![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
![]() |
12652 |
1tbc ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LEU 1 HT2 LEU 1 14.354 -11.173 -11.173 2 2H LEU 1 HT1 LEU 1 12.937 -12.103 -12.103 3 3H LEU 1 HT3 LEU 1 13.736 -11.594 -11.594 4 HA LEU 1 HA LEU 1 11.841 -10.188 -10.188 5 1HB LEU 1 HB2 LEU 1 11.421 -9.100 -9.100 6 2HB LEU 1 HB1 LEU 1 11.627 -10.836 -10.836 7 HG LEU 1 HG LEU 1 14.210 -9.622 -9.622 8 1HD1 LEU 1 HD11 LEU 1 12.890 -7.511 -7.511 9 2HD1 LEU 1 HD13 LEU 1 12.246 -8.240 -8.240 10 3HD1 LEU 1 HD12 LEU 1 13.977 -7.940 -7.940 11 1HD2 LEU 1 HD23 LEU 1 12.836 -11.572 -11.572 12 2HD2 LEU 1 HD22 LEU 1 14.394 -10.921 -10.921 13 3HD2 LEU 1 HD21 LEU 1 12.906 -10.304 -10.304 14 H ASP 2 HN ASP 2 11.909 -7.719 -7.719 15 HA ASP 2 HA ASP 2 12.921 -5.748 -5.748 16 1HB ASP 2 HB2 ASP 2 13.766 -6.243 -6.243 17 2HB ASP 2 HB1 ASP 2 15.288 -6.609 -6.609 18 HA PRO 3 HA PRO 3 15.832 -7.963 -7.963 19 1HB PRO 3 HB2 PRO 3 14.161 -8.401 -8.401 20 2HB PRO 3 HB1 PRO 3 14.338 -9.537 -9.537 21 1HG PRO 3 HG2 PRO 3 12.106 -7.703 -7.703 22 2HG PRO 3 HG1 PRO 3 12.113 -9.218 -9.218 23 1HD PRO 3 HD2 PRO 3 12.195 -6.525 -6.525 24 2HD PRO 3 HD1 PRO 3 12.150 -8.012 -8.012 25 H VAL 4 HN VAL 4 13.447 -6.467 -6.467 26 HA VAL 4 HA VAL 4 15.320 -4.443 -4.443 27 HB VAL 4 HB VAL 4 12.390 -5.159 -5.159 28 1HG1 VAL 4 HG13 VAL 4 13.744 -2.685 -2.685 29 2HG1 VAL 4 HG12 VAL 4 12.403 -3.454 -3.454 30 3HG1 VAL 4 HG11 VAL 4 12.171 -2.828 -2.828 31 1HG2 VAL 4 HG22 VAL 4 14.892 -5.341 -5.341 32 2HG2 VAL 4 HG21 VAL 4 13.668 -6.567 -6.567 33 3HG2 VAL 4 HG23 VAL 4 13.329 -5.267 -5.267 34 H ASP 5 HN ASP 5 12.273 -4.422 -4.422 35 HA ASP 5 HA ASP 5 13.155 -2.401 -2.401 36 1HB ASP 5 HB2 ASP 5 11.412 -1.798 -1.798 37 2HB ASP 5 HB1 ASP 5 10.883 -1.116 -1.116 38 HA PRO 6 HA PRO 6 9.253 -4.528 -4.528 39 1HB PRO 6 HB2 PRO 6 7.077 -4.745 -4.745 40 2HB PRO 6 HB1 PRO 6 7.489 -3.231 -3.231 41 1HG PRO 6 HG2 PRO 6 7.630 -3.823 -3.823 42 2HG PRO 6 HG1 PRO 6 7.721 -2.257 -2.257 43 1HD PRO 6 HD2 PRO 6 9.814 -3.947 -3.947 44 2HD PRO 6 HD1 PRO 6 9.791 -2.225 -2.225 45 H ASN 7 HN ASN 7 7.649 -6.671 -6.671 46 HA ASN 7 HA ASN 7 9.592 -8.623 -8.623 47 1HB ASN 7 HB2 ASN 7 6.642 -8.705 -8.705 48 2HB ASN 7 HB1 ASN 7 7.574 -10.145 -10.145 49 1HD2 ASN 7 HD22 ASN 7 7.855 -8.861 -8.861 50 2HD2 ASN 7 HD21 ASN 7 6.668 -8.292 -8.292 51 H ILE 8 HN ILE 8 6.480 -7.441 -7.441 52 HA ILE 8 HA ILE 8 7.536 -8.142 -8.142 53 HB ILE 8 HB ILE 8 5.488 -9.216 -9.216 54 1HG1 ILE 8 HG12 ILE 8 3.967 -7.532 -7.532 55 2HG1 ILE 8 HG11 ILE 8 3.479 -9.203 -9.203 56 1HG2 ILE 8 HG23 ILE 8 6.340 -9.986 -9.986 57 2HG2 ILE 8 HG22 ILE 8 5.199 -10.932 -10.932 58 3HG2 ILE 8 HG21 ILE 8 6.852 -10.708 -10.708 59 1HD1 ILE 8 HD13 ILE 8 4.939 -9.039 -9.039 60 2HD1 ILE 8 HD12 ILE 8 4.607 -7.318 -7.318 61 3HD1 ILE 8 HD11 ILE 8 3.274 -8.462 -8.462 62 H GLU 9 HN GLU 9 6.862 -5.581 -5.581 63 HA GLU 9 HA GLU 9 6.009 -3.415 -3.415 64 1HB GLU 9 HB2 GLU 9 6.801 -4.488 -4.488 65 2HB GLU 9 HB1 GLU 9 6.169 -2.854 -2.854 66 1HG GLU 9 HG2 GLU 9 7.953 -2.188 -2.188 67 2HG GLU 9 HG1 GLU 9 8.456 -3.874 -3.874 68 HA PRO 10 HA PRO 10 1.853 -4.895 -4.895 69 1HB PRO 10 HB2 PRO 10 0.695 -5.415 -5.415 70 2HB PRO 10 HB1 PRO 10 1.710 -6.482 -6.482 71 1HG PRO 10 HG2 PRO 10 2.286 -4.871 -4.871 72 2HG PRO 10 HG1 PRO 10 2.938 -6.520 -6.520 73 1HD PRO 10 HD2 PRO 10 4.070 -3.921 -3.921 74 2HD PRO 10 HD1 PRO 10 4.776 -5.455 -5.455 75 H TRP 11 HN TRP 11 2.874 -2.158 -2.158 76 HA TRP 11 HA TRP 11 0.537 -0.925 -0.925 77 1HB TRP 11 HB2 TRP 11 3.232 0.185 0.185 78 2HB TRP 11 HB1 TRP 11 2.101 0.997 0.997 79 HD1 TRP 11 HD1 TRP 11 4.372 -2.020 -2.020 80 HE1 TRP 11 HE1 TRP 11 4.745 -2.537 -2.537 81 HE3 TRP 11 HE3 TRP 11 1.162 1.356 1.356 82 HZ2 TRP 11 HZ2 TRP 11 3.803 -1.623 -1.623 83 HZ3 TRP 11 HZ3 TRP 11 0.931 1.508 1.508 84 HH2 TRP 11 HH2 TRP 11 2.240 0.030 0.030 85 H ASN 12 HN ASN 12 -0.003 -1.958 -1.958 86 HA ASN 12 HA ASN 12 -0.546 0.495 0.495 87 1HB ASN 12 HB2 ASN 12 0.293 -0.993 -0.993 88 2HB ASN 12 HB1 ASN 12 1.448 -0.086 -0.086 89 1HD2 ASN 12 HD22 ASN 12 2.758 -2.971 -2.971 90 2HD2 ASN 12 HD21 ASN 12 2.487 -1.317 -1.317 91 H HIS 13 HN HIS 13 -2.715 -0.104 -0.104 92 HA HIS 13 HA HIS 13 -3.898 -2.509 -2.509 93 1HB HIS 13 HB2 HIS 13 -4.520 -0.899 -0.899 94 2HB HIS 13 HB1 HIS 13 -5.622 -2.172 -2.172 95 HD1 HIS 13 HD1 HIS 13 -4.445 -2.622 -2.622 96 HD2 HIS 13 HD2 HIS 13 -2.433 -3.829 -3.829 97 HE1 HIS 13 HE1 HIS 13 -2.825 -4.431 -4.431 98 HA PRO 14 HA PRO 14 -6.679 0.214 0.214 99 1HB PRO 14 HB2 PRO 14 -8.838 -1.592 -1.592 100 2HB PRO 14 HB1 PRO 14 -7.322 -1.638 -1.638 101 1HG PRO 14 HG2 PRO 14 -8.387 -3.134 -3.134 102 2HG PRO 14 HG1 PRO 14 -7.372 -3.718 -3.718 103 1HD PRO 14 HD2 PRO 14 -6.478 -3.049 -3.049 104 2HD PRO 14 HD1 PRO 14 -5.425 -3.298 -3.298 105 H GLY 15 HN GLY 15 -7.423 -1.203 -1.203 106 1HA GLY 15 HA2 GLY 15 -8.691 -0.482 -0.482 107 2HA GLY 15 HA1 GLY 15 -9.105 1.016 1.016 108 H SER 16 HN SER 16 -9.527 -2.187 -2.187 109 HA SER 16 HA SER 16 -12.443 -2.264 -2.264 110 1HB SER 16 HB2 SER 16 -11.033 -1.978 -1.978 111 2HB SER 16 HB1 SER 16 -12.729 -2.427 -2.427 112 HG SER 16 HG SER 16 -11.770 -0.044 -0.044 113 H GLN 17 HN GLN 17 -9.575 -3.966 -3.966 114 HA GLN 17 HA GLN 17 -11.021 -6.507 -6.507 115 1HB GLN 17 HB2 GLN 17 -8.456 -5.497 -5.497 116 2HB GLN 17 HB1 GLN 17 -9.007 -7.201 -7.201 117 1HG GLN 17 HG2 GLN 17 -10.476 -6.924 -6.924 118 2HG GLN 17 HG1 GLN 17 -11.160 -5.481 -5.481 119 1HE2 GLN 17 HE22 GLN 17 -9.684 -3.420 -3.420 120 2HE2 GLN 17 HE21 GLN 17 -10.989 -3.710 -3.710 121 HA PRO 18 HA PRO 18 -7.161 -7.694 -7.694 122 1HB PRO 18 HB2 PRO 18 -5.376 -5.720 -5.720 123 2HB PRO 18 HB1 PRO 18 -5.236 -6.698 -6.698 124 1HG PRO 18 HG2 PRO 18 -6.392 -3.965 -3.965 125 2HG PRO 18 HG1 PRO 18 -5.287 -4.546 -4.546 126 1HD PRO 18 HD2 PRO 18 -7.850 -4.192 -4.192 127 2HD PRO 18 HD1 PRO 18 -6.989 -5.543 -5.543 128 H LYS 19 HN LYS 19 -8.989 -4.806 -4.806 129 HA LYS 19 HA LYS 19 -9.098 -5.360 -5.360 130 1HB LYS 19 HB2 LYS 19 -8.999 -2.945 -2.945 131 2HB LYS 19 HB1 LYS 19 -7.594 -3.436 -3.436 132 1HG LYS 19 HG2 LYS 19 -8.277 -2.374 -2.374 133 2HG LYS 19 HG1 LYS 19 -9.998 -2.588 -2.588 134 1HD LYS 19 HD2 LYS 19 -8.778 -0.909 -0.909 135 2HD LYS 19 HD1 LYS 19 -8.432 -0.284 -0.284 136 1HE LYS 19 HE2 LYS 19 -10.870 -0.386 -0.386 137 2HE LYS 19 HE1 LYS 19 -11.192 -0.952 -0.952 138 1HZ LYS 19 HZ3 LYS 19 -9.731 1.550 1.550 139 2HZ LYS 19 HZ2 LYS 19 -11.352 1.490 1.490 140 3HZ LYS 19 HZ1 LYS 19 -10.111 1.031 1.031 141 H THR 20 HN THR 20 -10.866 -5.791 -5.791 142 HA THR 20 HA THR 20 -13.398 -4.948 -4.948 143 HB THR 20 HB THR 20 -12.325 -3.949 -3.949 144 HG1 THR 20 HG1 THR 20 -12.187 -2.208 -2.208 145 1HG2 THR 20 HG22 THR 20 -14.630 -4.874 -4.874 146 2HG2 THR 20 HG21 THR 20 -15.203 -3.788 -3.788 147 3HG2 THR 20 HG23 THR 20 -14.543 -3.127 -3.127 148 H ALA 21 HN ALA 21 -11.856 -6.568 -6.568 149 HA ALA 21 HA ALA 21 -14.227 -8.016 -8.016 150 1HB ALA 21 HB3 ALA 21 -11.272 -8.381 -8.381 151 2HB ALA 21 HB2 ALA 21 -12.542 -9.272 -9.272 152 3HB ALA 21 HB1 ALA 21 -12.437 -7.520 -7.520 153 H CYS 22 HN CYS 22 -14.418 -8.636 -8.636 154 HA CYS 22 HA CYS 22 -14.360 -10.355 -10.355 155 1HB CYS 22 HB2 CYS 22 -15.212 -11.032 -11.032 156 2HB CYS 22 HB1 CYS 22 -14.143 -12.428 -12.428 157 HG CYS 22 HG CYS 22 -16.383 -13.099 -13.099 158 H ASN 23 HN ASN 23 -11.759 -9.293 -9.293 159 HA ASN 23 HA ASN 23 -9.830 -11.426 -11.426 160 1HB ASN 23 HB2 ASN 23 -8.253 -9.612 -9.612 161 2HB ASN 23 HB1 ASN 23 -9.664 -8.969 -8.969 162 1HD2 ASN 23 HD22 ASN 23 -10.638 -6.830 -6.830 163 2HD2 ASN 23 HD21 ASN 23 -11.141 -7.539 -7.539 164 H ARG 24 HN ARG 24 -8.006 -10.587 -10.587 165 HA ARG 24 HA ARG 24 -8.238 -12.424 -12.424 166 1HB ARG 24 HB2 ARG 24 -7.224 -9.583 -9.583 167 2HB ARG 24 HB1 ARG 24 -6.718 -10.768 -10.768 168 1HG ARG 24 HG2 ARG 24 -5.189 -11.618 -11.618 169 2HG ARG 24 HG1 ARG 24 -6.336 -11.865 -11.865 170 1HD ARG 24 HD2 ARG 24 -4.505 -10.299 -10.299 171 2HD ARG 24 HD1 ARG 24 -6.088 -9.490 -9.490 172 HE ARG 24 HE ARG 24 -5.564 -8.511 -8.511 173 1HH1 ARG 24 HH11 ARG 24 -3.097 -10.735 -10.735 174 2HH1 ARG 24 HH12 ARG 24 -1.803 -9.677 -9.677 175 1HH2 ARG 24 HH21 ARG 24 -3.830 -6.880 -6.880 176 2HH2 ARG 24 HH22 ARG 24 -2.226 -7.509 -7.509 177 H CYS 25 HN CYS 25 -8.937 -8.995 -8.995 178 HA CYS 25 HA CYS 25 -10.612 -8.032 -8.032 179 1HB CYS 25 HB2 CYS 25 -11.854 -9.737 -9.737 180 2HB CYS 25 HB1 CYS 25 -12.071 -10.601 -10.601 181 HG CYS 25 HG CYS 25 -13.841 -8.926 -8.926 182 H HIS 26 HN HIS 26 -8.427 -9.296 -9.296 183 HA HIS 26 HA HIS 26 -9.537 -9.727 -9.727 184 1HB HIS 26 HB2 HIS 26 -8.436 -12.095 -12.095 185 2HB HIS 26 HB1 HIS 26 -10.034 -11.875 -11.875 186 HD1 HIS 26 HD1 HIS 26 -9.178 -14.291 -14.291 187 HD2 HIS 26 HD2 HIS 26 -7.433 -10.782 -10.782 188 HE1 HIS 26 HE1 HIS 26 -8.126 -14.827 -14.827 189 H CYS 27 HN CYS 27 -6.727 -9.729 -9.729 190 