2 ARG 86 2HG ARG 86 -2.802 5.931 -7.892 475 HG3 ARG 86 3HG ARG 86 -4.183 5.318 -8.824 476 HD2 ARG 86 2HD ARG 86 -5.708 6.848 -7.687 477 HD3 ARG 86 3HD ARG 86 -4.410 7.360 -6.590 478 HH11 ARG 86 2HH1 ARG 86 -6.747 8.456 -8.066 479 HH12 ARG 86 1HH1 ARG 86 -6.696 10.148 -7.645 480 HH21 ARG 86 1HH2 ARG 86 -3.380 10.512 -8.391 481 HH22 ARG 86 2HH2 ARG 86 -4.936 11.334 -8.284 482 H LEU 87 H LEU 87 -5.459 3.119 -4.307 483 HA LEU 87 HA LEU 87 -5.783 0.397 -5.358 484 HG LEU 87 HG LEU 87 -3.412 -0.098 -5.505 485 HB2 LEU 87 2HB LEU 87 -4.043 1.553 -3.137 486 HB3 LEU 87 3HB LEU 87 -4.447 -0.094 -3.268 487 HD11 LEU 87 1HD1 LEU 87 -3.277 1.772 -6.462 488 HD12 LEU 87 2HD1 LEU 87 -2.883 2.698 -4.971 489 HD13 LEU 87 3HD1 LEU 87 -1.631 1.760 -5.789 490 HD21 LEU 87 3HD2 LEU 87 -2.161 -0.895 -3.520 491 HD22 LEU 87 1HD2 LEU 87 -1.070 -0.124 -4.676 492 HD23 LEU 87 2HD2 LEU 87 -1.593 0.767 -3.227 493 H ASN 88 H ASN 88 -7.629 2.664 -3.833 494 HA ASN 88 HA ASN 88 -8.432 1.051 -1.566 495 HB2 ASN 88 2HB ASN 88 -8.500 3.513 -1.464 496 HB3 ASN 88 3HB ASN 88 -9.825 3.514 -2.644 497 HD21 ASN 88 2HD2 ASN 88 -11.396 4.296 -1.183 498 HD22 ASN 88 1HD2 ASN 88 -11.776 3.459 0.309 499 H ASN 89 H ASN 89 -9.010 -0.858 -2.240 500 HA ASN 89 HA ASN 89 -10.356 -2.533 -2.615 501 HB2 ASN 89 2HB ASN 89 -12.066 -1.172 -1.444 502 HB3 ASN 89 3HB ASN 89 -12.766 -0.780 -3.017 503 HD21 ASN 89 2HD2 ASN 89 -11.709 -3.408 -0.823 504 HD22 ASN 89 1HD2 ASN 89 -12.677 -4.670 -1.563 505 H ILE 90 H ILE 90 -8.766 -2.524 -4.165 506 HA ILE 90 HA ILE 90 -9.741 -2.571 -7.012 507 HB ILE 90 HB ILE 90 -7.405 -2.138 -7.723 508 HG12 ILE 90 2HG1 ILE 90 -6.487 -1.605 -4.936 509 HG13 ILE 90 3HG1 ILE 90 -6.391 -3.222 -5.556 510 HG21 ILE 90 1HG2 ILE 90 -9.021 -0.316 -7.339 511 HG22 ILE 90 2HG2 ILE 90 -8.307 -0.048 -5.736 512 HG23 ILE 90 3HG2 ILE 90 -7.329 0.152 -7.212 513 HD11 ILE 90 3HD1 ILE 90 -4.345 -2.078 -5.911 514 HD12 ILE 90 1HD1 ILE 90 -5.071 -2.645 -7.424 515 HD13 ILE 90 2HD1 ILE 90 -5.136 -0.912 -7.006 516 H GLU 91 H GLU 91 -9.162 -4.360 -8.254 517 HA GLU 91 HA GLU 91 -8.487 -6.801 -6.759 518 HB2 GLU 91 2HB GLU 91 -10.243 -6.740 -8.526 519 HB3 GLU 91 3HB GLU 91 -8.926 -6.394 -9.640 520 HG2 GLU 91 2HG GLU 91 -7.906 -8.625 -8.556 521 HG3 GLU 91 3HG GLU 91 -9.604 -8.931 -8.222 522 H PHE 92 H PHE 92 -6.565 -7.105 -6.222 523 HA PHE 92 HA PHE 92 -4.138 -6.342 -7.654 524 HD1 PHE 92 HD1 PHE 92 -1.989 -7.739 -7.507 525 HD2 PHE 92 HD2 PHE 92 -2.929 -7.464 -3.296 526 HE1 PHE 92 HE1 PHE 92 0.388 -8.167 -6.938 527 HE2 PHE 92 HE2 PHE 92 -0.549 -7.917 -2.749 528 HZ PHE 92 HZ PHE 92 1.086 -8.256 -4.594 529 HB2 PHE 92 2HB PHE 92 -4.402 -6.360 -5.188 530 HB3 PHE 92 3HB PHE 92 -4.706 -7.974 -5.168 531 H ARG 93 H ARG 93 -5.074 -7.432 -9.567 532 HA ARG 93 HA ARG 93 -5.090 -8.970 -11.188 533 HE ARG 93 HE ARG 93 0.153 -7.285 -12.428 534 HB2 ARG 93 2HB ARG 93 -2.691 -10.143 -9.746 535 HB3 ARG 93 3HB ARG 93 -3.115 -10.361 -11.451 536 HG2 ARG 93 2HG ARG 93 -2.883 -7.755 -11.625 537 HG3 ARG 93 3HG ARG 93 -2.010 -7.908 -10.087 538 HD2 ARG 93 2HD ARG 93 -0.754 -9.887 -11.383 539 HD3 ARG 93 3HD ARG 93 -1.349 -9.058 -12.816 540 HH11 ARG 93 2HH2 ARG 93 0.280 -9.381 -9.567 541 HH12 ARG 93 1HH2 ARG 93 1.843 -8.676 -9.130 542 HH21 ARG 93 1HH1 ARG 93 2.070 -6.651 -11.816 543 HH22 ARG 93 2HH1 ARG 93 2.866 -7.298 -10.363 544 H GLY 94 H GLY 94 -6.173 -10.044 -8.364 545 HA2 GLY 94 2HA GLY 94 -7.484 -12.414 -8.963 546 HA3 GLY 94 3HA GLY 94 -5.839 -12.918 -8.521 547 H SER 95 H SER 95 -5.586 -10.529 -6.535 548 HA SER 95 HA SER 95 -7.381 -11.497 -4.363 549 HG SER 95 HG SER 95 -4.048 -11.688 -3.143 550 HB2 SER 95 2HB SER 95 -4.739 -9.954 -4.383 551 HB3 SER 95 3HB SER 95 -5.738 -10.263 -2.946 552 H VAL 96 H VAL 96 -7.563 -9.246 -2.990 553 HA VAL 96 HA VAL 96 -7.647 -6.897 -4.698 554 HB VAL 96 HB VAL 96 -9.743 -6.709 -5.170 555 HG11 VAL 96 1HG1 VAL 96 -10.415 -9.059 -3.467 556 HG12 VAL 96 2HG1 VAL 96 -11.525 -8.213 -4.588 557 HG13 VAL 96 3HG1 VAL 96 -10.079 -8.980 -5.231 558 HG21 VAL 96 3HG2 VAL 96 -10.499 -6.536 -2.279 559 HG22 VAL 96 1HG2 VAL 96 -9.967 -5.201 -3.327 560 HG23 VAL 96 2HG2 VAL 96 -11.462 -6.052 -3.681 561 H ILE 97 H ILE 97 -7.504 -4.975 -3.422 562 HA ILE 97 HA ILE 97 -7.170 -5.273 -0.470 563 HB ILE 97 HB ILE 97 -5.321 -3.484 -0.752 564 HG12 ILE 97 2HG1 ILE 97 -5.023 -4.870 -3.425 565 HG13 ILE 97 3HG1 ILE 97 -5.600 -3.212 -3.207 566 HG21 ILE 97 1HG2 ILE 97 -5.033 -5.757 0.208 567 HG22 ILE 97 2HG2 ILE 97 -4.601 -6.355 -1.409 568 HG23 ILE 97 3HG2 ILE 97 -3.600 -5.117 -0.578 569 HD11 ILE 97 3HD1 ILE 97 -2.813 -4.250 -2.578 570 HD12 ILE 97 1HD1 ILE 97 -3.295 -3.105 -3.838 571 HD13 ILE 97 2HD1 ILE 97 -3.412 -2.628 -2.135 572 H THR 98 H THR 98 -7.897 -3.706 0.690 573 HA THR 98 HA THR 98 -9.073 -1.194 -0.404 574 HB THR 98 HB THR 98 -9.363 -2.483 2.313 575 HG1 THR 98 1HG THR 98 -11.327 -3.282 1.580 576 HG21 THR 98 1HG2 THR 98 -9.991 -0.082 2.234 577 HG22 THR 98 2HG2 THR 98 -11.140 -0.452 0.923 578 HG23 THR 98 3HG2 THR 98 -11.381 -1.133 2.542 579 H VAL 99 H VAL 99 -8.261 0.801 0.562 580 HA VAL 99 HA VAL 99 -5.933 0.473 2.368 581 HB VAL 99 HB VAL 99 -4.378 1.687 1.111 582 HG11 VAL 99 1HG1 VAL 99 -3.923 0.217 -0.742 583 HG12 VAL 99 2HG1 VAL 99 -4.618 -0.739 0.567 584 HG13 VAL 99 3HG1 VAL 99 -5.609 -0.323 -0.815 585 HG21 VAL 99 3HG2 VAL 99 -6.565 1.992 -0.931 586 HG22 VAL 99 1HG2 VAL 99 -5.742 3.283 -0.030 587 HG23 VAL 99 2HG2 VAL 99 -4.840 2.348 -1.221 588 H GLU 100 H GLU 100 -5.376 2.143 3.575 589 HA GLU 100 HA GLU 100 -6.765 4.744 3.513 590 HB2 GLU 100 2HB GLU 100 -8.033 4.319 5.608 591 HB3 GLU 100 3HB GLU 100 -8.628 3.284 4.318 592 HG2 GLU 100 2HG GLU 100 -7.290 1.381 5.284 593 HG3 GLU 100 3HG GLU 100 -6.789 2.430 6.608 594 H ARG 101 H ARG 101 -6.193 6.120 5.191 595 HA ARG 101 HA ARG 101 -3.515 5.883 6.082 596 HE ARG 101 HE ARG 101 -6.801 6.739 8.842 597 HB2 ARG 101 2HB ARG 101 -3.815 7.961 7.140 598 HB3 ARG 101 3HB ARG 101 -4.483 7.960 5.539 599 HG2 ARG 101 2HG ARG 101 -5.725 8.553 8.120 600 HG3 ARG 101 3HG ARG 101 -5.959 9.269 6.554 601 HD2 ARG 101 2HD ARG 101 -8.030 8.456 7.047 602 HD3 ARG 101 3HD ARG 101 -7.408 7.170 6.024 603 HH11 ARG 101 2HH1 ARG 101 -9.621 6.404 6.734 604 HH12 ARG 101 1HH1 ARG 101 -9.912 4.776 7.359 605 HH21 ARG 101 1HH2 ARG 101 -7.258 4.661 9.346 606 HH22 ARG 101 2HH2 ARG 101 -8.723 3.903 8.768 607 H ASP 102 H ASP 102 -2.539 5.691 8.030 608 HA ASP 102 HA ASP 102 -4.037 4.093 10.076 609 HB2 ASP 102 2HB ASP 102 -2.957 2.668 8.396 610 HB3 ASP 102 3HB ASP 102 -1.373 3.349 8.812 611 H ASP 103 H ASP 103 -1.220 6.217 9.480 612 HA ASP 103 HA ASP 103 -0.739 6.463 12.390 613 HB2 ASP 103 2HB ASP 103 0.966 7.912 11.924 614 HB3 ASP 103 3HB ASP 103 1.041 6.846 10.533 615 H ASN 104 H ASN 104 -3.231 7.281 10.471 616 HA ASN 104 HA ASN 104 -4.117 9.718 11.874 617 HB2 ASN 104 2HB ASN 104 -2.560 10.080 9.782 618 HB3 ASN 104 3HB ASN 104 -3.954 9.614 8.837 619 HD21 ASN 104 1HD2 ASN 104 -5.982 10.954 10.348 620 HD22 ASN 104 2HD2 ASN 104 -5.692 12.692 10.123 Start of MODEL 17 1 HA PRO 25 HA PRO 25 10.365 13.534 8.534 2 HB2 PRO 25 2HB PRO 25 9.999 12.895 5.592 3 HB3 PRO 25 3HB PRO 25 11.508 13.072 6.535 4 HG2 PRO 25 2HG PRO 25 9.931 10.673 6.062 5 HG3 PRO 25 3HG PRO 25 11.375 10.800 7.105 6 HD2 PRO 25 2HD PRO 25 8.842 10.259 8.094 7 HD3 PRO 25 3HD PRO 25 10.112 11.090 9.017 8 H ALA 26 H ALA 26 9.414 14.756 5.409 9 HA ALA 26 HA ALA 26 8.538 17.319 6.319 10 HB1 ALA 26 1HB ALA 26 9.363 16.797 4.034 11 HB2 ALA 26 2HB ALA 26 7.904 15.817 3.733 12 HB3 ALA 26 3HB ALA 26 7.759 17.566 3.990 13 H LYS 27 H LYS 27 6.772 14.470 5.279 14 HA LYS 27 HA LYS 27 4.550 14.933 7.210 15 HB2 LYS 27 2HB LYS 27 4.286 14.523 4.325 16 HB3 LYS 27 3HB LYS 27 3.751 13.079 5.136 17 HG2 LYS 27 2HG LYS 27 2.739 15.872 5.758 18 HG3 LYS 27 3HG LYS 27 1.935 14.705 4.715 19 HD2 LYS 27 2HD LYS 27 2.543 13.977 7.596 20 HD3 LYS 27 3HD LYS 27 1.166 14.987 7.218 21 HE2 LYS 27 2HE LYS 27 1.371 12.519 5.570 22 HE3 LYS 27 3HE LYS 27 1.189 12.234 7.312 23 HZ1 LYS 27 3HZ LYS 27 -0.793 13.443 7.370 24 HZ2 LYS 27 1HZ LYS 27 -0.634 14.068 5.845 25 HZ3 LYS 27 2HZ LYS 27 -0.963 12.466 6.091 26 H ARG 28 H ARG 28 3.999 12.975 8.290 27 HA ARG 28 HA ARG 28 5.381 10.561 7.329 28 HE ARG 28 HE ARG 28 4.175 8.484 11.637 29 HB2 ARG 28 2HB ARG 28 6.233 9.813 9.257 30 HB3 ARG 28 3HB ARG 28 6.678 11.489 9.342 31 HG2 ARG 28 2HG ARG 28 5.525 11.919 11.231 32 HG3 ARG 28 3HG ARG 28 4.164 10.869 10.833 33 HD2 ARG 28 2HD ARG 28 6.916 9.796 11.493 34 HD3 ARG 28 3HD ARG 28 5.681 10.095 12.733 35 HH11 ARG 28 1HH1 ARG 28 7.533 8.060 10.693 36 HH12 ARG 28 2HH1 ARG 28 7.147 6.654 9.722 37 HH21 ARG 28 1HH2 ARG 28 3.796 6.686 10.538 38 HH22 ARG 28 2HH2 ARG 28 5.124 5.851 9.703 39 H TYR 29 H TYR 29 4.191 8.879 7.236 40 HA TYR 29 HA TYR 29 1.627 8.729 8.602 41 HD1 TYR 29 HD2 TYR 29 0.534 6.752 5.453 42 HD2 TYR 29 HD1 TYR 29 2.665 10.399 4.427 43 HE1 TYR 29 HE2 TYR 29 1.195 5.742 3.289 44 HE2 TYR 29 HE1 TYR 29 3.039 9.510 2.230 45 HH TYR 29 HH TYR 29 2.860 7.579 0.800 46 HB2 TYR 29 2HB TYR 29 0.242 8.867 6.697 47 HB3 TYR 29 3HB TYR 29 1.321 10.213 6.501 48 H ARG 30 H ARG 30 0.652 6.719 8.290 49 HA ARG 30 HA ARG 30 2.034 4.632 6.687 50 HE ARG 30 HE ARG 30 4.535 3.387 8.374 51 HB2 ARG 30 2HB ARG 30 2.645 4.476 9.134 52 HB3 ARG 30 3HB ARG 30 0.940 4.399 9.485 53 HG2 ARG 30 2HG ARG 30 1.746 2.173 9.641 54 HG3 ARG 30 3HG ARG 30 0.789 2.259 8.161 55 HD2 ARG 30 2HD ARG 30 2.813 1.010 7.751 56 HD3 ARG 30 3HD ARG 30 2.880 2.504 6.846 57 HH11 ARG 30 1HH2 ARG 30 3.893 0.021 8.922 58 HH12 ARG 30 2HH2 ARG 30 5.417 -0.251 9.708 59 HH21 ARG 30 2HH1 ARG 30 6.270 3.119 9.480 60 HH22 ARG 30 1HH1 ARG 30 6.676 1.578 10.252 61 H ILE 31 H ILE 31 0.582 3.518 5.472 62 HA ILE 31 HA ILE 31 -2.343 3.771 6.087 63 HB ILE 31 HB ILE 31 -2.815 3.065 3.790 64 HG12 ILE 31 2HG1 ILE 31 0.107 3.524 3.110 65 HG13 ILE 31 3HG1 ILE 31 -0.598 1.919 3.369 66 HG21 ILE 31 1HG2 ILE 31 -1.122 5.573 3.877 67 HG22 ILE 31 2HG2 ILE 31 -2.400 5.189 2.711 68 HG23 ILE 31 3HG2 ILE 31 -2.816 5.422 4.410 69 HD11 ILE 31 3HD1 ILE 31 -2.260 2.361 1.595 70 HD12 ILE 31 1HD1 ILE 31 -1.383 3.874 1.224 71 HD13 ILE 31 2HD1 ILE 31 -0.572 2.317 1.025 72 H THR 32 H THR 32 -3.557 2.039 5.885 73 HA THR 32 HA THR 32 -2.571 -0.752 6.395 74 HB THR 32 HB THR 32 -5.298 0.512 6.255 75 HG1 THR 32 1HG THR 32 -3.908 0.268 8.661 76 HG21 THR 32 1HG2 THR 32 -5.980 -1.352 7.801 77 HG22 THR 32 2HG2 THR 32 -5.357 -1.924 6.249 78 HG23 THR 32 3HG2 THR 32 -4.322 -1.997 7.698 79 H MET 33 H MET 33 -2.720 -2.233 4.865 80 HA MET 33 HA MET 33 -4.617 -1.863 2.691 81 HB2 MET 33 2HB MET 33 -1.831 -2.932 2.044 82 HB3 MET 33 3HB MET 33 -3.168 -2.498 0.980 83 HG2 MET 33 2HG MET 33 -2.748 -0.093 2.053 84 HG3 MET 33 3HG MET 33 -1.175 -0.803 2.364 85 HE1 MET 33 3HE MET 33 -0.585 -1.652 -1.671 86 HE2 MET 33 1HE MET 33 -0.255 -2.295 -0.038 87 HE3 MET 33 2HE MET 33 -1.871 -2.493 -0.769 88 H LYS 34 H LYS 34 -5.932 -3.268 3.159 89 HA LYS 34 HA LYS 34 -5.248 -6.002 4.199 90 HB2 LYS 34 2HB LYS 34 -5.360 -4.201 5.927 91 HB3 LYS 34 3HB LYS 34 -6.752 -3.535 5.067 92 HG2 LYS 34 2HG LYS 34 -7.252 -6.075 6.340 93 HG3 LYS 34 3HG LYS 34 -6.974 -4.620 7.336 94 HD2 LYS 34 2HD LYS 34 -9.023 -4.645 5.068 95 HD3 LYS 34 3HD LYS 34 -9.452 -5.054 6.668 96 HE2 LYS 34 2HE LYS 34 -9.704 -2.840 7.120 97 HE3 LYS 34 3HE LYS 34 -7.960 -2.620 6.894 98 HZ1 LYS 34 3HZ LYS 34 -9.114 -1.185 5.397 99 HZ2 LYS 34 1HZ LYS 34 -8.388 -2.309 4.504 100 HZ3 LYS 34 2HZ LYS 34 -10.022 -2.406 4.777 101 H ASN 35 H ASN 35 -7.026 -7.410 4.139 102 HA ASN 35 HA ASN 35 -9.563 -6.505 4.209 103 HB2 ASN 35 2HB ASN 35 -9.848 -5.852 2.032 104 HB3 ASN 35 3HB ASN 35 -8.656 -6.932 1.407 105 HD21 ASN 35 2HD2 ASN 35 -9.509 -8.472 0.083 106 HD22 ASN 35 1HD2 ASN 35 -11.192 -8.994 0.121 107 H LEU 36 H LEU 36 -11.184 -8.658 3.986 108 HA LEU 36 HA LEU 36 -9.860 -10.619 5.669 109 HG LEU 36 HG LEU 36 -12.250 -8.840 6.261 110 HB2 LEU 36 2HB LEU 36 -12.663 -10.544 4.515 111 HB3 LEU 36 3HB LEU 36 -12.069 -11.812 5.585 112 HD11 LEU 36 1HD1 LEU 36 -14.444 -9.950 6.060 113 HD12 LEU 36 2HD1 LEU 36 -13.922 -11.209 7.198 114 HD13 LEU 36 3HD1 LEU 36 -14.090 -9.522 7.740 115 HD21 LEU 36 3HD2 LEU 36 -11.483 -11.228 8.002 116 HD22 LEU 36 1HD2 LEU 36 -10.452 -9.838 7.585 117 HD23 LEU 36 2HD2 LEU 36 -11.862 -9.603 8.613 118 HA PRO 37 HA PRO 37 -9.553 -13.521 1.981 119 HB2 PRO 37 2HB PRO 37 -10.581 -13.009 -0.484 120 HB3 PRO 37 3HB PRO 37 -11.514 -13.756 0.838 121 HG2 PRO 37 2HG PRO 37 -11.490 -10.852 0.004 122 HG3 PRO 37 3HG PRO 37 -12.903 -11.894 0.337 123 HD2 PRO 37 2HD PRO 37 -11.908 -10.204 2.234 124 HD3 PRO 37 3HD PRO 37 -12.564 -11.808 2.650 125 H GLU 38 H GLU 38 -7.654 -12.398 2.620 126 HA GLU 38 HA GLU 38 -5.552 -12.522 1.898 127 HB2 GLU 38 2HB GLU 38 -6.348 -12.616 -0.437 128 HB3 GLU 38 3HB GLU 38 -6.207 -10.841 -0.507 129 HG2 GLU 38 2HG GLU 38 -4.296 -11.901 -1.577 130 HG3 GLU 38 3HG GLU 38 -3.811 -10.972 -0.184 131 H GLY 39 H GLY 39 -3.752 -11.491 2.278 132 HA2 GLY 39 2HA GLY 39 -3.642 -8.523 2.546 133 HA3 GLY 39 3HA GLY 39 -3.134 -9.535 3.894 134 H CYS 40 H CYS 40 -2.247 -11.345 1.271 135 HA CYS 40 HA CYS 40 -0.250 -12.002 0.483 136 HG CYS 40 HG CYS 40 -2.464 -10.432 -1.272 137 HB2 CYS 40 2HB CYS 40 -0.422 -9.133 -0.414 138 HB3 CYS 40 3HB CYS 40 0.775 -10.313 -0.991 139 H SER 41 H SER 41 1.942 -9.824 0.254 140 HA SER 41 HA SER 41 3.361 -9.964 2.827 141 HG SER 41 HG SER 41 3.029 -12.493 2.244 142 HB2 SER 41 2HB SER 41 4.100 -11.559 0.337 143 HB3 SER 41 3HB SER 41 5.336 -11.027 1.499 144 H TRP 42 H TRP 42 5.587 -8.728 2.472 145 HA TRP 42 HA TRP 42 4.887 -6.326 1.225 146 HD1 TRP 42 HD1 TRP 42 9.510 -5.359 1.714 147 HE1 TRP 42 HE1 TRP 42 9.696 -3.148 0.435 148 HE3 TRP 42 HE3 TRP 42 4.510 -4.410 0.865 149 HZ2 TRP 42 HZ2 TRP 42 7.943 -1.388 -1.049 150 HZ3 TRP 42 HZ3 TRP 42 3.840 -2.606 -0.640 151 HH2 TRP 42 HH2 TRP 42 5.489 -1.099 -1.611 152 HB2 TRP 42 2HB TRP 42 6.556 -6.302 2.952 153 HB3 TRP 42 3HB TRP 42 7.672 -7.209 1.956 154 H GLN 43 H GLN 43 7.176 -8.756 -0.195 155 HA GLN 43 HA GLN 43 7.489 -7.156 -2.482 156 HB2 GLN 43 2HB GLN 43 8.662 -8.998 -3.495 157 HB3 GLN 43 3HB GLN 43 9.033 -8.970 -1.782 158 HG2 GLN 43 2HG GLN 43 8.618 -11.188 -1.868 159 HG3 GLN 43 3HG GLN 43 6.936 -10.724 -1.712 160 HE21 GLN 43 2HE2 GLN 43 5.697 -12.007 -3.160 161 HE22 GLN 43 1HE2 GLN 43 6.278 -12.460 -4.760 162 H ASP 44 H ASP 44 4.811 -8.988 -1.744 163 HA ASP 44 HA ASP 44 3.741 -9.281 -4.476 164 HB2 ASP 44 2HB ASP 44 2.794 -9.807 -1.639 165 HB3 ASP 44 3HB ASP 44 1.739 -9.881 -2.987 166 H LEU 45 H LEU 45 3.221 -7.295 -1.552 167 HA LEU 45 HA LEU 45 1.192 -5.598 -2.718 168 HG LEU 45 HG LEU 45 0.983 -7.022 -0.133 169 HB2 LEU 45 2HB LEU 45 2.996 -5.607 -0.278 170 HB3 LEU 45 3HB LEU 45 2.029 -4.208 -0.625 171 HD11 LEU 45 1HD1 LEU 45 0.145 -5.907 1.943 172 HD12 LEU 45 2HD1 LEU 45 1.906 -5.741 1.787 173 HD13 LEU 45 3HD1 LEU 45 0.880 -4.362 1.381 174 HD21 LEU 45 3HD2 LEU 45 -1.274 -5.896 -0.032 175 HD22 LEU 45 1HD2 LEU 45 -0.520 -4.417 -0.668 176 HD23 LEU 45 2HD2 LEU 45 -0.590 -5.861 -1.657 177 H LYS 46 H LYS 46 4.675 -5.428 -2.546 178 HA LYS 46 HA LYS 46 5.169 -2.775 -3.831 179 HB2 LYS 46 2HB LYS 46 6.757 -4.295 -2.481 180 HB3 LYS 46 3HB LYS 46 6.732 -5.412 -3.834 181 HG2 LYS 