HA CYS 27 HA CYS 27 -4.979 -9.081 -9.081 191 1HB CYS 27 HB2 CYS 27 -3.364 -10.473 -10.473 192 2HB CYS 27 HB1 CYS 27 -4.841 -11.166 -11.166 193 HG CYS 27 HG CYS 27 -4.446 -10.260 -10.260 194 H LYS 28 HN LYS 28 -6.561 -7.781 -7.781 195 HA LYS 28 HA LYS 28 -4.456 -5.930 -5.930 196 1HB LYS 28 HB2 LYS 28 -5.975 -6.783 -6.783 197 2HB LYS 28 HB1 LYS 28 -7.336 -6.449 -6.449 198 1HG LYS 28 HG2 LYS 28 -6.655 -3.923 -3.923 199 2HG LYS 28 HG1 LYS 28 -5.697 -4.503 -4.503 200 1HD LYS 28 HD2 LYS 28 -7.753 -3.899 -3.899 201 2HD LYS 28 HD1 LYS 28 -7.866 -5.640 -5.640 202 1HE LYS 28 HE2 LYS 28 -8.979 -5.142 -5.142 203 2HE LYS 28 HE1 LYS 28 -9.209 -3.497 -3.497 204 1HZ LYS 28 HZ2 LYS 28 -9.841 -5.348 -5.348 205 2HZ LYS 28 HZ1 LYS 28 -10.664 -5.814 -5.814 206 3HZ LYS 28 HZ3 LYS 28 -10.877 -4.254 -4.254 207 H LYS 29 HN LYS 29 -7.355 -5.888 -5.888 208 HA LYS 29 HA LYS 29 -6.755 -3.060 -3.060 209 1HB LYS 29 HB2 LYS 29 -9.048 -2.669 -2.669 210 2HB LYS 29 HB1 LYS 29 -8.943 -3.782 -3.782 211 1HG LYS 29 HG2 LYS 29 -9.610 -4.570 -4.570 212 2HG LYS 29 HG1 LYS 29 -10.778 -4.281 -4.281 213 1HD LYS 29 HD2 LYS 29 -9.461 -6.059 -6.059 214 2HD LYS 29 HD1 LYS 29 -8.749 -6.473 -6.473 215 1HE LYS 29 HE2 LYS 29 -11.752 -6.233 -6.233 216 2HE LYS 29 HE1 LYS 29 -11.002 -7.679 -7.679 217 1HZ LYS 29 HZ1 LYS 29 -9.712 -7.960 -7.960 218 2HZ LYS 29 HZ3 LYS 29 -10.551 -6.668 -6.668 219 3HZ LYS 29 HZ2 LYS 29 -11.384 -8.082 -8.082 220 H CYS 30 HN CYS 30 -5.762 -5.688 -5.688 221 HA CYS 30 HA CYS 30 -7.128 -6.031 -6.031 222 1HB CYS 30 HB2 CYS 30 -5.662 -7.635 -7.635 223 2HB CYS 30 HB1 CYS 30 -4.271 -6.808 -6.808 224 HG CYS 30 HG CYS 30 -4.697 -8.569 -8.569 225 H CYS 31 HN CYS 31 -6.920 -3.406 -3.406 226 HA CYS 31 HA CYS 31 -5.729 -1.468 -1.468 227 1HB CYS 31 HB2 CYS 31 -5.851 -1.727 -1.727 228 2HB CYS 31 HB1 CYS 31 -7.294 -2.284 -2.284 229 HG CYS 31 HG CYS 31 -5.923 -4.005 -4.005 230 H TYR 32 HN TYR 32 -3.600 -1.986 -1.986 231 HA TYR 32 HA TYR 32 -1.432 -2.074 -2.074 232 1HB TYR 32 HB2 TYR 32 -0.373 -4.035 -4.035 233 2HB TYR 32 HB1 TYR 32 -2.032 -4.479 -4.479 234 HD1 TYR 32 HD1 TYR 32 -3.717 -3.807 -3.807 235 HD2 TYR 32 HD2 TYR 32 0.462 -4.809 -4.809 236 HE1 TYR 32 HE1 TYR 32 -3.943 -4.465 -4.465 237 HE2 TYR 32 HE2 TYR 32 0.229 -5.470 -5.470 238 HH TYR 32 HH TYR 32 -2.049 -6.327 -6.327 239 H HIS 33 HN HIS 33 -2.348 0.009 0.009 240 HA HIS 33 HA HIS 33 -1.516 1.688 1.688 241 1HB HIS 33 HB2 HIS 33 1.022 -0.025 -0.025 242 2HB HIS 33 HB1 HIS 33 0.880 1.617 1.617 243 HD1 HIS 33 HD1 HIS 33 0.583 3.545 3.545 244 HD2 HIS 33 HD2 HIS 33 0.738 -0.199 -0.199 245 HE1 HIS 33 HE1 HIS 33 0.832 3.970 3.970 246 H CYS 34 HN CYS 34 -2.241 -1.339 -1.339 247 HA CYS 34 HA CYS 34 -2.557 -2.373 -2.373 248 1HB CYS 34 HB2 CYS 34 -2.795 0.569 0.569 249 2HB CYS 34 HB1 CYS 34 -2.852 -0.488 -0.488 250 HG CYS 34 HG CYS 34 -5.311 -0.293 -0.293 251 H GLN 35 HN GLN 35 -0.150 -3.064 -3.064 252 HA GLN 35 HA GLN 35 1.789 -1.737 -1.737 253 1HB GLN 35 HB2 GLN 35 1.889 -4.259 -4.259 254 2HB GLN 35 HB1 GLN 35 3.263 -3.502 -3.502 255 1HG GLN 35 HG2 GLN 35 1.639 -2.404 -2.404 256 2HG GLN 35 HG1 GLN 35 3.395 -2.746 -2.746 257 1HE2 GLN 35 HE22 GLN 35 2.096 0.868 0.868 258 2HE2 GLN 35 HE21 GLN 35 1.077 -0.290 -0.290 259 H VAL 36 HN VAL 36 -0.004 -4.817 -4.817 260 HA VAL 36 HA VAL 36 -0.466 -6.436 -6.436 261 HB VAL 36 HB VAL 36 0.016 -4.049 -4.049 262 1HG1 VAL 36 HG11 VAL 36 -1.033 -6.703 -6.703 263 2HG1 VAL 36 HG13 VAL 36 -2.051 -5.377 -5.377 264 3HG1 VAL 36 HG12 VAL 36 -0.367 -5.480 -5.480 265 1HG2 VAL 36 HG21 VAL 36 -2.497 -4.857 -4.857 266 2HG2 VAL 36 HG23 VAL 36 -1.571 -3.371 -3.371 267 3HG2 VAL 36 HG22 VAL 36 -2.423 -3.666 -3.666 268 H CYS 37 HN CYS 37 1.902 -7.081 -7.081 269 HA CYS 37 HA CYS 37 3.999 -8.004 -8.004 270 1HB CYS 37 HB2 CYS 37 2.152 -8.911 -8.911 271 2HB CYS 37 HB1 CYS 37 3.126 -8.031 -8.031 272 HG CYS 37 HG CYS 37 4.841 -9.807 -9.807 273 H PHE 38 HN PHE 38 5.393 -6.216 -6.216 274 HA PHE 38 HA PHE 38 6.240 -4.817 -4.817 275 1HB PHE 38 HB2 PHE 38 6.054 -2.642 -2.642 276 2HB PHE 38 HB1 PHE 38 4.573 -3.594 -3.594 277 HD1 PHE 38 HD1 PHE 38 4.881 -5.079 -5.079 278 HD2 PHE 38 HD2 PHE 38 6.954 -1.440 -1.440 279 HE1 PHE 38 HE1 PHE 38 5.285 -4.686 -4.686 280 HE2 PHE 38 HE2 PHE 38 7.351 -1.044 -1.044 281 HZ PHE 38 HZ PHE 38 6.516 -2.668 -2.668 282 H ILE 39 HN ILE 39 8.122 -3.170 -3.170 283 HA ILE 39 HA ILE 39 10.429 -4.770 -4.770 284 HB ILE 39 HB ILE 39 11.535 -3.110 -3.110 285 1HG1 ILE 39 HG12 ILE 39 9.273 -1.372 -1.372 286 2HG1 ILE 39 HG11 ILE 39 8.947 -2.892 -2.892 287 1HG2 ILE 39 HG23 ILE 39 9.777 -2.456 -2.456 288 2HG2 ILE 39 HG22 ILE 39 10.274 -1.073 -1.073 289 3HG2 ILE 39 HG21 ILE 39 11.490 -2.114 -2.114 290 1HD1 ILE 39 HD12 ILE 39 11.692 -2.174 -2.174 291 2HD1 ILE 39 HD11 ILE 39 10.679 -0.771 -0.771 292 3HD1 ILE 39 HD13 ILE 39 10.380 -2.297 -2.297 293 H THR 40 HN THR 40 8.356 -4.601 -4.601 294 HA THR 40 HA THR 40 10.125 -6.718 -6.718 295 HB THR 40 HB THR 40 8.396 -4.582 -4.582 296 HG1 THR 40 HG1 THR 40 10.687 -4.088 -4.088 297 1HG2 THR 40 HG23 THR 40 9.489 -7.066 -7.066 298 2HG2 THR 40 HG22 THR 40 10.198 -5.683 -5.683 299 3HG2 THR 40 HG21 THR 40 8.448 -5.892 -5.892 300 H LYS 41 HN LYS 41 9.147 -8.609 -8.609 301 HA LYS 41 HA LYS 41 6.522 -9.289 -9.289 302 1HB LYS 41 HB2 LYS 41 7.011 -11.437 -11.437 303 2HB LYS 41 HB1 LYS 41 8.504 -10.800 -10.800 304 1HG LYS 41 HG2 LYS 41 9.538 -10.909 -10.909 305 2HG LYS 41 HG1 LYS 41 8.373 -9.854 -9.854 306 1HD LYS 41 HD2 LYS 41 8.079 -12.854 -12.854 307 2HD LYS 41 HD1 LYS 41 8.505 -12.052 -12.052 308 1HE LYS 41 HE2 LYS 41 5.978 -11.178 -11.178 309 2HE LYS 41 HE1 LYS 41 5.947 -12.698 -12.698 310 1HZ LYS 41 HZ3 LYS 41 7.059 -10.128 -10.128 311 2HZ LYS 41 HZ2 LYS 41 5.454 -10.613 -10.613 312 3HZ LYS 41 HZ1 LYS 41 6.737 -11.531 -11.531 313 H GLY 42 HN GLY 42 7.600 -7.865 -7.865 314 1HA GLY 42 HA2 GLY 42 5.506 -8.722 -8.722 315 2HA GLY 42 HA1 GLY 42 6.463 -7.259 -7.259 316 H LEU 43 HN LEU 43 5.220 -6.898 -6.898 317 HA LEU 43 HA LEU 43 3.402 -5.757 -5.757 318 1HB LEU 43 HB2 LEU 43 1.920 -6.647 -6.647 319 2HB LEU 43 HB1 LEU 43 1.274 -6.198 -6.198 320 HG LEU 43 HG LEU 43 3.022 -8.581 -8.581 321 1HD1 LEU 43 HD11 LEU 43 0.229 -8.032 -8.032 322 2HD1 LEU 43 HD13 LEU 43 0.456 -9.262 -9.262 323 3HD1 LEU 43 HD12 LEU 43 1.163 -9.486 -9.486 324 1HD2 LEU 43 HD22 LEU 43 3.253 -7.442 -7.442 325 2HD2 LEU 43 HD21 LEU 43 2.474 -9.020 -9.020 326 3HD2 LEU 43 HD23 LEU 43 1.504 -7.549 -7.549 327 H GLY 44 HN GLY 44 5.320 -4.285 -4.285 328 1HA GLY 44 HA2 GLY 44 5.565 -2.115 -2.115 329 2HA GLY 44 HA1 GLY 44 4.053 -1.773 -1.773 330 H ILE 45 HN ILE 45 4.159 -4.342 -4.342 331 HA ILE 45 HA ILE 45 2.100 -3.110 -3.110 332 HB ILE 45 HB ILE 45 2.668 -5.040 -5.040 333 1HG1 ILE 45 HG12 ILE 45 4.159 -6.706 -6.706 334 2HG1 ILE 45 HG11 ILE 45 4.998 -5.176 -5.176 335 1HG2 ILE 45 HG23 ILE 45 2.025 -5.351 -5.351 336 2HG2 ILE 45 HG22 ILE 45 2.107 -6.767 -6.767 337 3HG2 ILE 45 HG21 ILE 45 0.952 -5.480 -5.480 338 1HD1 ILE 45 HD12 ILE 45 4.385 -5.389 -5.389 339 2HD1 ILE 45 HD11 ILE 45 4.930 -6.988 -6.988 340 3HD1 ILE 45 HD13 ILE 45 5.974 -5.587 -5.587 341 H SER 46 HN SER 46 5.602 -3.641 -3.641 342 HA SER 46 HA SER 46 5.865 -1.089 -1.089 343 1HB SER 46 HB2 SER 46 5.882 -1.864 -1.864 344 2HB SER 46 HB1 SER 46 4.319 -2.241 -2.241 345 HG SER 46 HG SER 46 4.826 -4.157 -4.157 346 H TYR 47 HN TYR 47 7.441 -3.107 -3.107 347 HA TYR 47 HA TYR 47 9.720 -3.891 -3.891 348 1HB TYR 47 HB2 TYR 47 10.634 -4.658 -4.658 349 2HB TYR 47 HB1 TYR 47 8.932 -5.110 -5.110 350 HD1 TYR 47 HD1 TYR 47 11.198 -2.496 -2.496 351 HD2 TYR 47 HD2 TYR 47 7.364 -4.411 -4.411 352 HE1 TYR 47 HE1 TYR 47 10.676 -1.268 -1.268 353 HE2 TYR 47 HE2 TYR 47 6.839 -3.191 -3.191 354 HH TYR 47 HH TYR 47 9.188 -0.925 -0.925 355 H GLY 48 HN GLY 48 8.820 -1.052 -1.052 356 1HA GLY 48 HA2 GLY 48 10.049 1.029 1.029 357 2HA GLY 48 HA1 GLY 48 11.550 0.129 0.129 358 H ARG 49 HN ARG 49 8.623 0.981 0.981 359 HA ARG 49 HA ARG 49 9.848 0.572 0.572 360 1HB ARG 49 HB2 ARG 49 7.450 0.552 0.552 361 2HB ARG 49 HB1 ARG 49 7.508 2.302 2.302 362 1HG ARG 49 HG2 ARG 49 8.387 2.297 2.297 363 2HG ARG 49 HG1 ARG 49 7.953 0.603 0.603 364 1HD ARG 49 HD2 ARG 49 6.084 2.936 2.936 365 2HD ARG 49 HD1 ARG 49 6.110 1.877 1.877 366 HE ARG 49 HE ARG 49 5.700 -0.005 -0.005 367 1HH1 ARG 49 HH21 ARG 49 5.038 0.527 0.527 368 2HH1 ARG 49 HH22 ARG 49 3.522 1.362 1.362 369 1HH2 ARG 49 HH11 ARG 49 3.559 2.266 2.266 370 2HH2 ARG 49 HH12 ARG 49 2.685 2.355 2.355 371 H LYS 50 HN LYS 50 10.413 2.308 2.308 372 HA LYS 50 HA LYS 50 11.449 4.759 4.759 373 1HB LYS 50 HB2 LYS 50 13.202 4.673 4.673 374 2HB LYS 50 HB1 LYS 50 13.207 3.272 3.272 375 1HG LYS 50 HG2 LYS 50 11.455 2.997 2.997 376 2HG LYS 50 HG1 LYS 50 13.162 3.217 3.217 377 1HD LYS 50 HD2 LYS 50 11.942 1.088 1.088 378 2HD LYS 50 HD1 LYS 50 12.591 0.854 0.854 379 1HE LYS 50 HE2 LYS 50 14.788 1.955 1.955 380 2HE LYS 50 HE1 LYS 50 14.032 1.315 1.315 381 1HZ LYS 50 HZ1 LYS 50 13.742 -0.816 -0.816 382 2HZ LYS 50 HZ3 LYS 50 14.529 -0.211 -0.211 383 3HZ LYS 50 HZ2 LYS 50 15.384 -0.387 -0.387 384 H LYS 51 HN LYS 51 9.144 3.739 3.739 385 HA LYS 51 HA LYS 51 7.700 4.986 4.986 386 1HB LYS 51 HB2 LYS 51 8.872 6.901 6.901 387 2HB LYS 51 HB1 LYS 51 8.927 7.568 7.568 388 1HG LYS 51 HG2 LYS 51 6.798 8.179 8.179 389 2HG LYS 51 HG1 LYS 51 6.397 6.532 6.532 390 1HD LYS 51 HD2 LYS 51 7.155 7.288 7.288 391 2HD LYS 51 HD1 LYS 51 5.496 7.346 7.346 392 1HE LYS 51 HE2 LYS 51 5.677 4.924 4.924 393 2HE LYS 51 HE1 LYS 51 7.290 4.888 4.888 394 1HZ LYS 51 HZ1 LYS 51 6.301 5.744 5.744 395 2HZ LYS 51 HZ3 LYS 51 4.759 5.676 5.676 396 3HZ LYS 51 HZ2 LYS 51 5.633 4.244 4.244 397 H ARG 52 HN ARG 52 11.115 6.080 6.080 398 HA ARG 52 HA ARG 52 10.902 6.689 6.689 399 1HB ARG 52 HB2 ARG 52 13.402 5.991 5.991 400 2HB ARG 52 HB1 ARG 52 13.274 7.033 7.033 401 1HG ARG 52 HG2 ARG 52 12.494 7.559 7.559 402 2HG ARG 52 HG1 ARG 52 13.419 8.584 8.584 403 1HD ARG 52 HD2 ARG 52 10.382 8.121 8.121 404 2HD ARG 52 HD1 ARG 52 11.236 9.589 9.589 405 HE ARG 52 HE ARG 52 10.889 8.613 8.613 406 1HH1 ARG 52 HH21 ARG 52 13.619 8.748 8.748 407 2HH1 ARG 52 HH22 ARG 52 14.029 10.427 10.427 408 1HH2 ARG 52 HH11 ARG 52 11.095 11.506 11.506 409 2HH2 ARG 52 HH12 ARG 52 12.598 11.991 11.991 410 H ARG 53 HN ARG 53 10.927 3.713 3.713 411 HA ARG 53 HA ARG 53 12.560 2.033 2.033 412 1HB ARG 53 HB2 ARG 53 11.128 0.266 0.266 413 2HB ARG 53 HB1 ARG 53 11.449 1.461 1.461 414 1HG ARG 53 HG2 ARG 53 9.207 1.390 1.390 415 2HG ARG 53 HG1 ARG 53 9.199 2.592 2.592 416 1HD ARG 53 HD2 ARG 53 8.739 0.848 0.848 417 2HD ARG 53 HD1 ARG 53 8.793 -0.410 -0.410 418 HE ARG 53 HE ARG 53 6.984 1.086 1.086 419 1HH1 ARG 53 HH11 ARG 53 7.129 -0.534 -0.534 420 2HH1 ARG 53 HH12 ARG 53 5.597 0.032 0.032 421 1HH2 ARG 53 HH21 ARG 53 5.100 2.213 2.213 422 2HH2 ARG 53 HH22 ARG 53 4.441 1.580 1.580 423 H GLN 54 HN GLN 54 9.548 3.633 3.633 424 HA GLN 54 HA GLN 54 8.612 1.866 1.866 425 1HB GLN 54 HB2 GLN 54 8.238 4.861 4.861 426 2HB GLN 54 HB1 GLN 54 7.280 3.844 3.844 427 1HG GLN 54 HG2 GLN 54 6.403 2.553 2.553 428 2HG GLN 54 HG1 GLN 54 7.488 3.262 3.262 429 1HE2 GLN 54 HE22 GLN 54 5.644 6.401 6.401 430 2HE2 GLN 54 HE21 GLN 54 7.246 5.816 5.816 431 H ARG 55 HN ARG 55 10.770 4.705 4.705 432 HA ARG 55 HA ARG 55 12.245 5.559 5.559 433 1HB ARG 55 HB2 ARG 55 12.002 2.628 2.628 434 2HB ARG 55 HB1 ARG 55 13.111 3.771 3.771 435 1HG ARG 55 HG2 ARG 55 13.782 4.255 4.255 436 2HG ARG 55 HG1 ARG 55 13.114 2.646 2.646 437 1HD ARG 55 HD2 ARG 55 14.635 1.818 1.818 438 2HD ARG 55 HD1 ARG 55 15.366 3.433 3.433 439 HE ARG 55 HE ARG 55 15.568 2.938 2.938 440 1HH1 ARG 55 HH21 ARG 55 15.324 0.243 0.243 441 2HH1 ARG 55 HH22 ARG 55 16.794 -0.498 -0.498 442 1HH2 ARG 55 HH11 ARG 55 17.800 2.242 2.242 443 2HH2 ARG 55 HH12 ARG 55 18.199 0.636 0.636 444 H ARG 56 HN ARG 56 9.226 5.566 5.566 445 HA ARG 56 HA ARG 56 9.295 6.579 6.579 446 1HB ARG 56 HB2 ARG 56 7.811 4.931 4.931 447 2HB ARG 56 HB1 ARG 56 9.105 4.045 4.045 448 1HG ARG 56 HG2 ARG 56 7.294 4.341 4.341 449 2HG ARG 56 HG1 ARG 56 6.219 4.218 4.218 450 1HD ARG 56 HD2 ARG 56 8.472 2.305 2.305 451 2HD ARG 56 HD1 ARG 56 7.316 2.140 2.140 452 HE ARG 56 HE ARG 56 5.877 2.527 2.527 453 1HH1 ARG 56 HH11 ARG 56 5.230 0.392 0.392 454 2HH1 ARG 56 HH12 ARG 56 5.563 -1.056 -1.056 455 1HH2 ARG 56 HH21 ARG 56 7.409 0.566 0.566 456 2HH2 ARG 56 HH22 ARG 56 6.802 -0.957 -0.957 457 H ARG 57 HN ARG 57 8.658 7.700 7.700 458 HA ARG 57 HA ARG 57 5.940 7.813 7.813 459 1HB ARG 57 HB2 ARG 57 7.923 8.774 8.774 460 2HB ARG 57 HB1 ARG 57 7.945 10.112 10.112 461 1HG ARG 57 HG2 ARG 57 6.722 10.930 10.930 462 2HG ARG 57 HG1 ARG 57 5.460 10.432 10.432 463 1HD ARG 57 HD2 ARG 57 5.386 8.211 8.211 464 2HD ARG 57 HD1 ARG 57 6.488 8.882 8.882 465 HE ARG 57 HE ARG 57 3.686 9.752 9.752 466 1HH1 ARG 57 HH21 ARG 57 4.422 12.312 12.312 467 2HH1 ARG 57 HH22 ARG 57 4.783 12.486 12.486 468 1HH2 ARG 57 HH11 ARG 57 5.135 9.072 9.072 469 2HH2 ARG 57 HH12 ARG 57 5.188 10.647 10.647 470 HA PRO 58 HA PRO 58 5.396 11.437 11.437 471 1HB PRO 58 HB2 PRO 58 7.124 11.490 11.490 472 2HB PRO 58 HB1 PRO 58 7.397 12.391 12.391 473 1HG PRO 58 HG2 PRO 58 8.532 9.769 9.769 474 2HG PRO 58 HG1 PRO 58 9.325 11.124 11.124 475 1HD PRO 58 HD2 PRO 58 8.561 8.893 8.893 476 2HD PRO 58 HD1 PRO 58 8.615 10.406 10.406 477 H SER 59 HN SER 59 6.263 8.156 8.156 478 HA SER 59 HA SER 59 4.797 8.159 8.159 479 1HB SER 59 HB2 SER 59 5.911 5.934 5.934 480 2HB SER 59 HB1 SER 59 5.312 5.728 5.728 481 HG SER 59 HG SER 59 7.002 6.765 6.765 482 H GLN 60 HN GLN 60 2.607 8.555 8.555 483 HA GLN 60 HA GLN 60 1.049 6.593 6.593 484 1HB GLN 60 HB2 GLN 60 0.737 9.611 9.611 485 2HB GLN 60 HB1 GLN 60 -0.182 8.351 8.351 486 1HG GLN 60 HG2 GLN 60 1.581 7.441 7.441 487 2HG GLN 60 HG1 GLN 60 2.775 8.469 8.469 488 1HE2 GLN 60 HE22 GLN 60 1.278 11.525 11.525 489 2HE2 GLN 60 HE21 GLN 60 1.189 10.960 10.960 490 H GLY 61 HN GLY 61 1.481 7.316 7.316 491 1HA GLY 61 HA2 GLY 61 -1.056 8.475 8.475 492 2HA GLY 61 HA1 GLY 61 0.188 7.786 7.786 493 H GLY 62 HN GLY 62 -2.398 6.947 6.947 494 1HA GLY 62 HA2 GLY 62 -4.028 5.233 5.233 495 2HA GLY 62 HA1 GLY 62 -3.143 4.615 4.615 496 H GLN 63 HN GLN 63 -1.336 5.337 5.337 497 HA GLN 63 HA GLN 63 -0.446 2.591 2.591 498 1HB GLN 63 HB2 GLN 63 -0.102 5.166 5.166 499 2HB GLN 63 HB1 GLN 63 0.703 3.696 3.696 500 1HG GLN 63 HG2 GLN 63 0.870 5.077 5.077 501 2HG GLN 63 HG1 GLN 63 2.113 5.131 5.131 502 1HE2 GLN 63 HE22 GLN 63 2.544 1.375 1.375 503 2HE2 GLN 63 HE21 GLN 63 1.802 2.243 2.243 504 H THR 64 HN THR 64 -2.979 4.522 4.522 505 HA THR 64 HA THR 64 -4.431 4.076 4.076 506 HB THR 64 HB THR 64 -3.817 1.365 1.365 507 HG1 THR 64 HG1 THR 64 -4.922 2.309 2.309 508 1HG2 THR 64 HG21 THR 64 -5.591 2.171 2.171 509 2HG2 THR 64 HG23 THR 64 -6.312 1.101 1.101 510 3HG2 THR 64 HG22 THR 64 -4.854 0.606 0.606 511 H HIS 65 HN HIS 65 -1.891 4.577 4.577 512 HA HIS 65 HA HIS 65 -0.695 2.476 2.476 513 1HB HIS 65 HB2 HIS 65 -0.419 5.451 5.451 514 2HB HIS 65 HB1 HIS 65 0.363 4.573 4.573 515 HD1 HIS 65 HD1 HIS 65 1.936 5.961 5.961 516 HD2 HIS 65 HD2 HIS 65 0.929 1.909 1.909 517 HE1 HIS 65 HE1 HIS 65 3.530 4.768 4.768 518 H GLN 66 HN GLN 66 -0.390 2.806 2.806 519 HA GLN 66 HA GLN 66 -3.000 3.505 3.505 520 1HB GLN 66 HB2 GLN 66 -0.830 1.574 1.574 521 2HB GLN 66 HB1 GLN 66 -2.209 1.715 1.715 522 1HG GLN 66 HG2 GLN 66 -3.201 0.181 0.181 523 2HG GLN 66 HG1 GLN 66 -3.277 1.419 1.419 524 1HE2 GLN 66 HE22 GLN 66 -0.626 -0.034 -0.034 525 2HE2 GLN 66 HE21 GLN 66 -1.693 1.271 1.271 526 H ASP 67 HN ASP 67 0.517 3.446 3.446 527 HA ASP 67 HA ASP 67 0.322 5.071 5.071 528 1HB ASP 67 HB2 ASP 67 1.980 3.441 3.441 529 2HB ASP 67 HB1 ASP 67 2.557 3.984 3.984 530 HA PRO 68 HA PRO 68 2.152 8.446 8.446 531 1HB PRO 68 HB2 PRO 68 2.180 8.082 8.082 532 2HB PRO 68 HB1 PRO 68 3.493 7.570 7.570 533 1HG PRO 68 HG2 PRO 68 1.369 6.036 6.036 534 2HG PRO 68 HG1 PRO 68 2.995 5.482 5.482 535 1HD PRO 68 HD2 PRO 68 0.763 4.801 4.801 536 2HD PRO 68 HD1 PRO 68 2.451 4.724 4.724 537 H ILE 69 HN ILE 69 -0.680 6.769 6.769 538 HA ILE 69 HA ILE 69 -1.942 9.463 9.463 539 HB ILE 69 HB ILE 69 -2.702 8.968 8.968 540 1HG1 ILE 69 HG12 ILE 69 -2.027 6.295 6.295 541 2HG1 ILE 69 HG11 ILE 69 -3.069 6.290 6.290 542 1HG2 ILE 69 HG23 ILE 69 -0.128 9.013 9.013 543 2HG2 ILE 69 HG22 ILE 69 -0.210 7.277 7.277 544 3HG2 ILE 69 HG21 ILE 69 -0.781 8.418 8.418 545 1HD1 ILE 69 HD13 ILE 69 -4.516 7.907 7.907 546 2HD1 ILE 69 HD12 ILE 69 -3.678 7.238 7.238 547 3HD1 ILE 69 HD11 ILE 69 -4.602 6.177 6.177 548 HA PRO 70 HA PRO 70 -4.585 6.242 6.242 549 1HB PRO 70 HB2 PRO 70 -4.426 7.431 7.431 550 2HB PRO 70 HB1 PRO 70 -3.366 6.096 6.096 551 1HG PRO 70 HG2 PRO 70 -2.904 9.052 9.052 552 2HG PRO 70 HG1 PRO 70 -1.802 7.753 7.753 553 1HD PRO 70 HD2 PRO 70 -1.572 9.025 9.025 554 2HD PRO 70 HD1 PRO 70 -1.227 7.268 7.268 555 H LYS 71 HN LYS 71 -4.277 9.539 9.539 556 HA LYS 71 HA LYS 71 -6.454 10.865 10.865 557 1HB LYS 71 HB2 LYS 71 -4.943 10.928 10.928 558 2HB LYS 71 HB1 LYS 71 -6.304 12.064 12.064 559 1HG LYS 71 HG2 LYS 71 -4.526 12.945 12.945 560 2HG LYS 71 HG1 LYS 71 -5.146 13.006 13.006 561 1HD LYS 71 HD2 LYS 71 -3.126 10.977 10.977 562 2HD LYS 71 HD1 LYS 71 -2.526 12.544 12.544 563 1HE LYS 71 HE2 LYS 71 -4.049 10.879 10.879 564 2HE LYS 71 HE1 LYS 71 -2.292 10.739 10.739 565 1HZ LYS 71 HZ1 LYS 71 -2.134 13.170 13.170 566 2HZ LYS 71 HZ3 LYS 71 -3.797 13.248 13.248 567 3HZ LYS 71 HZ2 LYS 71 -2.756 12.446 12.446 568 H GLN 72 HN GLN 72 -6.276 8.993 8.993 569 HA GLN 72 HA GLN 72 -9.063 8.147 8.147 570 1HB GLN 72 HB2 GLN 72 -9.040 9.699 9.699 571 2HB GLN 72 HB1 GLN 72 -9.869 10.117 10.117 572 1HG GLN 72 HG2 GLN 72 -8.649 11.922 11.922 573 2HG GLN 72 HG1 GLN 72 -7.662 11.410 11.410 574 1HE2 GLN 72 HE22 GLN 72 -5.018 10.605 10.605 575 