46 2HG LYS 46 7.541 -2.506 -4.070 182 HG3 LYS 46 3HG LYS 46 8.678 -3.767 -3.631 183 HD2 LYS 46 2HD LYS 46 7.146 -3.815 -6.284 184 HD3 LYS 46 3HD LYS 46 8.663 -3.008 -5.977 185 HE2 LYS 46 2HE LYS 46 9.404 -5.010 -6.868 186 HE3 LYS 46 3HE LYS 46 9.527 -5.327 -5.139 187 HZ1 LYS 46 3HZ LYS 46 7.377 -6.306 -6.981 188 HZ2 LYS 46 1HZ LYS 46 8.522 -7.186 -6.276 189 HZ3 LYS 46 2HZ LYS 46 7.343 -6.547 -5.360 190 H ASP 47 H ASP 47 4.828 -6.149 -5.043 191 HA ASP 47 HA ASP 47 4.822 -5.185 -7.736 192 HB2 ASP 47 2HB ASP 47 4.419 -7.745 -6.380 193 HB3 ASP 47 3HB ASP 47 3.145 -7.530 -7.522 194 H LEU 48 H LEU 48 1.903 -5.799 -5.709 195 HA LEU 48 HA LEU 48 0.256 -4.723 -7.746 196 HG LEU 48 HG LEU 48 -1.948 -3.895 -7.237 197 HB2 LEU 48 2HB LEU 48 -0.774 -5.889 -5.982 198 HB3 LEU 48 3HB LEU 48 -0.302 -4.681 -4.783 199 HD11 LEU 48 1HD1 LEU 48 -2.994 -4.991 -4.619 200 HD12 LEU 48 2HD1 LEU 48 -3.983 -4.090 -5.772 201 HD13 LEU 48 3HD1 LEU 48 -3.252 -5.609 -6.285 202 HD21 LEU 48 3HD2 LEU 48 -1.323 -1.977 -6.157 203 HD22 LEU 48 1HD2 LEU 48 -2.882 -2.284 -5.500 204 HD23 LEU 48 2HD2 LEU 48 -1.463 -2.720 -4.521 205 H ALA 49 H ALA 49 1.815 -2.916 -5.049 206 HA ALA 49 HA ALA 49 0.739 -0.414 -5.690 207 HB1 ALA 49 1HB ALA 49 3.338 -1.398 -4.475 208 HB2 ALA 49 2HB ALA 49 2.936 0.317 -4.519 209 HB3 ALA 49 3HB ALA 49 1.855 -0.807 -3.667 210 H ARG 50 H ARG 50 3.508 -2.063 -7.095 211 HA ARG 50 HA ARG 50 4.294 0.014 -8.960 212 HE ARG 50 HE ARG 50 8.052 -0.674 -5.463 213 HB2 ARG 50 2HB ARG 50 4.952 -2.929 -8.560 214 HB3 ARG 50 3HB ARG 50 5.551 -2.032 -9.936 215 HG2 ARG 50 2HG ARG 50 7.206 -2.150 -8.125 216 HG3 ARG 50 3HG ARG 50 6.769 -0.545 -8.600 217 HD2 ARG 50 2HD ARG 50 5.411 -0.279 -6.546 218 HD3 ARG 50 3HD ARG 50 6.166 -1.721 -5.955 219 HH11 ARG 50 2HH2 ARG 50 6.507 1.561 -7.692 220 HH12 ARG 50 1HH2 ARG 50 7.906 2.611 -7.681 221 HH21 ARG 50 1HH1 ARG 50 9.722 0.731 -5.499 222 HH22 ARG 50 2HH1 ARG 50 9.591 2.219 -6.400 223 H GLU 51 H GLU 51 1.909 -2.619 -9.116 224 HA GLU 51 HA GLU 51 1.179 -2.371 -11.891 225 HB2 GLU 51 2HB GLU 51 -0.699 -3.001 -9.594 226 HB3 GLU 51 3HB GLU 51 -1.073 -3.149 -11.215 227 HG2 GLU 51 2HG GLU 51 1.299 -4.596 -10.048 228 HG3 GLU 51 3HG GLU 51 -0.229 -5.219 -9.682 229 H ASN 52 H ASN 52 0.350 -0.690 -9.014 230 HA ASN 52 HA ASN 52 -1.876 0.812 -10.189 231 HB2 ASN 52 2HB ASN 52 -0.886 -0.207 -7.558 232 HB3 ASN 52 3HB ASN 52 -1.725 1.243 -7.463 233 HD21 ASN 52 2HD2 ASN 52 -1.941 -2.100 -8.355 234 HD22 ASN 52 1HD2 ASN 52 -3.702 -2.176 -8.321 235 H SER 53 H SER 53 1.364 1.571 -9.452 236 HA SER 53 HA SER 53 2.460 3.406 -10.356 237 HG SER 53 HG SER 53 -0.500 3.982 -11.629 238 HB2 SER 53 2HB SER 53 0.045 5.189 -9.907 239 HB3 SER 53 3HB SER 53 1.567 5.596 -10.688 240 H LEU 54 H LEU 54 1.678 2.511 -7.457 241 HA LEU 54 HA LEU 54 2.540 4.815 -5.815 242 HG LEU 54 HG LEU 54 0.027 2.693 -4.634 243 HB2 LEU 54 2HB LEU 54 1.973 1.914 -5.365 244 HB3 LEU 54 3HB LEU 54 2.935 2.697 -4.180 245 HD11 LEU 54 1HD1 LEU 54 1.390 1.790 -2.627 246 HD12 LEU 54 2HD1 LEU 54 1.596 3.476 -2.140 247 HD13 LEU 54 3HD1 LEU 54 -0.022 2.758 -2.237 248 HD21 LEU 54 3HD2 LEU 54 -0.427 4.909 -3.694 249 HD22 LEU 54 1HD2 LEU 54 1.293 5.320 -3.775 250 HD23 LEU 54 2HD2 LEU 54 0.350 5.037 -5.264 251 H GLU 55 H GLU 55 4.369 4.594 -4.531 252 HA GLU 55 HA GLU 55 6.730 3.224 -5.653 253 HB2 GLU 55 2HB GLU 55 6.545 5.568 -6.557 254 HB3 GLU 55 3HB GLU 55 6.489 6.166 -4.916 255 HG2 GLU 55 2HG GLU 55 8.646 6.511 -5.759 256 HG3 GLU 55 3HG GLU 55 8.771 5.297 -4.500 257 H THR 56 H THR 56 5.656 5.247 -3.188 258 HA THR 56 HA THR 56 6.082 5.557 -0.953 259 HB THR 56 HB THR 56 5.515 3.800 0.471 260 HG1 THR 56 1HG THR 56 6.358 2.138 -1.641 261 HG21 THR 56 1HG2 THR 56 3.553 2.747 -0.469 262 HG22 THR 56 2HG2 THR 56 3.631 4.443 -0.893 263 HG23 THR 56 3HG2 THR 56 4.051 3.200 -2.107 264 H THR 57 H THR 57 7.413 4.454 1.092 265 HA THR 57 HA THR 57 10.291 4.271 0.237 266 HB THR 57 HB THR 57 9.154 4.232 3.053 267 HG1 THR 57 1HG THR 57 10.133 6.475 1.601 268 HG21 THR 57 1HG2 THR 57 11.456 3.509 2.959 269 HG22 THR 57 2HG2 THR 57 11.909 4.929 1.984 270 HG23 THR 57 3HG2 THR 57 11.377 5.130 3.666 271 H PHE 58 H PHE 58 7.768 2.654 2.188 272 HA PHE 58 HA PHE 58 8.804 -0.018 1.777 273 HD1 PHE 58 HD2 PHE 58 9.107 3.156 4.881 274 HD2 PHE 58 HD1 PHE 58 9.063 -1.088 5.678 275 HE1 PHE 58 HE2 PHE 58 8.838 3.599 7.299 276 HE2 PHE 58 HE1 PHE 58 8.674 -0.631 8.084 277 HZ PHE 58 HZ PHE 58 8.638 1.718 8.908 278 HB2 PHE 58 2HB PHE 58 9.937 -0.286 3.666 279 HB3 PHE 58 3HB PHE 58 10.388 1.345 3.425 280 H SER 59 H SER 59 7.784 -1.578 3.365 281 HA SER 59 HA SER 59 5.323 -0.585 4.649 282 HG SER 59 HG SER 59 3.328 -2.068 4.437 283 HB2 SER 59 2HB SER 59 4.449 -1.387 2.667 284 HB3 SER 59 3HB SER 59 5.418 -2.859 2.708 285 H SER 60 H SER 60 4.645 -1.769 6.352 286 HA SER 60 HA SER 60 6.307 -3.984 7.501 287 HG SER 60 HG SER 60 6.773 -2.753 9.538 288 HB2 SER 60 2HB SER 60 4.150 -2.140 8.560 289 HB3 SER 60 3HB SER 60 4.662 -3.594 9.450 290 H VAL 61 H VAL 61 5.672 -5.912 6.716 291 HA VAL 61 HA VAL 61 2.795 -6.688 6.771 292 HB VAL 61 HB VAL 61 4.579 -7.842 4.631 293 HG11 VAL 61 1HG1 VAL 61 1.576 -7.358 4.858 294 HG12 VAL 61 2HG1 VAL 61 2.354 -8.023 3.438 295 HG13 VAL 61 3HG1 VAL 61 2.395 -8.922 4.953 296 HG21 VAL 61 3HG2 VAL 61 3.065 -5.239 4.256 297 HG22 VAL 61 1HG2 VAL 61 4.803 -5.473 4.113 298 HG23 VAL 61 2HG2 VAL 61 3.708 -6.233 2.964 299 H ASN 62 H ASN 62 2.539 -9.044 7.014 300 HA ASN 62 HA ASN 62 2.921 -11.094 7.846 301 HB2 ASN 62 2HB ASN 62 5.794 -10.586 6.974 302 HB3 ASN 62 3HB ASN 62 5.139 -12.149 7.431 303 HD21 ASN 62 1HD2 ASN 62 6.034 -10.603 4.731 304 HD22 ASN 62 2HD2 ASN 62 4.867 -11.420 3.676 305 H THR 63 H THR 63 4.160 -8.539 9.545 306 HA THR 63 HA THR 63 4.414 -10.217 12.005 307 HB THR 63 HB THR 63 6.638 -9.598 11.176 308 HG1 THR 63 1HG THR 63 5.925 -8.301 13.554 309 HG21 THR 63 1HG2 THR 63 6.314 -7.474 10.090 310 HG22 THR 63 2HG2 THR 63 5.791 -6.709 11.605 311 HG23 THR 63 3HG2 THR 63 7.466 -7.271 11.415 312 H ARG 64 H ARG 64 2.220 -8.603 10.754 313 HA ARG 64 HA ARG 64 1.397 -6.878 13.011 314 HE ARG 64 HE ARG 64 -1.932 -4.351 9.862 315 HB2 ARG 64 2HB ARG 64 2.805 -5.400 11.809 316 HB3 ARG 64 3HB ARG 64 2.230 -5.913 10.243 317 HG2 ARG 64 2HG ARG 64 0.262 -4.573 12.093 318 HG3 ARG 64 3HG ARG 64 1.534 -3.595 11.373 319 HD2 ARG 64 2HD ARG 64 0.798 -3.880 9.185 320 HD3 ARG 64 3HD ARG 64 0.024 -5.418 9.531 321 HH11 ARG 64 1HH1 ARG 64 0.440 -1.831 10.523 322 HH12 ARG 64 2HH1 ARG 64 -0.820 -0.619 10.660 323 HH21 ARG 64 1HH2 ARG 64 -3.371 -2.890 10.199 324 HH22 ARG 64 2HH2 ARG 64 -2.911 -1.179 10.433 325 H ASP 65 H ASP 65 -0.740 -6.350 13.010 326 HA ASP 65 HA ASP 65 -2.934 -6.323 12.689 327 HB2 ASP 65 2HB ASP 65 -2.099 -6.403 10.034 328 HB3 ASP 65 3HB ASP 65 -3.247 -7.710 10.127 329 H PHE 66 H PHE 66 -4.859 -7.894 11.774 330 HA PHE 66 HA PHE 66 -5.399 -9.786 13.668 331 HD1 PHE 66 HD1 PHE 66 -6.332 -12.077 10.425 332 HD2 PHE 66 HD2 PHE 66 -6.772 -7.828 9.860 333 HE1 PHE 66 HE1 PHE 66 -6.159 -12.385 7.965 334 HE2 PHE 66 HE2 PHE 66 -6.741 -8.174 7.395 335 HZ PHE 66 HZ PHE 66 -6.407 -10.438 6.441 336 HB2 PHE 66 2HB PHE 66 -7.209 -10.476 12.272 337 HB3 PHE 66 3HB PHE 66 -6.970 -8.754 12.062 338 H ASP 67 H ASP 67 -3.638 -10.401 10.704 339 HA ASP 67 HA ASP 67 -2.281 -12.719 11.657 340 HB2 ASP 67 2HB ASP 67 -4.485 -13.832 11.116 341 HB3 ASP 67 3HB ASP 67 -4.324 -13.257 9.455 342 H GLY 68 H GLY 68 -3.456 -10.870 8.822 343 HA2 GLY 68 2HA GLY 68 -0.836 -9.887 8.308 344 HA3 GLY 68 3HA GLY 68 -1.235 -11.092 7.095 345 H THR 69 H THR 69 -1.082 -8.022 7.586 346 HA THR 69 HA THR 69 -2.582 -7.230 5.153 347 HB THR 69 HB THR 69 -3.409 -5.235 6.015 348 HG1 THR 69 1HG THR 69 -3.271 -4.917 8.374 349 HG21 THR 69 1HG2 THR 69 -5.061 -5.887 7.732 350 HG22 THR 69 2HG2 THR 69 -4.931 -7.094 6.427 351 HG23 THR 69 3HG2 THR 69 -4.193 -7.395 8.011 352 H GLY 70 H GLY 70 -1.541 -5.308 4.277 353 HA2 GLY 70 2HA GLY 70 1.287 -4.996 5.232 354 HA3 GLY 70 3HA GLY 70 0.698 -4.459 3.659 355 H ALA 71 H ALA 71 2.062 -2.958 5.690 356 HA ALA 71 HA ALA 71 0.107 -0.762 5.470 357 HB1 ALA 71 1HB ALA 71 -0.004 -1.634 7.775 358 HB2 ALA 71 2HB ALA 71 1.749 -1.417 7.973 359 HB3 ALA 71 3HB ALA 71 0.674 -0.007 7.792 360 H LEU 72 H LEU 72 0.948 0.825 4.276 361 HA LEU 72 HA LEU 72 3.846 0.738 3.503 362 HG LEU 72 HG LEU 72 2.021 0.776 0.269 363 HB2 LEU 72 2HB LEU 72 1.377 1.813 2.278 364 HB3 LEU 72 3HB LEU 72 2.864 2.418 1.802 365 HD11 LEU 72 1HD1 LEU 72 4.063 0.461 -0.386 366 HD12 LEU 72 2HD1 LEU 72 4.640 1.069 1.167 367 HD13 LEU 72 3HD1 LEU 72 4.425 -0.651 0.896 368 HD21 LEU 72 3HD2 LEU 72 2.346 -1.294 2.436 369 HD22 LEU 72 1HD2 LEU 72 0.870 -0.777 1.638 370 HD23 LEU 72 2HD2 LEU 72 2.107 -1.632 0.705 371 H GLU 73 H GLU 73 5.009 2.653 3.416 372 HA GLU 73 HA GLU 73 3.992 5.095 4.945 373 HB2 GLU 73 2HB GLU 73 5.239 3.656 6.369 374 HB3 GLU 73 3HB GLU 73 6.593 3.575 5.254 375 HG2 GLU 73 2HG GLU 73 7.382 5.669 5.765 376 HG3 GLU 73 3HG GLU 73 5.811 6.321 6.180 377 H PHE 74 H PHE 74 4.830 7.178 4.314 378 HA PHE 74 HA PHE 74 7.165 7.321 2.585 379 HD1 PHE 74 HD1 PHE 74 7.560 6.713 0.475 380 HD2 PHE 74 HD2 PHE 74 5.597 10.480 0.013 381 HE1 PHE 74 HE1 PHE 74 9.199 7.328 -1.296 382 HE2 PHE 74 HE2 PHE 74 7.266 11.158 -1.673 383 HZ PHE 74 HZ PHE 74 9.060 9.573 -2.357 384 HB2 PHE 74 2HB PHE 74 4.760 7.382 1.176 385 HB3 PHE 74 3HB PHE 74 4.902 9.031 1.648 386 HA PRO 75 HA PRO 75 7.862 11.362 4.557 387 HB2 PRO 75 2HB PRO 75 8.911 12.006 1.786 388 HB3 PRO 75 3HB PRO 75 9.602 12.473 3.365 389 HG2 PRO 75 2HG PRO 75 10.626 10.367 2.050 390 HG3 PRO 75 3HG PRO 75 10.283 10.199 3.801 391 HD2 PRO 75 2HD PRO 75 8.652 9.282 1.458 392 HD3 PRO 75 3HD PRO 75 9.015 8.416 2.981 393 H SER 76 H SER 76 5.693 11.095 1.774 394 HA SER 76 HA SER 76 4.647 13.854 2.338 395 HG SER 76 HG SER 76 6.304 14.517 -0.644 396 HB2 SER 76 2HB SER 76 4.976 12.561 -0.338 397 HB3 SER 76 3HB SER 76 4.286 14.139 -0.042 398 H GLU 77 H GLU 77 2.507 13.864 2.677 399 HA GLU 77 HA GLU 77 0.851 11.615 2.451 400 HB2 GLU 77 2HB GLU 77 -1.052 13.137 2.783 401 HB3 GLU 77 3HB GLU 77 0.283 13.359 3.902 402 HG2 GLU 77 2HG GLU 77 1.047 15.326 2.543 403 HG3 GLU 77 3HG GLU 77 -0.372 15.114 1.505 404 H GLU 78 H GLU 78 1.905 13.579 -0.126 405 HA GLU 78 HA GLU 78 -0.064 13.370 -2.107 406 HB2 GLU 78 2HB GLU 78 2.936 12.784 -2.306 407 HB3 GLU 78 3HB GLU 78 1.878 13.127 -3.680 408 HG2 GLU 78 2HG GLU 78 1.501 15.410 -2.864 409 HG3 GLU 78 3HG GLU 78 2.433 15.086 -1.397 410 H ILE 79 H ILE 79 2.282 10.864 -1.098 411 HA ILE 79 HA ILE 79 1.306 8.853 -2.959 412 HB ILE 79 HB ILE 79 3.206 8.661 -0.597 413 HG12 ILE 79 2HG1 ILE 79 3.464 9.813 -3.275 414 HG13 ILE 79 3HG1 ILE 79 4.375 10.088 -1.864 415 HG21 ILE 79 1HG2 ILE 79 2.929 6.725 -2.930 416 HG22 ILE 79 2HG2 ILE 79 4.038 6.591 -1.539 417 HG23 ILE 79 3HG2 ILE 79 2.311 6.421 -1.298 418 HD11 ILE 79 3HD1 ILE 79 5.818 9.264 -3.606 419 HD12 ILE 79 1HD1 ILE 79 5.709 7.979 -2.391 420 HD13 ILE 79 2HD1 ILE 79 4.781 7.860 -3.901 421 H LEU 80 H LEU 80 0.766 9.578 0.442 422 HA LEU 80 HA LEU 80 -0.668 7.278 1.216 423 HG LEU 80 HG LEU 80 -2.864 9.870 2.492 424 HB2 LEU 80 2HB LEU 80 -0.089 8.652 2.950 425 HB3 LEU 80 3HB LEU 80 -0.445 10.110 2.127 426 HD11 LEU 80 1HD1 LEU 80 -3.714 8.321 4.129 427 HD12 LEU 80 2HD1 LEU 80 -2.940 7.402 2.835 428 HD13 LEU 80 3HD1 LEU 80 -2.095 7.643 4.392 429 HD21 LEU 80 3HD2 LEU 80 -1.486 11.198 4.013 430 HD22 LEU 80 1HD2 LEU 80 -2.809 10.386 4.880 431 HD23 LEU 80 2HD2 LEU 80 -1.154 9.746 4.990 432 H VAL 81 H VAL 81 -1.738 10.392 -0.185 433 HA VAL 81 HA VAL 81 -4.585 9.766 -0.131 434 HB VAL 81 HB VAL 81 -2.966 12.000 -1.472 435 HG11 VAL 81 1HG1 VAL 81 -5.996 11.782 -1.194 436 HG12 VAL 81 2HG1 VAL 81 -5.116 13.249 -1.683 437 HG13 VAL 81 3HG1 VAL 81 -5.065 11.819 -2.711 438 HG21 VAL 81 3HG2 VAL 81 -3.032 12.018 1.043 439 HG22 VAL 81 1HG2 VAL 81 -3.766 13.434 0.291 440 HG23 VAL 81 2HG2 VAL 81 -4.797 12.135 0.954 441 H GLU 82 H GLU 82 -2.029 9.680 -2.602 442 HA GLU 82 HA GLU 82 -3.539 8.900 -4.787 443 HB2 GLU 82 2HB GLU 82 -0.816 8.640 -3.580 444 HB3 GLU 82 3HB GLU 82 -1.219 7.371 -4.573 445 HG2 GLU 82 2HG GLU 82 -0.934 10.297 -5.172 446 HG3 GLU 82 3HG GLU 82 -0.001 8.961 -5.836 447 H ALA 83 H ALA 83 -1.847 6.623 -2.504 448 HA ALA 83 HA ALA 83 -3.142 4.249 -3.323 449 HB1 ALA 83 1HB ALA 83 -2.424 4.908 -0.460 450 HB2 ALA 83 2HB ALA 83 -2.435 3.316 -1.270 451 HB3 ALA 83 3HB ALA 83 -1.222 4.543 -1.699 452 H LEU 84 H LEU 84 -4.387 6.572 -0.944 453 HA LEU 84 HA LEU 84 -6.698 5.020 -0.080 454 HG LEU 84 HG LEU 84 -4.877 7.715 1.645 455 HB2 LEU 84 2HB LEU 84 -6.294 8.040 -0.030 456 HB3 LEU 84 3HB LEU 84 -7.608 7.213 0.685 457 HD11 LEU 84 1HD1 LEU 84 -6.878 8.708 2.592 458 HD12 LEU 84 2HD1 LEU 84 -7.488 7.094 3.035 459 HD13 LEU 84 3HD1 LEU 84 -6.008 7.737 3.792 460 HD21 LEU 84 3HD2 LEU 84 -4.961 5.722 3.183 461 HD22 LEU 84 1HD2 LEU 84 -6.199 5.041 2.042 462 HD23 LEU 84 2HD2 LEU 84 -4.556 5.363 1.484 463 H GLU 85 H GLU 85 -6.154 7.205 -2.797 464 HA GLU 85 HA GLU 85 -8.950 6.757 -3.577 465 HB2 GLU 85 2HB GLU 85 -6.712 8.404 -4.835 466 HB3 GLU 85 3HB GLU 85 -8.362 8.313 -5.476 467 HG2 GLU 85 2HG GLU 85 -9.266 9.359 -3.490 468 HG3 GLU 85 3HG GLU 85 -7.679 9.393 -2.723 469 H ARG 86 H ARG 86 -5.957 5.120 -4.133 470 HA ARG 86 HA ARG 86 -6.618 4.364 -6.956 471 HE ARG 86 HE ARG 86 -3.841 8.229 -8.102 472 HB2 ARG 86 2HB ARG 86 -4.159 5.016 -5.379 473 HB3 ARG 86 3HB ARG 86 -3.939 3.727 -6.336 474 HG2 ARG 86 2HG ARG 86 -3.249 5.738 -7.494 475 HG3 ARG 86 3HG ARG 86 -4.650 5.100 -8.387 476 HD2 ARG 86 2HD ARG 86 -6.181 6.602 -7.227 477 HD3 ARG 86 3HD ARG 86 -4.870 7.148 -6.166 478 HH11 ARG 86 1HH1 ARG 86 -7.352 8.128 -7.841 479 HH12 ARG 86 2HH1 ARG 86 -7.389 9.776 -7.234 480 HH21 ARG 86 1HH2 ARG 86 -4.090 10.380 -7.569 481 HH22 ARG 86 2HH2 ARG 86 -5.712 11.011 -7.340 482 H LEU 87 H LEU 87 -5.963 3.012 -3.757 483 HA LEU 87 HA LEU 87 -6.392 0.286 -4.774 484 HG LEU 87 HG LEU 87 -3.994 -0.271 -4.947 485 HB2 LEU 87 2HB LEU 87 -4.585 1.439 -2.615 486 HB3 LEU 87 3HB LEU 87 -5.015 -0.205 -2.711 487 HD11 LEU 87 1HD1 LEU 87 -3.408 2.528 -4.514 488 HD12 LEU 87 2HD1 LEU 87 -2.222 1.522 -5.368 489 HD13 LEU 87 3HD1 LEU 87 -3.890 1.565 -5.961 490 HD21 LEU 87 3HD2 LEU 87 -1.653 -0.306 -4.143 491 HD22 LEU 87 1HD2 LEU 87 -2.133 0.672 -2.740 492 HD23 LEU 87 2HD2 LEU 87 -2.731 -0.996 -2.927 493 H ASN 88 H ASN 88 -8.170 2.586 -3.186 494 HA ASN 88 HA ASN 88 -9.033 1.038 -0.908 495 HB2 ASN 88 2HB ASN 88 -9.168 3.396 -0.794 496 HB3 ASN 88 3HB ASN 88 -10.246 3.466 -2.193 497 HD21 ASN 88 1HD2 ASN 88 -9.966 2.330 1.200 498 HD22 ASN 88 2HD2 ASN 88 -11.699 2.274 1.462 499 H ASN 89 H ASN 89 -9.533 -0.968 -1.556 500 HA ASN 89 HA ASN 89 -10.950 -2.673 -1.782 501 HB2 ASN 89 2HB ASN 89 -12.561 -1.267 -0.656 502 HB3 ASN 89 3HB ASN 89 -13.189 -0.701 -2.195 503 HD21 ASN 89 1HD2 ASN 89 -12.694 -3.502 -0.068 504 HD22 ASN 89 2HD2 ASN 89 -14.003 -4.471 -0.746 505 H ILE 90 H ILE 90 -9.292 -2.635 -3.454 506 HA ILE 90 HA ILE 90 -10.374 -2.772 -6.250 507 HB ILE 90 HB ILE 90 -8.069 -2.318 -7.034 508 HG12 ILE 90 2HG1 ILE 90 -7.079 -1.728 -4.288 509 HG13 ILE 90 3HG1 ILE 90 -7.001 -3.360 -4.871 510 HG21 ILE 90 1HG2 ILE 90 -8.940 -0.213 -5.036 511 HG22 ILE 90 2HG2 ILE 90 -7.985 -0.002 -6.517 512 HG23 ILE 90 3HG2 ILE 90 -9.678 -0.479 -6.621 513 HD11 ILE 90 3HD1 ILE 90 -5.811 -1.077 -6.426 514 HD12 ILE 90 1HD1 ILE 90 -4.982 -2.184 -5.301 515 HD13 ILE 90 2HD1 ILE 90 -5.724 -2.827 -6.773 516 H GLU 91 H GLU 91 -9.857 -4.493 -7.531 517 HA GLU 91 HA GLU 91 -9.157 -6.933 -6.096 518 HB2 GLU 91 2HB GLU 91 -11.001 -7.001 -7.519 519 HB3 GLU 91 3HB GLU 91 -10.070 -6.336 -8.833 520 HG2 GLU 91 2HG GLU 91 -8.944 -8.855 -7.790 521 HG3 GLU 91 3HG GLU 91 -10.599 -8.992 -8.287 522 H PHE 92 H PHE 92 -7.352 -7.564 -5.816 523 HA PHE 92 HA PHE 92 -4.899 -6.632 -7.134 524 HD1 PHE 92 HD2 PHE 92 -2.680 -8.116 -6.734 525 HD2 PHE 92 HD1 PHE 92 -3.937 -7.466 -2.654 526 HE1 PHE 92 HE2 PHE 92 -0.388 -8.556 -5.951 527 HE2 PHE 92 HE1 PHE 92 -1.615 -7.867 -1.894 528 HZ PHE 92 HZ PHE 92 0.161 -8.367 -3.550 529 HB2 PHE 92 2HB PHE 92 -5.279 -6.537 -4.709 530 HB3 PHE 92 3HB PHE 92 -5.558 -8.148 -4.583 531 H ARG 93 H ARG 93 -5.029 -7.846 -9.081 532 HA ARG 93 HA ARG 93 -4.786 -9.581 -10.518 533 HE ARG 93 HE ARG 93 -0.121 -7.783 -11.073 534 HB2 ARG 93 2HB ARG 93 -2.754 -10.397 -8.412 535 HB3 ARG 93 3HB ARG 93 -2.812 -11.048 -10.046 536 HG2 ARG 93 2HG ARG 93 -2.401 -8.823 -11.012 537 HG3 ARG 93 3HG ARG 93 -2.297 -8.125 -9.376 538 HD2 ARG 93 2HD ARG 93 -0.445 -9.613 -8.809 539 HD3 ARG 93 3HD ARG 93 -0.567 -10.425 -10.381 540 HH11 ARG 93 1HH1 ARG 93 1.636 -10.102 -9.059 541 HH12 ARG 93 2HH1 ARG 93 3.169 -9.294 -9.399 542 HH21 ARG 93 1HH2 ARG 93 2.018 -6.953 -11.504 543 HH22 ARG 93 2HH2 ARG 93 3.350 -7.711 -10.613 544 H GLY 94 H GLY 94 -6.920 -10.113 -8.543 545 HA2 GLY 94 2HA GLY 94 -8.364 -12.107 -8.836 546 HA3 GLY 94 3HA GLY 94 -6.965 -13.121 -8.489 547 H SER 95 H SER 95 -6.604 -10.629 -6.208 548 HA SER 95 HA SER 95 -8.524 -11.835 -4.260 549 HG SER 95 HG SER 95 -5.241 -12.691 -3.092 550 HB2 SER 95 2HB SER 95 -5.811 -10.542 -3.694 551 HB3 SER 95 3HB SER 95 -6.957 -11.206 -2.527 552 H VAL 96 H VAL 96 -8.311 -9.619 -2.479 553 HA VAL 96 HA VAL 96 -8.375 -7.207 -4.113 554 HB VAL 96 HB VAL 96 -10.448 -6.857 -4.420 555 HG11 VAL 96 1HG1 VAL 96 -12.312 -8.215 -3.725 556 HG12 VAL 96 2HG1 VAL 96 -10.990 -9.103 -4.465 557 HG13 VAL 96 3HG1 VAL 96 -11.214 -9.168 -2.687 558 HG21 VAL 96 3HG2 VAL 96 -12.022 -6.116 -2.798 559 HG22 VAL 96 1HG2 VAL 96 -11.005 -6.705 -1.467 560 HG23 VAL 96 2HG2 VAL 96 -10.463 -5.372 -2.527 561 H ILE 97 H ILE 97 -8.037 -5.311 -2.837 562 HA ILE 97 HA ILE 97 -7.587 -5.640 0.073 563 HB ILE 97 HB ILE 97 -5.736 -3.894 -0.200 564 HG12 ILE 97 2HG1 ILE 97 -5.549 -5.124 -2.947 565 HG13 ILE 97 3HG1 ILE 97 -6.150 -3.492 -2.619 566 HG21 ILE 97 1HG2 ILE 97 -5.361 -6.142 0.668 567 HG22 ILE 97 2HG2 ILE 97 -5.158 -6.767 -0.984 568 HG23 ILE 97 3HG2 ILE 97 -3.997 -5.577 -0.284 569 HD11 ILE 97 3HD1 ILE 97 -3.318 -4.490 -2.194 570 HD12 ILE 97 1HD1 ILE 97 -3.897 -3.241 -3.310 571 HD13 ILE 97 2HD1 ILE 97 -3.935 -2.931 -1.570 572 H THR 98 H THR 98 -7.924 -3.885 1.264 573 HA THR 98 HA THR 98 -9.218 -1.480 0.083 574 HB THR 98 HB THR 98 -9.863 -2.845 2.689 575 HG1 THR 98 1HG THR 98 -10.686 -4.041 0.990 576 HG21 THR 98 1HG2 THR 98 -11.228 -0.542 1.260 577 HG22 THR 98 2HG2 THR 98 -11.820 -1.351 2.726 578 HG23 THR 98 3HG2 THR 98 -10.302 -0.432 2.774 579 H VAL 99 H VAL 99 -8.346 0.369 0.753 580 HA VAL 99 HA VAL 99 -6.205 0.201 2.794 581 HB VAL 99 HB VAL 99 -4.734 1.517 1.518 582 HG11 VAL 99 1HG1 VAL 99 -4.888 -0.907 0.893 583 HG12 VAL 99 2HG1 VAL 99 -5.972 -0.475 -0.418 584 HG13 VAL 99 3HG1 VAL 99 -4.307 0.135 -0.408 585 HG21 VAL 99 3HG2 VAL 99 -7.052 1.784 -0.378 586 HG22 VAL 99 1HG2 VAL 99 -6.234 3.078 0.511 587 HG23 VAL 99 2HG2 VAL 99 -5.368 2.238 -0.766 588 H GLU 100 H GLU 100 -5.734 1.870 3.982 589 HA GLU 100 HA GLU 100 -7.036 4.517 3.858 590 HB2 GLU 100 2HB GLU 100 -8.382 4.316 5.857 591 HB3 GLU 100 3HB GLU 100 -9.003 3.232 4.655 592 HG2 GLU 100 2HG GLU 100 -7.116 2.211 6.815 593 HG3 GLU 100 3HG GLU 100 -8.813 2.497 7.153 594 H ARG 101 H ARG 101 -6.635 5.747 5.900 595 HA ARG 101 HA ARG 101 -3.835 5.643 6.567 596 HE ARG 101 HE ARG 101 -9.169 8.960 7.596 597 HB2 ARG 101 2HB ARG 101 -4.372 7.576 7.917 598 HB3 ARG 101 3HB ARG 101 -5.088 7.682 6.327 599 HG2 ARG 101 2HG ARG 101 -7.247 6.656 7.608 600 HG3 ARG 101 3HG ARG 101 -6.433 7.356 9.002 601 HD2 ARG 101 2HD ARG 101 -6.287 9.538 7.668 602 HD3 ARG 101 3HD ARG 101 -7.208 8.759 6.400 603 HH11 ARG 101 2HH2 ARG 101 -6.566 9.725 9.841 604 HH12 ARG 101 1HH2 ARG 101 -7.662 10.495 10.953 605 HH21 ARG 101 2HH1 ARG 101 -10.495 9.906 9.098 606 HH22 ARG 101 1HH1 ARG 101 -9.816 10.563 10.557 607 H ASP 102 H ASP 102 -2.782 5.006 8.289 608 HA ASP 102 HA ASP 102 -4.115 3.160 10.231 609 HB2 ASP 102 2HB ASP 102 -2.619 2.290 8.378 610 HB3 ASP 102 3HB ASP 102 -1.285 3.097 9.133 611 H ASP 103 H ASP 103 -1.895 5.909 10.087 612 HA ASP 103 HA ASP 103 -1.652 5.851 13.062 613 HB2 ASP 103 2HB ASP 103 0.635 6.278 13.014 614 HB3 ASP 103 3HB ASP 103 0.417 4.991 11.837 615 H ASN 104 H ASN 104 -2.826 7.639 10.539 616 HA ASN 104 HA ASN 104 -2.540 10.230 11.951 617 HB2 ASN 104 2HB ASN 104 -0.861 10.022 10.084 618 HB3 ASN 104 3HB ASN 104 -2.204 9.856 8.950 619 HD21 ASN 104 1HD2 ASN 104 -3.624 12.055 10.832 620 HD22 ASN 104 2HD2 ASN 104 -2.889 13.524 10.173 Start of MODEL 18 1 HA PRO 25 HA PRO 25 10.518 14.020 8.371 2 HB2 PRO 25 2HB PRO 25 10.388 13.511 5.369 3 HB3 PRO 25 3HB PRO 25 11.754 14.170 6.340 4 HG2 PRO 25 2HG PRO 25 11.606 11.515 5.825 5 HG3 PRO 25 3HG PRO 25 12.060 12.083 7.461 6 HD2 PRO 25 2HD PRO 25 9.474 10.887 6.547 7 HD3 PRO 25 3HD PRO 25 10.238 10.834 8.147 8 H ALA 26 H ALA 26 9.507 15.250 5.312 9 HA ALA 26 HA ALA 26 8.279 17.617 6.203 10 HB1 ALA 26 1HB ALA 26 7.492 17.744 3.855 11 HB2 ALA 26 2HB ALA 26 9.185 17.204 3.943 12 HB3 ALA 26 3HB ALA 26 7.889 16.027 3.627 13 H LYS 27 H LYS 27 6.843 14.500 5.393 14 HA LYS 27 HA LYS 27 4.503 15.029 7.171 15 HB2 LYS 27 2HB LYS 27 4.365 14.549 4.353 16 HB3 LYS 27 3HB LYS 27 3.937 13.048 5.083 17 HG2 LYS 27 2HG LYS 27 2.613 15.714 5.755 18 HG3 LYS 27 3HG LYS 27 2.014 14.512 4.609 19 HD2 LYS 27 2HD LYS 27 2.120 12.835 6.591 20 HD3 LYS 27 3HD LYS 27 2.220 14.270 7.629 21 HE2 LYS 27 2HE LYS 27 0.007 13.486 5.723 22 HE3 LYS 27 3HE LYS 27 -0.038 13.380 7.468 23 HZ1 LYS 27 3HZ LYS 27 0.087 15.814 7.580 24 HZ2 LYS 27 1HZ LYS 27 0.174 15.930 5.940 25 HZ3 LYS 27 2HZ LYS 27 -1.174 15.382 6.640 26 H ARG 28 H ARG 28 3.865 13.267 8.337 27 HA ARG 28 HA ARG 28 5.104 10.636 7.813 28 HE ARG 28 HE ARG 28 5.932 9.205 12.405 29 HB2 ARG 28 2HB ARG 28 4.641 12.351 10.289 30 HB3 ARG 28 3HB ARG 28 4.178 10.698 10.507 31 HG2 ARG 28 2HG ARG 28 6.914 11.379 9.384 32 HG3 ARG 28 3HG ARG 28 6.551 11.568 11.082 33 HD2 ARG 28 2HD ARG 28 6.372 9.009 9.443 34 HD3 ARG 28 3HD ARG 28 7.611 9.368 10.633 35 HH11 ARG 28 1HH1 ARG 28 4.931 7.537 9.444 36 HH12 ARG 28 2HH1 ARG 28 3.362 7.161 10.188 37 HH21 ARG 28 1HH2 ARG 28 3.965 8.405 13.205 38 HH22 ARG 28 2HH2 ARG 28 2.926 7.519 12.092 39 H TYR 29 H TYR 29 3.775 9.218 7.208 40 HA TYR 29 HA TYR 29 1.177 8.930 8.462 41 HD1 TYR 29 HD1 TYR 29 0.106 6.968 5.263 42 HD2 TYR 29 HD2 TYR 29 2.494 10.511 4.449 43 HE1 TYR 29 HE1 TYR 29 0.977 5.906 3.196 44 HE2 TYR 29 HE2 TYR 29 3.194 9.527 2.389 45 HH TYR 29 HH TYR 29 2.958 7.642 0.879 46 HB2 TYR 29 2HB TYR 29 -0.172 8.931 6.523 47 HB3 TYR 29 3HB TYR 29 0.778 10.398 6.351 48 H ARG 30 H ARG 30 0.353 6.835 8.115 49 HA ARG 30 HA ARG 30 1.860 4.873 6.447 50 HE ARG 30 HE ARG 30 4.539 3.498 8.129 51 HB2 ARG 30 2HB ARG 30 2.531 4.683 8.858 52 HB3 ARG 30 3HB ARG 30 0.842 4.576 9.262 53 HG2 ARG 30 2HG ARG 30 1.602 2.376 9.437 54 HG3 ARG 30 3HG ARG 30 0.706 2.417 7.927 55 HD2 ARG 30 2HD ARG 30 2.765 1.171 7.632 56 HD3 ARG 30 3HD ARG 30 2.844 2.643 6.687 57 HH11 ARG 30 1HH1 ARG 30 3.500 0.401 9.403 58 HH12 ARG 30 2HH1 ARG 30 4.840 0.340 10.510 59 HH21 ARG 30 1HH2 ARG 30 6.036 3.436 9.524 60 HH22 ARG 30 2HH2 ARG 30 6.223 2.117 10.688 61 H ILE 31 H ILE 31 0.453 3.938 5.093 62 HA ILE 31 HA ILE 31 -2.487 3.943 5.692 63 HB ILE 31 HB ILE 31 -2.825 3.185 3.374 64 HG12 ILE 31 2HG1 ILE 31 0.130 3.663 2.902 65 HG13 ILE 31 3HG1 ILE 31 -0.631 2.077 3.108 66 HG21 ILE 31 1HG2 ILE 31 -2.392 5.286 2.240 67 HG22 ILE 31 2HG2 ILE 31 -2.979 5.528 3.887 68 HG23 ILE 31 3HG2 ILE 31 -1.259 5.768 3.509 69 HD11 ILE 31 3HD1 ILE 31 -0.394 2.430 0.755 70 HD12 ILE 31 1HD1 ILE 31 -2.116 2.644 1.120 71 HD13 ILE 31 2HD1 ILE 31 -1.056 4.061 0.868 72 H THR 32 H THR 32 -3.536 1.973 5.118 73 HA THR 32 HA THR 32 -2.019 -0.582 5.456 74 HB THR 32 HB THR 32 -4.744 0.308 6.482 75 HG1 THR 32 1HG THR 32 -3.754 -0.031 8.448 76 HG21 THR 32 1HG2 THR 32 -4.873 -1.967 7.561 77 HG22 THR 32 2HG2 THR 32 -5.042 -1.981 5.806 78 HG23 THR 32 3HG2 THR 32 -3.500 -2.479 6.554 79 H MET 33 H MET 33 -2.513 -2.154 4.129 80 HA MET 33 HA MET 33 -4.801 -1.863 2.289 81 HB2 MET 33 2HB MET 33 -2.085 -2.999 1.478 82 HB3 MET 33 3HB MET 33 -3.456 -2.627 0.441 83 HG2 MET 33 2HG MET 33 -3.104 -0.177 1.350 84 HG3 MET 33 3HG MET 33 -1.533 -0.788 1.809 85 HE1 MET 33 3HE MET 33 -0.335 -1.873 -1.855 86 HE2 MET 33 1HE MET 33 -0.173 -2.229 -0.107 87 HE3 MET 33 2HE MET 33 -1.622 -2.756 -0.992 88 H LYS 34 H LYS 34 -6.190 -3.446 2.461 89 HA LYS 34 HA LYS 34 -5.341 -6.268 2.602 90 HB2 LYS 34 2HB LYS 34 -7.313 -6.300 4.614 91 HB3 LYS 34 3HB LYS 34 -5.778 -6.635 4.717 92 HG2 LYS 34 2HG LYS 34 -6.489 -5.103 6.485 93 HG3 LYS 34 3HG LYS 34 -5.634 -3.997 5.391 94 HD2 LYS 34 2HD LYS 34 -7.845 -3.495 4.273 95 HD3 LYS 34 3HD LYS 34 -8.637 -4.644 5.335 96 HE2 LYS 34 2HE LYS 34 -8.064 -3.330 7.324 97 HE3 LYS 34 3HE LYS 34 -7.170 -2.167 6.330 98 HZ1 LYS 34 3HZ LYS 34 -9.168 -1.469 5.286 99 HZ2 LYS 34 1HZ LYS 34 -10.067 -2.689 5.947 100 HZ3 LYS 34 2HZ LYS 34 -9.486 -1.480 6.878 101 H ASN 35 H ASN 35 -6.980 -7.711 2.690 102 HA ASN 35 HA ASN 35 -9.481 -6.992 3.218 103 HB2 ASN 35 2HB ASN 35 -9.944 -5.938 1.300 104 HB3 ASN 35 3HB ASN 35 -8.973 -6.932 0.288 105 HD21 ASN 35 1HD2 ASN 35 -9.957 -8.287 -1.072 106 HD22 ASN 35 2HD2 ASN 35 -11.662 -8.741 -0.983 107 H LEU 36 H LEU 36 -11.161 -8.980 2.615 108 HA LEU 36 HA LEU 36 -10.487 -10.943 4.318 109 HG LEU 36 HG LEU 36 -12.188 -12.801 4.499 110 HB2 LEU 36 2HB LEU 36 -12.684 -10.392 3.540 111 HB3 LEU 36 3HB LEU 36 -12.409 -11.125 1.970 112 HD11 LEU 36 1HD1 LEU 36 -14.335 -11.609 4.650 113 HD12 LEU 36 2HD1 LEU 36 -14.748 -12.108 2.994 114 HD13 LEU 36 3HD1 LEU 36 -14.595 -13.320 4.292 115 HD21 LEU 36 3HD2 LEU 36 -13.059 -14.588 2.990 116 HD22 LEU 36 1HD2 LEU 36 -13.097 -13.434 1.643 117 HD23 LEU 36 2HD2 LEU 36 -11.555 -13.928 2.368 118 HA PRO 37 HA PRO 37 -9.037 -14.160 0.978 119 HB2 PRO 37 2HB PRO 37 -7.481 -12.305 -0.813 120 HB3 PRO 37 3HB PRO 37 -8.310 -13.838 -1.219 121 HG2 PRO 37 2HG PRO 37 -9.454 -11.463 -1.840 122 HG3 PRO 37 3HG PRO 37 -10.454 -12.779 -1.135 123 HD2 PRO 37 2HD PRO 37 -9.219 -10.402 0.257 124 HD3 PRO 37 3HD PRO 37 -10.885 -11.040 0.389 125 H GLU 38 H GLU 38 -6.856 -11.315 1.513 126 HA GLU 38 HA GLU 38 -4.854 -12.964 2.905 127 HB2 GLU 38 2HB GLU 38 -3.156 -12.540 1.274 128 HB3 GLU 38 3HB GLU 38 -4.530 -13.358 0.528 129 HG2 GLU 38 2HG GLU 38 -5.254 -11.310 -0.573 130 HG3 GLU 38 3HG GLU 38 -4.010 -10.375 0.253 131 H GLY 39 H GLY 39 -3.178 -11.885 3.887 132 HA2 GLY 39 2HA GLY 39 -3.349 -8.929 4.192 133 HA3 GLY 39 3HA GLY 39 -2.451 -10.074 5.203 134 H CYS 40 H CYS 40 -2.120 -10.666 1.852 135 HA CYS 40 HA CYS 40 -0.372 -10.730 0.455 136 HG CYS 40 HG CYS 40 -2.184 -9.361 -0.714 137 HB2 CYS 40 2HB CYS 40 -0.023 -7.823 1.245 138 HB3 CYS 40 3HB CYS 40 0.307 -8.593 -0.313 139 H SER 41 H SER 41 2.043 -9.235 0.331 140 HA SER 41 HA SER 41 3.631 -9.558 2.743 141 HG SER 41 HG SER 41 3.103 -11.828 2.461 142 HB2 SER 41 2HB SER 41 4.445 -11.068 0.213 143 HB3 SER 41 3HB SER 41 5.425 -10.856 1.685 144 H TRP 42 H TRP 42 5.772 -8.298 2.448 145 HA TRP 42 HA TRP 42 5.137 -5.958 1.049 146 HD1 TRP 42 HD1 TRP 42 9.687 -4.919 1.956 147 HE1 TRP 42 HE1 TRP 42 9.954 -2.675 0.741 148 HE3 TRP 42 HE3 TRP 42 4.779 -4.048 0.626 149 HZ2 TRP 42 HZ2 TRP 42 8.317 -0.901 -0.845 150 HZ3 TRP 42 HZ3 TRP 42 4.211 -2.177 -0.838 151 HH2 TRP 42 HH2 TRP 42 5.932 -0.633 -1.623 152 HB2 TRP 42 2HB TRP 42 6.696 -5.931 2.911 153 HB3 TRP 42 3HB TRP 42 7.884 -6.796 1.961 154 H GLN 43 H GLN 43 7.322 -8.577 -0.006 155 HA GLN 43 HA GLN 43 8.204 -7.352 -2.338 156 HB2 GLN 43 2HB GLN 43 8.459 -9.738 -3.238 157 HB3 GLN 43 3HB GLN 43 9.250 -9.422 -1.698 158 HG2 GLN 43 2HG GLN 43 7.740 -10.741 -0.466 159 HG3 GLN 43 3HG GLN 43 6.450 -10.577 -1.639 160 HE21 GLN 43 2HE2 GLN 43 6.035 -12.342 -2.932 161 HE22 GLN 43 1HE2 GLN 43 7.240 -13.587 -3.271 162 H ASP 44 H ASP 44 5.195 -8.859 -1.821 163 HA ASP 44 HA ASP 44 4.315 -9.121 -4.595 164 HB2 ASP 44 2HB ASP 44 3.412 -9.666 -1.774 165 HB3 ASP 44 3HB ASP 44 2.186 -9.321 -2.886 166 H LEU 45 H LEU 45 3.710 -7.056 -1.784 167 HA LEU 45 HA LEU 45 1.790 -5.410 -3.071 168 HG LEU 45 HG LEU 45 1.422 -6.705 -0.471 169 HB2 LEU 45 2HB LEU 45 3.440 -5.376 -0.533 170 HB3 LEU 45 3HB LEU 45 2.556 -3.940 -0.968 171 HD11 LEU 45 1HD1 LEU 45 0.374 -5.479 1.404 172 HD12 LEU 45 2HD1 LEU 45 2.143 -5.293 1.438 173 HD13 LEU 45 3HD1 LEU 45 1.155 -3.961 0.832 174 HD21 LEU 45 3HD2 LEU 45 -0.843 -5.318 -0.593 175 HD22 LEU 45 1HD2 LEU 45 0.115 -4.242 -1.646 176 HD23 LEU 45 2HD2 LEU 45 -0.119 -5.930 -2.085 177 H LYS 46 H LYS 46 5.270 -5.065 -2.614 178 HA LYS 46 HA LYS 46 5.726 -2.427 -3.883 179 HB2 LYS 46 2HB LYS 46 7.474 -3.628 -2.614 180 HB3 LYS 46 3HB LYS 46 7.303 -5.006 -3.682 181 HG2 LYS 46 2HG LYS 46 7.905 -3.179 -5.603 182 HG3 LYS 46 3HG LYS 46 8.544 -2.300 -4.210 183 HD2 LYS 46 2HD LYS 46 10.366 -3.618 -5.046 184 HD3 LYS 46 3HD LYS 46 9.729 -4.393 -3.588 185 HE2 LYS 46 2HE LYS 46 10.194 -6.148 -5.188 186 HE3 LYS 46 3HE LYS 46 8.451 -6.013 -4.994 187 HZ1 LYS 46 3HZ LYS 46 8.549 -4.565 -7.071 188 HZ2 LYS 46 1HZ LYS 46 10.079 -5.100 -7.292 189 HZ3 LYS 46 2HZ LYS 46 8.809 -6.147 -7.299 190 H ASP 47 H ASP 47 5.741 -5.775 -5.155 191 HA ASP 47 HA ASP 47 5.989 -4.937 -7.800 192 HB2 ASP 47 2HB ASP 47 5.435 -7.422 -6.418 193 HB3 ASP 47 3HB ASP 47 4.245 -7.280 -7.653 194 H LEU 48 H LEU 48 2.845 -5.669 -6.214 195 HA LEU 48 HA LEU 48 1.357 -4.658 -8.377 196 HG LEU 48 HG LEU 48 -0.972 -4.072 -8.057 197 HB2 LEU 48 2HB LEU 48 0.251 -5.943 -6.702 198 HB3 LEU 48 3HB LEU 48 0.516 -4.714 -5.468 199 HD11 LEU 48 1HD1 LEU 48 -2.349 -4.942 -5.493 200 HD12 LEU 48 2HD1 LEU 48 -3.095 -4.324 -6.965 201 HD13 LEU 48 3HD1 LEU 48 -2.291 -5.859 -7.068 202 HD21 LEU 48 3HD2 LEU 48 -0.529 -2.112 -6.837 203 HD22 LEU 48 1HD2 LEU 48 -2.177 -2.483 -6.467 204 HD23 LEU 48 2HD2 LEU 48 -0.928 -2.918 -5.278 205 H ALA 49 H ALA 49 2.628 -2.781 -5.555 206 HA ALA 49 HA ALA 49 1.485 -0.335 -6.317 207 HB1 ALA 49 1HB ALA 49 3.729 0.488 -5.144 208 HB2 ALA 49 2HB ALA 49 2.432 -0.369 -4.246 209 HB3 ALA 49 3HB ALA 49 3.910 -1.210 -4.771 210 H ARG 50 H ARG 50 4.447 -1.864 -7.605 211 HA ARG 50 HA ARG 50 5.136 0.365 -9.331 212 HE ARG 50 HE ARG 50 9.230 -0.308 -7.313 213 HB2 ARG 50 2HB ARG 50 5.989 -2.406 -10.033 214 HB3 ARG 50 3HB ARG 50 6.827 -0.869 -10.232 215 HG2 ARG 50 2HG ARG 50 6.520 -2.600 -7.823 216 HG3 ARG 50 3HG ARG 50 7.954 -2.079 -8.480 217 HD2 ARG 50 2HD ARG 50 6.243 0.013 -7.208 218 HD3 ARG 50 3HD ARG 50 7.201 -1.080 -6.248 219 HH11 ARG 50 2HH2 ARG 50 6.569 2.030 -7.848 220 HH12 ARG 50 1HH2 ARG 50 7.752 3.158 -8.496 221 HH21 ARG 50 2HH1 ARG 50 10.502 1.351 -8.096 222 HH22 ARG 50 1HH1 ARG 50 9.711 2.864 -8.532 223 H GLU 51 H GLU 51 3.037 -2.430 -9.664 224 HA GLU 51 HA GLU 51 2.227 -2.110 -12.424 225 HB2 GLU 51 2HB GLU 51 0.496 -3.183 -10.165 226 HB3 GLU 51 3HB GLU 51 0.152 -3.273 -11.794 227 HG2 GLU 51 2HG GLU 51 2.684 -4.376 -10.532 228 HG3 GLU 51 3HG GLU 51 1.300 -5.334 -10.520 229 H ASN 52 H ASN 52 1.290 -0.577 -9.505 230 HA ASN 52 HA ASN 52 -1.073 0.766 -10.689 231 HB2 ASN 52 2HB ASN 52 -0.142 -0.309 -8.044 232 HB3 ASN 52 3HB ASN 52 -1.172 1.008 -7.992 233 HD21 ASN 52 2HD2 ASN 52 -0.902 -2.216 -9.341 234 HD22 ASN 52 1HD2 ASN 52 -2.628 -2.544 -9.241 235 H SER 53 H SER 53 2.082 1.613 -10.024 236 HA SER 53 HA SER 53 3.202 3.468 -10.402 237 HG SER 53 HG SER 53 -0.119 4.423 -10.434 238 HB2 SER 53 2HB SER 53 2.317 5.591 -11.093 239 HB3 SER 53 3HB SER 53 1.753 4.243 -12.087 240 H LEU 54 H LEU 54 2.247 2.508 -7.816 241 HA LEU 54 HA LEU 54 2.728 4.889 -6.075 242 HG LEU 54 HG LEU 54 0.266 2.801 -5.165 243 HB2 LEU 54 2HB LEU 54 2.358 1.968 -5.585 244 HB3 LEU 54 3HB LEU 54 3.154 2.875 -4.364 245 HD11 LEU 54 1HD1 LEU 54 1.597 3.020 -2.407 246 HD12 LEU 54 2HD1 LEU 54 -0.070 2.557 -2.771 247 HD13 LEU 54 3HD1 LEU 54 1.256 1.491 -3.210 248 HD21 LEU 54 3HD2 LEU 54 0.720 5.184 -5.359 249 HD22 LEU 54 1HD2 LEU 54 -0.217 4.857 -3.923 250 HD23 LEU 54 2HD2 LEU 54 1.519 5.187 -3.759 251 H GLU 55 H GLU 55 4.515 5.048 -4.996 252 HA GLU 55 HA GLU 55 6.985 3.611 -5.580 253 HB2 GLU 55 2HB GLU 55 6.695 5.123 -7.519 254 HB3 GLU 55 3HB GLU 55 6.738 6.528 -6.446 255 HG2 GLU 55 2HG GLU 55 8.969 6.244 -5.917 256 HG3 GLU 55 3HG GLU 55 8.949 4.504 -6.145 257 H THR 56 H THR 56 5.864 3.497 -3.394 258 HA THR 56 HA THR 56 6.246 5.533 -1.410 259 HB THR 56 HB THR 56 5.653 3.653 0.120 260 HG1 THR 56 1HG THR 56 5.333 1.637 -0.797 261 HG21 THR 56 1HG2 THR 56 3.854 4.109 -2.258 262 HG22 THR 56 2HG2 THR 56 3.407 3.045 -0.920 263 HG23 THR 56 3HG2 THR 56 3.745 4.737 -0.595 264 H THR 57 H THR 57 7.517 4.898 0.699 265 HA THR 57 HA THR 57 10.320 4.342 0.002 266 HB THR 57 HB THR 57 9.176 4.534 2.812 267 HG1 THR 57 1HG THR 57 9.981 6.692 1.148 268 HG21 THR 57 1HG2 THR 57 11.376 5.578 3.291 269 HG22 THR 57 2HG2 THR 57 11.532 3.923 2.682 270 HG23 THR 57 3HG2 THR 57 11.870 5.296 1.601 271 H PHE 58 H PHE 58 7.696 2.835 1.920 272 HA PHE 58 HA PHE 58 8.814 0.162 1.752 273 HD1 PHE 58 HD1 PHE 58 8.232 3.016 5.070 274 HD2 PHE 58 HD2 PHE 58 9.413 -1.121 5.369 275 HE1 PHE 58 HE1 PHE 58 7.395 2.932 7.409 276 HE2 PHE 58 HE2 PHE 58 8.571 -1.200 7.704 277 HZ PHE 58 HZ PHE 58 7.566 0.830 8.725 278 HB2 PHE 58 2HB PHE 58 10.061 0.168 3.523 279 HB3 PHE 58 3HB PHE 58 10.052 1.889 3.584 280 H SER 59 H SER 59 7.742 -1.344 3.322 281 HA SER 59 HA SER 59 5.225 -0.380 4.465 282 HG SER 59 HG SER 59 3.325 -1.811 4.387 283 HB2 SER 59 2HB SER 59 4.445 -1.292 2.412 284 HB3 SER 59 3HB SER 59 5.346 -2.760 2.644 285 H SER 60 H SER 60 4.579 -1.474 6.205 286 HA SER 60 HA SER 60 6.188 -3.672 7.452 287 HG SER 60 HG SER 60 6.231 -1.111 8.411 288 HB2 SER 60 2HB SER 60 4.002 -1.805 8.431 289 HB3 SER 60 3HB SER 60 4.563 -3.216 9.361 290 H VAL 61 H VAL 61 5.567 -5.580 6.596 291 HA VAL 61 HA VAL 61 2.672 -6.319 6.469 292 HB VAL 61 HB VAL 61 4.626 -7.487 4.497 293 HG11 VAL 61 1HG1 VAL 61 2.472 -7.592 3.136 294 HG12 VAL 61 2HG1 VAL 61 2.420 -8.565 4.598 295 HG13 VAL 61 3HG1 VAL 61 1.609 -6.991 4.530 296 HG21 VAL 61 3HG2 VAL 61 4.852 -5.095 4.046 297 HG22 VAL 61 1HG2 VAL 61 3.831 -5.814 2.808 298 HG23 VAL 61 2HG2 VAL 61 3.095 -4.907 4.130 299 H ASN 62 H ASN 62 2.361 -8.666 6.567 300 HA ASN 62 HA ASN 62 2.555 -10.743 7.377 301 HB2 ASN 62 2HB ASN 62 5.555 -10.278 7.234 302 HB3 ASN 62 3HB ASN 62 4.740 -11.838 7.287 303 HD21 ASN 62 2HD2 ASN 62 6.435 -10.123 5.169 304 HD22 ASN 62 1HD2 ASN 62 5.457 -10.346 3.742 305 H THR 63 H THR 63 3.973 -8.304 9.403 306 HA THR 63 HA THR 63 3.585 -10.043 11.815 307 HB THR 63 HB THR 63 5.643 -9.178 12.753 308 HG1 THR 63 1HG THR 63 5.917 -7.212 11.885 309 HG21 THR 63 1HG2 THR 63 7.281 -10.270 11.406 310 HG22 THR 63 2HG2 THR 63 5.776 -11.193 11.250 311 HG23 THR 63 3HG2 THR 63 6.300 -10.108 9.938 312 H ARG 64 H ARG 64 1.874 -7.872 10.663 313 HA ARG 64 HA ARG 64 1.835 -5.941 12.967 314 HE ARG 64 HE ARG 64 -2.077 -4.024 10.504 315 HB2 ARG 64 2HB ARG 64 2.940 -4.849 11.259 316 HB3 ARG 64 3HB ARG 64 1.946 -5.506 9.981 317 HG2 ARG 64 2HG ARG 64 0.725 -3.549 11.964 318 HG3 ARG 64 3HG ARG 64 1.777 -2.982 10.676 319 HD2 ARG 64 2HD ARG 64 0.285 -3.332 9.028 320 HD3 ARG 64 3HD ARG 64 -0.169 -4.895 9.635 321 HH11 ARG 64 2HH1 ARG 64 0.057 -1.239 10.321 322 HH12 ARG 64 1HH1 ARG 64 -1.290 -0.144 10.599 323 HH21 ARG 64 2HH2 ARG 64 -3.613 -2.665 10.769 324 HH22 ARG 64 1HH2 ARG 64 -3.337 -0.906 10.695 325 H ASP 65 H ASP 65 -0.175 -8.162 11.279 326 HA ASP 65 HA ASP 65 -2.576 -7.095 12.622 327 HB2 ASP 65 2HB ASP 65 -1.930 -6.020 10.175 328 HB3 ASP 65 3HB ASP 65 -2.889 -7.387 9.690 329 H PHE 66 H PHE 66 -4.539 -8.333 11.168 330 HA PHE 66 HA PHE 66 -4.923 -10.811 12.220 331 HD1 PHE 66 HD1 PHE 66 -4.575 -8.780 8.787 332 HD2 PHE 66 HD2 PHE 66 -7.917 -11.484 8.977 333 HE1 PHE 66 HE1 PHE 66 -4.538 -8.986 6.324 334 HE2 PHE 66 HE2 PHE 66 -7.973 -11.580 6.498 335 HZ PHE 66 HZ PHE 66 -6.287 -10.338 5.164 336 HB2 PHE 66 2HB PHE 66 -6.854 -10.857 10.976 337 HB3 PHE 66 3HB PHE 66 -6.484 -9.144 10.941 338 H ASP 67 H ASP 67 -2.877 -10.331 9.554 339 HA ASP 67 HA ASP 67 -2.135 -13.088 9.119 340 HB2 ASP 67 2HB ASP 67 -4.261 -12.991 7.767 341 HB3 ASP 67 3HB ASP 67 -3.598 -11.628 6.872 342 H GLY 68 H GLY 68 -2.233 -9.738 7.939 343 HA2 GLY 68 2HA GLY 68 0.466 -9.219 8.495 344 HA3 GLY 68 3HA GLY 68 0.343 -9.544 6.748 345 H THR 69 H THR 69 -1.497 -8.383 5.715 346 HA THR 69 HA THR 69 -2.400 -6.560 4.806 347 HB THR 69 HB THR 69 -3.344 -4.780 5.878 348 HG1 THR 69 1HG THR 69 -1.534 -5.401 7.948 349 HG21 THR 69 1HG2 THR 69 -4.547 -5.695 7.854 350 HG22 THR 69 2HG2 THR 69 -4.578 -6.735 6.422 351 HG23 THR 69 3HG2 THR 69 -3.517 -7.138 7.741 352 H GLY 70 H GLY 70 -1.653 -4.917 3.632 353 HA2 GLY 70 2HA GLY 70 1.183 -4.303 3.599 354 HA3 GLY 70 3HA GLY 70 -0.101 -3.686 2.537 355 H ALA 71 H ALA 71 1.466 -3.078 5.737 356 HA ALA 71 HA ALA 71 0.078 -0.502 5.632 357 HB1 ALA 71 1HB ALA 71 1.828 -1.626 7.820 358 HB2 ALA 71 2HB ALA 71 0.931 -0.086 7.880 359 HB3 ALA 71 3HB ALA 71 0.047 -1.601 7.743 360 H LEU 72 H LEU 72 0.854 0.844 4.157 361 HA LEU 72 HA LEU 72 3.742 0.858 3.310 362 HG LEU 72 HG LEU 72 1.929 0.888 0.098 363 HB2 LEU 72 2HB LEU 72 1.197 1.679 2.165 364 HB3 LEU 72 3HB LEU 72 2.544 2.551 1.673 365 HD11 LEU 72 1HD1 LEU 72 4.307 1.638 0.623 366 HD12 LEU 72 2HD1 LEU 72 4.612 -0.005 1.044 367 HD13 LEU 72 3HD1 LEU 72 3.980 0.336 -0.562 368 HD21 LEU 72 3HD2 LEU 72 2.338 -1.194 2.208 369 HD22 LEU 72 1HD2 LEU 72 0.886 -0.801 1.314 370 HD23 LEU 72 2HD2 LEU 72 2.261 -1.533 0.464 371 H GLU 73 H GLU 73 4.855 2.789 3.248 372 HA GLU 73 HA GLU 73 3.622 5.303 4.515 373 HB2 GLU 73 2HB GLU 73 4.569 4.205 6.271 374 HB3 GLU 73 3HB GLU 73 6.054 3.790 5.428 375 HG2 GLU 73 2HG GLU 73 7.010 5.865 5.746 376 HG3 GLU 73 3HG GLU 73 5.471 6.708 5.798 377 H PHE 74 H PHE 74 4.602 7.309 3.995 378 HA PHE 74 HA PHE 74 7.048 7.440 2.426 379 HD1 PHE 74 HD1 PHE 74 7.132 6.639 0.173 380 HD2 PHE 74 HD2 PHE 74 6.191 10.794 0.063 381 HE1 PHE 74 HE1 PHE 74 8.971 6.991 -1.486 382 HE2 PHE 74 HE2 PHE 74 8.013 11.188 -1.554 383 HZ PHE 74 HZ PHE 74 9.407 9.283 -2.345 384 HB2 PHE 74 2HB PHE 74 4.686 7.712 0.936 385 HB3 PHE 74 3HB PHE 74 4.970 9.344 1.431 386 HA PRO 75 HA PRO 75 7.430 11.278 4.815 387 HB2 PRO 75 2HB PRO 75 9.239 12.711 3.276 388 HB3 PRO 75 3HB PRO 75 9.658 11.348 4.351 389 HG2 PRO 75 2HG PRO 75 9.121 11.245 1.369 390 HG3 PRO 75 3HG PRO 75 10.527 10.580 2.276 391 HD2 PRO 75 2HD PRO 75 8.501 8.976 1.646 392 HD3 PRO 75 3HD PRO 75 9.191 8.886 3.280 393 H SER 76 H SER 76 5.596 11.112 2.014 394 HA SER 76 HA SER 76 4.616 13.915 2.366 395 HG SER 76 HG SER 76 6.212 14.589 -0.615 396 HB2 SER 76 2HB SER 76 5.000 12.521 -0.261 397 HB3 SER 76 3HB SER 76 4.227 14.084 -0.017 398 H GLU 77 H GLU 77 2.453 13.922 2.675 399 HA GLU 77 HA GLU 77 0.773 11.669 2.408 400 HB2 GLU 77 2HB GLU 77 -1.100 13.198 2.729 401 HB3 GLU 77 3HB GLU 77 0.222 13.459 3.850 402 HG2 GLU 77 2HG GLU 77 0.973 15.350 2.205 403 HG3 GLU 77 3HG GLU 77 -0.651 15.199 1.526 404 H GLU 78 H GLU 78 1.973 13.634 -0.108 405 HA GLU 78 HA GLU 78 0.086 13.455 -2.169 406 HB2 GLU 78 2HB GLU 78 3.089 12.888 -2.260 407 HB3 GLU 78 3HB GLU 78 2.085 13.248 -3.663 408 HG2 GLU 78 2HG GLU 78 1.663 15.514 -2.838 409 HG3 GLU 78 3HG GLU 78 2.517 15.177 -1.334 410 H ILE 79 H ILE 79 2.381 10.944 -1.083 411 HA ILE 79 HA ILE 79 1.518 8.978 -3.033 412 HB ILE 79 HB ILE 79 3.313 8.703 -0.627 413 HG12 ILE 79 2HG1 ILE 79 3.661 10.120 -3.131 414 HG13 ILE 79 3HG1 ILE 79 4.577 10.187 -1.691 415 HG21 ILE 79 1HG2 ILE 79 4.278 6.728 -1.697 416 HG22 ILE 79 2HG2 ILE 79 2.550 6.498 -1.495 417 HG23 ILE 79 3HG2 ILE 79 3.188 6.921 -3.094 418 HD11 ILE 79 3HD1 ILE 79 5.874 8.145 -2.543 419 HD12 ILE 79 1HD1 ILE 79 4.920 8.254 -4.033 420 HD13 ILE 79 2HD1 ILE 79 5.993 9.581 -3.570 421 H LEU 80 H LEU 80 0.755 9.677 0.308 422 HA LEU 80 HA LEU 80 -0.701 7.356 1.007 423 HG LEU 80 HG LEU 80 -2.980 9.982 2.093 424 HB2 LEU 80 2HB LEU 80 -0.234 8.771 2.751 425 HB3 LEU 80 3HB LEU 80 -0.567 10.204 1.906 426 HD11 LEU 80 1HD1 LEU 80 -2.486 7.738 4.060 427 HD12 LEU 80 2HD1 LEU 80 -4.042 8.437 3.567 428 HD13 LEU 80 3HD1 LEU 80 -3.109 7.489 2.404 429 HD21 LEU 80 3HD2 LEU 80 -1.547 9.748 4.750 430 HD22 LEU 80 1HD2 LEU 80 -1.733 11.239 3.799 431 HD23 LEU 80 2HD2 LEU 80 -3.161 10.429 4.474 432 H VAL 81 H VAL 81 -1.749 10.470 -0.436 433 HA VAL 81 HA VAL 81 -4.558 9.725 -0.620 434 HB VAL 81 HB VAL 81 -2.941 12.006 -1.878 435 HG11 VAL 81 1HG1 VAL 81 -5.120 13.167 -2.225 436 HG12 VAL 81 2HG1 VAL 81 -4.971 11.718 -3.218 437 HG13 VAL 81 3HG1 VAL 81 -5.970 11.682 -1.751 438 HG21 VAL 81 3HG2 VAL 81 -3.917 13.434 -0.179 439 HG22 VAL 81 1HG2 VAL 81 -4.876 12.076 0.466 440 HG23 VAL 81 2HG2 VAL 81 -3.109 12.083 0.612 441 H GLU 82 H GLU 82 -1.833 9.753 -2.838 442 HA GLU 82 HA GLU 82 -3.020 8.950 -5.194 443 HB2 GLU 82 2HB GLU 82 -0.484 8.766 -3.663 444 HB3 GLU 82 3HB GLU 82 -0.676 7.506 -4.730 445 HG2 GLU 82 2HG GLU 82 -0.757 10.470 -5.329 446 HG3 GLU 82 3HG GLU 82 0.640 9.426 -5.601 447 H ALA 83 H ALA 83 -1.565 6.656 -2.781 448 HA ALA 83 HA ALA 83 -2.760 4.231 -3.750 449 HB1 ALA 83 1HB ALA 83 -0.977 4.515 -1.909 450 HB2 ALA 83 2HB ALA 83 -2.279 4.986 -0.821 451 HB3 ALA 83 3HB ALA 83 -2.273 3.359 -1.540 452 H LEU 84 H LEU 84 -4.198 6.527 -1.415 453 HA LEU 84 HA LEU 84 -6.571 4.945 -0.834 454 HG LEU 84 HG LEU 84 -4.947 7.655 1.105 455 HB2 LEU 84 2HB LEU 84 -6.217 7.964 -0.649 456 HB3 LEU 84 3HB LEU 84 -7.558 7.083 -0.052 457 HD11 LEU 84 1HD1 LEU 84 -7.078 8.399 2.003 458 HD12 LEU 84 2HD1 LEU 84 -7.560 6.711 2.300 459 HD13 LEU 84 3HD1 LEU 84 -6.181 7.425 3.180 460 HD21 LEU 84 3HD2 LEU 84 -4.425 5.342 0.779 461 HD22 LEU 84 1HD2 LEU 84 -4.870 5.576 2.474 462 HD23 LEU 84 2HD2 LEU 84 -6.042 4.848 1.299 463 H GLU 85 H GLU 85 -5.709 7.036 -3.507 464 HA GLU 85 HA GLU 85 -8.365 6.493 -4.635 465 HB2 GLU 85 2HB GLU 85 -6.317 8.655 -5.241 466 HB3 GLU 85 3HB GLU 85 -7.758 8.394 -6.229 467 HG2 GLU 85 2HG GLU 85 -9.189 8.724 -4.185 468 HG3 GLU 85 3HG GLU 85 -7.740 9.164 -3.281 469 H ARG 86 H ARG 86 -5.388 5.060 -4.846 470 HA ARG 86 HA ARG 86 -5.599 4.429 -7.764 471 HE ARG 86 HE ARG 86 -2.473 8.309 -8.576 472 HB2 ARG 86 2HB ARG 86 -3.372 5.117 -5.934 473 HB3 ARG 86 3HB ARG 86 -3.104 3.645 -6.596 474 HG2 ARG 86 2HG ARG 86 -2.046 5.249 -7.977 475 HG3 ARG 86 3HG ARG 86 -3.413 4.608 -8.911 476 HD2 ARG 86 2HD ARG 86 -4.728 6.615 -8.544 477 HD3 ARG 86 3HD ARG 86 -3.698 7.101 -7.192 478 HH11 ARG 86 1HH2 ARG 86 -3.500 5.816 -10.817 479 HH12 ARG 86 2HH2 ARG 86 -1.985 5.907 -11.691 480 HH21 ARG 86 2HH1 ARG 86 -0.592 8.128 -9.508 481 HH22 ARG 86 1HH1 ARG 86 -0.366 7.108 -10.893 482 H LEU 87 H LEU 87 -5.279 3.006 -4.494 483 HA LEU 87 HA LEU 87 -5.773 0.377 -5.647 484 HG LEU 87 HG LEU 87 -3.544 -0.334 -5.722 485 HB2 LEU 87 2HB LEU 87 -4.039 1.248 -3.299 486 HB3 LEU 87 3HB LEU 87 -4.633 -0.322 -3.500 487 HD11 LEU 87 1HD1 LEU 87 -1.488 1.200 -5.830 488 HD12 LEU 87 2HD1 LEU 87 -3.076 1.532 -6.527 489 HD13 LEU 87 3HD1 LEU 87 -2.581 2.287 -4.947 490 HD21 LEU 87 3HD2 LEU 87 -1.754 0.117 -3.298 491 HD22 LEU 87 1HD2 LEU 87 -2.507 -1.440 -3.734 492 HD23 LEU 87 2HD2 LEU 87 -1.250 -0.730 -4.768 493 H ASN 88 H ASN 88 -7.643 2.617 -4.143 494 HA ASN 88 HA ASN 88 -8.706 1.056 -1.964 495 HB2 ASN 88 2HB ASN 88 -8.888 3.460 -2.012 496 HB3 ASN 88 3HB ASN 88 -9.952 3.385 -3.424 497 HD21 ASN 88 2HD2 ASN 88 -9.636 2.455 0.029 498 HD22 ASN 88 1HD2 ASN 88 -11.359 2.381 0.302 499 H ASN 89 H ASN 89 -9.094 -0.939 -2.482 500 HA ASN 89 HA ASN 89 -10.410 -2.712 -2.766 501 HB2 ASN 89 2HB ASN 89 -12.140 -1.322 -1.828 502 HB3 ASN 89 3HB ASN 89 -12.654 -0.808 -3.417 503 HD21 ASN 89 1HD2 ASN 89 -12.162 -3.630 -1.261 504 HD22 ASN 89 2HD2 ASN 89 -13.415 -4.622 -2.012 505 H ILE 90 H ILE 90 -8.654 -2.783 -4.297 506 HA ILE 90 HA ILE 90 -9.454 -3.017 -7.182 507 HB ILE 90 HB ILE 90 -7.022 -2.590 -7.665 508 HG12 ILE 90 2HG1 ILE 90 -6.180 -1.491 -5.191 509 HG13 ILE 90 3HG1 ILE 90 -6.694 -3.087 -4.853 510 HG21 ILE 90 1HG2 ILE 90 -8.288 -0.386 -5.998 511 HG22 ILE 90 2HG2 ILE 90 -7.084 -0.228 -7.301 512 HG23 ILE 90 3HG2 ILE 90 -8.720 -0.770 -7.674 513 HD11 ILE 90 3HD1 ILE 90 -4.716 -2.243 -6.998 514 HD12 ILE 90 1HD1 ILE 90 -4.338 -2.990 -5.433 515 HD13 ILE 90 2HD1 ILE 90 -5.238 -3.921 -6.663 516 H GLU 91 H GLU 91 -9.030 -4.759 -8.336 517 HA GLU 91 HA GLU 91 -8.415 -7.215 -6.944 518 HB2 GLU 91 2HB GLU 91 -10.020 -7.058 -8.746 519 HB3 GLU 91 3HB GLU 91 -8.713 -6.610 -9.825 520 HG2 GLU 91 2HG GLU 91 -8.244 -9.140 -8.362 521 HG3 GLU 91 3HG GLU 91 -9.674 -9.169 -9.308 522 H PHE 92 H PHE 92 -6.664 -7.972 -6.498 523 HA PHE 92 HA PHE 92 -4.078 -7.160 -7.707 524 HD1 PHE 92 HD1 PHE 92 -2.007 -8.126 -7.349 525 HD2 PHE 92 HD2 PHE 92 -3.025 -7.769 -3.164 526 HE1 PHE 92 HE1 PHE 92 0.325 -8.537 -6.763 527 HE2 PHE 92 HE2 PHE 92 -0.643 -8.178 -2.591 528 HZ PHE 92 HZ PHE 92 1.027 -8.518 -4.415 529 HB2 PHE 92 2HB PHE 92 -4.599 -6.784 -5.271 530 HB3 PHE 92 3HB PHE 92 -4.730 -8.405 -5.004 531 H ARG 93 H ARG 93 -3.803 -8.762 -9.353 532 HA ARG 93 HA ARG 93 -3.443 -10.746 -10.345 533 HE ARG 93 HE ARG 93 0.857 -11.795 -5.272 534 HB2 ARG 93 2HB ARG 93 -1.698 -12.103 -9.395 535 HB3 ARG 93 3HB ARG 93 -1.381 -10.394 -9.061 536 HG2 ARG 93 2HG ARG 93 -2.078 -10.654 -6.776 537 HG3 ARG 93 3HG ARG 93 -2.552 -12.341 -7.053 538 HD2 ARG 93 2HD ARG 93 -0.277 -13.013 -7.296 539 HD3 ARG 93 3HD ARG 93 0.270 -11.347 -7.486 540 HH11 ARG 93 1HH1 ARG 93 -2.707 -12.010 -5.299 541 HH12 ARG 93 2HH1 ARG 93 -2.679 -12.111 -3.547 542 HH21 ARG 93 1HH2 ARG 93 0.662 -11.725 -3.241 543 HH22 ARG 93 2HH2 ARG 93 -0.940 -11.664 -2.456 544 H GLY 94 H GLY 94 -5.994 -10.726 -8.881 545 HA2 GLY 94 2HA GLY 94 -7.671 -12.453 -9.089 546 HA3 GLY 94 3HA GLY 94 -6.506 -13.669 -8.599 547 H SER 95 H SER 95 -6.013 -11.077 -6.398 548 HA