2HE2 GLN 72 HE21 GLN 72 -5.514 10.139 10.139 576 HA PRO 73 HA PRO 73 -7.697 5.464 5.464 577 1HB PRO 73 HB2 PRO 73 -9.217 6.015 6.015 578 2HB PRO 73 HB1 PRO 73 -9.840 5.101 5.101 579 1HG PRO 73 HG2 PRO 73 -10.064 8.064 8.064 580 2HG PRO 73 HG1 PRO 73 -11.377 6.908 6.908 581 1HD PRO 73 HD2 PRO 73 -10.362 8.511 8.511 582 2HD PRO 73 HD1 PRO 73 -10.604 6.814 6.814 583 H SER 74 HN SER 74 -8.374 8.729 8.729 584 HA SER 74 HA SER 74 -7.067 10.223 10.223 585 1HB SER 74 HB2 SER 74 -5.775 10.305 10.305 586 2HB SER 74 HB1 SER 74 -5.166 8.904 8.904 587 HG SER 74 HG SER 74 -3.616 9.176 9.176 588 H SER 75 HN SER 75 -6.387 10.375 10.375 589 HA SER 75 HA SER 75 -5.860 9.642 9.642 590 1HB SER 75 HB2 SER 75 -4.064 8.451 8.451 591 2HB SER 75 HB1 SER 75 -4.328 7.326 7.326 592 HG SER 75 HG SER 75 -3.051 9.762 9.762 593 H GLN 76 HN GLN 76 -8.240 8.607 8.607 594 HA GLN 76 HA GLN 76 -8.732 6.177 6.177 595 1HB GLN 76 HB2 GLN 76 -8.704 6.481 6.481 596 2HB GLN 76 HB1 GLN 76 -10.136 5.649 5.649 597 1HG GLN 76 HG2 GLN 76 -8.946 3.800 3.800 598 2HG GLN 76 HG1 GLN 76 -7.766 4.671 4.671 599 1HE2 GLN 76 HE22 GLN 76 -5.391 4.927 4.927 600 2HE2 GLN 76 HE21 GLN 76 -5.801 5.388 5.388 601 HA PRO 77 HA PRO 77 -12.917 8.253 8.253 602 1HB PRO 77 HB2 PRO 77 -12.946 10.396 10.396 603 2HB PRO 77 HB1 PRO 77 -13.234 8.704 8.704 604 1HG PRO 77 HG2 PRO 77 -10.870 10.474 10.474 605 2HG PRO 77 HG1 PRO 77 -11.451 9.229 9.229 606 1HD PRO 77 HD2 PRO 77 -9.412 9.071 9.071 607 2HD PRO 77 HD1 PRO 77 -10.179 7.605 7.605 608 H ARG 78 HN ARG 78 -10.001 10.144 10.144 609 HA ARG 78 HA ARG 78 -11.330 11.990 11.990 610 1HB ARG 78 HB2 ARG 78 -9.161 12.582 12.582 611 2HB ARG 78 HB1 ARG 78 -10.008 13.818 13.818 612 1HG ARG 78 HG2 ARG 78 -12.116 12.928 12.928 613 2HG ARG 78 HG1 ARG 78 -10.920 12.063 12.063 614 1HD ARG 78 HD2 ARG 78 -9.896 14.114 14.114 615 2HD ARG 78 HD1 ARG 78 -10.865 15.077 15.077 616 HE ARG 78 HE ARG 78 -12.664 13.535 13.535 617 1HH1 ARG 78 HH11 ARG 78 -12.758 16.541 16.541 618 2HH1 ARG 78 HH12 ARG 78 -12.507 17.083 17.083 619 1HH2 ARG 78 HH21 ARG 78 -11.300 14.020 14.020 620 2HH2 ARG 78 HH22 ARG 78 -11.681 15.651 15.651 621 H GLY 79 HN GLY 79 -9.096 9.543 9.543 622 1HA GLY 79 HA2 GLY 79 -7.320 10.766 10.766 623 2HA GLY 79 HA1 GLY 79 -6.717 9.682 9.682 624 H ASP 80 HN ASP 80 -6.570 7.572 7.572 625 HA ASP 80 HA ASP 80 -7.532 6.706 6.706 626 1HB ASP 80 HB2 ASP 80 -6.172 5.362 5.362 627 2HB ASP 80 HB1 ASP 80 -6.535 4.521 4.521 628 HA PRO 81 HA PRO 81 -11.466 5.217 5.217 629 1HB PRO 81 HB2 PRO 81 -12.119 3.704 3.704 630 2HB PRO 81 HB1 PRO 81 -12.178 5.471 5.471 631 1HG PRO 81 HG2 PRO 81 -10.078 3.657 3.657 632 2HG PRO 81 HG1 PRO 81 -10.731 5.151 5.151 633 1HD PRO 81 HD2 PRO 81 -8.343 4.979 4.979 634 2HD PRO 81 HD1 PRO 81 -9.310 6.467 6.467 635 H THR 82 HN THR 82 -10.596 3.862 3.862 636 HA THR 82 HA THR 82 -9.469 1.232 1.232 637 HB THR 82 HB THR 82 -10.187 1.065 1.065 638 HG1 THR 82 HG1 THR 82 -10.178 3.834 3.834 639 1HG2 THR 82 HG21 THR 82 -8.212 3.124 3.124 640 2HG2 THR 82 HG23 THR 82 -8.228 2.485 2.485 641 3HG2 THR 82 HG22 THR 82 -7.885 1.415 1.415 642 H GLY 83 HN GLY 83 -12.662 2.286 2.286 643 1HA GLY 83 HA2 GLY 83 -14.167 0.434 0.434 644 2HA GLY 83 HA1 GLY 83 -13.805 -0.318 -0.318 645 HA PRO 84 HA PRO 84 -17.185 2.261 2.261 646 1HB PRO 84 HB2 PRO 84 -17.326 1.150 1.150 647 2HB PRO 84 HB1 PRO 84 -17.874 0.315 0.315 648 1HG PRO 84 HG2 PRO 84 -15.563 -0.227 -0.227 649 2HG PRO 84 HG1 PRO 84 -16.242 -1.227 -1.227 650 1HD PRO 84 HD2 PRO 84 -14.081 0.737 0.737 651 2HD PRO 84 HD1 PRO 84 -14.148 -0.572 -0.572 652 H LYS 85 HN LYS 85 -14.077 2.907 2.907 653 HA LYS 85 HA LYS 85 -14.453 4.449 4.449 654 1HB LYS 85 HB2 LYS 85 -12.046 4.465 4.465 655 2HB LYS 85 HB1 LYS 85 -12.098 4.688 4.688 656 1HG LYS 85 HG2 LYS 85 -12.398 2.126 2.126 657 2HG LYS 85 HG1 LYS 85 -11.229 2.507 2.507 658 1HD LYS 85 HD2 LYS 85 -14.217 2.351 2.351 659 2HD LYS 85 HD1 LYS 85 -13.156 0.992 0.992 660 1HE LYS 85 HE2 LYS 85 -11.666 2.257 2.257 661 2HE LYS 85 HE1 LYS 85 -12.903 3.523 3.523 662 1HZ LYS 85 HZ2 LYS 85 -14.544 1.830 1.830 663 2HZ LYS 85 HZ1 LYS 85 -13.338 0.632 0.632 664 3HZ LYS 85 HZ3 LYS 85 -13.285 1.873 1.873 665 H GLU 86 HN GLU 86 -15.105 4.966 4.966 666 HA GLU 86 HA GLU 86 -14.225 7.718 7.718 667 1HB GLU 86 HB2 GLU 86 -16.283 6.006 6.006 668 2HB GLU 86 HB1 GLU 86 -15.645 7.543 7.543 669 1HG GLU 86 HG2 GLU 86 -13.353 6.442 6.442 670 2HG GLU 86 HG1 GLU 86 -14.248 4.929 4.929 Start of MODEL 2 1 1H LEU 1 HT2 LEU 1 16.036 -10.461 -10.461 2 2H LEU 1 HT1 LEU 1 15.691 -10.057 -10.057 3 3H LEU 1 HT3 LEU 1 14.997 -11.442 -11.442 4 HA LEU 1 HA LEU 1 13.676 -10.108 -10.108 5 1HB LEU 1 HB2 LEU 1 13.356 -10.515 -10.515 6 2HB LEU 1 HB1 LEU 1 13.209 -8.748 -8.748 7 HG LEU 1 HG LEU 1 11.474 -8.903 -8.903 8 1HD1 LEU 1 HD12 LEU 1 12.097 -11.844 -11.844 9 2HD1 LEU 1 HD11 LEU 1 10.451 -11.309 -11.309 10 3HD1 LEU 1 HD13 LEU 1 11.774 -10.814 -10.814 11 1HD2 LEU 1 HD22 LEU 1 11.264 -9.556 -9.556 12 2HD2 LEU 1 HD21 LEU 1 9.938 -9.131 -9.131 13 3HD2 LEU 1 HD23 LEU 1 10.343 -10.825 -10.825 14 H ASP 2 HN ASP 2 12.690 -7.640 -7.640 15 HA ASP 2 HA ASP 2 13.049 -5.390 -5.390 16 1HB ASP 2 HB2 ASP 2 13.984 -5.653 -5.653 17 2HB ASP 2 HB1 ASP 2 15.582 -5.766 -5.766 18 HA PRO 3 HA PRO 3 16.194 -6.398 -6.398 19 1HB PRO 3 HB2 PRO 3 14.487 -6.821 -6.821 20 2HB PRO 3 HB1 PRO 3 14.945 -8.086 -8.086 21 1HG PRO 3 HG2 PRO 3 12.389 -6.675 -6.675 22 2HG PRO 3 HG1 PRO 3 12.743 -8.227 -8.227 23 1HD PRO 3 HD2 PRO 3 12.385 -5.633 -5.633 24 2HD PRO 3 HD1 PRO 3 12.618 -7.188 -7.188 25 H VAL 4 HN VAL 4 13.415 -5.057 -5.057 26 HA VAL 4 HA VAL 4 14.859 -2.666 -2.666 27 HB VAL 4 HB VAL 4 12.046 -3.786 -3.786 28 1HG1 VAL 4 HG12 VAL 4 12.921 -1.032 -1.032 29 2HG1 VAL 4 HG11 VAL 4 11.644 -1.904 -1.904 30 3HG1 VAL 4 HG13 VAL 4 11.457 -1.510 -1.510 31 1HG2 VAL 4 HG21 VAL 4 14.374 -4.094 -4.094 32 2HG2 VAL 4 HG23 VAL 4 12.748 -4.657 -4.657 33 3HG2 VAL 4 HG22 VAL 4 13.299 -3.089 -3.089 34 H ASP 5 HN ASP 5 11.984 -3.265 -3.265 35 HA ASP 5 HA ASP 5 12.755 -1.426 -1.426 36 1HB ASP 5 HB2 ASP 5 11.015 -0.589 -0.589 37 2HB ASP 5 HB1 ASP 5 10.356 -0.215 -0.215 38 HA PRO 6 HA PRO 6 8.957 -3.907 -3.907 39 1HB PRO 6 HB2 PRO 6 6.883 -4.197 -4.197 40 2HB PRO 6 HB1 PRO 6 7.144 -2.711 -2.711 41 1HG PRO 6 HG2 PRO 6 7.504 -3.165 -3.165 42 2HG PRO 6 HG1 PRO 6 7.440 -1.635 -1.635 43 1HD PRO 6 HD2 PRO 6 9.687 -3.208 -3.208 44 2HD PRO 6 HD1 PRO 6 9.574 -1.482 -1.482 45 H ASN 7 HN ASN 7 7.572 -6.122 -6.122 46 HA ASN 7 HA ASN 7 9.736 -7.855 -7.855 47 1HB ASN 7 HB2 ASN 7 6.777 -8.266 -8.266 48 2HB ASN 7 HB1 ASN 7 7.901 -9.580 -9.580 49 1HD2 ASN 7 HD22 ASN 7 7.726 -8.330 -8.330 50 2HD2 ASN 7 HD21 ASN 7 6.547 -7.954 -7.954 51 H ILE 8 HN ILE 8 6.563 -6.909 -6.909 52 HA ILE 8 HA ILE 8 7.720 -7.350 -7.350 53 HB ILE 8 HB ILE 8 5.791 -8.584 -8.584 54 1HG1 ILE 8 HG12 ILE 8 4.094 -7.143 -7.143 55 2HG1 ILE 8 HG11 ILE 8 3.787 -8.861 -8.861 56 1HG2 ILE 8 HG23 ILE 8 6.669 -9.444 -9.444 57 2HG2 ILE 8 HG22 ILE 8 5.671 -10.440 -10.440 58 3HG2 ILE 8 HG21 ILE 8 7.304 -9.993 -9.993 59 1HD1 ILE 8 HD13 ILE 8 5.214 -8.652 -8.652 60 2HD1 ILE 8 HD12 ILE 8 4.681 -6.976 -6.976 61 3HD1 ILE 8 HD11 ILE 8 3.492 -8.275 -8.275 62 H GLU 9 HN GLU 9 6.772 -4.980 -4.980 63 HA GLU 9 HA GLU 9 5.740 -2.879 -2.879 64 1HB GLU 9 HB2 GLU 9 6.568 -3.746 -3.746 65 2HB GLU 9 HB1 GLU 9 5.785 -2.198 -2.198 66 1HG GLU 9 HG2 GLU 9 7.523 -1.615 -1.615 67 2HG GLU 9 HG1 GLU 9 8.322 -3.159 -3.159 68 HA PRO 10 HA PRO 10 1.724 -4.776 -4.776 69 1HB PRO 10 HB2 PRO 10 0.682 -5.357 -5.357 70 2HB PRO 10 HB1 PRO 10 1.753 -6.373 -6.373 71 1HG PRO 10 HG2 PRO 10 2.229 -4.653 -4.653 72 2HG PRO 10 HG1 PRO 10 3.050 -6.246 -6.246 73 1HD PRO 10 HD2 PRO 10 3.936 -3.572 -3.572 74 2HD PRO 10 HD1 PRO 10 4.751 -5.049 -5.049 75 H TRP 11 HN TRP 11 2.405 -1.962 -1.962 76 HA TRP 11 HA TRP 11 0.057 -0.930 -0.930 77 1HB TRP 11 HB2 TRP 11 2.495 0.501 0.501 78 2HB TRP 11 HB1 TRP 11 1.366 1.111 1.111 79 HD1 TRP 11 HD1 TRP 11 4.305 -1.212 -1.212 80 HE1 TRP 11 HE1 TRP 11 4.979 -1.831 -1.831 81 HE3 TRP 11 HE3 TRP 11 0.395 0.834 0.834 82 HZ2 TRP 11 HZ2 TRP 11 3.987 -1.490 -1.490 83 HZ3 TRP 11 HZ3 TRP 11 0.294 0.669 0.669 84 HH2 TRP 11 HH2 TRP 11 2.077 -0.487 -0.487 85 H ASN 12 HN ASN 12 -0.529 -2.129 -2.129 86 HA ASN 12 HA ASN 12 -1.441 0.187 0.187 87 1HB ASN 12 HB2 ASN 12 -0.597 -1.270 -1.270 88 2HB ASN 12 HB1 ASN 12 0.515 -0.233 -0.233 89 1HD2 ASN 12 HD22 ASN 12 2.236 -2.903 -2.903 90 2HD2 ASN 12 HD21 ASN 12 1.804 -1.282 -1.282 91 H HIS 13 HN HIS 13 -3.489 -0.519 -0.519 92 HA HIS 13 HA HIS 13 -4.511 -3.182 -3.182 93 1HB HIS 13 HB2 HIS 13 -5.303 -1.015 -1.015 94 2HB HIS 13 HB1 HIS 13 -6.438 -2.305 -2.305 95 HD1 HIS 13 HD1 HIS 13 -6.195 -3.054 -3.054 96 HD2 HIS 13 HD2 HIS 13 -2.737 -3.471 -3.471 97 HE1 HIS 13 HE1 HIS 13 -4.643 -4.563 -4.563 98 HA PRO 14 HA PRO 14 -6.877 -1.311 -1.311 99 1HB PRO 14 HB2 PRO 14 -8.817 -3.328 -3.328 100 2HB PRO 14 HB1 PRO 14 -7.151 -3.401 -3.401 101 1HG PRO 14 HG2 PRO 14 -8.391 -4.425 -4.425 102 2HG PRO 14 HG1 PRO 14 -7.320 -5.275 -5.275 103 1HD PRO 14 HD2 PRO 14 -6.368 -4.200 -4.200 104 2HD PRO 14 HD1 PRO 14 -5.391 -4.271 -4.271 105 H GLY 15 HN GLY 15 -8.019 -2.033 -2.033 106 1HA GLY 15 HA2 GLY 15 -9.642 -1.085 -1.085 107 2HA GLY 15 HA1 GLY 15 -9.949 0.135 0.135 108 H SER 16 HN SER 16 -10.034 -3.215 -3.215 109 HA SER 16 HA SER 16 -13.004 -3.347 -3.347 110 1HB SER 16 HB2 SER 16 -11.267 -3.161 -3.161 111 2HB SER 16 HB1 SER 16 -12.569 -4.369 -4.369 112 HG SER 16 HG SER 16 -13.274 -2.328 -2.328 113 H GLN 17 HN GLN 17 -10.091 -4.866 -4.866 114 HA GLN 17 HA GLN 17 -11.386 -7.548 -7.548 115 1HB GLN 17 HB2 GLN 17 -8.702 -6.749 -6.749 116 2HB GLN 17 HB1 GLN 17 -9.159 -8.400 -8.400 117 1HG GLN 17 HG2 GLN 17 -10.594 -8.746 -8.746 118 2HG GLN 17 HG1 GLN 17 -11.149 -7.079 -7.079 119 1HE2 GLN 17 HE22 GLN 17 -8.755 -6.069 -6.069 120 2HE2 GLN 17 HE21 GLN 17 -9.895 -5.531 -5.531 121 HA PRO 18 HA PRO 18 -7.909 -7.843 -7.843 122 1HB PRO 18 HB2 PRO 18 -6.304 -5.665 -5.665 123 2HB PRO 18 HB1 PRO 18 -5.907 -6.951 -6.951 124 1HG PRO 18 HG2 PRO 18 -7.167 -4.283 -4.283 125 2HG PRO 18 HG1 PRO 18 -5.871 -5.097 -5.097 126 1HD PRO 18 HD2 PRO 18 -8.358 -5.002 -5.002 127 2HD PRO 18 HD1 PRO 18 -7.356 -6.460 -6.460 128 H LYS 19 HN LYS 19 -9.546 -4.757 -4.757 129 HA LYS 19 HA LYS 19 -10.255 -4.764 -4.764 130 1HB LYS 19 HB2 LYS 19 -10.101 -2.309 -2.309 131 2HB LYS 19 HB1 LYS 19 -8.578 -3.038 -3.038 132 1HG LYS 19 HG2 LYS 19 -8.955 -2.582 -2.582 133 2HG LYS 19 HG1 LYS 19 -10.684 -2.260 -2.260 134 1HD LYS 19 HD2 LYS 19 -8.986 -0.508 -0.508 135 2HD LYS 19 HD1 LYS 19 -8.617 -0.387 -0.387 136 1HE LYS 19 HE2 LYS 19 -11.175 -0.171 -0.171 137 2HE LYS 19 HE1 LYS 19 -11.266 0.110 0.110 138 1HZ LYS 19 HZ3 LYS 19 -9.499 1.807 1.807 139 2HZ LYS 19 HZ2 LYS 19 -9.606 1.603 1.603 140 3HZ LYS 19 HZ1 LYS 19 -10.934 2.207 2.207 141 H THR 20 HN THR 20 -11.667 -5.791 -5.791 142 HA THR 20 HA THR 20 -14.281 -4.512 -4.512 143 HB THR 20 HB THR 20 -12.732 -4.320 -4.320 144 HG1 THR 20 HG1 THR 20 -14.227 -2.486 -2.486 145 1HG2 THR 20 HG21 THR 20 -15.715 -4.318 -4.318 146 2HG2 THR 20 HG23 THR 20 -14.988 -3.364 -3.364 147 3HG2 THR 20 HG22 THR 20 -14.772 -5.115 -5.115 148 H ALA 21 HN ALA 21 -12.431 -7.060 -7.060 149 HA ALA 21 HA ALA 21 -14.695 -8.497 -8.497 150 1HB ALA 21 HB2 ALA 21 -11.862 -9.289 -9.289 151 2HB ALA 21 HB1 ALA 21 -12.976 -10.350 -10.350 152 3HB ALA 21 HB3 ALA 21 -12.472 -8.827 -8.827 153 H CYS 22 HN CYS 22 -15.900 -8.151 -8.151 154 HA CYS 22 HA CYS 22 -16.867 -9.148 -9.148 155 1HB CYS 22 HB2 CYS 22 -16.501 -10.814 -10.814 156 2HB CYS 22 HB1 CYS 22 -15.775 -11.829 -11.829 157 HG CYS 22 HG CYS 22 -18.366 -12.294 -12.294 158 H ASN 23 HN ASN 23 -13.785 -8.456 -8.456 159 HA ASN 23 HA ASN 23 -12.614 -10.243 -10.243 160 1HB ASN 23 HB2 ASN 23 -10.689 -8.984 -8.984 161 2HB ASN 23 HB1 ASN 23 -11.628 -8.633 -8.633 162 1HD2 ASN 23 HD22 ASN 23 -12.646 -5.353 -5.353 163 2HD2 ASN 23 HD21 ASN 23 -13.452 -6.732 -6.732 164 H ARG 24 HN ARG 24 -11.419 -8.140 -8.140 165 HA ARG 24 HA ARG 24 -13.781 -7.125 -7.125 166 1HB ARG 24 HB2 ARG 24 -12.474 -7.769 -7.769 167 2HB ARG 24 HB1 ARG 24 -12.822 -9.061 -9.061 168 1HG ARG 24 HG2 ARG 24 -10.340 -8.334 -8.334 169 2HG ARG 24 HG1 ARG 24 -10.208 -7.939 -7.939 170 1HD ARG 24 HD2 ARG 24 -9.598 -10.086 -10.086 171 2HD ARG 24 HD1 ARG 24 -11.384 -10.335 -10.335 172 HE ARG 24 HE ARG 24 -11.081 -10.121 -10.121 173 1HH1 ARG 24 HH21 ARG 24 -8.272 -10.643 -10.643 174 2HH1 ARG 24 HH22 ARG 24 -8.146 -12.370 -12.370 175 1HH2 ARG 24 HH11 ARG 24 -11.326 -12.886 -12.886 176 2HH2 ARG 24 HH12 ARG 24 -9.879 -13.642 -13.642 177 H CYS 25 HN CYS 25 -10.222 -6.694 -6.694 178 HA CYS 25 HA CYS 25 -9.035 -4.695 -4.695 179 1HB CYS 25 HB2 CYS 25 -11.449 -3.992 -3.992 180 2HB CYS 25 HB1 CYS 25 -11.394 -3.044 -3.044 181 HG CYS 25 HG CYS 25 -10.397 -1.603 -1.603 182 H HIS 26 HN HIS 26 -9.299 -6.104 -6.104 183 HA HIS 26 HA HIS 26 -7.958 -4.125 -4.125 184 1HB HIS 26 HB2 HIS 26 -9.752 -4.748 -4.748 185 2HB HIS 26 HB1 HIS 26 -9.933 -3.390 -3.390 186 HD1 HIS 26 HD1 HIS 26 -11.523 -6.581 -6.581 187 HD2 HIS 26 HD2 HIS 26 -11.729 -3.978 -3.978 188 HE1 HIS 26 HE1 HIS 26 -13.607 -7.209 -7.209 189 H CYS 27 HN CYS 27 -9.815 -7.161 -7.161 190 HA CYS 27 HA CYS 27 -7.875 -8.380 -8.380 191 1HB CYS 27 HB2 CYS 27 -10.049 -9.368 -9.368 192 2HB CYS 27 HB1 CYS 27 -9.057 -10.511 -10.511 193 HG CYS 27 HG CYS 27 -11.345 -8.955 -8.955 194 H LYS 28 HN LYS 28 -8.023 -7.964 -7.964 195 HA LYS 28 HA LYS 28 -6.353 -9.941 -9.941 196 1HB LYS 28 HB2 LYS 28 -7.526 -8.498 -8.498 197 2HB LYS 28 HB1 LYS 28 -6.947 -7.048 -7.048 198 1HG LYS 28 HG2 LYS 28 -4.655 -7.562 -7.562 199 2HG LYS 28 HG1 LYS 28 -5.324 -9.068 -9.068 200 1HD LYS 28 HD2 LYS 28 -5.335 -7.440 -7.440 201 2HD LYS 28 HD1 LYS 28 -7.001 -7.723 -7.723 202 1HE LYS 28 HE2 LYS 28 -6.786 -5.657 -5.657 203 2HE LYS 28 HE1 LYS 28 -5.232 -5.356 -5.356 204 1HZ LYS 28 HZ1 LYS 28 -6.458 -5.529 -5.529 205 2HZ LYS 28 HZ3 LYS 28 -7.911 -5.663 -5.663 206 3HZ LYS 28 HZ2 LYS 28 -6.998 -4.234 -4.234 207 H LYS 29 HN LYS 29 -5.449 -6.985 -6.985 208 HA LYS 29 HA LYS 29 -2.743 -8.054 -8.054 209 1HB LYS 29 HB2 LYS 29 -1.588 -6.426 -6.426 210 2HB LYS 29 HB1 LYS 29 -2.914 -6.831 -6.831 211 1HG LYS 29 HG2 LYS 29 -2.694 -4.384 -4.384 212 2HG LYS 29 HG1 LYS 29 -2.727 -4.446 -4.446 213 1HD LYS 29 HD2 LYS 29 -5.069 -5.526 -5.526 214 2HD LYS 29 HD1 LYS 29 -4.897 -5.017 -5.017 215 1HE LYS 29 HE2 LYS 29 -6.152 -3.308 -3.308 216 2HE LYS 29 HE1 LYS 29 -4.563 -2.656 -2.656 217 1HZ LYS 29 HZ3 LYS 29 -5.149 -4.039 -4.039 218 2HZ LYS 29 HZ2 LYS 29 -5.344 -2.362 -2.362 219 3HZ LYS 29 HZ1 LYS 29 -3.809 -3.066 -3.066 220 H CYS 30 HN CYS 30 -5.284 -6.827 -6.827 221 HA CYS 30 HA CYS 30 -4.038 -4.554 -4.554 222 1HB CYS 30 HB2 CYS 30 -6.412 -4.547 -4.547 223 2HB CYS 30 HB1 CYS 30 -6.742 -5.913 -5.913 224 HG CYS 30 HG CYS 30 -7.302 -3.823 -3.823 225 H CYS 31 HN CYS 31 -2.602 -5.111 -5.111 226 HA CYS 31 HA CYS 31 -3.278 -6.364 -6.364 227 1HB CYS 31 HB2 CYS 31 -3.522 -8.456 -8.456 228 2HB CYS 31 HB1 CYS 31 -2.009 -8.186 -8.186 229 HG CYS 31 HG CYS 31 -1.254 -9.689 -9.689 230 H TYR 32 HN TYR 32 -0.781 -5.713 -5.713 231 HA TYR 32 HA TYR 32 1.120 -5.015 -5.015 232 1HB TYR 32 HB2 TYR 32 2.579 -5.446 -5.446 233 2HB TYR 32 HB1 TYR 32 2.544 -6.372 -6.372 234 HD1 TYR 32 HD1 TYR 32 0.396 -5.992 -5.992 235 HD2 TYR 32 HD2 TYR 32 2.028 -8.576 -8.576 236 HE1 TYR 32 HE1 TYR 32 -0.663 -7.944 -7.944 237 HE2 TYR 32 HE2 TYR 32 0.965 -10.528 -10.528 238 HH TYR 32 HH TYR 32 -1.393 -10.549 -10.549 239 H HIS 33 HN HIS 33 -0.895 -3.329 -3.329 240 HA HIS 33 HA HIS 33 -1.227 -1.108 -1.108 241 1HB HIS 33 HB2 HIS 33 1.783 -1.131 -1.131 242 2HB HIS 33 HB1 HIS 33 0.724 0.267 0.267 243 HD1 HIS 33 HD1 HIS 33 0.060 1.026 1.026 244 HD2 HIS 33 HD2 HIS 33 2.247 -2.520 -2.520 245 HE1 HIS 33 HE1 HIS 33 0.662 0.574 0.574 246 H CYS 34 HN CYS 34 -0.882 -3.537 -3.537 247 HA CYS 34 HA CYS 34 -1.206 -3.876 -3.876 248 1HB CYS 34 HB2 CYS 34 -3.148 -2.756 -2.756 249 2HB CYS 34 HB1 CYS 34 -2.404 -1.216 -1.216 250 HG CYS 34 HG CYS 34 -3.167 -0.968 -0.968 251 H GLN 35 HN GLN 35 0.885 -4.086 -4.086 252 HA GLN 35 HA GLN 35 2.163 -1.563 -1.563 253 1HB GLN 35 HB2 GLN 35 3.391 -4.229 -4.229 254 2HB GLN 35 HB1 GLN 35 4.266 -2.818 -2.818 255 1HG GLN 35 HG2 GLN 35 2.712 -2.974 -2.974 256 2HG GLN 35 HG1 GLN 35 4.465 -2.770 -2.770 257 1HE2 GLN 35 HE22 GLN 35 2.255 0.501 0.501 258 2HE2 GLN 35 HE21 GLN 35 1.783 -1.032 -1.032 259 H VAL 36 HN VAL 36 0.360 -4.129 -4.129 260 HA VAL 36 HA VAL 36 0.166 -5.278 -5.278 261 HB VAL 36 HB VAL 36 1.325 -2.670 -2.670 262 1HG1 VAL 36 HG11 VAL 36 0.221 -4.852 -4.852 263 2HG1 VAL 36 HG13 VAL 36 -1.003 -3.582 -3.582 264 3HG1 VAL 36 HG12 VAL 36 0.618 -3.259 -3.259 265 1HG2 VAL 36 HG22 VAL 36 -1.484 -3.153 -3.153 266 2HG2 VAL 36 HG21 VAL 36 -0.309 -2.021 -2.021 267 3HG2 VAL 36 HG23 VAL 36 -0.966 -1.758 -1.758 268 H CYS 37 HN CYS 37 2.238 -6.518 -6.518 269 HA CYS 37 HA CYS 37 4.393 -7.437 -7.437 270 1HB CYS 37 HB2 CYS 37 3.001 -7.136 -7.136 271 2HB CYS 37 HB1 CYS 37 4.555 -7.954 -7.954 272 HG CYS 37 HG CYS 37 2.390 -9.580 -9.580 273 H PHE 38 HN PHE 38 5.176 -5.061 -5.061 274 HA PHE 38 HA PHE 38 6.508 -3.675 -3.675 275 1HB PHE 38 HB2 PHE 38 6.726 -1.841 -1.841 276 2HB PHE 38 HB1 PHE 38 5.120 -2.526 -2.526 277 HD1 PHE 38 HD1 PHE 38 6.536 -4.982 -4.982 278 HD2 PHE 38 HD2 PHE 38 6.611 -0.691 -0.691 279 HE1 PHE 38 HE1 PHE 38 7.116 -5.113 -5.113 280 HE2 PHE 38 HE2 PHE 38 7.198 -0.831 -0.831 281 HZ PHE 38 HZ PHE 38 7.454 -3.041 -3.041 282 H ILE 39 HN ILE 39 8.542 -2.861 -2.861 283 HA ILE 39 HA ILE 39 10.805 -4.191 -4.191 284 HB ILE 39 HB ILE 39 10.240 -3.136 -3.136 285 1HG1 ILE 39 HG12 ILE 39 9.923 -1.756 -1.756 286 2HG1 ILE 39 HG11 ILE 39 10.398 -1.039 -1.039 287 1HG2 ILE 39 HG22 ILE 39 12.769 -3.823 -3.823 288 2HG2 ILE 39 HG21 ILE 39 12.777 -2.585 -2.585 289 3HG2 ILE 39 HG23 ILE 39 12.304 -4.239 -4.239 290 1HD1 ILE 39 HD11 ILE 39 12.262 -2.159 -2.159 291 2HD1 ILE 39 HD13 ILE 39 11.858 -0.450 -0.450 292 3HD1 ILE 39 HD12 ILE 39 12.802 -1.239 -1.239 293 H THR 40 HN THR 40 9.547 -4.915 -4.915 294 HA THR 40 HA THR 40 10.749 -7.615 -7.615 295 HB THR 40 HB THR 40 10.905 -5.874 -5.874 296 HG1 THR 40 HG1 THR 40 10.164 -8.538 -8.538 297 1HG2 THR 40 HG23 THR 40 8.158 -7.041 -7.041 298 2HG2 THR 40 HG22 THR 40 9.101 -6.387 -6.387 299 3HG2 THR 40 HG21 THR 40 8.638 -5.346 -5.346 300 H LYS 41 HN LYS 41 9.514 -9.524 -9.524 301 HA LYS 41 HA LYS 41 6.916 -9.721 -9.721 302 1HB LYS 41 HB2 LYS 41 7.069 -12.063 -12.063 303 2HB LYS 41 HB1 LYS 41 8.554 -11.532 -11.532 304 1HG LYS 41 HG2 LYS 41 9.733 -12.041 -12.041 305 2HG LYS 41 HG1 LYS 41 8.885 -10.852 -10.852 306 1HD LYS 41 HD2 LYS 41 7.735 -13.610 -13.610 307 2HD LYS 41 HD1 LYS 41 8.858 -13.332 -13.332 308 1HE LYS 41 HE2 LYS 41 6.321 -11.656 -11.656 309 2HE LYS 41 HE1 LYS 41 6.355 -13.175 -13.175 310 1HZ LYS 41 HZ2 LYS 41 8.199 -10.870 -10.870 311 2HZ LYS 41 HZ1 LYS 41 6.876 -11.261 -11.261 312 3HZ LYS 41 HZ3 LYS 41 8.196 -12.319 -12.319 313 H GLY 42 HN GLY 42 7.981 -9.220 -9.220 314 1HA GLY 42 HA2 GLY 42 5.501 -9.980 -9.980 315 2HA GLY 42 HA1 GLY 42 6.812 -9.010 -9.010 316 H LEU 43 HN LEU 43 6.350 -7.335 -7.335 317 HA LEU 43 HA LEU 43 5.196 -5.446 -5.446 318 1HB LEU 43 HB2 LEU 43 2.957 -6.799 -6.799 319 2HB LEU 43 HB1 LEU 43 2.761 -5.468 -5.468 320 HG LEU 43 HG LEU 43 4.025 -8.101 -8.101 321 1HD1 LEU 43 HD11 LEU 43 1.178 -7.194 -7.194 322 2HD1 LEU 43 HD13 LEU 43 1.906 -8.356 -8.356 323 3HD1 LEU 43 HD12 LEU 43 1.797 -8.730 -8.730 324 1HD2 LEU 43 HD23 LEU 43 4.722 -6.168 -6.168 325 2HD2 LEU 43 HD22 LEU 43 3.721 -7.271 -7.271 326 3HD2 LEU 43 HD21 LEU 43 3.031 -5.775 -5.775 327 H GLY 44 HN GLY 44 6.897 -4.894 -4.894 328 1HA GLY 44 HA2 GLY 44 7.274 -3.067 -3.067 329 2HA GLY 44 HA1 GLY 44 5.579 -2.639 -2.639 330 H ILE 45 HN ILE 45 6.342 -5.867 -5.867 331 HA ILE 45 HA ILE 45 4.686 -5.666 -5.666 332 HB ILE 45 HB ILE 45 6.095 -7.735 -7.735 333 1HG1 ILE 45 HG12 ILE 45 7.051 -8.464 -8.464 334 2HG1 ILE 45 HG11 ILE 45 7.673 -6.813 -6.813 335 1HG2 ILE 45 HG21 ILE 45 4.177 -7.319 -7.319 336 2HG2 ILE 45 HG23 ILE 45 5.160 -8.761 -8.761 337 3HG2 ILE 45 HG22 ILE 45 4.224 -8.578 -8.578 338 1HD1 ILE 45 HD13 ILE 45 7.932 -8.305 -8.305 339 2HD1 ILE 45 HD12 ILE 45 8.579 -9.263 -9.263 340 3HD1 ILE 45 HD11 ILE 45 9.212 -7.647 -7.647 341 H SER 46 HN SER 46 8.299 -5.693 -5.693 342 HA SER 46 HA SER 46 8.505 -3.587 -3.587 343 1HB SER 46 HB2 SER 46 9.281 -5.045 -5.045 344 2HB SER 46 HB1 SER 46 7.624 -5.416 -5.416 345 HG SER 46 HG SER 46 9.925 -6.913 -6.913 346 H TYR 47 HN TYR 47 9.838 -4.806 -4.806 347 HA TYR 47 HA TYR 47 12.600 -5.319 -5.319 348 1HB TYR 47 HB2 TYR 47 12.930 -5.788 -5.788 349 2HB TYR 47 HB1 TYR 47 11.255 -6.268 -6.268 350 HD1 TYR 47 HD1 TYR 47 9.367 -5.101 -5.101 351 HD2 TYR 47 HD2 TYR 47 13.345 -3.714 -3.714 352 HE1 TYR 47 HE1 TYR 47 8.476 -3.588 -3.588 353 HE2 TYR 47 HE2 TYR 47 12.445 -2.187 -2.187 354 HH TYR 47 HH TYR 47 9.939 -2.395 -2.395 355 H GLY 48 HN GLY 48 10.759 -2.482 -2.482 356 1HA GLY 48 HA2 GLY 48 11.789 -0.304 -0.304 357 2HA GLY 48 HA1 GLY 48 13.269 -0.858 -0.858 358 H ARG 49 HN ARG 49 9.798 -0.622 -0.622 359 HA ARG 49 HA ARG 49 10.289 -0.327 -0.327 360 1HB ARG 49 HB2 ARG 49 7.923 -0.165 -0.165 361 2HB ARG 49 HB1 ARG 49 8.329 -1.392 -1.392 362 1HG ARG 49 HG2 ARG 49 8.062 0.410 0.410 363 2HG ARG 49 HG1 ARG 49 7.445 1.471 1.471 364 1HD ARG 49 HD2 ARG 49 6.450 -1.221 -1.221 365 2HD ARG 49 HD1 ARG 49 5.599 0.268 0.268 366 HE ARG 49 HE ARG 49 5.978 -0.639 -0.639 367 1HH1 ARG 49 HH21 ARG 49 5.505 1.567 1.567 368 2HH1 ARG 49 HH22 ARG 49 3.942 2.197 2.197 369 1HH2 ARG 49 HH11 ARG 49 3.502 0.094 0.094 370 2HH2 ARG 49 HH12 ARG 49 2.806 1.362 1.362 371 H LYS 50 HN LYS 50 9.557 1.520 1.520 372 HA LYS 50 HA LYS 50 9.555 4.154 4.154 373 1HB LYS 50 HB2 LYS 50 11.210 4.967 4.967 374 2HB LYS 50 HB1 LYS 50 11.853 3.554 3.554 375 1HG LYS 50 HG2 LYS 50 10.303 2.921 2.921 376 2HG LYS 50 HG1 LYS 50 11.741 3.892 3.892 377 1HD LYS 50 HD2 LYS 50 13.091 2.231 2.231 378 2HD LYS 50 HD1 LYS 50 11.640 1.272 1.272 379 1HE LYS 50 HE2 LYS 50 11.396 0.631 0.631 380 2HE LYS 50 HE1 LYS 50 12.391 1.963 1.963 381 1HZ LYS 50 HZ2 LYS 50 14.236 0.943 0.943 382 2HZ LYS 50 HZ1 LYS 50 13.249 -0.437 -0.437 383 3HZ LYS 50 HZ3 LYS 50 13.799 0.089 0.089 384 H LYS 51 HN LYS 51 7.667 2.243 2.243 385 HA LYS 51 HA LYS 51 5.860 2.492 2.492 386 1HB LYS 51 HB2 LYS 51 6.355 5.467 5.467 387 2HB LYS 51 HB1 LYS 51 4.829 4.598 4.598 388 1HG LYS 51 HG2 LYS 51 5.492 3.802 3.802 389 2HG LYS 51 HG1 LYS 51 6.771 5.013 5.013 390 1HD LYS 51 HD2 LYS 51 3.846 5.643 5.643 391 2HD LYS 51 HD1 LYS 51 4.806 5.947 5.947 392 1HE LYS 51 HE2 LYS 51 6.319 7.415 7.415 393 2HE LYS 51 HE1 LYS 51 5.374 7.095 7.095 394 1HZ LYS 51 HZ2 LYS 51 3.379 7.902 7.902 395 2HZ LYS 51 HZ1 LYS 51 4.282 8.253 8.253 396 3HZ LYS 51 HZ3 LYS 51 4.566 9.118 9.118 397 H ARG 52 HN ARG 52 8.244 1.837 1.837 398 HA ARG 52 HA ARG 52 9.611 1.981 1.981 399 1HB ARG 52 HB2 ARG 52 8.115 2.455 2.455 400 2HB ARG 52 HB1 ARG 52 7.693 1.012 1.012 401 1HG ARG 52 HG2 ARG 52 6.415 3.830 3.830 402 2HG ARG 52 HG1 ARG 52 5.983 2.682 2.682 403 1HD ARG 52 HD2 ARG 52 5.025 1.121 1.121 404 2HD ARG 52 HD1 ARG 52 5.955 1.581 1.581 405 HE ARG 52 HE ARG 52 4.488 3.852 3.852 406 1HH1 ARG 52 HH21 ARG 52 2.288 2.316 2.316 407 2HH1 ARG 52 HH22 ARG 52 1.392 1.813 1.813 408 1HH2 ARG 52 HH11 ARG 52 3.980 2.442 2.442 409 2HH2 ARG 52 HH12 ARG 52 2.350 1.889 1.889 410 H ARG 53 HN ARG 53 9.103 4.648 4.648 411 HA ARG 53 HA ARG 53 9.395 6.974 6.974 412 1HB ARG 53 HB2 ARG 53 11.436 5.418 5.418 413 2HB ARG 53 HB1 ARG 53 11.598 6.142 6.142 414 1HG ARG 53 HG2 ARG 53 11.122 8.326 8.326 415 2HG ARG 53 HG1 ARG 53 11.956 7.235 7.235 416 1HD ARG 53 HD2 ARG 53 13.901 7.141 7.141 417 2HD ARG 53 HD1 ARG 53 13.031 8.039 8.039 418 HE ARG 53 HE ARG 53 12.811 9.796 9.796 419 1HH1 ARG 53 HH21 ARG 53 14.833 8.896 8.896 420 2HH1 ARG 53 HH22 ARG 53 16.312 9.542 9.542 421 1HH2 ARG 53 HH11 ARG 53 15.002 10.189 10.189 422 2HH2 ARG 53 HH12 ARG 53 16.409 10.276 10.276 423 H GLN 54 HN GLN 54 7.442 5.755 5.755 424 HA GLN 54 HA GLN 54 6.315 6.030 6.030 425 1HB GLN 54 HB2 GLN 54 7.428 8.864 8.864 426 2HB GLN 54 HB1 GLN 54 6.057 8.027 8.027 427 1HG GLN 54 HG2 GLN 54 6.509 8.112 8.112 428 2HG GLN 54 HG1 GLN 54 5.345 9.205 9.205 429 1HE2 GLN 54 HE22 GLN 54 3.138 6.379 6.379 430 2HE2 GLN 54 HE21 GLN 54 3.723 7.798 7.798 431 H ARG 55 HN ARG 55 8.419 4.645 4.645 432 HA ARG 55 HA ARG 55 10.375 5.899 5.899 433 1HB ARG 55 HB2 ARG 55 9.239 3.107 3.107 434 2HB ARG 55 HB1 ARG 55 10.513 3.470 3.470 435 1HG ARG 55 HG2 ARG 55 10.844 4.395 4.395 436 2HG ARG 55 HG1 ARG 55 11.119 2.689 2.689 437 1HD ARG 55 HD2 ARG 55 12.786 3.528 3.528 438 2HD ARG 55 HD1 ARG 55 12.444 5.167 5.167 439 HE ARG 55 HE ARG 55 13.065 3.416 3.416 440 1HH1 ARG 55 HH11 ARG 55 14.085 6.227 6.227 441 2HH1 ARG 55 HH12 ARG 55 15.776 5.968 5.968 442 1HH2 ARG 55 HH21 ARG 55 15.410 2.598 2.598 443 2HH2 ARG 55 HH22 ARG 55 16.529 3.907 3.907 444 H ARG 56 HN ARG 56 7.021 5.556 5.556 445 HA ARG 56 HA ARG 56 7.368 6.028 6.028 446 1HB ARG 56 HB2 ARG 56 5.579 4.467 4.467 447 2HB ARG 56 HB1 ARG 56 6.773 3.675 3.675 448 1HG ARG 56 HG2 ARG 56 4.445 5.097 5.097 449 2HG ARG 56 HG1 ARG 56 4.195 3.515 3.515 450 1HD ARG 56 HD2 ARG 56 6.571 3.239 3.239 451 2HD ARG 56 HD1 ARG 56 5.547 4.305 4.305 452 HE ARG 56 HE ARG 56 4.101 2.025 2.025 453 1HH1 ARG 56 HH21 ARG 56 3.115 2.967 2.967 454 2HH1 ARG 56 HH22 ARG 56 3.826 1.918 1.918 455 1HH2 ARG 56 HH11 ARG 56 6.313 0.766 0.766 456 2HH2 ARG 56 HH12 ARG 56 5.644 0.667 0.667 457 H ARG 57 HN ARG 57 6.903 7.914 7.914 458 HA ARG 57 HA ARG 57 4.189 8.681 8.681 459 1HB ARG 57 HB2 ARG 57 6.283 9.442 9.442 460 2HB ARG 57 HB1 ARG 57 6.608 10.516 10.516 461 1HG ARG 57 HG2 ARG 57 5.432 11.827 11.827 462 2HG ARG 57 HG1 ARG 57 4.243 11.419 11.419 463 1HD ARG 57 HD2 ARG 57 3.418 9.548 9.548 464 2HD ARG 57 HD1 ARG 57 4.596 9.996 9.996 465 HE ARG 57 HE ARG 57 3.180 11.799 11.799 466 1HH1 ARG 57 HH21 ARG 57 2.992 13.781 13.781 467 2HH1 ARG 57 HH22 ARG 57 1.553 13.586 13.586 468 1HH2 ARG 57 HH11 ARG 57 1.157 10.233 10.233 469 2HH2 ARG 57 HH12 ARG 57 0.511 11.574 11.574 470 HA PRO 58 HA PRO 58 4.788 11.588 11.588 471 1HB PRO 58 HB2 PRO 58 6.758 10.968 10.968 472 2HB PRO 58 HB1 PRO 58 7.001 12.043 12.043 473 1HG PRO 58 HG2 PRO 58 7.746 9.176 9.176 474 2HG PRO 58 HG1 PRO 58 8.630 10.490 10.490 475 1HD PRO 58 HD2 PRO 58 7.200 8.576 8.576 476 2HD PRO 58 HD1 PRO 58 7.546 10.106 10.106 477 H SER 59 HN SER 59 5.082 8.111 8.111 478 HA SER 59 HA SER 59 3.899 7.963 7.963 479 1HB SER 59 HB2 SER 59 4.861 5.956 