SER 95 HA SER 95 -8.077 -11.985 -4.470 549 HG SER 95 HG SER 95 -4.962 -12.706 -2.971 550 HB2 SER 95 2HB SER 95 -5.242 -10.829 -4.209 551 HB3 SER 95 3HB SER 95 -6.417 -10.881 -2.865 552 H VAL 96 H VAL 96 -8.188 -9.655 -3.080 553 HA VAL 96 HA VAL 96 -7.859 -7.383 -4.881 554 HB VAL 96 HB VAL 96 -9.840 -6.880 -5.472 555 HG11 VAL 96 1HG1 VAL 96 -10.384 -9.145 -5.618 556 HG12 VAL 96 2HG1 VAL 96 -10.948 -9.182 -3.920 557 HG13 VAL 96 3HG1 VAL 96 -11.810 -8.219 -5.156 558 HG21 VAL 96 3HG2 VAL 96 -10.880 -6.754 -2.662 559 HG22 VAL 96 1HG2 VAL 96 -10.108 -5.436 -3.583 560 HG23 VAL 96 2HG2 VAL 96 -11.631 -6.115 -4.140 561 H ILE 97 H ILE 97 -7.558 -5.445 -3.604 562 HA ILE 97 HA ILE 97 -7.516 -5.754 -0.630 563 HB ILE 97 HB ILE 97 -5.554 -4.150 -0.677 564 HG12 ILE 97 2HG1 ILE 97 -5.137 -5.357 -3.444 565 HG13 ILE 97 3HG1 ILE 97 -5.575 -3.672 -3.102 566 HG21 ILE 97 1HG2 ILE 97 -4.911 -6.985 -1.533 567 HG22 ILE 97 2HG2 ILE 97 -3.972 -5.877 -0.470 568 HG23 ILE 97 3HG2 ILE 97 -5.506 -6.540 0.074 569 HD11 ILE 97 3HD1 ILE 97 -2.956 -4.995 -2.314 570 HD12 ILE 97 1HD1 ILE 97 -3.210 -3.787 -3.580 571 HD13 ILE 97 2HD1 ILE 97 -3.473 -3.340 -1.887 572 H THR 98 H THR 98 -8.141 -4.095 0.529 573 HA THR 98 HA THR 98 -9.198 -1.616 -0.766 574 HB THR 98 HB THR 98 -9.825 -2.802 1.928 575 HG1 THR 98 1HG THR 98 -11.705 -3.546 1.040 576 HG21 THR 98 1HG2 THR 98 -11.813 -1.331 1.862 577 HG22 THR 98 2HG2 THR 98 -10.296 -0.431 1.909 578 HG23 THR 98 3HG2 THR 98 -11.189 -0.580 0.376 579 H VAL 99 H VAL 99 -8.512 0.373 0.211 580 HA VAL 99 HA VAL 99 -6.215 0.132 2.075 581 HB VAL 99 HB VAL 99 -4.699 1.322 0.769 582 HG11 VAL 99 1HG1 VAL 99 -4.348 -0.141 -1.110 583 HG12 VAL 99 2HG1 VAL 99 -5.017 -1.087 0.227 584 HG13 VAL 99 3HG1 VAL 99 -6.047 -0.634 -1.128 585 HG21 VAL 99 3HG2 VAL 99 -5.944 2.992 -0.283 586 HG22 VAL 99 1HG2 VAL 99 -5.333 1.985 -1.597 587 HG23 VAL 99 2HG2 VAL 99 -7.019 1.816 -1.060 588 H GLU 100 H GLU 100 -5.677 1.811 3.241 589 HA GLU 100 HA GLU 100 -7.072 4.425 3.187 590 HB2 GLU 100 2HB GLU 100 -8.226 3.989 5.352 591 HB3 GLU 100 3HB GLU 100 -8.909 2.998 4.076 592 HG2 GLU 100 2HG GLU 100 -6.895 2.015 6.160 593 HG3 GLU 100 3HG GLU 100 -8.627 1.990 6.392 594 H ARG 101 H ARG 101 -6.525 5.802 4.856 595 HA ARG 101 HA ARG 101 -3.880 5.745 5.945 596 HE ARG 101 HE ARG 101 -6.242 9.879 7.858 597 HB2 ARG 101 2HB ARG 101 -4.635 7.702 7.129 598 HB3 ARG 101 3HB ARG 101 -5.175 7.756 5.465 599 HG2 ARG 101 2HG ARG 101 -7.406 6.671 6.505 600 HG3 ARG 101 3HG ARG 101 -6.797 7.396 7.990 601 HD2 ARG 101 2HD ARG 101 -6.956 9.090 5.473 602 HD3 ARG 101 3HD ARG 101 -8.448 8.633 6.283 603 HH11 ARG 101 1HH1 ARG 101 -9.455 10.403 6.521 604 HH12 ARG 101 2HH1 ARG 101 -9.793 11.686 7.655 605 HH21 ARG 101 2HH2 ARG 101 -6.792 11.324 9.330 606 HH22 ARG 101 1HH2 ARG 101 -8.285 12.246 9.199 607 H ASP 102 H ASP 102 -3.082 5.134 7.873 608 HA ASP 102 HA ASP 102 -4.816 3.511 9.701 609 HB2 ASP 102 2HB ASP 102 -3.238 2.335 8.153 610 HB3 ASP 102 3HB ASP 102 -1.899 3.121 8.972 611 H ASP 103 H ASP 103 -2.295 6.000 9.663 612 HA ASP 103 HA ASP 103 -2.545 6.231 12.636 613 HB2 ASP 103 2HB ASP 103 -0.238 6.546 12.887 614 HB3 ASP 103 3HB ASP 103 -0.410 5.120 11.870 615 H ASN 104 H ASN 104 -3.213 7.840 9.834 616 HA ASN 104 HA ASN 104 -3.116 10.532 11.064 617 HB2 ASN 104 2HB ASN 104 -0.960 10.314 9.902 618 HB3 ASN 104 3HB ASN 104 -1.758 9.718 8.456 619 HD21 ASN 104 1HD2 ASN 104 -3.331 11.237 7.441 620 HD22 ASN 104 2HD2 ASN 104 -2.882 12.943 7.388 Start of MODEL 19 1 HA PRO 25 HA PRO 25 10.541 16.149 6.198 2 HB2 PRO 25 2HB PRO 25 9.440 15.164 3.521 3 HB3 PRO 25 3HB PRO 25 10.745 16.376 3.793 4 HG2 PRO 25 2HG PRO 25 11.337 13.738 3.467 5 HG3 PRO 25 3HG PRO 25 12.209 14.723 4.675 6 HD2 PRO 25 2HD PRO 25 10.228 12.567 5.150 7 HD3 PRO 25 3HD PRO 25 11.423 13.272 6.260 8 H ALA 26 H ALA 26 8.367 16.958 3.786 9 HA ALA 26 HA ALA 26 6.635 18.657 5.247 10 HB1 ALA 26 1HB ALA 26 7.036 18.776 2.813 11 HB2 ALA 26 2HB ALA 26 6.265 17.190 2.590 12 HB3 ALA 26 3HB ALA 26 5.300 18.579 3.143 13 H LYS 27 H LYS 27 6.346 15.282 4.343 14 HA LYS 27 HA LYS 27 4.540 14.701 6.597 15 HB2 LYS 27 2HB LYS 27 3.821 14.461 3.729 16 HB3 LYS 27 3HB LYS 27 3.804 12.895 4.478 17 HG2 LYS 27 2HG LYS 27 2.215 15.301 5.424 18 HG3 LYS 27 3HG LYS 27 1.644 13.894 4.525 19 HD2 LYS 27 2HD LYS 27 2.509 12.501 6.582 20 HD3 LYS 27 3HD LYS 27 2.464 14.068 7.422 21 HE2 LYS 27 2HE LYS 27 0.069 14.285 6.482 22 HE3 LYS 27 3HE LYS 27 0.190 12.576 6.039 23 HZ1 LYS 27 3HZ LYS 27 0.417 12.016 8.394 24 HZ2 LYS 27 1HZ LYS 27 0.580 13.593 8.815 25 HZ3 LYS 27 2HZ LYS 27 -0.848 13.055 8.261 26 H ARG 28 H ARG 28 4.569 12.349 6.970 27 HA ARG 28 HA ARG 28 6.288 10.540 5.582 28 HE ARG 28 HE ARG 28 8.532 8.715 8.897 29 HB2 ARG 28 2HB ARG 28 7.717 9.807 7.309 30 HB3 ARG 28 3HB ARG 28 8.129 11.402 6.758 31 HG2 ARG 28 2HG ARG 28 7.474 12.473 8.744 32 HG3 ARG 28 3HG ARG 28 6.457 11.131 9.287 33 HD2 ARG 28 2HD ARG 28 9.459 10.961 8.900 34 HD3 ARG 28 3HD ARG 28 8.693 11.293 10.459 35 HH11 ARG 28 1HH1 ARG 28 7.756 10.274 11.954 36 HH12 ARG 28 2HH1 ARG 28 7.029 8.819 12.580 37 HH21 ARG 28 2HH2 ARG 28 7.506 7.013 9.676 38 HH22 ARG 28 1HH2 ARG 28 6.942 6.991 11.331 39 H TYR 29 H TYR 29 3.877 10.409 5.508 40 HA TYR 29 HA TYR 29 2.268 9.735 7.729 41 HD1 TYR 29 HD1 TYR 29 1.037 7.017 4.998 42 HD2 TYR 29 HD2 TYR 29 2.382 10.808 3.365 43 HE1 TYR 29 HE1 TYR 29 1.503 5.914 2.863 44 HE2 TYR 29 HE2 TYR 29 2.652 9.736 1.225 45 HH TYR 29 HH TYR 29 2.041 6.185 0.720 46 HB2 TYR 29 2HB TYR 29 0.537 9.270 6.077 47 HB3 TYR 29 3HB TYR 29 1.402 10.689 5.592 48 H ARG 30 H ARG 30 0.788 7.705 7.632 49 HA ARG 30 HA ARG 30 2.166 5.301 6.653 50 HE ARG 30 HE ARG 30 4.409 4.318 8.279 51 HB2 ARG 30 2HB ARG 30 2.927 5.508 8.989 52 HB3 ARG 30 3HB ARG 30 1.265 5.586 9.492 53 HG2 ARG 30 2HG ARG 30 2.117 3.397 9.977 54 HG3 ARG 30 3HG ARG 30 0.869 3.264 8.741 55 HD2 ARG 30 2HD ARG 30 2.788 1.810 8.315 56 HD3 ARG 30 3HD ARG 30 2.554 2.964 7.011 57 HH11 ARG 30 2HH2 ARG 30 4.496 0.878 7.760 58 HH12 ARG 30 1HH2 ARG 30 6.056 0.673 8.499 59 HH21 ARG 30 2HH1 ARG 30 6.535 4.122 8.735 60 HH22 ARG 30 1HH1 ARG 30 7.247 2.529 8.881 61 H ILE 31 H ILE 31 0.786 4.214 5.474 62 HA ILE 31 HA ILE 31 -2.136 4.271 6.147 63 HB ILE 31 HB ILE 31 -2.620 3.530 3.864 64 HG12 ILE 31 2HG1 ILE 31 0.274 4.061 3.183 65 HG13 ILE 31 3HG1 ILE 31 -0.413 2.440 3.384 66 HG21 ILE 31 1HG2 ILE 31 -1.007 6.099 3.885 67 HG22 ILE 31 2HG2 ILE 31 -2.262 5.638 2.719 68 HG23 ILE 31 3HG2 ILE 31 -2.698 5.894 4.398 69 HD11 ILE 31 3HD1 ILE 31 -2.052 2.961 1.550 70 HD12 ILE 31 1HD1 ILE 31 -1.131 4.454 1.232 71 HD13 ILE 31 2HD1 ILE 31 -0.349 2.883 1.041 72 H THR 32 H THR 32 -3.281 2.439 5.836 73 HA THR 32 HA THR 32 -2.013 -0.287 6.283 74 HB THR 32 HB THR 32 -4.701 0.924 6.846 75 HG1 THR 32 1HG THR 32 -4.015 0.867 8.909 76 HG21 THR 32 1HG2 THR 32 -5.032 -1.428 6.213 77 HG22 THR 32 2HG2 THR 32 -3.674 -1.937 7.251 78 HG23 THR 32 3HG2 THR 32 -5.169 -1.298 7.976 79 H MET 33 H MET 33 -2.202 -1.721 4.859 80 HA MET 33 HA MET 33 -4.233 -1.477 2.801 81 HB2 MET 33 2HB MET 33 -1.352 -2.282 2.104 82 HB3 MET 33 3HB MET 33 -2.747 -2.217 1.017 83 HG2 MET 33 2HG MET 33 -2.871 0.285 1.842 84 HG3 MET 33 3HG MET 33 -1.244 -0.001 2.337 85 HE1 MET 33 3HE MET 33 -0.310 -1.008 -1.691 86 HE2 MET 33 1HE MET 33 -0.039 -1.639 -0.045 87 HE3 MET 33 2HE MET 33 -1.593 -1.930 -0.865 88 H LYS 34 H LYS 34 -5.464 -3.078 2.990 89 HA LYS 34 HA LYS 34 -4.633 -5.749 4.083 90 HB2 LYS 34 2HB LYS 34 -4.733 -3.971 5.838 91 HB3 LYS 34 3HB LYS 34 -6.186 -3.348 5.040 92 HG2 LYS 34 2HG LYS 34 -6.568 -5.900 6.293 93 HG3 LYS 34 3HG LYS 34 -6.254 -4.447 7.300 94 HD2 LYS 34 2HD LYS 34 -8.423 -4.489 5.132 95 HD3 LYS 34 3HD LYS 34 -8.753 -4.892 6.753 96 HE2 LYS 34 2HE LYS 34 -9.037 -2.645 7.148 97 HE3 LYS 34 3HE LYS 34 -7.284 -2.476 6.979 98 HZ1 LYS 34 3HZ LYS 34 -7.698 -2.196 4.524 99 HZ2 LYS 34 1HZ LYS 34 -9.311 -2.089 4.868 100 HZ3 LYS 34 2HZ LYS 34 -8.253 -0.986 5.447 101 H ASN 35 H ASN 35 -6.399 -7.208 4.025 102 HA ASN 35 HA ASN 35 -8.951 -6.446 4.236 103 HB2 ASN 35 2HB ASN 35 -9.336 -5.573 2.100 104 HB3 ASN 35 3HB ASN 35 -8.169 -6.641 1.370 105 HD21 ASN 35 2HD2 ASN 35 -9.032 -8.076 -0.004 106 HD22 ASN 35 1HD2 ASN 35 -10.716 -8.599 0.023 107 H LEU 36 H LEU 36 -10.383 -8.455 4.394 108 HA LEU 36 HA LEU 36 -9.030 -10.487 5.648 109 HG LEU 36 HG LEU 36 -12.571 -10.388 6.821 110 HB2 LEU 36 2HB LEU 36 -11.837 -10.374 4.534 111 HB3 LEU 36 3HB LEU 36 -11.248 -11.782 5.393 112 HD11 LEU 36 1HD1 LEU 36 -11.145 -10.186 8.744 113 HD12 LEU 36 2HD1 LEU 36 -10.637 -11.614 7.822 114 HD13 LEU 36 3HD1 LEU 36 -9.690 -10.109 7.740 115 HD21 LEU 36 3HD2 LEU 36 -10.533 -8.145 6.584 116 HD22 LEU 36 1HD2 LEU 36 -12.126 -8.167 5.770 117 HD23 LEU 36 2HD2 LEU 36 -12.020 -8.170 7.540 118 HA PRO 37 HA PRO 37 -9.201 -13.453 1.694 119 HB2 PRO 37 2HB PRO 37 -9.089 -11.110 -0.223 120 HB3 PRO 37 3HB PRO 37 -9.595 -12.799 -0.554 121 HG2 PRO 37 2HG PRO 37 -11.458 -10.907 -0.029 122 HG3 PRO 37 3HG PRO 37 -11.596 -12.536 0.699 123 HD2 PRO 37 2HD PRO 37 -10.748 -9.977 1.995 124 HD3 PRO 37 3HD PRO 37 -11.594 -11.390 2.662 125 H GLU 38 H GLU 38 -6.960 -10.862 2.500 126 HA GLU 38 HA GLU 38 -4.739 -12.415 1.211 127 HB2 GLU 38 2HB GLU 38 -5.465 -10.573 -0.293 128 HB3 GLU 38 3HB GLU 38 -5.111 -9.417 0.988 129 HG2 GLU 38 2HG GLU 38 -3.327 -9.512 -0.694 130 HG3 GLU 38 3HG GLU 38 -2.760 -9.928 0.908 131 H GLY 39 H GLY 39 -2.907 -12.506 2.216 132 HA2 GLY 39 2HA GLY 39 -2.519 -11.196 4.879 133 HA3 GLY 39 3HA GLY 39 -1.791 -12.691 4.315 134 H CYS 40 H CYS 40 -1.160 -11.697 1.678 135 HA CYS 40 HA CYS 40 0.698 -11.218 0.604 136 HG CYS 40 HG CYS 40 -0.568 -8.764 3.089 137 HB2 CYS 40 2HB CYS 40 0.989 -8.821 0.193 138 HB3 CYS 40 3HB CYS 40 -0.693 -9.271 0.271 139 H SER 41 H SER 41 2.710 -9.497 0.595 140 HA SER 41 HA SER 41 4.437 -9.717 2.959 141 HG SER 41 HG SER 41 4.079 -12.080 0.389 142 HB2 SER 41 2HB SER 41 5.636 -10.594 0.343 143 HB3 SER 41 3HB SER 41 6.140 -10.976 1.991 144 H TRP 42 H TRP 42 6.492 -8.277 2.537 145 HA TRP 42 HA TRP 42 5.571 -5.915 1.259 146 HD1 TRP 42 HD1 TRP 42 10.008 -4.374 1.937 147 HE1 TRP 42 HE1 TRP 42 9.940 -2.083 0.808 148 HE3 TRP 42 HE3 TRP 42 4.987 -4.112 0.812 149 HZ2 TRP 42 HZ2 TRP 42 7.977 -0.445 -0.636 150 HZ3 TRP 42 HZ3 TRP 42 4.129 -2.289 -0.563 151 HH2 TRP 42 HH2 TRP 42 5.573 -0.450 -1.256 152 HB2 TRP 42 2HB TRP 42 7.283 -5.803 3.007 153 HB3 TRP 42 3HB TRP 42 8.464 -6.471 1.898 154 H GLN 43 H GLN 43 7.729 -8.446 -0.018 155 HA GLN 43 HA GLN 43 8.207 -7.122 -2.447 156 HB2 GLN 43 2HB GLN 43 8.582 -9.392 -3.441 157 HB3 GLN 43 3HB GLN 43 9.457 -9.169 -1.929 158 HG2 GLN 43 2HG GLN 43 8.144 -10.702 -0.766 159 HG3 GLN 43 3HG GLN 43 6.719 -10.423 -1.751 160 HE21 GLN 43 1HE2 GLN 43 6.157 -12.001 -3.201 161 HE22 GLN 43 2HE2 GLN 43 7.306 -13.201 -3.803 162 H ASP 44 H ASP 44 5.273 -8.503 -1.416 163 HA ASP 44 HA ASP 44 4.195 -8.909 -4.123 164 HB2 ASP 44 2HB ASP 44 3.001 -9.115 -1.327 165 HB3 ASP 44 3HB ASP 44 2.231 -9.449 -2.826 166 H LEU 45 H LEU 45 3.648 -6.849 -1.252 167 HA LEU 45 HA LEU 45 1.702 -5.194 -2.556 168 HG LEU 45 HG LEU 45 1.191 -6.430 -0.064 169 HB2 LEU 45 2HB LEU 45 3.299 -5.151 0.002 170 HB3 LEU 45 3HB LEU 45 2.445 -3.704 -0.500 171 HD11 LEU 45 1HD1 LEU 45 0.178 -5.162 1.943 172 HD12 LEU 45 2HD1 LEU 45 1.924 -5.395 2.017 173 HD13 LEU 45 3HD1 LEU 45 1.255 -3.807 1.536 174 HD21 LEU 45 3HD2 LEU 45 -0.100 -3.725 -0.612 175 HD22 LEU 45 1HD2 LEU 45 -0.183 -5.123 -1.676 176 HD23 LEU 45 2HD2 LEU 45 -0.985 -5.173 -0.103 177 H LYS 46 H LYS 46 5.259 -4.866 -2.194 178 HA LYS 46 HA LYS 46 5.552 -2.316 -3.621 179 HB2 LYS 46 2HB LYS 46 7.380 -3.450 -2.302 180 HB3 LYS 46 3HB LYS 46 7.400 -4.719 -3.532 181 HG2 LYS 46 2HG LYS 46 9.235 -3.221 -3.917 182 HG3 LYS 46 3HG LYS 46 8.079 -3.109 -5.236 183 HD2 LYS 46 2HD LYS 46 8.553 -0.912 -5.001 184 HD3 LYS 46 3HD LYS 46 7.225 -0.970 -3.850 185 HE2 LYS 46 2HE LYS 46 9.035 -1.177 -2.063 186 HE3 LYS 46 3HE LYS 46 10.238 -1.021 -3.335 187 HZ1 LYS 46 3HZ LYS 46 9.733 1.163 -2.310 188 HZ2 LYS 46 1HZ LYS 46 9.329 1.177 -3.903 189 HZ3 LYS 46 2HZ LYS 46 8.168 1.062 -2.799 190 H ASP 47 H ASP 47 5.680 -5.668 -4.929 191 HA ASP 47 HA ASP 47 5.799 -4.755 -7.587 192 HB2 ASP 47 2HB ASP 47 5.880 -7.214 -6.525 193 HB3 ASP 47 3HB ASP 47 4.192 -7.244 -6.904 194 H LEU 48 H LEU 48 2.847 -5.488 -5.732 195 HA LEU 48 HA LEU 48 1.133 -4.932 -7.846 196 HG LEU 48 HG LEU 48 -1.693 -4.971 -5.682 197 HB2 LEU 48 2HB LEU 48 0.398 -5.909 -5.758 198 HB3 LEU 48 3HB LEU 48 0.493 -4.354 -4.935 199 HD11 LEU 48 1HD1 LEU 48 -1.779 -2.943 -5.129 200 HD12 LEU 48 2HD1 LEU 48 -1.169 -2.386 -6.694 201 HD13 LEU 48 3HD1 LEU 48 -2.734 -3.224 -6.606 202 HD21 LEU 48 3HD2 LEU 48 -2.535 -5.162 -7.873 203 HD22 LEU 48 1HD2 LEU 48 -1.021 -4.546 -8.549 204 HD23 LEU 48 2HD2 LEU 48 -1.065 -6.148 -7.794 205 H ALA 49 H ALA 49 2.389 -2.819 -5.247 206 HA ALA 49 HA ALA 49 0.946 -0.573 -5.942 207 HB1 ALA 49 1HB ALA 49 3.561 -1.147 -4.519 208 HB2 ALA 49 2HB ALA 49 3.233 0.507 -4.938 209 HB3 ALA 49 3HB ALA 49 2.061 -0.384 -3.914 210 H ARG 50 H ARG 50 4.019 -1.817 -7.312 211 HA ARG 50 HA ARG 50 4.472 0.431 -9.053 212 HE ARG 50 HE ARG 50 8.025 1.043 -7.660 213 HB2 ARG 50 2HB ARG 50 5.429 -2.236 -9.975 214 HB3 ARG 50 3HB ARG 50 6.227 -0.664 -10.017 215 HG2 ARG 50 2HG ARG 50 5.838 -2.525 -7.728 216 HG3 ARG 50 3HG ARG 50 7.286 -2.237 -8.460 217 HD2 ARG 50 2HD ARG 50 5.979 0.102 -7.143 218 HD3 ARG 50 3HD ARG 50 6.829 -1.065 -6.174 219 HH11 ARG 50 1HH2 ARG 50 8.840 -2.384 -7.311 220 HH12 ARG 50 2HH2 ARG 50 10.523 -2.036 -7.583 221 HH21 ARG 50 1HH1 ARG 50 10.037 1.350 -7.858 222 HH22 ARG 50 2HH1 ARG 50 11.207 0.033 -7.932 223 H GLU 51 H GLU 51 2.450 -2.526 -9.287 224 HA GLU 51 HA GLU 51 1.862 -2.226 -12.164 225 HB2 GLU 51 2HB GLU 51 0.578 -3.653 -9.816 226 HB3 GLU 51 3HB GLU 51 -0.243 -3.565 -11.301 227 HG2 GLU 51 2HG GLU 51 2.686 -4.484 -11.177 228 HG3 GLU 51 3HG GLU 51 1.471 -5.530 -10.513 229 H ASN 52 H ASN 52 0.768 -0.745 -9.233 230 HA ASN 52 HA ASN 52 -1.733 0.238 -10.435 231 HB2 ASN 52 2HB ASN 52 -0.659 -0.580 -7.802 232 HB3 ASN 52 3HB ASN 52 -1.685 0.715 -7.668 233 HD21 ASN 52 2HD2 ASN 52 -1.516 -2.414 -9.286 234 HD22 ASN 52 1HD2 ASN 52 -3.147 -2.839 -8.820 235 H SER 53 H SER 53 1.114 1.743 -8.889 236 HA SER 53 HA SER 53 1.756 3.892 -10.171 237 HG SER 53 HG SER 53 -1.194 5.765 -8.155 238 HB2 SER 53 2HB SER 53 0.486 5.862 -9.477 239 HB3 SER 53 3HB SER 53 -0.559 4.815 -10.420 240 H LEU 54 H LEU 54 1.520 2.396 -7.231 241 HA LEU 54 HA LEU 54 1.553 4.666 -5.479 242 HG LEU 54 HG LEU 54 -0.339 2.996 -3.904 243 HB2 LEU 54 2HB LEU 54 1.196 1.822 -5.226 244 HB3 LEU 54 3HB LEU 54 2.531 2.284 -4.178 245 HD11 LEU 54 1HD1 LEU 54 0.214 2.353 -1.547 246 HD12 LEU 54 2HD1 LEU 54 0.646 1.072 -2.686 247 HD13 LEU 54 3HD1 LEU 54 1.905 2.124 -2.015 248 HD21 LEU 54 3HD2 LEU 54 0.578 4.606 -2.020 249 HD22 LEU 54 1HD2 LEU 54 2.045 4.615 -2.981 250 HD23 LEU 54 2HD2 LEU 54 0.520 5.197 -3.683 251 H GLU 55 H GLU 55 4.242 2.497 -6.458 252 HA GLU 55 HA GLU 55 6.286 2.192 -5.740 253 HB2 GLU 55 2HB GLU 55 6.446 4.102 -7.202 254 HB3 GLU 55 3HB GLU 55 6.187 5.199 -5.845 255 HG2 GLU 55 2HG GLU 55 8.428 5.146 -6.416 256 HG3 GLU 55 3HG GLU 55 8.228 4.478 -4.793 257 H THR 56 H THR 