5.956 480 2HB SER 59 HB1 SER 59 4.112 5.472 5.472 481 HG SER 59 HG SER 59 6.319 5.558 5.558 482 H GLN 60 HN GLN 60 1.700 8.192 8.192 483 HA GLN 60 HA GLN 60 -0.061 6.709 6.709 484 1HB GLN 60 HB2 GLN 60 0.096 9.711 9.711 485 2HB GLN 60 HB1 GLN 60 -1.430 8.896 8.896 486 1HG GLN 60 HG2 GLN 60 -0.507 7.800 7.800 487 2HG GLN 60 HG1 GLN 60 1.081 8.427 8.427 488 1HE2 GLN 60 HE22 GLN 60 0.635 11.325 11.325 489 2HE2 GLN 60 HE21 GLN 60 1.618 9.986 9.986 490 H GLY 61 HN GLY 61 0.710 6.894 6.894 491 1HA GLY 61 HA2 GLY 61 -1.767 7.666 7.666 492 2HA GLY 61 HA1 GLY 61 -0.418 6.810 6.810 493 H GLY 62 HN GLY 62 -3.402 6.532 6.532 494 1HA GLY 62 HA2 GLY 62 -4.875 4.725 4.725 495 2HA GLY 62 HA1 GLY 62 -4.024 3.928 3.928 496 H GLN 63 HN GLN 63 -2.334 5.038 5.038 497 HA GLN 63 HA GLN 63 -1.235 2.391 2.391 498 1HB GLN 63 HB2 GLN 63 -1.170 5.079 5.079 499 2HB GLN 63 HB1 GLN 63 -0.368 3.675 3.675 500 1HG GLN 63 HG2 GLN 63 0.002 4.884 4.884 501 2HG GLN 63 HG1 GLN 63 1.117 5.082 5.082 502 1HE2 GLN 63 HE22 GLN 63 1.716 1.295 1.295 503 2HE2 GLN 63 HE21 GLN 63 0.885 2.233 2.233 504 H THR 64 HN THR 64 -3.952 4.224 4.224 505 HA THR 64 HA THR 64 -5.446 3.775 3.775 506 HB THR 64 HB THR 64 -4.690 0.996 0.996 507 HG1 THR 64 HG1 THR 64 -6.744 2.766 2.766 508 1HG2 THR 64 HG22 THR 64 -6.872 2.093 2.093 509 2HG2 THR 64 HG21 THR 64 -7.202 0.677 0.677 510 3HG2 THR 64 HG23 THR 64 -5.915 0.626 0.626 511 H HIS 65 HN HIS 65 -2.969 4.401 4.401 512 HA HIS 65 HA HIS 65 -1.755 2.372 2.372 513 1HB HIS 65 HB2 HIS 65 -1.629 5.330 5.330 514 2HB HIS 65 HB1 HIS 65 -0.904 4.562 4.562 515 HD1 HIS 65 HD1 HIS 65 0.605 6.051 6.051 516 HD2 HIS 65 HD2 HIS 65 0.100 1.914 1.914 517 HE1 HIS 65 HE1 HIS 65 2.386 4.984 4.984 518 H GLN 66 HN GLN 66 -1.547 3.133 3.133 519 HA GLN 66 HA GLN 66 -4.325 3.491 3.491 520 1HB GLN 66 HB2 GLN 66 -2.108 1.622 1.622 521 2HB GLN 66 HB1 GLN 66 -3.511 1.808 1.808 522 1HG GLN 66 HG2 GLN 66 -4.630 0.346 0.346 523 2HG GLN 66 HG1 GLN 66 -4.555 1.456 1.456 524 1HE2 GLN 66 HE22 GLN 66 -1.663 -0.285 -0.285 525 2HE2 GLN 66 HE21 GLN 66 -2.242 1.285 1.285 526 H ASP 67 HN ASP 67 -0.928 3.467 3.467 527 HA ASP 67 HA ASP 67 -1.521 5.296 5.296 528 1HB ASP 67 HB2 ASP 67 0.078 3.526 3.526 529 2HB ASP 67 HB1 ASP 67 0.968 4.108 4.108 530 HA PRO 68 HA PRO 68 1.106 8.300 8.300 531 1HB PRO 68 HB2 PRO 68 1.201 7.865 7.865 532 2HB PRO 68 HB1 PRO 68 2.404 7.212 7.212 533 1HG PRO 68 HG2 PRO 68 0.082 5.996 5.996 534 2HG PRO 68 HG1 PRO 68 1.642 5.218 5.218 535 1HD PRO 68 HD2 PRO 68 -0.551 4.738 4.738 536 2HD PRO 68 HD1 PRO 68 1.098 4.633 4.633 537 H ILE 69 HN ILE 69 -1.764 6.964 6.964 538 HA ILE 69 HA ILE 69 -2.705 9.805 9.805 539 HB ILE 69 HB ILE 69 -3.101 9.567 9.567 540 1HG1 ILE 69 HG12 ILE 69 -4.783 7.861 7.861 541 2HG1 ILE 69 HG11 ILE 69 -3.381 7.289 7.289 542 1HG2 ILE 69 HG21 ILE 69 -0.701 9.008 9.008 543 2HG2 ILE 69 HG23 ILE 69 -1.129 7.295 7.295 544 3HG2 ILE 69 HG22 ILE 69 -1.334 8.306 8.306 545 1HD1 ILE 69 HD12 ILE 69 -2.603 6.118 6.118 546 2HD1 ILE 69 HD11 ILE 69 -4.255 6.326 6.326 547 3HD1 ILE 69 HD13 ILE 69 -3.947 5.410 5.410 548 HA PRO 70 HA PRO 70 -5.940 6.831 6.831 549 1HB PRO 70 HB2 PRO 70 -5.844 7.865 7.865 550 2HB PRO 70 HB1 PRO 70 -4.947 6.404 6.404 551 1HG PRO 70 HG2 PRO 70 -4.100 9.280 9.280 552 2HG PRO 70 HG1 PRO 70 -3.227 7.816 7.816 553 1HD PRO 70 HD2 PRO 70 -2.593 9.152 9.152 554 2HD PRO 70 HD1 PRO 70 -2.550 7.357 7.357 555 H LYS 71 HN LYS 71 -5.233 10.180 10.180 556 HA LYS 71 HA LYS 71 -7.709 11.233 11.233 557 1HB LYS 71 HB2 LYS 71 -6.907 13.308 13.308 558 2HB LYS 71 HB1 LYS 71 -5.742 12.606 12.606 559 1HG LYS 71 HG2 LYS 71 -5.180 11.369 11.369 560 2HG LYS 71 HG1 LYS 71 -5.538 13.059 13.059 561 1HD LYS 71 HD2 LYS 71 -3.260 12.907 12.907 562 2HD LYS 71 HD1 LYS 71 -3.933 13.758 13.758 563 1HE LYS 71 HE2 LYS 71 -3.758 11.733 11.733 564 2HE LYS 71 HE1 LYS 71 -3.307 10.767 10.767 565 1HZ LYS 71 HZ2 LYS 71 -1.797 13.122 13.122 566 2HZ LYS 71 HZ1 LYS 71 -1.354 11.499 11.499 567 3HZ LYS 71 HZ3 LYS 71 -1.366 12.149 12.149 568 H GLN 72 HN GLN 72 -6.616 10.324 10.324 569 HA GLN 72 HA GLN 72 -9.408 10.084 10.084 570 1HB GLN 72 HB2 GLN 72 -8.544 11.726 11.726 571 2HB GLN 72 HB1 GLN 72 -9.431 12.295 12.295 572 1HG GLN 72 HG2 GLN 72 -7.663 13.734 13.734 573 2HG GLN 72 HG1 GLN 72 -7.041 12.628 12.628 574 1HE2 GLN 72 HE22 GLN 72 -4.514 11.446 11.446 575 2HE2 GLN 72 HE21 GLN 72 -5.349 11.004 11.004 576 HA PRO 73 HA PRO 73 -7.667 7.186 7.186 577 1HB PRO 73 HB2 PRO 73 -8.826 7.762 7.762 578 2HB PRO 73 HB1 PRO 73 -9.698 6.938 6.938 579 1HG PRO 73 HG2 PRO 73 -9.693 9.871 9.871 580 2HG PRO 73 HG1 PRO 73 -11.089 8.821 8.821 581 1HD PRO 73 HD2 PRO 73 -10.082 10.482 10.482 582 2HD PRO 73 HD1 PRO 73 -10.608 8.857 8.857 583 H SER 74 HN SER 74 -7.940 10.390 10.390 584 HA SER 74 HA SER 74 -6.354 11.720 11.720 585 1HB SER 74 HB2 SER 74 -4.541 11.922 11.922 586 2HB SER 74 HB1 SER 74 -5.261 10.583 10.583 587 HG SER 74 HG SER 74 -3.020 10.671 10.671 588 H SER 75 HN SER 75 -6.158 11.464 11.464 589 HA SER 75 HA SER 75 -5.232 10.692 10.692 590 1HB SER 75 HB2 SER 75 -3.439 9.971 9.971 591 2HB SER 75 HB1 SER 75 -3.873 8.398 8.398 592 HG SER 75 HG SER 75 -3.228 8.962 8.962 593 H GLN 76 HN GLN 76 -6.935 8.576 8.576 594 HA GLN 76 HA GLN 76 -7.418 6.466 6.466 595 1HB GLN 76 HB2 GLN 76 -8.108 7.094 7.094 596 2HB GLN 76 HB1 GLN 76 -9.200 6.019 6.019 597 1HG GLN 76 HG2 GLN 76 -7.767 4.351 4.351 598 2HG GLN 76 HG1 GLN 76 -6.648 5.107 5.107 599 1HE2 GLN 76 HE22 GLN 76 -4.751 6.692 6.692 600 2HE2 GLN 76 HE21 GLN 76 -5.277 6.974 6.974 601 HA PRO 77 HA PRO 77 -11.724 8.574 8.574 602 1HB PRO 77 HB2 PRO 77 -11.910 11.130 11.130 603 2HB PRO 77 HB1 PRO 77 -12.198 9.646 9.646 604 1HG PRO 77 HG2 PRO 77 -9.837 11.451 11.451 605 2HG PRO 77 HG1 PRO 77 -10.509 10.598 10.598 606 1HD PRO 77 HD2 PRO 77 -8.342 9.910 9.910 607 2HD PRO 77 HD1 PRO 77 -9.175 8.778 8.778 608 H ARG 78 HN ARG 78 -8.763 10.295 10.295 609 HA ARG 78 HA ARG 78 -9.967 11.331 11.331 610 1HB ARG 78 HB2 ARG 78 -8.936 13.525 13.525 611 2HB ARG 78 HB1 ARG 78 -10.082 13.099 13.099 612 1HG ARG 78 HG2 ARG 78 -8.011 12.211 12.211 613 2HG ARG 78 HG1 ARG 78 -7.043 12.976 12.976 614 1HD ARG 78 HD2 ARG 78 -9.126 14.524 14.524 615 2HD ARG 78 HD1 ARG 78 -7.435 14.386 14.386 616 HE ARG 78 HE ARG 78 -7.815 15.160 15.160 617 1HH1 ARG 78 HH11 ARG 78 -8.779 16.929 16.929 618 2HH1 ARG 78 HH12 ARG 78 -7.559 18.154 18.154 619 1HH2 ARG 78 HH21 ARG 78 -5.625 16.419 16.419 620 2HH2 ARG 78 HH22 ARG 78 -5.771 17.865 17.865 621 H GLY 79 HN GLY 79 -8.102 9.099 9.099 622 1HA GLY 79 HA2 GLY 79 -5.982 9.931 9.931 623 2HA GLY 79 HA1 GLY 79 -5.414 9.516 9.516 624 H ASP 80 HN ASP 80 -5.144 7.388 7.388 625 HA ASP 80 HA ASP 80 -5.407 5.387 5.387 626 1HB ASP 80 HB2 ASP 80 -3.607 5.632 5.632 627 2HB ASP 80 HB1 ASP 80 -4.827 4.987 4.987 628 HA PRO 81 HA PRO 81 -9.588 4.370 4.370 629 1HB PRO 81 HB2 PRO 81 -9.999 2.406 2.406 630 2HB PRO 81 HB1 PRO 81 -10.078 4.136 4.136 631 1HG PRO 81 HG2 PRO 81 -7.854 2.203 2.203 632 2HG PRO 81 HG1 PRO 81 -8.461 3.511 3.511 633 1HD PRO 81 HD2 PRO 81 -6.211 3.705 3.705 634 2HD PRO 81 HD1 PRO 81 -7.204 5.104 5.104 635 H THR 82 HN THR 82 -8.720 3.477 3.477 636 HA THR 82 HA THR 82 -7.551 0.855 0.855 637 HB THR 82 HB THR 82 -8.536 1.245 1.245 638 HG1 THR 82 HG1 THR 82 -9.717 2.960 2.960 639 1HG2 THR 82 HG23 THR 82 -6.146 1.439 1.439 640 2HG2 THR 82 HG22 THR 82 -6.466 3.136 3.136 641 3HG2 THR 82 HG21 THR 82 -6.572 2.548 2.548 642 H GLY 83 HN GLY 83 -10.846 1.938 1.938 643 1HA GLY 83 HA2 GLY 83 -12.173 -0.423 -0.423 644 2HA GLY 83 HA1 GLY 83 -11.880 -0.535 -0.535 645 HA PRO 84 HA PRO 84 -15.507 2.063 2.063 646 1HB PRO 84 HB2 PRO 84 -15.871 1.632 1.632 647 2HB PRO 84 HB1 PRO 84 -16.217 0.416 0.416 648 1HG PRO 84 HG2 PRO 84 -14.123 0.399 0.399 649 2HG PRO 84 HG1 PRO 84 -14.534 -0.871 -0.871 650 1HD PRO 84 HD2 PRO 84 -12.500 1.193 1.193 651 2HD PRO 84 HD1 PRO 84 -12.432 -0.365 -0.365 652 H LYS 85 HN LYS 85 -12.483 3.031 3.031 653 HA LYS 85 HA LYS 85 -13.252 5.200 5.200 654 1HB LYS 85 HB2 LYS 85 -10.637 4.500 4.500 655 2HB LYS 85 HB1 LYS 85 -10.825 5.616 5.616 656 1HG LYS 85 HG2 LYS 85 -11.380 2.620 2.620 657 2HG LYS 85 HG1 LYS 85 -10.057 3.452 3.452 658 1HD LYS 85 HD2 LYS 85 -12.996 3.929 3.929 659 2HD LYS 85 HD1 LYS 85 -11.931 2.899 2.899 660 1HE LYS 85 HE2 LYS 85 -10.617 4.711 4.711 661 2HE LYS 85 HE1 LYS 85 -11.180 5.794 5.794 662 1HZ LYS 85 HZ3 LYS 85 -13.430 5.613 5.613 663 2HZ LYS 85 HZ2 LYS 85 -12.858 4.652 4.652 664 3HZ LYS 85 HZ1 LYS 85 -12.363 6.271 6.271 665 H GLU 86 HN GLU 86 -13.744 4.881 4.881 666 HA GLU 86 HA GLU 86 -12.546 7.309 7.309 667 1HB GLU 86 HB2 GLU 86 -14.734 5.423 5.423 668 2HB GLU 86 HB1 GLU 86 -14.072 6.723 6.723 669 1HG GLU 86 HG2 GLU 86 -11.811 5.704 5.704 670 2HG GLU 86 HG1 GLU 86 -12.597 4.358 4.358 Start of MODEL 3 1 1H LEU 1 HT1 LEU 1 16.365 -9.259 -9.259 2 2H LEU 1 HT3 LEU 1 