56 5.288 4.732 -3.740 258 HA THR 56 HA THR 56 6.011 5.592 -1.723 259 HB THR 56 HB THR 56 5.501 4.353 0.196 260 HG1 THR 56 1HG THR 56 5.856 2.102 -1.473 261 HG21 THR 56 1HG2 THR 56 3.349 3.273 -0.269 262 HG22 THR 56 2HG2 THR 56 3.522 4.844 -1.031 263 HG23 THR 56 3HG2 THR 56 3.700 3.366 -2.005 264 H THR 57 H THR 57 7.467 5.116 0.405 265 HA THR 57 HA THR 57 10.224 4.605 -0.499 266 HB THR 57 HB THR 57 9.267 4.792 2.373 267 HG1 THR 57 1HG THR 57 10.033 6.948 0.682 268 HG21 THR 57 1HG2 THR 57 11.476 5.810 2.738 269 HG22 THR 57 2HG2 THR 57 11.605 4.163 2.094 270 HG23 THR 57 3HG2 THR 57 11.883 5.558 1.028 271 H PHE 58 H PHE 58 7.805 3.155 1.701 272 HA PHE 58 HA PHE 58 8.797 0.450 1.432 273 HD1 PHE 58 HD1 PHE 58 9.131 3.566 4.629 274 HD2 PHE 58 HD2 PHE 58 9.592 -0.705 5.066 275 HE1 PHE 58 HE1 PHE 58 8.892 3.780 7.093 276 HE2 PHE 58 HE2 PHE 58 9.314 -0.490 7.513 277 HZ PHE 58 HZ PHE 58 9.030 1.751 8.542 278 HB2 PHE 58 2HB PHE 58 10.263 0.394 3.058 279 HB3 PHE 58 3HB PHE 58 10.361 2.104 2.947 280 H SER 59 H SER 59 7.882 -1.001 3.115 281 HA SER 59 HA SER 59 5.550 0.036 4.603 282 HG SER 59 HG SER 59 3.384 -2.559 3.379 283 HB2 SER 59 2HB SER 59 4.590 -0.756 2.589 284 HB3 SER 59 3HB SER 59 5.493 -2.254 2.671 285 H SER 60 H SER 60 4.971 -1.178 6.325 286 HA SER 60 HA SER 60 6.816 -3.268 7.406 287 HG SER 60 HG SER 60 7.270 -1.730 9.340 288 HB2 SER 60 2HB SER 60 4.507 -1.703 8.614 289 HB3 SER 60 3HB SER 60 5.410 -2.982 9.457 290 H VAL 61 H VAL 61 6.328 -5.201 6.606 291 HA VAL 61 HA VAL 61 3.587 -6.319 6.701 292 HB VAL 61 HB VAL 61 5.237 -7.087 4.320 293 HG11 VAL 61 1HG1 VAL 61 2.236 -6.604 4.611 294 HG12 VAL 61 2HG1 VAL 61 3.042 -7.332 3.221 295 HG13 VAL 61 3HG1 VAL 61 2.988 -8.188 4.760 296 HG21 VAL 61 3HG2 VAL 61 4.208 -5.353 2.872 297 HG22 VAL 61 1HG2 VAL 61 3.635 -4.535 4.323 298 HG23 VAL 61 2HG2 VAL 61 5.374 -4.683 4.013 299 H ASN 62 H ASN 62 3.915 -8.835 6.011 300 HA ASN 62 HA ASN 62 4.966 -10.832 6.101 301 HB2 ASN 62 2HB ASN 62 7.467 -9.521 7.179 302 HB3 ASN 62 3HB ASN 62 7.362 -11.057 6.335 303 HD21 ASN 62 1HD2 ASN 62 8.710 -8.201 5.969 304 HD22 ASN 62 2HD2 ASN 62 8.511 -7.962 4.248 305 H THR 63 H THR 63 4.626 -8.792 8.720 306 HA THR 63 HA THR 63 5.250 -10.528 10.955 307 HB THR 63 HB THR 63 5.379 -8.062 10.957 308 HG1 THR 63 1HG THR 63 4.553 -7.836 12.995 309 HG21 THR 63 1HG2 THR 63 3.382 -6.685 11.273 310 HG22 THR 63 2HG2 THR 63 3.345 -7.457 9.685 311 HG23 THR 63 3HG2 THR 63 2.327 -8.082 11.003 312 H ARG 64 H ARG 64 2.953 -10.100 12.534 313 HA ARG 64 HA ARG 64 0.796 -11.731 11.230 314 HE ARG 64 HE ARG 64 2.184 -13.322 10.206 315 HB2 ARG 64 2HB ARG 64 1.772 -11.881 14.108 316 HB3 ARG 64 3HB ARG 64 0.355 -12.716 13.484 317 HG2 ARG 64 2HG ARG 64 3.193 -13.215 12.443 318 HG3 ARG 64 3HG ARG 64 2.443 -14.098 13.758 319 HD2 ARG 64 2HD ARG 64 2.182 -15.469 11.874 320 HD3 ARG 64 3HD ARG 64 0.589 -14.788 12.217 321 HH11 ARG 64 2HH1 ARG 64 -0.362 -15.750 10.620 322 HH12 ARG 64 1HH1 ARG 64 -0.958 -15.406 8.990 323 HH21 ARG 64 1HH2 ARG 64 1.362 -13.159 8.145 324 HH22 ARG 64 2HH2 ARG 64 -0.038 -14.134 7.713 325 H ASP 65 H ASP 65 -1.124 -11.052 11.349 326 HA ASP 65 HA ASP 65 -1.998 -8.710 13.006 327 HB2 ASP 65 2HB ASP 65 -1.163 -8.284 10.512 328 HB3 ASP 65 3HB ASP 65 -2.692 -9.024 10.058 329 H PHE 66 H PHE 66 -4.605 -8.930 11.340 330 HA PHE 66 HA PHE 66 -6.000 -11.119 12.564 331 HD1 PHE 66 HD1 PHE 66 -5.529 -8.338 9.158 332 HD2 PHE 66 HD2 PHE 66 -7.839 -11.983 9.201 333 HE1 PHE 66 HE1 PHE 66 -5.201 -8.589 6.698 334 HE2 PHE 66 HE2 PHE 66 -7.526 -12.211 6.760 335 HZ PHE 66 HZ PHE 66 -6.242 -10.504 5.501 336 HB2 PHE 66 2HB PHE 66 -7.749 -10.561 11.158 337 HB3 PHE 66 3HB PHE 66 -6.860 -9.043 11.182 338 H ASP 67 H ASP 67 -3.933 -10.822 9.736 339 HA ASP 67 HA ASP 67 -3.015 -13.544 9.907 340 HB2 ASP 67 2HB ASP 67 -4.822 -14.048 8.351 341 HB3 ASP 67 3HB ASP 67 -4.461 -12.620 7.384 342 H GLY 68 H GLY 68 -3.122 -11.009 7.355 343 HA2 GLY 68 2HA GLY 68 -0.598 -9.785 8.209 344 HA3 GLY 68 3HA GLY 68 -0.557 -10.593 6.663 345 H THR 69 H THR 69 -0.641 -7.818 7.746 346 HA THR 69 HA THR 69 -2.050 -6.603 5.405 347 HB THR 69 HB THR 69 -2.640 -4.651 6.590 348 HG1 THR 69 1HG THR 69 -2.021 -5.504 9.142 349 HG21 THR 69 1HG2 THR 69 -3.535 -6.995 8.313 350 HG22 THR 69 2HG2 THR 69 -4.288 -5.390 8.247 351 HG23 THR 69 3HG2 THR 69 -4.290 -6.443 6.816 352 H GLY 70 H GLY 70 -1.009 -4.698 4.622 353 HA2 GLY 70 2HA GLY 70 1.846 -4.410 5.478 354 HA3 GLY 70 3HA GLY 70 1.238 -3.964 3.888 355 H ALA 71 H ALA 71 2.586 -2.292 5.876 356 HA ALA 71 HA ALA 71 0.558 -0.165 5.707 357 HB1 ALA 71 1HB ALA 71 2.182 -0.693 8.247 358 HB2 ALA 71 2HB ALA 71 0.969 0.593 8.012 359 HB3 ALA 71 3HB ALA 71 0.465 -1.096 8.031 360 H LEU 72 H LEU 72 1.313 1.388 4.494 361 HA LEU 72 HA LEU 72 4.173 1.374 3.765 362 HG LEU 72 HG LEU 72 1.741 1.343 0.724 363 HB2 LEU 72 2HB LEU 72 1.786 2.717 2.536 364 HB3 LEU 72 3HB LEU 72 3.357 2.801 1.932 365 HD11 LEU 72 1HD1 LEU 72 3.676 -0.518 0.633 366 HD12 LEU 72 2HD1 LEU 72 3.681 0.995 -0.237 367 HD13 LEU 72 3HD1 LEU 72 4.583 0.878 1.271 368 HD21 LEU 72 3HD2 LEU 72 0.789 0.120 2.594 369 HD22 LEU 72 1HD2 LEU 72 1.450 -0.954 1.341 370 HD23 LEU 72 2HD2 LEU 72 2.323 -0.690 2.849 371 H GLU 73 H GLU 73 5.350 3.276 3.528 372 HA GLU 73 HA GLU 73 4.249 5.803 4.798 373 HB2 GLU 73 2HB GLU 73 5.622 4.730 6.380 374 HB3 GLU 73 3HB GLU 73 6.936 4.475 5.240 375 HG2 GLU 73 2HG GLU 73 7.611 6.711 5.258 376 HG3 GLU 73 3HG GLU 73 6.080 7.309 5.854 377 H PHE 74 H PHE 74 4.848 7.800 3.804 378 HA PHE 74 HA PHE 74 7.104 7.831 1.944 379 HD1 PHE 74 HD1 PHE 74 7.311 6.970 -0.194 380 HD2 PHE 74 HD2 PHE 74 5.350 10.725 -0.690 381 HE1 PHE 74 HE1 PHE 74 8.933 7.550 -2.003 382 HE2 PHE 74 HE2 PHE 74 7.001 11.380 -2.413 383 HZ PHE 74 HZ PHE 74 8.790 9.787 -3.089 384 HB2 PHE 74 2HB PHE 74 4.656 7.599 0.658 385 HB3 PHE 74 3HB PHE 74 4.671 9.295 0.977 386 HA PRO 75 HA PRO 75 7.828 11.981 3.583 387 HB2 PRO 75 2HB PRO 75 8.764 12.382 0.729 388 HB3 PRO 75 3HB PRO 75 9.475 13.029 2.242 389 HG2 PRO 75 2HG PRO 75 10.524 10.805 1.160 390 HG3 PRO 75 3HG PRO 75 10.188 10.830 2.922 391 HD2 PRO 75 2HD PRO 75 8.550 9.615 0.707 392 HD3 PRO 75 3HD PRO 75 8.947 8.940 2.313 393 H SER 76 H SER 76 5.602 11.512 0.872 394 HA SER 76 HA SER 76 4.391 14.176 1.452 395 HG SER 76 HG SER 76 5.796 15.137 -1.602 396 HB2 SER 76 2HB SER 76 4.843 12.907 -1.255 397 HB3 SER 76 3HB SER 76 3.871 14.330 -0.997 398 H GLU 77 H GLU 77 2.315 14.130 1.810 399 HA GLU 77 HA GLU 77 0.799 11.773 1.707 400 HB2 GLU 77 2HB GLU 77 -1.183 13.175 2.010 401 HB3 GLU 77 3HB GLU 77 0.098 13.523 3.159 402 HG2 GLU 77 2HG GLU 77 0.115 15.115 0.624 403 HG3 GLU 77 3HG GLU 77 -1.272 15.346 1.673 404 H GLU 78 H GLU 78 1.665 13.738 -0.941 405 HA GLU 78 HA GLU 78 -0.301 13.375 -2.915 406 HB2 GLU 78 2HB GLU 78 2.719 12.901 -3.090 407 HB3 GLU 78 3HB GLU 78 1.648 13.134 -4.476 408 HG2 GLU 78 2HG GLU 78 1.192 15.434 -3.807 409 HG3 GLU 78 3HG GLU 78 2.075 15.225 -2.295 410 H ILE 79 H ILE 79 2.119 10.995 -1.799 411 HA ILE 79 HA ILE 79 1.176 8.875 -3.543 412 HB ILE 79 HB ILE 79 3.175 8.846 -1.260 413 HG12 ILE 79 2HG1 ILE 79 3.279 9.833 -4.047 414 HG13 ILE 79 3HG1 ILE 79 4.229 10.268 -2.692 415 HG21 ILE 79 1HG2 ILE 79 4.016 6.765 -2.271 416 HG22 ILE 79 2HG2 ILE 79 2.332 6.595 -1.815 417 HG23 ILE 79 3HG2 ILE 79 2.738 6.868 -3.516 418 HD11 ILE 79 3HD1 ILE 79 5.650 9.369 -4.400 419 HD12 ILE 79 1HD1 ILE 79 5.616 8.159 -3.102 420 HD13 ILE 79 2HD1 ILE 79 4.660 7.908 -4.573 421 H LEU 80 H LEU 80 0.589 9.784 -0.195 422 HA LEU 80 HA LEU 80 -0.749 7.423 0.655 423 HG LEU 80 HG LEU 80 -2.825 10.220 1.908 424 HB2 LEU 80 2HB LEU 80 -0.224 8.688 2.432 425 HB3 LEU 80 3HB LEU 80 -0.377 10.185 1.576 426 HD11 LEU 80 1HD1 LEU 80 -3.887 8.818 3.494 427 HD12 LEU 80 2HD1 LEU 80 -3.058 7.714 2.384 428 HD13 LEU 80 3HD1 LEU 80 -2.348 8.082 3.978 429 HD21 LEU 80 3HD2 LEU 80 -1.175 9.964 4.444 430 HD22 LEU 80 1HD2 LEU 80 -1.303 11.419 3.440 431 HD23 LEU 80 2HD2 LEU 80 -2.736 10.795 4.275 432 H VAL 81 H VAL 81 -1.950 10.546 -0.656 433 HA VAL 81 HA VAL 81 -4.758 9.835 -0.674 434 HB VAL 81 HB VAL 81 -3.175 11.989 -2.182 435 HG11 VAL 81 1HG1 VAL 81 -5.356 13.177 -2.464 436 HG12 VAL 81 2HG1 VAL 81 -5.295 11.669 -3.372 437 HG13 VAL 81 3HG1 VAL 81 -6.197 11.740 -1.839 438 HG21 VAL 81 3HG2 VAL 81 -4.039 13.550 -0.524 439 HG22 VAL 81 1HG2 VAL 81 -4.937 12.237 0.281 440 HG23 VAL 81 2HG2 VAL 81 -3.164 12.255 0.292 441 H GLU 82 H GLU 82 -2.155 9.642 -3.064 442 HA GLU 82 HA GLU 82 -3.524 8.697 -5.267 443 HB2 GLU 82 2HB GLU 82 -0.892 8.648 -3.959 444 HB3 GLU 82 3HB GLU 82 -1.151 7.220 -4.757 445 HG2 GLU 82 2HG GLU 82 -1.268 10.049 -5.815 446 HG3 GLU 82 3HG GLU 82 0.076 8.937 -6.067 447 H ALA 83 H ALA 83 -1.911 6.502 -2.841 448 HA ALA 83 HA ALA 83 -3.328 4.168 -3.614 449 HB1 ALA 83 1HB ALA 83 -1.481 3.974 -2.192 450 HB2 ALA 83 2HB ALA 83 -2.229 4.943 -0.893 451 HB3 ALA 83 3HB ALA 83 -2.849 3.319 -1.307 452 H LEU 84 H LEU 84 -4.510 6.623 -1.363 453 HA LEU 84 HA LEU 84 -6.784 5.040 -0.399 454 HG LEU 84 HG LEU 84 -5.013 7.902 1.189 455 HB2 LEU 84 2HB LEU 84 -6.431 8.073 -0.470 456 HB3 LEU 84 3HB LEU 84 -7.716 7.257 0.316 457 HD11 LEU 84 1HD1 LEU 84 -6.051 7.800 3.365 458 HD12 LEU 84 2HD1 LEU 84 -7.074 8.674 2.217 459 HD13 LEU 84 3HD1 LEU 84 -7.490 7.002 2.669 460 HD21 LEU 84 3HD2 LEU 84 -6.036 5.101 1.655 461 HD22 LEU 84 1HD2 LEU 84 -4.477 5.580 0.976 462 HD23 LEU 84 2HD2 LEU 84 -4.781 5.909 2.686 463 H GLU 85 H GLU 85 -6.254 7.099 -3.211 464 HA GLU 85 HA GLU 85 -9.037 6.632 -3.998 465 HB2 GLU 85 2HB GLU 85 -6.779 8.253 -5.254 466 HB3 GLU 85 3HB GLU 85 -8.401 8.137 -5.951 467 HG2 GLU 85 2HG GLU 85 -9.383 9.211 -4.007 468 HG3 GLU 85 3HG GLU 85 -7.818 9.286 -3.199 469 H ARG 86 H ARG 86 -5.994 5.095 -4.544 470 HA ARG 86 HA ARG 86 -6.648 4.126 -7.299 471 HE ARG 86 HE ARG 86 -3.678 7.847 -8.710 472 HB2 ARG 86 2HB ARG 86 -4.177 4.887 -5.756 473 HB3 ARG 86 3HB ARG 86 -3.985 3.538 -6.641 474 HG2 ARG 86 2HG ARG 86 -3.283 5.312 -7.976 475 HG3 ARG 86 3HG ARG 86 -4.809 4.819 -8.733 476 HD2 ARG 86 2HD ARG 86 -6.072 6.517 -7.516 477 HD3 ARG 86 3HD ARG 86 -4.629 6.969 -6.599 478 HH11 ARG 86 2HH1 ARG 86 -7.106 8.107 -8.029 479 HH12 ARG 86 1HH1 ARG 86 -6.965 9.792 -7.601 480 HH21 ARG 86 1HH2 ARG 86 -3.661 10.006 -8.490 481 HH22 ARG 86 2HH2 ARG 86 -5.168 10.904 -8.299 482 H LEU 87 H LEU 87 -5.918 3.090 -4.042 483 HA LEU 87 HA LEU 87 -6.003 0.303 -4.831 484 HG LEU 87 HG LEU 87 -3.999 -0.316 -5.033 485 HB2 LEU 87 2HB LEU 87 -4.197 1.856 -2.985 486 HB3 LEU 87 3HB LEU 87 -4.604 0.204 -2.613 487 HD11 LEU 87 1HD1 LEU 87 -3.090 2.448 -4.942 488 HD12 LEU 87 2HD1 LEU 87 -1.963 1.298 -5.645 489 HD13 LEU 87 3HD1 LEU 87 -3.619 1.367 -6.285 490 HD21 LEU 87 3HD2 LEU 87 -1.684 0.494 -3.259 491 HD22 LEU 87 1HD2 LEU 87 -2.593 -1.022 -3.098 492 HD23 LEU 87 2HD2 LEU 87 -1.675 -0.715 -4.578 493 H ASN 88 H ASN 88 -8.034 2.467 -3.391 494 HA ASN 88 HA ASN 88 -8.669 0.764 -1.160 495 HB2 ASN 88 2HB ASN 88 -8.866 3.226 -1.030 496 HB3 ASN 88 3HB ASN 88 -10.296 3.131 -2.076 497 HD21 ASN 88 1HD2 ASN 88 -11.935 3.572 -0.553 498 HD22 ASN 88 2HD2 ASN 88 -12.146 2.656 0.927 499 H ASN 89 H ASN 89 -9.368 -1.139 -1.551 500 HA ASN 89 HA ASN 89 -10.575 -2.893 -2.032 501 HB2 ASN 89 2HB ASN 89 -12.431 -1.445 -1.065 502 HB3 ASN 89 3HB ASN 89 -13.027 -1.312 -2.731 503 HD21 ASN 89 1HD2 ASN 89 -12.026 -3.634 -0.172 504 HD22 ASN 89 2HD2 ASN 89 -13.115 -4.910 -0.704 505 H ILE 90 H ILE 90 -8.774 -2.484 -3.661 506 HA ILE 90 HA ILE 90 -9.861 -2.915 -6.417 507 HB ILE 90 HB ILE 90 -7.750 -2.308 -7.399 508 HG12 ILE 90 2HG1 ILE 90 -6.121 -1.042 -6.218 509 HG13 ILE 90 3HG1 ILE 90 -6.669 -1.751 -4.672 510 HG21 ILE 90 1HG2 ILE 90 -9.617 -0.629 -6.811 511 HG22 ILE 90 2HG2 ILE 90 -8.611 -0.124 -5.434 512 HG23 ILE 90 3HG2 ILE 90 -8.027 0.057 -7.112 513 HD11 ILE 90 3HD1 ILE 90 -5.463 -3.194 -7.061 514 HD12 ILE 90 1HD1 ILE 90 -4.590 -2.620 -5.636 515 HD13 ILE 90 2HD1 ILE 90 -5.782 -3.910 -5.453 516 H GLU 91 H GLU 91 -9.163 -4.582 -7.603 517 HA GLU 91 HA GLU 91 -8.403 -6.976 -6.214 518 HB2 GLU 91 2HB GLU 91 -9.875 -6.900 -8.192 519 HB3 GLU 91 3HB GLU 91 -8.486 -6.308 -9.084 520 HG2 GLU 91 2HG GLU 91 -7.497 -8.628 -7.991 521 HG3 GLU 91 3HG GLU 91 -9.174 -9.063 -8.246 522 H PHE 92 H PHE 92 -6.521 -7.291 -5.454 523 HA PHE 92 HA PHE 92 -4.007 -6.093 -6.260 524 HD1 PHE 92 HD1 PHE 92 -1.790 -7.824 -6.046 525 HD2 PHE 92 HD2 PHE 92 -3.282 -7.359 -2.018 526 HE1 PHE 92 HE1 PHE 92 0.487 -8.044 -5.174 527 HE2 PHE 92 HE2 PHE 92 -0.963 -7.452 -1.175 528 HZ PHE 92 HZ PHE 92 0.921 -7.671 -2.808 529 HB2 PHE 92 2HB PHE 92 -4.685 -6.699 -3.902 530 HB3 PHE 92 3HB PHE 92 -4.684 -8.352 -4.327 531 H ARG 93 H ARG 93 -4.391 -6.933 -8.493 532 HA ARG 93 HA ARG 93 -4.023 -8.207 -10.235 533 HE ARG 93 HE ARG 93 0.668 -8.075 -11.750 534 HB2 ARG 93 2HB ARG 93 -1.714 -7.908 -9.122 535 HB3 ARG 93 3HB ARG 93 -1.841 -9.607 -8.677 536 HG2 ARG 93 2HG ARG 93 -2.259 -9.950 -11.300 537 HG3 ARG 93 3HG ARG 93 -1.660 -8.317 -11.454 538 HD2 ARG 93 2HD ARG 93 -0.048 -10.320 -9.857 539 HD3 ARG 93 3HD ARG 93 -0.118 -10.505 -11.605 540 HH11 ARG 93 1HH2 ARG 93 1.790 -10.087 -9.034 541 HH12 ARG 93 2HH2 ARG 93 3.351 -9.256 -9.106 542 HH21 ARG 93 1HH1 ARG 93 2.602 -7.271 -11.715 543 HH22 ARG 93 2HH1 ARG 93 3.794 -7.807 -10.485 544 H GLY 94 H GLY 94 -5.733 -9.598 -7.973 545 HA2 GLY 94 2HA GLY 94 -6.742 -11.935 -8.926 546 HA3 GLY 94 3HA GLY 94 -5.193 -12.470 -8.268 547 H SER 95 H SER 95 -5.252 -10.499 -5.968 548 HA SER 95 HA SER 95 -7.391 -11.690 -4.256 549 HG SER 95 HG SER 95 -4.164 -12.205 -2.761 550 HB2 SER 95 2HB SER 95 -4.777 -10.243 -3.574 551 HB3 SER 95 3HB SER 95 -5.996 -10.792 -2.412 552 H VAL 96 H VAL 96 -7.445 -9.404 -2.512 553 HA VAL 96 HA VAL 96 -7.608 -7.000 -4.115 554 HB VAL 96 HB VAL 96 -9.647 -6.743 -4.593 555 HG11 VAL 96 1HG1 VAL 96 -10.043 -8.998 -4.889 556 HG12 VAL 96 2HG1 VAL 96 -10.417 -9.240 -3.145 557 HG13 VAL 96 3HG1 VAL 96 -11.477 -8.266 -4.203 558 HG21 VAL 96 3HG2 VAL 96 -11.438 -6.247 -3.155 559 HG22 VAL 96 1HG2 VAL 96 -10.523 -6.827 -1.745 560 HG23 VAL 96 2HG2 VAL 96 -9.979 -5.403 -2.688 561 H ILE 97 H ILE 97 -7.613 -5.080 -2.841 562 HA ILE 97 HA ILE 97 -7.159 -5.348 0.088 563 HB ILE 97 HB ILE 97 -5.400 -3.469 -0.299 564 HG12 ILE 97 2HG1 ILE 97 -5.260 -4.827 -3.003 565 HG13 ILE 97 3HG1 ILE 97 -5.747 -3.164 -2.690 566 HG21 ILE 97 1HG2 ILE 97 -3.615 -5.113 -0.234 567 HG22 ILE 97 2HG2 ILE 97 -4.966 -5.617 0.750 568 HG23 ILE 97 3HG2 ILE 97 -4.749 -6.381 -0.836 569 HD11 ILE 97 3HD1 ILE 97 -3.486 -3.168 -3.477 570 HD12 ILE 97 1HD1 ILE 97 -3.470 -2.719 -1.758 571 HD13 ILE 97 2HD1 ILE 97 -2.978 -4.356 -2.273 572 H THR 98 H THR 98 -7.839 -3.760 1.281 573 HA THR 98 HA THR 98 -9.208 -1.293 0.232 574 HB THR 98 HB THR 98 -9.457 -2.780 2.848 575 HG1 THR 98 1HG THR 98 -11.467 -3.432 2.087 576 HG21 THR 98 1HG2 THR 98 -11.289 -0.614 1.769 577 HG22 THR 98 2HG2 THR 98 -11.350 -1.391 3.363 578 HG23 THR 98 3HG2 THR 98 -10.006 -0.306 2.966 579 H VAL 99 H VAL 99 -8.387 0.631 1.054 580 HA VAL 99 HA VAL 99 -5.993 0.447 2.795 581 HB VAL 99 HB VAL 99 -4.558 1.616 1.348 582 HG11 VAL 99 1HG1 VAL 99 -4.191 -0.002 -0.388 583 HG12 VAL 99 2HG1 VAL 99 -4.832 -0.876 0.997 584 HG13 VAL 99 3HG1 VAL 99 -5.881 -0.535 -0.359 585 HG21 VAL 99 3HG2 VAL 99 -5.978 3.118 0.198 586 HG22 VAL 99 1HG2 VAL 99 -5.287 2.050 -1.017 587 HG23 VAL 99 2HG2 VAL 99 -6.955 1.792 -0.452 588 H GLU 100 H GLU 100 -5.460 2.160 3.915 589 HA GLU 100 HA GLU 100 -6.861 4.755 3.611 590 HB2 GLU 100 2HB GLU 100 -8.034 4.620 5.766 591 HB3 GLU 100 3HB GLU 100 -8.696 3.487 4.624 592 HG2 GLU 100 2HG GLU 100 -6.697 2.659 6.773 593 HG3 GLU 100 3HG GLU 100 -8.417 2.786 7.077 594 H ARG 101 H ARG 101 -6.301 6.310 4.985 595 HA ARG 101 HA ARG 101 -3.703 6.581 6.091 596 HE ARG 101 HE ARG 101 -6.896 10.042 8.540 597 HB2 ARG 101 2HB ARG 101 -4.643 8.592 7.090 598 HB3 ARG 101 3HB ARG 101 -5.124 8.433 5.415 599 HG2 ARG 101 2HG ARG 101 -7.324 7.402 6.269 600 HG3 ARG 101 3HG ARG 101 -6.817 7.899 7.878 601 HD2 ARG 101 2HD ARG 101 -6.711 10.051 5.803 602 HD3 ARG 101 3HD ARG 101 -8.310 9.356 6.064 603 HH11 ARG 101 1HH1 ARG 101 -9.263 11.196 6.198 604 HH12 ARG 101 2HH1 ARG 101 -9.910 12.368 7.315 605 HH21 ARG 101 2HH2 ARG 101 -7.638 11.629 9.816 606 HH22 ARG 101 1HH2 ARG 101 -9.023 12.600 9.335 607 H ASP 102 H ASP 102 -2.815 6.056 7.896 608 HA ASP 102 HA ASP 102 -4.405 4.972 10.171 609 HB2 ASP 102 2HB ASP 102 -3.177 3.361 8.503 610 HB3 ASP 102 3HB ASP 102 -1.728 3.826 9.370 611 H ASP 103 H ASP 103 -1.627 7.000 9.281 612 HA ASP 103 HA ASP 103 -0.971 7.545 12.128 613 HB2 ASP 103 2HB ASP 103 0.764 8.924 11.315 614 HB3 ASP 103 3HB ASP 103 0.777 7.518 10.275 615 H ASN 104 H ASN 104 -3.298 8.644 9.900 616 HA ASN 104 HA ASN 104 -3.653 11.296 11.215 617 HB2 ASN 104 2HB ASN 104 -2.281 11.144 8.946 618 HB3 ASN 104 3HB ASN 104 -3.862 10.937 8.211 619 HD21 ASN 104 1HD2 ASN 104 -5.290 12.810 9.949 620 HD22 ASN 104 2HD2 ASN 104 -4.686 14.412 9.499 Start of MODEL 20 1 HA PRO 25 HA PRO 25 6.827 18.022 11.537 2 HB2 PRO 25 2HB PRO 25 9.326 17.562 10.055 3 HB3 PRO 25 3HB PRO 25 9.111 18.187 11.701 4 HG2 PRO 25 2HG PRO 25 10.178 15.670 11.185 5 HG3 PRO 25 3HG PRO 25 9.241 16.051 12.667 6 HD2 PRO 25 2HD PRO 25 8.226 14.844 10.069 7 HD3 PRO 25 3HD PRO 25 7.996 14.218 11.724 8 H ALA 26 H ALA 26 8.173 16.592 8.541 9 HA ALA 26 HA ALA 26 6.090 17.907 6.880 10 HB1 ALA 26 1HB ALA 26 8.356 17.542 5.951 11 HB2 ALA 26 2HB ALA 26 8.234 15.802 6.315 12 HB3 ALA 26 3HB ALA 26 7.162 16.519 5.089 13 H LYS 27 H LYS 27 5.332 15.672 5.302 14 HA LYS 27 HA LYS 27 3.706 14.105 7.156 15 HB2 LYS 27 2HB LYS 27 4.039 14.294 4.199 16 HB3 LYS 27 3HB LYS 27 3.604 12.685 4.773 17 HG2 LYS 27 2HG LYS 27 2.130 15.249 5.465 18 HG3 LYS 27 3HG LYS 27 1.677 14.061 4.241 19 HD2 LYS 27 2HD LYS 27 1.661 12.328 6.187 20 HD3 LYS 27 3HD LYS 27 1.658 13.712 7.273 21 HE2 LYS 27 2HE LYS 27 -0.407 13.080 5.155 22 HE3 LYS 27 3HE LYS 27 -0.602 12.890 6.890 23 HZ1 LYS 27 3HZ LYS 27 -1.569 14.988 5.984 24 HZ2 LYS 27 1HZ LYS 27 -0.469 15.292 7.155 25 HZ3 LYS 27 2HZ LYS 27 -0.125 15.520 5.559 26 H ARG 28 H ARG 28 3.704 11.938 7.362 27 HA ARG 28 HA ARG 28 5.797 10.170 6.678 28 HE ARG 28 HE ARG 28 5.390 10.338 11.792 29 HB2 ARG 28 2HB ARG 28 6.500 9.807 9.248 30 HB3 ARG 28 3HB ARG 28 7.269 11.025 8.272 31 HG2 ARG 28 2HG ARG 28 6.725 11.798 10.498 32 HG3 ARG 28 3HG ARG 28 6.054 12.818 9.266 33 HD2 ARG 28 2HD ARG 28 4.493 12.702 11.021 34 HD3 ARG 28 3HD ARG 28 3.798 11.745 9.705 35 HH11 ARG 28 2HH2 ARG 28 2.040 10.737 10.485 36 HH12 ARG 28 1HH2 ARG 28 1.533 9.520 11.641 37 HH21 ARG 28 2HH1 ARG 28 4.447 8.740 13.006 38 HH22 ARG 28 1HH1 ARG 28 2.715 8.460 12.820 39 H TYR 29 H TYR 29 3.265 10.259 6.394 40 HA TYR 29 HA TYR 29 1.472 8.845 8.044 41 HD1 TYR 29 HD2 TYR 29 0.586 6.621 4.925 42 HD2 TYR 29 HD1 TYR 29 2.406 10.405 3.853 43 HE1 TYR 29 HE2 TYR 29 1.360 5.641 2.790 44 HE2 TYR 29 HE1 TYR 29 2.934 9.517 1.695 45 HH TYR 29 HH TYR 29 2.941 7.558 0.296 46 HB2 TYR 29 2HB TYR 29 0.082 8.704 6.117 47 HB3 TYR 29 3HB TYR 29 0.992 10.172 5.898 48 H ARG 30 H ARG 30 0.490 6.748 7.613 49 HA ARG 30 HA ARG 30 2.172 4.662 6.367 50 HE ARG 30 HE ARG 30 3.601 0.178 7.534 51 HB2 ARG 30 2HB ARG 30 2.689 4.653 8.812 52 HB3 ARG 30 3HB ARG 30 0.981 4.496 9.145 53 HG2 ARG 30 2HG ARG 30 2.030 2.372 9.449 54 HG3 ARG 30 3HG ARG 30 0.976 2.245 8.041 55 HD2 ARG 30 2HD ARG 30 2.695 2.038 6.561 56 HD3 ARG 30 3HD ARG 30 3.811 3.036 7.495 57 HH11 ARG 30 2HH1 ARG 30 4.574 2.867 9.580 58 HH12 ARG 30 1HH1 ARG 30 5.464 1.828 10.655 59 HH21 ARG 30 2HH2 ARG 30 4.600 -1.072 9.018 60 HH22 ARG 30 1HH2 ARG 30 5.502 -0.348 10.334 61 H ILE 31 H ILE 31 0.782 3.718 4.847 62 HA ILE 31 HA ILE 31 -2.158 3.717 5.454 63 HB ILE 31 HB ILE 31 -2.542 2.866 3.190 64 HG12 ILE 31 2HG1 ILE 31 0.355 3.539 2.615 65 HG13 ILE 31 3HG1 ILE 31 -0.246 1.883 2.849 66 HG21 ILE 31 1HG2 ILE 31 -2.279 4.989 2.065 67 HG22 ILE 31 2HG2 ILE 31 -2.723 5.242 3.758 68 HG23 ILE 31 3HG2 ILE 31 -1.040 5.497 3.235 69 HD11 ILE 31 3HD1 ILE 31 -1.877 2.278 0.981 70 HD12 ILE 31 1HD1 ILE 31 -0.997 3.788 0.632 71 HD13 ILE 31 2HD1 ILE 31 -0.157 2.231 0.513 72 H THR 32 H THR 32 -3.331 1.921 5.210 73 HA THR 32 HA THR 32 -2.228 -0.825 5.778 74 HB THR 32 HB THR 32 -5.046 0.203 5.874 75 HG1 THR 32 1HG THR 32 -3.616 0.170 8.251 76 HG21 THR 32 1HG2 THR 32 -3.666 -2.090 7.323 77 HG22 THR 32 2HG2 THR 32 -5.362 -1.618 7.586 78 HG23 THR 32 3HG2 THR 32 -4.845 -2.209 6.004 79 H MET 33 H MET 33 -2.470 -2.295 4.311 80 HA MET 33 HA MET 33 -4.494 -1.993 2.207 81 HB2 MET 33 2HB MET 33 -1.704 -3.017 1.542 82 HB3 MET 33 3HB MET 33 -3.047 -2.653 0.467 83 HG2 MET 33 2HG MET 33 -2.632 -0.211 1.664 84 HG3 MET 33 3HG MET 33 -1.029 -0.884 1.693 85 HE1 MET 33 3HE MET 33 -0.116 -1.972 -0.714 86 HE2 MET 33 1HE MET 33 -1.713 -2.490 -1.344 87 HE3 MET 33 2HE MET 33 -0.670 -1.411 -2.307 88 H LYS 34 H LYS 34 -5.831 -3.431 2.613 89 HA LYS 34 HA LYS 34 -5.276 -6.194 3.653 90 HB2 LYS 34 2HB LYS 34 -5.081 -4.382 5.387 91 HB3 LYS 34 3HB LYS 34 -6.528 -3.617 4.693 92 HG2 LYS 34 2HG LYS 34 -6.980 -6.199 5.913 93 HG3 LYS 34 3HG LYS 34 -6.521 -4.805 6.952 94 HD2 LYS 34 2HD LYS 34 -8.708 -4.456 4.882 95 HD3 LYS 34 3HD LYS 34 -9.118 -5.199 6.382 96 HE2 LYS 34 2HE LYS 34 -8.906 -3.206 7.552 97 HE3 LYS 34 3HE LYS 34 -7.483 -2.696 6.632 98 HZ1 LYS 34 3HZ LYS 34 -10.197 -2.610 5.451 99 HZ2 LYS 34 1HZ LYS 34 -9.504 -1.324 6.198 100 HZ3 LYS 34 2HZ LYS 34 -8.805 -1.893 4.899 101 H ASN 35 H ASN 35 -7.384 -7.466 3.597 102 HA ASN 35 HA ASN 35 -9.727 -5.820 3.569 103 HB2 ASN 35 2HB ASN 35 -9.922 -5.536 1.353 104 HB3 ASN 35 3HB ASN 35 -8.765 -6.778 0.998 105 HD21 ASN 35 2HD2 ASN 35 -9.414 -8.701 0.241 106 HD22 ASN 35 1HD2 ASN 35 -11.111 -9.068 -0.118 107 H LEU 36 H LEU 36 -8.949 -9.211 2.655 108 HA LEU 36 HA LEU 36 -10.643 -10.307 4.821 109 HG LEU 36 HG LEU 36 -12.559 -11.850 4.396 110 HB2 LEU 36 2HB LEU 36 -12.106 -9.862 2.864 111 HB3 LEU 36 3HB LEU 36 -11.117 -10.919 1.866 112 HD11 LEU 36 1HD1 LEU 36 -14.321 -12.705 2.896 113 HD12 LEU 36 2HD1 LEU 36 -14.185 -10.946 2.776 114 HD13 LEU 36 3HD1 LEU 36 -13.499 -11.973 1.494 115 HD21 LEU 36 3HD2 LEU 36 -11.444 -13.386 1.998 116 HD22 LEU 36 1HD2 LEU 36 -10.852 -13.472 3.672 117 HD23 LEU 36 2HD2 LEU 36 -12.448 -14.094 3.283 118 HA PRO 37 HA PRO 37 -6.764 -12.044 5.701 119 HB2 PRO 37 2HB PRO 37 -8.322 -14.627 5.511 120 HB3 PRO 37 3HB PRO 37 -6.911 -14.260 6.565 121 HG2 PRO 37 2HG PRO 37 -9.387 -13.820 7.532 122 HG3 PRO 37 3HG PRO 37 -8.140 -12.548 7.740 123 HD2 PRO 37 2HD PRO 37 -10.421 -12.659 5.785 124 HD3 PRO 37 3HD PRO 37 -9.726 -11.255 6.628 125 H GLU 38 H GLU 38 -6.160 -11.132 3.485 126 HA GLU 38 HA GLU 38 -5.049 -13.338 1.833 127 HB2 GLU 38 2HB GLU 38 -5.141 -12.024 -0.095 128 HB3 GLU 38 3HB GLU 38 -6.729 -11.915 0.635 129 HG2 GLU 38 2HG GLU 38 -4.561 -9.790 0.937 130 HG3 GLU 38 3HG GLU 38 -5.766 -9.774 -0.331 131 H GLY 39 H GLY 39 -4.078 -11.114 3.926 132 HA2 GLY 39 2HA GLY 39 -2.182 -10.671 4.844 133 HA3 GLY 39 3HA GLY 39 -1.653 -12.195 4.208 134 H CYS 40 H CYS 40 -1.657 -11.257 1.464 135 HA CYS 40 HA CYS 40 -0.163 -10.961 -0.060 136 HG CYS 40 HG CYS 40 -2.355 -8.893 1.251 137 HB2 CYS 40 2HB CYS 40 0.230 -8.210 1.184 138 HB3 CYS 40 3HB CYS 40 0.432 -8.685 -0.514 139 H SER 41 H SER 41 2.294 -9.412 -0.141 140 HA SER 41 HA SER 41 4.059 -10.057 2.060 141 HG SER 41 HG SER 41 3.440 -12.421 1.301 142 HB2 SER 41 2HB SER 41 4.486 -11.366 -0.649 143 HB3 SER 41 3HB SER 41 5.794 -11.105 0.519 144 H TRP 42 H TRP 42 6.192 -8.834 1.763 145 HA TRP 42 HA TRP 42 5.542 -6.369 0.620 146 HD1 TRP 42 HD1 TRP 42 10.097 -5.310 1.561 147 HE1 TRP 42 HE1 TRP 42 10.306 -3.004 0.491 148 HE3 TRP 42 HE3 TRP 42 5.178 -4.522 0.221 149 HZ2 TRP 42 HZ2 TRP 42 8.609 -1.157 -0.975 150 HZ3 TRP 42 HZ3 TRP 42 4.558 -2.592 -1.090 151 HH2 TRP 42 HH2 TRP 42 6.195 -0.884 -1.647 152 HB2 TRP 42 2HB TRP 42 7.131 -6.478 2.404 153 HB3 TRP 42 3HB TRP 42 8.295 -7.297 1.398 154 H GLN 43 H GLN 43 7.683 -8.856 -0.803 155 HA GLN 43 HA GLN 43 8.206 -7.362 -3.101 156 HB2 GLN 43 2HB GLN 43 8.582 -9.607 -4.249 157 HB3 GLN 43 3HB GLN 43 9.496 -9.385 -2.763 158 HG2 GLN 43 2HG GLN 43 8.305 -10.991 -1.599 159 HG3 GLN 43 3HG GLN 43 6.808 -10.681 -2.455 160 HE21 GLN 43 1HE2 GLN 43 6.131 -12.437 -3.587 161 HE22 GLN 43 2HE2 GLN 43 7.220 -13.541 -4.439 162 H ASP 44 H ASP 44 5.265 -8.863 -2.318 163 HA ASP 44 HA ASP 44 4.248 -9.008 -5.077 164 HB2 ASP 44 2HB ASP 44 3.283 -9.700 -2.290 165 HB3 ASP 44 3HB ASP 44 2.196 -9.564 -3.615 166 H LEU 45 H LEU 45 3.687 -7.147 -2.078 167 HA LEU 45 HA LEU 45 1.727 -5.403 -3.226 168 HG LEU 45 HG LEU 45 1.387 -6.757 -0.774 169 HB2 LEU 45 2HB LEU 45 3.492 -5.473 -0.776 170 HB3 LEU 45 3HB LEU 45 2.613 -4.007 -1.142 171 HD11 LEU 45 1HD1 LEU 45 2.316 -5.678 1.269 172 HD12 LEU 45 2HD1 LEU 45 1.417 -4.199 0.915 173 HD13 LEU 45 3HD1 LEU 45 0.541 -5.711 1.347 174 HD21 LEU 45 3HD2 LEU 45 0.079 -4.021 -1.063 175 HD22 LEU 45 1HD2 LEU 45 -0.071 -5.306 -2.239 176 HD23 LEU 45 2HD2 LEU 45 -0.794 -5.505 -0.633 177 H LYS 46 H LYS 46 5.238 -5.153 -2.914 178 HA LYS 46 HA LYS 46 5.694 -2.528 -4.153 179 HB2 LYS 46 2HB LYS 46 7.466 -3.831 -3.029 180 HB3 LYS 46 3HB LYS 46 7.191 -5.165 -4.135 181 HG2 LYS 46 2HG LYS 46 7.756 -3.259 -6.002 182 HG3 LYS 46 3HG LYS 46 8.537 -2.517 -4.605 183 HD2 LYS 46 2HD LYS 46 10.190 -3.875 -5.713 184 HD3 LYS 46 3HD LYS 46 9.680 -4.640 -4.204 185 HE2 LYS 46 2HE LYS 46 9.979 -6.330 -5.980 186 HE3 LYS 46 3HE LYS 46 8.321 -6.278 -5.406 187 HZ1 LYS 46 3HZ LYS 46 7.829 -4.861 -7.396 188 HZ2 LYS 46 1HZ LYS 46 9.340 -5.148 -7.949 189 HZ3 LYS 46 2HZ LYS 46 8.263 -6.370 -7.783 190 H ASP 47 H ASP 47 5.522 -5.835 -5.546 191 HA ASP 47 HA ASP 47 5.697 -4.970 -8.184 192 HB2 ASP 47 2HB ASP 47 5.122 -7.445 -6.840 193 HB3 ASP 47 3HB ASP 47 3.786 -7.216 -7.894 194 H LEU 48 H LEU 48 2.580 -5.597 -6.513 195 HA LEU 48 HA LEU 48 1.079 -4.525 -8.632 196 HG LEU 48 HG LEU 48 -1.274 -3.800 -8.193 197 HB2 LEU 48 2HB LEU 48 -0.062 -5.756 -7.019 198 HB3 LEU 48 3HB LEU 48 0.322 -4.630 -5.712 199 HD11 LEU 48 1HD1 LEU 48 -2.541 -5.576 -7.114 200 HD12 LEU 48 2HD1 LEU 48 -2.425 -4.704 -5.536 201 HD13 LEU 48 3HD1 LEU 48 -3.326 -4.037 -6.891 202 HD21 LEU 48 3HD2 LEU 48 -0.708 -1.867 -7.133 203 HD22 LEU 48 1HD2 LEU 48 -2.251 -2.202 -6.417 204 HD23 LEU 48 2HD2 LEU 48 -0.789 -2.603 -5.494 205 H ALA 49 H ALA 49 2.428 -2.776 -5.776 206 HA ALA 49 HA ALA 49 1.322 -0.293 -6.385 207 HB1 ALA 49 1HB ALA 49 3.784 -1.269 -4.958 208 HB2 ALA 49 2HB ALA 49 3.642 0.440 -5.281 209 HB3 ALA 49 3HB ALA 49 2.347 -0.387 -4.357 210 H ARG 50 H ARG 50 4.238 -1.768 -7.812 211 HA ARG 50 HA ARG 50 4.928 0.597 -9.333 212 HE ARG 50 HE ARG 50 7.456 1.429 -7.788 213 HB2 ARG 50 2HB ARG 50 5.882 -2.106 -10.195 214 HB3 ARG 50 3HB ARG 50 6.674 -0.539 -10.287 215 HG2 ARG 50 2HG ARG 50 6.474 -2.482 -8.063 216 HG3 ARG 50 3HG ARG 50 7.860 -1.714 -8.636 217 HD2 ARG 50 2HD ARG 50 5.876 -0.140 -7.017 218 HD3 ARG 50 3HD ARG 50 7.103 -1.105 -6.303 219 HH11 ARG 50 1HH1 ARG 50 9.190 -1.293 -6.417 220 HH12 ARG 50 2HH1 ARG 50 10.721 -0.467 -6.481 221 HH21 ARG 50 1HH2 ARG 50 9.491 2.413 -7.885 222 HH22 ARG 50 2HH2 ARG 50 10.868 1.541 -7.274 223 H GLU 51 H GLU 51 2.912 -2.219 -9.878 224 HA GLU 51 HA GLU 51 2.208 -1.830 -12.641 225 HB2 GLU 51 2HB GLU 51 0.348 -2.849 -10.470 226 HB3 GLU 51 3HB GLU 51 0.030 -2.886 -12.107 227 HG2 GLU 51 2HG GLU 51 2.467 -4.171 -10.841 228 HG3 GLU 51 3HG GLU 51 1.003 -5.021 -10.849 229 H ASN 52 H ASN 52 1.100 -0.371 -9.744 230 HA ASN 52 HA ASN 52 -1.233 0.847 -11.016 231 HB2 ASN 52 2HB ASN 52 -0.243 -0.046 -8.360 232 HB3 ASN 52 3HB ASN 52 -1.153 1.352 -8.259 233 HD21 ASN 52 2HD2 ASN 52 -1.147 -1.943 -9.441 234 HD22 ASN 52 1HD2 ASN 52 -2.894 -2.152 -9.371 235 H SER 53 H SER 53 1.285 2.222 -8.880 236 HA SER 53 HA SER 53 1.927 4.546 -10.235 237 HG SER 53 HG SER 53 -1.086 5.904 -7.897 238 HB2 SER 53 2HB SER 53 0.619 6.310 -9.123 239 HB3 SER 53 3HB SER 53 -0.430 5.321 -10.113 240 H LEU 54 H LEU 54 2.094 2.644 -7.507 241 HA LEU 54 HA LEU 54 2.908 4.783 -5.617 242 HG LEU 54 HG LEU 54 0.389 3.249 -4.547 243 HB2 LEU 54 2HB LEU 54 2.174 1.930 -5.392 244 HB3 LEU 54 3HB LEU 54 3.309 2.514 -4.205 245 HD11 LEU 54 1HD1 LEU 54 0.952 1.228 -3.228 246 HD12 LEU 54 2HD1 LEU 54 2.100 2.156 -2.239 247 HD13 LEU 54 3HD1 LEU 54 0.377 2.494 -2.142 248 HD21 LEU 54 3HD2 LEU 54 0.922 4.783 -2.510 249 HD22 LEU 54 1HD2 LEU 54 2.597 4.674 -3.063 250 HD23 LEU 54 2HD2 LEU 54 1.350 5.376 -4.118 251 H GLU 55 H GLU 55 4.681 4.710 -4.590 252 HA GLU 55 HA GLU 55 7.108 3.286 -5.170 253 HB2 GLU 55 2HB GLU 55 6.816 4.686 -7.213 254 HB3 GLU 55 3HB GLU 55 6.912 6.149 -6.239 255 HG2 GLU 55 2HG GLU 55 9.154 5.807 -5.704 256 HG3 GLU 55 3HG GLU 55 9.070 4.066 -5.900 257 H THR 56 H THR 56 6.054 3.364 -2.908 258 HA THR 56 HA THR 56 6.489 5.699 -1.254 259 HB THR 56 HB THR 56 5.599 4.426 0.505 260 HG1 THR 56 1HG THR 56 5.675 2.236 0.595 261 HG21 THR 56 1HG2 THR 56 3.923 4.785 -1.235 262 HG22 THR 56 2HG2 THR 56 4.266 3.169 -1.897 263 HG23 THR 56 3HG2 THR 56 3.590 3.364 -0.279 264 H THR 57 H THR 57 7.708 4.967 1.053 265 HA THR 57 HA THR 57 10.540 4.612 0.464 266 HB THR 57 HB THR 57 9.147 4.272 3.147 267 HG1 THR 57 1HG THR 57 9.127 6.397 3.386 268 HG21 THR 57 1HG2 THR 57 11.226 5.208 4.067 269 HG22 THR 57 2HG2 THR 57 11.522 3.703 3.188 270 HG23 THR 57 3HG2 THR 57 11.932 5.266 2.435 271 H PHE 58 H PHE 58 7.915 2.678 1.871 272 HA PHE 58 HA PHE 58 9.077 0.054 1.476 273 HD1 PHE 58 HD2 PHE 58 8.769 2.846 4.946 274 HD2 PHE 58 HD1 PHE 58 9.155 -1.444 5.135 275 HE1 PHE 58 HE2 PHE 58 7.840 2.849 7.260 276 HE2 PHE 58 HE1 PHE 58 8.191 -1.437 7.418 277 HZ PHE 58 HZ PHE 58 7.533 0.714 8.488 278 HB2 PHE 58 2HB PHE 58 10.216 -0.192 3.384 279 HB3 PHE 58 3HB PHE 58 10.307 1.520 3.437 280 H SER 59 H SER 59 7.898 -1.564 2.837 281 HA SER 59 HA SER 59 5.437 -0.674 4.164 282 HG SER 59 HG SER 59 3.375 -3.208 2.566 283 HB2 SER 59 2HB SER 59 4.555 -1.307 2.017 284 HB3 SER 59 3HB SER 59 5.521 -2.764 2.029 285 H SER 60 H SER 60 4.767 -2.011 5.742 286 HA SER 60 HA SER 60 6.549 -4.225 6.653 287 HG SER 60 HG SER 60 3.354 -3.126 7.697 288 HB2 SER 60 2HB SER 60 5.289 -4.017 8.722 289 HB3 SER 60 3HB SER 60 6.037 -2.447 8.209 290 H VAL 61 H VAL 61 5.912 -6.266 6.142 291 HA VAL 61 HA VAL 61 3.037 -6.839 5.854 292 HB VAL 61 HB VAL 61 4.937 -7.945 3.770 293 HG11 VAL 61 1HG1 VAL 61 1.955 -7.287 3.715 294 HG12 VAL 61 2HG1 VAL 61 2.857 -7.874 2.344 295 HG13 VAL 61 3HG1 VAL 61 2.651 -8.915 3.740 296 HG21 VAL 61 3HG2 VAL 61 4.273 -6.137 2.210 297 HG22 VAL 61 1HG2 VAL 61 3.509 -5.281 3.541 298 HG23 VAL 61 2HG2 VAL 61 5.268 -5.526 3.521 299 H ASN 62 H ASN 62 2.691 -9.280 5.484 300 HA ASN 62 HA ASN 62 2.775 -11.421 6.090 301 HB2 ASN 62 2HB ASN 62 5.757 -10.862 6.083 302 HB3 ASN 62 3HB ASN 62 5.134 -12.418 6.600 303 HD21 ASN 62 1HD2 ASN 62 6.260 -10.780 3.862 304 HD22 ASN 62 2HD2 ASN 62 5.448 -11.861 2.716 305 H THR 63 H THR 63 3.460 -9.108 8.432 306 HA THR 63 HA THR 63 2.049 -10.678 10.399 307 HB THR 63 HB THR 63 4.356 -11.501 10.803 308 HG1 THR 63 1HG THR 63 4.279 -11.132 12.993 309 HG21 THR 63 1HG2 THR 63 5.030 -8.649 11.646 310 HG22 THR 63 2HG2 THR 63 6.061 -10.086 11.794 311 HG23 THR 63 3HG2 THR 63 5.653 -9.459 10.189 312 H ARG 64 H ARG 64 1.528 -9.393 12.241 313 HA ARG 64 HA ARG 64 1.611 -7.401 13.569 314 HE ARG 64 HE ARG 64 -0.540 -4.358 8.778 315 HB2 ARG 64 2HB ARG 64 1.518 -5.193 12.791 316 HB3 ARG 64 3HB ARG 64 2.687 -5.943 11.734 317 HG2 ARG 64 2HG ARG 64 0.622 -6.329 10.117 318 HG3 ARG 64 3HG ARG 64 -0.235 -5.260 11.226 319 HD2 ARG 64 2HD ARG 64 1.645 -3.555 10.695 320 HD3 ARG 64 3HD ARG 64 1.933 -4.583 9.274 321 HH11 ARG 64 2HH2 ARG 64 0.998 -1.661 10.400 322 HH12 ARG 64 1HH2 ARG 64 -0.491 -0.735 10.458 323 HH21 ARG 64 2HH1 ARG 64 -2.449 -3.269 9.308 324 HH22 ARG 64 1HH1 ARG 64 -2.310 -1.549 9.669 325 H ASP 65 H ASP 65 -0.613 -8.529 11.220 326 HA ASP 65 HA ASP 65 -2.918 -7.107 12.506 327 HB2 ASP 65 2HB ASP 65 -1.723 -6.624 10.069 328 HB3 ASP 65 3HB ASP 65 -2.946 -7.768 9.607 329 H PHE 66 H PHE 66 -4.947 -7.953 11.073 330 HA PHE 66 HA PHE 66 -6.100 -10.142 12.176 331 HD1 PHE 66 HD2 PHE 66 -4.685 -8.949 8.757 332 HD2 PHE 66 HD1 PHE 66 -8.972 -9.235 8.587 333 HE1 PHE 66 HE2 PHE 66 -4.559 -9.227 6.319 334 HE2 PHE 66 HE1 PHE 66 -8.834 -9.310 6.112 335 HZ PHE 66 HZ PHE 66 -6.584 -9.573 5.000 336 HB2 PHE 66 2HB PHE 66 -7.818 -9.796 10.658 337 HB3 PHE 66 3HB PHE 66 -7.044 -8.230 10.783 338 H ASP 67 H ASP 67 -3.787 -10.427 9.654 339 HA ASP 67 HA ASP 67 -3.463 -13.210 9.919 340 HB2 ASP 67 2HB ASP 67 -4.550 -14.188 8.247 341 HB3 ASP 67 3HB ASP 67 -5.512 -12.735 8.093 342 H GLY 68 H GLY 68 -2.946 -10.393 7.782 343 HA2 GLY 68 2HA GLY 68 -0.120 -10.339 8.489 344 HA3 GLY 68 3HA GLY 68 -0.395 -10.713 6.781 345 H THR 69 H THR 69 -1.999 -9.128 5.702 346 HA THR 69 HA THR 69 -2.295 -7.167 4.699 347 HB THR 69 HB THR 69 -2.810 -5.150 5.708 348 HG1 THR 69 1HG THR 69 -2.558 -5.206 8.183 349 HG21 THR 69 1HG2 THR 69 -4.497 -6.818 6.068 350 HG22 THR 69 2HG2 THR 69 -3.740 -7.266 7.609 351 HG23 THR 69 3HG2 THR 69 -4.444 -5.657 7.401 352 H GLY 70 H GLY 70 -1.337 -5.186 3.993 353 HA2 GLY 70 2HA GLY 70 1.605 -4.991 4.550 354 HA3 GLY 70 3HA GLY 70 0.831 -4.416 3.073 355 H ALA 71 H ALA 71 2.356 -2.930 5.120 356 HA ALA 71 HA ALA 71 0.402 -0.757 4.987 357 HB1 ALA 71 1HB ALA 71 0.013 -1.521 7.229 358 HB2 ALA 71 2HB ALA 71 1.747 -1.553 7.605 359 HB3 ALA 71 3HB ALA 71 0.919 -0.009 7.351 360 H LEU 72 H LEU 72 1.290 0.848 3.941 361 HA LEU 72 HA LEU 72 4.206 0.735 3.399 362 HG LEU 72 HG LEU 72 2.049 1.064 0.118 363 HB2 LEU 72 2HB LEU 72 1.934 2.217 2.066 364 HB3 LEU 72 3HB LEU 72 3.538 2.351 1.614 365 HD11 LEU 72 1HD1 LEU 72 4.828 0.360 0.894 366 HD12 LEU 72 2HD1 LEU 72 3.936 -0.740 -0.182 367 HD13 LEU 72 3HD1 LEU 72 4.142 0.945 -0.616 368 HD21 LEU 72 3HD2 LEU 72 2.389 -1.167 2.106 369 HD22 LEU 72 1HD2 LEU 72 0.917 -0.295 1.728 370 HD23 LEU 72 2HD2 LEU 72 1.698 -1.291 0.478 371 H GLU 73 H GLU 73 5.392 2.736 3.394 372 HA GLU 73 HA GLU 73 4.106 5.138 4.785 373 HB2 GLU 73 2HB GLU 73 5.407 3.954 6.403 374 HB3 GLU 73 3HB GLU 73 6.768 3.824 5.316 375 HG2 GLU 73 2HG GLU 73 5.976 6.625 5.971 376 HG3 GLU 73 3HG GLU 73 6.510 5.656 7.325 377 H PHE 74 H PHE 74 4.729 7.209 4.132 378 HA PHE 74 HA PHE 74 7.172 7.522 2.595 379 HD1 PHE 74 HD2 PHE 74 7.750 6.895 0.535 380 HD2 PHE 74 HD1 PHE 74 5.637 10.551 -0.099 381 HE1 PHE 74 HE2 PHE 74 9.507 7.598 -1.070 382 HE2 PHE 74 HE1 PHE 74 7.421 11.324 -1.634 383 HZ PHE 74 HZ PHE 74 9.353 9.841 -2.146 384 HB2 PHE 74 2HB PHE 74 4.868 7.424 1.004 385 HB3 PHE 74 3HB PHE 74 4.898 9.077 1.486 386 HA PRO 75 HA PRO 75 7.196 11.501 4.698 387 HB2 PRO 75 2HB PRO 75 8.771 12.450 2.310 388 HB3 PRO 75 3HB PRO 75 9.107 12.693 4.054 389 HG2 PRO 75 2HG PRO 75 10.461 10.810 2.673 390 HG3 PRO 75 3HG PRO 75 9.806 10.411 4.303 391 HD2 PRO 75 2HD PRO 75 8.598 9.817 1.589 392 HD3 PRO 75 3HD PRO 75 8.844 8.713 2.978 393 H SER 76 H SER 76 5.447 11.135 1.738 394 HA SER 76 HA SER 76 4.395 13.955 1.815 395 HG SER 76 HG SER 76 7.001 13.829 -0.762 396 HB2 SER 76 2HB SER 76 4.986 12.544 -0.715 397 HB3 SER 76 3HB SER 76 4.841 14.272 -0.401 398 H GLU 77 H GLU 77 2.305 13.899 2.089 399 HA GLU 77 HA GLU 77 0.740 11.587 1.888 400 HB2 GLU 77 2HB GLU 77 -1.248 13.062 2.122 401 HB3 GLU 77 3HB GLU 77 -0.001 13.266 3.313 402 HG2 GLU 77 2HG GLU 77 0.811 15.259 1.773 403 HG3 GLU 77 3HG GLU 77 -0.807 15.129 1.069 404 H GLU 78 H GLU 78 1.634 13.700 -0.704 405 HA GLU 78 HA GLU 78 -0.388 13.224 -2.615 406 HB2 GLU 78 2HB GLU 78 2.609 13.118 -3.148 407 HB3 GLU 78 3HB GLU 78 1.321 13.496 -4.284 408 HG2 GLU 78 2HG GLU 78 1.840 15.654 -3.822 409 HG3 GLU 78 3HG GLU 78 0.828 15.408 -2.391 410 H ILE 79 H ILE 79 2.198 11.014 -1.589 411 HA ILE 79 HA ILE 79 1.489 8.908 -3.463 412 HB ILE 79 HB ILE 79 3.216 8.848 -0.954 413 HG12 ILE 79 2HG1 ILE 79 3.699 10.024 -3.594 414 HG13 ILE 79 3HG1 ILE 79 4.399 10.396 -2.079 415 HG21 ILE 79 1HG2 ILE 79 4.285 6.884 -1.919 416 HG22 ILE 79 2HG2 ILE 79 2.559 6.606 -1.767 417 HG23 ILE 79 3HG2 ILE 79 3.242 6.993 -3.364 418 HD11 ILE 79 3HD1 ILE 79 5.193 8.207 -4.065 419 HD12 ILE 79 1HD1 ILE 79 6.106 9.657 -3.644 420 HD13 ILE 79 2HD1 ILE 79 5.931 8.344 -2.464 421 H LEU 80 H LEU 80 0.776 9.575 -0.057 422 HA LEU 80 HA LEU 80 -0.538 7.193 0.659 423 HG LEU 80 HG LEU 80 -2.918 9.662 1.875 424 HB2 LEU 80 2HB LEU 80 -0.112 8.564 2.428 425 HB3 LEU 80 3HB LEU 80 -0.476 10.019 1.581 426 HD11 LEU 80 1HD1 LEU 80 -3.680 8.124 3.596 427 HD12 LEU 80 2HD1 LEU 80 -2.896 7.229 2.282 428 HD13 LEU 80 3HD1 LEU 80 -2.031 7.519 3.824 429 HD21 LEU 80 3HD2 LEU 80 -2.947 10.278 4.235 430 HD22 LEU 80 1HD2 LEU 80 -1.266 9.739 4.413 431 HD23 LEU 80 2HD2 LEU 80 -1.654 11.129 3.380 432 H VAL 81 H VAL 81 -1.770 10.253 -0.667 433 HA VAL 81 HA VAL 81 -4.571 9.504 -0.724 434 HB VAL 81 HB VAL 81 -2.975 11.823 -1.922 435 HG11 VAL 81 1HG1 VAL 81 -6.008 11.496 -1.871 436 HG12 VAL 81 2HG1 VAL 81 -5.151 13.007 -2.246 437 HG13 VAL 81 3HG1 VAL 81 -4.978 11.616 -3.314 438 HG21 VAL 81 3HG2 VAL 81 -4.954 11.738 0.396 439 HG22 VAL 81 1HG2 VAL 81 -3.189 11.778 0.562 440 HG23 VAL 81 2HG2 VAL 81 -4.025 13.156 -0.156 441 H GLU 82 H GLU 82 -1.944 9.527 -3.099 442 HA GLU 82 HA GLU 82 -3.342 8.764 -5.364 443 HB2 GLU 82 2HB GLU 82 -0.666 8.635 -4.107 444 HB3 GLU 82 3HB GLU 82 -0.952 7.271 -5.016 445 HG2 GLU 82 2HG GLU 82 -1.150 10.168 -5.860 446 HG3 GLU 82 3HG GLU 82 0.208 9.100 -6.226 447 H ALA 83 H ALA 83 -1.688 6.442 -3.097 448 HA ALA 83 HA ALA 83 -3.077 4.148 -4.081 449 HB1 ALA 83 1HB ALA 83 -2.423 3.052 -1.999 450 HB2 ALA 83 2HB ALA 83 -1.132 4.007 -2.744 451 HB3 ALA 83 3HB ALA 83 -1.977 4.641 -1.307 452 H LEU 84 H LEU 84 -4.255 6.397 -1.635 453 HA LEU 84 HA LEU 84 -6.561 4.801 -0.763 454 HG LEU 84 HG LEU 84 -4.755 7.505 0.928 455 HB2 LEU 84 2HB LEU 84 -6.298 7.833 -0.686 456 HB3 LEU 84 3HB LEU 84 -7.523 6.892 0.054 457 HD11 LEU 84 1HD1 LEU 84 -5.870 7.673 3.074 458 HD12 LEU 84 2HD1 LEU 84 -6.722 8.600 1.827 459 HD13 LEU 84 3HD1 LEU 84 -7.369 7.029 2.368 460 HD21 LEU 84 3HD2 LEU 84 -4.496 5.143 0.875 461 HD22 LEU 84 1HD2 LEU 84 -4.889 5.584 2.561 462 HD23 LEU 84 2HD2 LEU 84 -6.147 4.894 1.448 463 H GLU 85 H GLU 85 -6.019 7.032 -3.438 464 HA GLU 85 HA GLU 85 -8.813 6.634 -4.236 465 HB2 GLU 85 2HB GLU 85 -6.557 8.340 -5.376 466 HB3 GLU 85 3HB GLU 85 -8.176 8.262 -6.083 467 HG2 GLU 85 2HG GLU 85 -9.177 9.180 -4.070 468 HG3 GLU 85 3HG GLU 85 -7.616 9.219 -3.255 469 H ARG 86 H ARG 86 -5.813 5.020 -4.860 470 HA ARG 86 HA ARG 86 -6.520 4.330 -7.677 471 HE ARG 86 HE ARG 86 -3.556 8.133 -8.843 472 HB2 ARG 86 2HB ARG 86 -4.021 4.948 -6.139 473 HB3 ARG 86 3HB ARG 86 -3.848 3.682 -7.146 474 HG2 ARG 86 2HG ARG 86 -3.186 5.620 -8.346 475 HG3 ARG 86 3HG ARG 86 -4.717 5.143 -9.104 476 HD2 ARG 86 2HD ARG 86 -5.970 6.746 -7.759 477 HD3 ARG 86 3HD ARG 86 -4.521 7.123 -6.809 478 HH11 ARG 86 2HH2 ARG 86 -6.974 8.395 -8.138 479 HH12 ARG 86 1HH2 ARG 86 -6.806 10.050 -7.617 480 HH21 ARG 86 1HH1 ARG 86 -3.508 10.269 -8.530 481 HH22 ARG 86 2HH1 ARG 86 -5.000 11.177 -8.269 482 H LEU 87 H LEU 87 -5.751 2.921 -4.528 483 HA LEU 87 HA LEU 87 -6.026 0.210 -5.633 484 HG LEU 87 HG LEU 87 -3.718 -0.334 -5.755 485 HB2 LEU 87 2HB LEU 87 -4.286 1.412 -3.442 486 HB3 LEU 87 3HB LEU 87 -4.679 -0.247 -3.499 487 HD11 LEU 87 1HD1 LEU 87 -2.002 1.464 -6.278 488 HD12 LEU 87 2HD1 LEU 87 -3.698 1.508 -6.788 489 HD13 LEU 87 3HD1 LEU 87 -3.134 2.482 -5.376 490 HD21 LEU 87 3HD2 LEU 87 -1.847 0.617 -3.558 491 HD22 LEU 87 1HD2 LEU 87 -2.395 -1.061 -3.824 492 HD23 LEU 87 2HD2 LEU 87 -1.340 -0.284 -5.008 493 H ASN 88 H ASN 88 -7.983 2.362 -3.971 494 HA ASN 88 HA ASN 88 -8.578 0.654 -1.754 495 HB2 ASN 88 2HB ASN 88 -8.947 3.079 -1.677 496 HB3 ASN 88 3HB ASN 88 -10.336 2.890 -2.768 497 HD21 ASN 88 1HD2 ASN 88 -11.913 3.464 -1.189 498 HD22 ASN 88 2HD2 ASN 88 -12.210 2.492 0.238 499 H ASN 89 H ASN 89 -9.240 -1.254 -1.963 500 HA ASN 89 HA ASN 89 -10.404 -3.078 -2.227 501 HB2 ASN 89 2HB ASN 89 -12.281 -1.537 -1.446 502 HB3 ASN 89 3HB ASN 89 -12.868 -1.587 -3.115 503 HD21 ASN 89 1HD2 ASN 89 -11.815 -3.669 -0.363 504 HD22 ASN 89 2HD2 ASN 89 -12.939 -4.968 -0.732 505 H ILE 90 H ILE 90 -8.699 -2.228 -4.224 506 HA ILE 90 HA ILE 90 -9.834 -3.131 -6.801 507 HB ILE 90 HB ILE 90 -7.598 -2.694 -7.753 508 HG12 ILE 90 2HG1 ILE 90 -6.425 -1.894 -5.136 509 HG13 ILE 90 3HG1 ILE 90 -6.318 -3.536 -5.685 510 HG21 ILE 90 1HG2 ILE 90 -8.427 -0.414 -5.940 511 HG22 ILE 90 2HG2 ILE 90 -7.505 -0.320 -7.459 512 HG23 ILE 90 3HG2 ILE 90 -9.189 -0.841 -7.474 513 HD11 ILE 90 3HD1 ILE 90 -5.233 -2.976 -7.701 514 HD12 ILE 90 1HD1 ILE 90 -5.339 -1.225 -7.343 515 HD13 ILE 90 2HD1 ILE 90 -4.398 -2.315 -6.296 516 H GLU 91 H GLU 91 -9.366 -4.920 -7.908 517 HA GLU 91 HA GLU 91 -8.443 -7.201 -6.349 518 HB2 GLU 91 2HB GLU 91 -10.277 -7.323 -8.011 519 HB3 GLU 91 3HB GLU 91 -9.074 -7.093 -9.273 520 HG2 GLU 91 2HG GLU 91 -8.331 -9.225 -7.336 521 HG3 GLU 91 3HG GLU 91 -9.890 -9.498 -8.074 522 H PHE 92 H PHE 92 -6.622 -7.804 -6.126 523 HA PHE 92 HA PHE 92 -4.229 -6.904 -7.588 524 HD1 PHE 92 HD1 PHE 92 -2.012 -7.856 -7.100 525 HD2 PHE 92 HD2 PHE 92 -3.158 -7.118 -2.999 526 HE1 PHE 92 HE1 PHE 92 0.329 -8.147 -6.400 527 HE2 PHE 92 HE2 PHE 92 -0.798 -7.438 -2.309 528 HZ PHE 92 HZ PHE 92 0.937 -7.838 -4.033 529 HB2 PHE 92 2HB PHE 92 -4.786 -6.514 -5.039 530 HB3 PHE 92 3HB PHE 92 -4.602 -8.093 -4.822 531 H ARG 93 H ARG 93 -4.007 -8.516 -9.179 532 HA ARG 93 HA ARG 93 -3.793 -10.535 -10.193 533 HE ARG 93 HE ARG 93 2.134 -9.396 -9.174 534 HB2 ARG 93 2HB ARG 93 -1.859 -11.015 -7.890 535 HB3 ARG 93 3HB ARG 93 -1.841 -11.816 -9.463 536 HG2 ARG 93 2HG ARG 93 -1.485 -9.512 -10.512 537 HG3 ARG 93 3HG ARG 93 -1.147 -8.927 -8.866 538 HD2 ARG 93 2HD ARG 93 0.512 -10.888 -8.677 539 HD3 ARG 93 3HD ARG 93 0.333 -11.097 -10.418 540 HH11 ARG 93 1HH1 ARG 93 -0.262 -8.745 -11.710 541 HH12 ARG 93 2HH1 ARG 93 0.814 -7.519 -12.389 542 HH21 ARG 93 1HH2 ARG 93 3.432 -7.989 -10.392 543 HH22 ARG 93 2HH2 ARG 93 2.624 -7.127 -11.697 544 H GLY 94 H GLY 94 -6.068 -10.667 -8.425 545 HA2 GLY 94 2HA GLY 94 -7.530 -12.592 -8.342 546 HA3 GLY 94 3HA GLY 94 -6.199 -13.607 -7.833 547 H SER 95 H SER 95 -6.244 -10.603 -5.960 548 HA SER 95 HA SER 95 -8.310 -11.552 -4.047 549 HG SER 95 HG SER 95 -6.357 -13.197 -3.747 550 HB2 SER 95 2HB SER 95 -5.373 -10.939 -3.432 551 HB3 SER 95 3HB SER 95 -6.647 -10.835 -2.225 552 H VAL 96 H VAL 96 -9.347 -9.649 -3.254 553 HA VAL 96 HA VAL 96 -8.342 -7.148 -4.378 554 HB VAL 96 HB VAL 96 -10.233 -6.054 -4.151 555 HG11 VAL 96 1HG1 VAL 96 -11.339 -8.872 -4.308 556 HG12 VAL 96 2HG1 VAL 96 -12.051 -7.391 -4.979 557 HG13 VAL 96 3HG1 VAL 96 -10.541 -8.031 -5.651 558 HG21 VAL 96 3HG2 VAL 96 -12.089 -6.378 -2.772 559 HG22 VAL 96 1HG2 VAL 96 -11.363 -7.831 -2.034 560 HG23 VAL 96 2HG2 VAL 96 -10.635 -6.205 -1.790 561 H ILE 97 H ILE 97 -8.048 -5.176 -3.107 562 HA ILE 97 HA ILE 97 -7.530 -5.534 -0.191 563 HB ILE 97 HB ILE 97 -5.571 -3.880 -0.629 564 HG12 ILE 97 2HG1 ILE 97 -5.478 -5.415 -3.242 565 HG13 ILE 97 3HG1 ILE 97 -6.062 -3.757 -3.129 566 HG21 ILE 97 1HG2 ILE 97 -3.987 -5.688 -0.546 567 HG22 ILE 97 2HG2 ILE 97 -5.403 -6.106 0.408 568 HG23 ILE 97 3HG2 ILE 97 -5.190 -6.839 -1.199 569 HD11 ILE 97 3HD1 ILE 97 -3.924 -3.021 -2.142 570 HD12 ILE 97 1HD1 ILE 97 -3.245 -4.641 -2.443 571 HD13 ILE 97 2HD1 ILE 97 -3.773 -3.631 -3.808 572 H THR 98 H THR 98 -8.514 -4.106 0.899 573 HA THR 98 HA THR 98 -9.567 -1.502 -0.095 574 HB THR 98 HB THR 98 -9.517 -2.673 2.690 575 HG1 THR 98 1HG THR 98 -11.675 -3.316 2.213 576 HG21 THR 98 1HG2 THR 98 -11.406 -0.637 1.463 577 HG22 THR 98 2HG2 THR 98 -11.428 -1.233 3.136 578 HG23 THR 98 3HG2 THR 98 -10.067 -0.251 2.575 579 H VAL 99 H VAL 99 -8.576 0.448 0.638 580 HA VAL 99 HA VAL 99 -6.103 0.142 2.213 581 HB VAL 99 HB VAL 99 -4.657 1.328 0.803 582 HG11 VAL 99 1HG1 VAL 99 -4.418 -0.181 -1.087 583 HG12 VAL 99 2HG1 VAL 99 -4.826 -1.062 0.381 584 HG13 VAL 99 3HG1 VAL 99 -6.057 -0.798 -0.863 585 HG21 VAL 99 3HG2 VAL 99 -7.112 1.789 -0.829 586 HG22 VAL 99 1HG2 VAL 99 -5.872 2.926 -0.277 587 HG23 VAL 99 2HG2 VAL 99 -5.509 1.802 -1.598 588 H GLU 100 H GLU 100 -5.590 1.740 3.456 589 HA GLU 100 HA GLU 100 -6.845 4.452 3.361 590 HB2 GLU 100 2HB GLU 100 -8.130 4.176 5.406 591 HB3 GLU 100 3HB GLU 100 -8.757 3.052 4.232 592 HG2 GLU 100 2HG GLU 100 -6.655 1.928 6.058 593 HG3 GLU 100 3HG GLU 100 -8.113 2.486 6.847 594 H ARG 101 H ARG 101 -6.397 5.639 5.453 595 HA ARG 101 HA ARG 101 -3.567 5.295 6.047 596 HE ARG 101 HE ARG 101 -7.858 8.722 8.583 597 HB2 ARG 101 2HB ARG 101 -3.744 7.202 7.347 598 HB3 ARG 101 3HB ARG 101 -4.534 7.518 5.876 599 HG2 ARG 101 2HG ARG 101 -6.707 6.709 7.368 600 HG3 ARG 101 3HG ARG 101 -5.639 7.333 8.639 601 HD2 ARG 101 2HD ARG 101 -5.370 9.401 7.156 602 HD3 ARG 101 3HD ARG 101 -6.666 8.773 6.147 603 HH11 ARG 101 2HH2 ARG 101 -6.073 11.350 7.075 604 HH12 ARG 101 1HH2 ARG 101 -7.127 12.561 7.764 605 HH21 ARG 101 1HH1 ARG 101 -9.108 10.324 9.463 606 HH22 ARG 101 2HH1 ARG 101 -8.776 11.992 9.104 607 H ASP 102 H ASP 102 -2.695 4.156 7.429 608 HA ASP 102 HA ASP 102 -3.980 2.781 9.723 609 HB2 ASP 102 2HB ASP 102 -2.111 1.870 8.035 610 HB3 ASP 102 3HB ASP 102 -1.041 2.790 8.987 611 H ASP 103 H ASP 103 -1.781 5.373 8.792 612 HA ASP 103 HA ASP 103 -2.506 7.065 10.994 613 HB2 ASP 103 2HB ASP 103 -0.529 5.710 11.908 614 HB3 ASP 103 3HB ASP 103 0.453 6.433 10.632 615 H ASN 104 H ASN 104 -1.788 9.275 10.567 616 HA ASN 104 HA ASN 104 -1.235 9.930 7.698 617 HB2 ASN 104 2HB ASN 104 -3.645 9.849 8.513 618 HB3 ASN 104 3HB ASN 104 -3.270 11.172 9.603 619 HD21 ASN 104 2HD2 ASN 104 -2.301 13.125 8.429 620 HD22 ASN 104 1HD2 ASN 104 -3.300 13.632 7.030
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