15.069 -10.336 -10.336 3 3H LEU 1 HT2 LEU 1 15.365 -9.638 -9.638 4 HA LEU 1 HA LEU 1 13.579 -8.394 -8.394 5 1HB LEU 1 HB2 LEU 1 13.465 -7.715 -7.715 6 2HB LEU 1 HB1 LEU 1 13.747 -9.458 -9.458 7 HG LEU 1 HG LEU 1 16.322 -8.439 -8.439 8 1HD1 LEU 1 HD12 LEU 1 14.683 -6.341 -6.341 9 2HD1 LEU 1 HD11 LEU 1 15.531 -7.020 -7.020 10 3HD1 LEU 1 HD13 LEU 1 16.444 -6.437 -6.437 11 1HD2 LEU 1 HD23 LEU 1 14.949 -10.267 -10.267 12 2HD2 LEU 1 HD22 LEU 1 16.544 -9.697 -9.697 13 3HD2 LEU 1 HD21 LEU 1 15.098 -9.026 -9.026 14 H ASP 2 HN ASP 2 13.466 -6.015 -6.015 15 HA ASP 2 HA ASP 2 14.184 -3.854 -3.854 16 1HB ASP 2 HB2 ASP 2 15.362 -4.719 -4.719 17 2HB ASP 2 HB1 ASP 2 16.801 -4.488 -4.488 18 HA PRO 3 HA PRO 3 17.124 -5.292 -5.292 19 1HB PRO 3 HB2 PRO 3 15.376 -5.862 -5.862 20 2HB PRO 3 HB1 PRO 3 15.892 -7.053 -7.053 21 1HG PRO 3 HG2 PRO 3 13.304 -5.698 -5.698 22 2HG PRO 3 HG1 PRO 3 13.710 -7.203 -7.203 23 1HD PRO 3 HD2 PRO 3 13.377 -4.558 -4.558 24 2HD PRO 3 HD1 PRO 3 13.592 -6.089 -6.089 25 H VAL 4 HN VAL 4 14.323 -4.108 -4.108 26 HA VAL 4 HA VAL 4 15.710 -1.705 -1.705 27 HB VAL 4 HB VAL 4 12.935 -2.921 -2.921 28 1HG1 VAL 4 HG11 VAL 4 13.754 -0.282 -0.282 29 2HG1 VAL 4 HG13 VAL 4 12.287 -1.186 -1.186 30 3HG1 VAL 4 HG12 VAL 4 12.513 -0.501 -0.501 31 1HG2 VAL 4 HG21 VAL 4 15.350 -2.840 -2.840 32 2HG2 VAL 4 HG23 VAL 4 14.033 -4.013 -4.013 33 3HG2 VAL 4 HG22 VAL 4 13.856 -2.529 -2.529 34 H ASP 5 HN ASP 5 12.850 -2.356 -2.356 35 HA ASP 5 HA ASP 5 13.535 -0.348 -0.348 36 1HB ASP 5 HB2 ASP 5 11.677 0.213 0.213 37 2HB ASP 5 HB1 ASP 5 10.912 0.401 0.401 38 HA PRO 6 HA PRO 6 10.200 -3.270 -3.270 39 1HB PRO 6 HB2 PRO 6 7.987 -3.779 -3.779 40 2HB PRO 6 HB1 PRO 6 8.184 -2.272 -2.272 41 1HG PRO 6 HG2 PRO 6 8.247 -2.639 -2.639 42 2HG PRO 6 HG1 PRO 6 8.112 -1.142 -1.142 43 1HD PRO 6 HD2 PRO 6 10.375 -2.432 -2.432 44 2HD PRO 6 HD1 PRO 6 10.122 -0.741 -0.741 45 H ASN 7 HN ASN 7 8.939 -5.624 -5.624 46 HA ASN 7 HA ASN 7 11.161 -7.113 -7.113 47 1HB ASN 7 HB2 ASN 7 8.291 -7.792 -7.792 48 2HB ASN 7 HB1 ASN 7 9.463 -8.994 -8.994 49 1HD2 ASN 7 HD22 ASN 7 9.503 -8.087 -8.087 50 2HD2 ASN 7 HD21 ASN 7 8.198 -7.763 -7.763 51 H ILE 8 HN ILE 8 7.830 -6.479 -6.479 52 HA ILE 8 HA ILE 8 8.867 -6.585 -6.585 53 HB ILE 8 HB ILE 8 7.020 -7.983 -7.983 54 1HG1 ILE 8 HG12 ILE 8 5.318 -6.901 -6.901 55 2HG1 ILE 8 HG11 ILE 8 5.207 -8.641 -8.641 56 1HG2 ILE 8 HG22 ILE 8 8.831 -8.827 -8.827 57 2HG2 ILE 8 HG21 ILE 8 7.332 -9.749 -9.749 58 3HG2 ILE 8 HG23 ILE 8 8.296 -9.701 -9.701 59 1HD1 ILE 8 HD12 ILE 8 6.888 -8.510 -8.510 60 2HD1 ILE 8 HD11 ILE 8 6.072 -6.960 -6.960 61 3HD1 ILE 8 HD13 ILE 8 5.137 -8.455 -8.455 62 H GLU 9 HN GLU 9 7.740 -4.522 -4.522 63 HA GLU 9 HA GLU 9 6.469 -2.540 -2.540 64 1HB GLU 9 HB2 GLU 9 7.068 -3.145 -3.145 65 2HB GLU 9 HB1 GLU 9 6.076 -1.768 -1.768 66 1HG GLU 9 HG2 GLU 9 7.840 -0.955 -0.955 67 2HG GLU 9 HG1 GLU 9 8.881 -2.299 -2.299 68 HA PRO 10 HA PRO 10 2.625 -4.974 -4.974 69 1HB PRO 10 HB2 PRO 10 1.983 -5.806 -5.806 70 2HB PRO 10 HB1 PRO 10 3.004 -6.698 -6.698 71 1HG PRO 10 HG2 PRO 10 3.649 -5.024 -5.024 72 2HG PRO 10 HG1 PRO 10 4.535 -6.527 -6.527 73 1HD PRO 10 HD2 PRO 10 5.288 -3.852 -3.852 74 2HD PRO 10 HD1 PRO 10 5.929 -5.220 -5.220 75 H TRP 11 HN TRP 11 3.050 -2.111 -2.111 76 HA TRP 11 HA TRP 11 0.805 -1.589 -1.589 77 1HB TRP 11 HB2 TRP 11 2.931 0.262 0.262 78 2HB TRP 11 HB1 TRP 11 1.728 0.642 0.642 79 HD1 TRP 11 HD1 TRP 11 4.618 -1.841 -1.841 80 HE1 TRP 11 HE1 TRP 11 5.539 -2.158 -2.158 81 HE3 TRP 11 HE3 TRP 11 1.344 1.076 1.076 82 HZ2 TRP 11 HZ2 TRP 11 4.953 -1.262 -1.262 83 HZ3 TRP 11 HZ3 TRP 11 1.549 1.321 1.321 84 HH2 TRP 11 HH2 TRP 11 3.344 0.161 0.161 85 H ASN 12 HN ASN 12 -0.082 -2.644 -2.644 86 HA ASN 12 HA ASN 12 -1.259 -0.281 -0.281 87 1HB ASN 12 HB2 ASN 12 -1.052 -2.081 -2.081 88 2HB ASN 12 HB1 ASN 12 0.141 -0.833 -0.833 89 1HD2 ASN 12 HD22 ASN 12 2.503 -3.158 -3.158 90 2HD2 ASN 12 HD21 ASN 12 1.946 -1.565 -1.565 91 H HIS 13 HN HIS 13 -3.371 -0.403 -0.403 92 HA HIS 13 HA HIS 13 -4.670 -3.053 -3.053 93 1HB HIS 13 HB2 HIS 13 -5.183 -0.190 -0.190 94 2HB HIS 13 HB1 HIS 13 -6.511 -1.350 -1.350 95 HD1 HIS 13 HD1 HIS 13 -6.080 -0.547 -0.547 96 HD2 HIS 13 HD2 HIS 13 -3.271 -3.105 -3.105 97 HE1 HIS 13 HE1 HIS 13 -4.826 -1.628 -1.628 98 HA PRO 14 HA PRO 14 -6.814 -2.714 -2.714 99 1HB PRO 14 HB2 PRO 14 -9.007 -4.298 -4.298 100 2HB PRO 14 HB1 PRO 14 -7.354 -4.891 -4.891 101 1HG PRO 14 HG2 PRO 14 -8.842 -4.448 -4.448 102 2HG PRO 14 HG1 PRO 14 -7.786 -5.795 -5.795 103 1HD PRO 14 HD2 PRO 14 -6.989 -3.623 -3.623 104 2HD PRO 14 HD1 PRO 14 -5.838 -4.674 -4.674 105 H GLY 15 HN GLY 15 -8.025 -1.561 -1.561 106 1HA GLY 15 HA2 GLY 15 -9.550 0.130 0.130 107 2HA GLY 15 HA1 GLY 15 -9.670 0.481 0.481 108 H SER 16 HN SER 16 -10.220 -2.796 -2.796 109 HA SER 16 HA SER 16 -13.178 -2.428 -2.428 110 1HB SER 16 HB2 SER 16 -11.434 -3.713 -3.713 111 2HB SER 16 HB1 SER 16 -12.979 -4.514 -4.514 112 HG SER 16 HG SER 16 -13.986 -3.161 -3.161 113 H GLN 17 HN GLN 17 -10.590 -3.628 -3.628 114 HA GLN 17 HA GLN 17 -12.106 -5.947 -5.947 115 1HB GLN 17 HB2 GLN 17 -9.288 -5.900 -5.900 116 2HB GLN 17 HB1 GLN 17 -9.828 -6.922 -6.922 117 1HG GLN 17 HG2 GLN 17 -10.697 -8.363 -8.363 118 2HG GLN 17 HG1 GLN 17 -11.849 -7.116 -7.116 119 1HE2 GLN 17 HE22 GLN 17 -10.156 -6.314 -6.314 120 2HE2 GLN 17 HE21 GLN 17 -11.384 -5.846 -5.846 121 HA PRO 18 HA PRO 18 -9.147 -4.486 -4.486 122 1HB PRO 18 HB2 PRO 18 -7.340 -2.495 -2.495 123 2HB PRO 18 HB1 PRO 18 -6.965 -4.229 -4.229 124 1HG PRO 18 HG2 PRO 18 -7.762 -2.205 -2.205 125 2HG PRO 18 HG1 PRO 18 -6.549 -3.502 -3.502 126 1HD PRO 18 HD2 PRO 18 -8.905 -3.674 -3.674 127 2HD PRO 18 HD1 PRO 18 -8.058 -5.100 -5.100 128 H LYS 19 HN LYS 19 -10.206 -2.128 -2.128 129 HA LYS 19 HA LYS 19 -10.880 -0.083 -0.083 130 1HB LYS 19 HB2 LYS 19 -11.284 -0.306 -0.306 131 2HB LYS 19 HB1 LYS 19 -11.542 1.193 1.193 132 1HG LYS 19 HG2 LYS 19 -8.961 -0.337 -0.337 133 2HG LYS 19 HG1 LYS 19 -9.260 1.035 1.035 134 1HD LYS 19 HD2 LYS 19 -9.740 2.437 2.437 135 2HD LYS 19 HD1 LYS 19 -9.133 1.095 1.095 136 1HE LYS 19 HE2 LYS 19 -6.967 1.245 1.245 137 2HE LYS 19 HE1 LYS 19 -7.600 2.765 2.765 138 1HZ LYS 19 HZ3 LYS 19 -7.955 3.540 3.540 139 2HZ LYS 19 HZ2 LYS 19 -7.285 2.098 2.098 140 3HZ LYS 19 HZ1 LYS 19 -6.319 3.184 3.184 141 H THR 20 HN THR 20 -12.534 -2.230 -2.230 142 HA THR 20 HA THR 20 -15.216 -1.470 -1.470 143 HB THR 20 HB THR 20 -14.093 -3.786 -3.786 144 HG1 THR 20 HG1 THR 20 -14.922 -2.492 -2.492 145 1HG2 THR 20 HG23 THR 20 -16.873 -3.023 -3.023 146 2HG2 THR 20 HG22 THR 20 -16.618 -3.608 -3.608 147 3HG2 THR 20 HG21 THR 20 -16.182 -4.623 -4.623 148 H ALA 21 HN ALA 21 -13.065 -4.239 -4.239 149 HA ALA 21 HA ALA 21 -12.910 -5.830 -5.830 150 1HB ALA 21 HB1 ALA 21 -14.656 -3.794 -3.794 151 2HB ALA 21 HB3 ALA 21 -13.803 -5.119 -5.119 152 3HB ALA 21 HB2 ALA 21 -12.893 -3.840 -3.840 153 H CYS 22 HN CYS 22 -16.033 -5.037 -5.037 154 HA CYS 22 HA CYS 22 -17.715 -6.866 -6.866 155 1HB CYS 22 HB2 CYS 22 -18.258 -5.092 -5.092 156 2HB CYS 22 HB1 CYS 22 -17.752 -6.293 -6.293 157 HG CYS 22 HG CYS 22 -20.236 -6.792 -6.792 158 H ASN 23 HN ASN 23 -15.180 -7.319 -7.319 159 HA ASN 23 HA ASN 23 -15.885 -10.076 -10.076 160 1HB ASN 23 HB2 ASN 23 -14.053 -9.911 -9.911 161 2HB ASN 23 HB1 ASN 23 -14.479 -8.215 -8.215 162 1HD2 ASN 23 HD22 ASN 23 -11.599 -7.456 -7.456 163 2HD2 ASN 23 HD21 ASN 23 -13.215 -6.989 -6.989 164 H ARG 24 HN ARG 24 -13.860 -8.571 -8.571 165 HA ARG 24 HA ARG 24 -13.501 -11.243 -11.243 166 1HB ARG 24 HB2 ARG 24 -10.966 -10.734 -10.734 167 2HB ARG 24 HB1 ARG 24 -11.559 -11.005 -11.005 168 1HG ARG 24 HG2 ARG 24 -11.753 -8.361 -8.361 169 2HG ARG 24 HG1 ARG 24 -10.653 -8.506 -8.506 170 1HD ARG 24 HD2 ARG 24 -9.844 -10.164 -10.164 171 2HD ARG 24 HD1 ARG 24 -9.590 -8.399 -8.399 172 HE ARG 24 HE ARG 24 -8.822 -9.010 -9.010 173 1HH1 ARG 24 HH21 ARG 24 -7.736 -11.553 -11.553 174 2HH1 ARG 24 HH22 ARG 24 -6.185 -11.245 -11.245 175 1HH2 ARG 24 HH11 ARG 24 -6.888 -7.927 -7.927 176 2HH2 ARG 24 HH12 ARG 24 -5.703 -9.189 -9.189 177 H CYS 25 HN CYS 25 -12.139 -7.959 -7.959 178 HA CYS 25 HA CYS 25 -12.088 -6.712 -6.712 179 1HB CYS 25 HB2 CYS 25 -14.131 -6.140 -6.140 180 2HB CYS 25 HB1 CYS 25 -14.311 -6.941 -6.941 181 HG CYS 25 HG CYS 25 -15.858 -8.646 -8.646 182 H HIS 26 HN HIS 26 -10.559 -8.781 -8.781 183 HA HIS 26 HA HIS 26 -10.887 -9.183 -9.183 184 1HB HIS 26 HB2 HIS 26 -10.864 -11.816 -11.816 185 2HB HIS 26 HB1 HIS 26 -12.387 -10.927 -10.927 186 HD1 HIS 26 HD1 HIS 26 -13.106 -13.192 -13.192 187 HD2 HIS 26 HD2 HIS 26 -10.878 -10.322 -10.322 188 HE1 HIS 26 HE1 HIS 26 -13.384 -13.661 -13.661 189 H CYS 27 HN CYS 27 -9.289 -10.478 -10.478 190 HA CYS 27 HA CYS 27 -6.783 -10.918 -10.918 191 1HB CYS 27 HB2 CYS 27 -7.851 -12.511 -12.511 192 2HB CYS 27 HB1 CYS 27 -7.393 -11.348 -11.348 193 HG CYS 27 HG CYS 27 -5.363 -12.950 -12.950 194 H LYS 28 HN LYS 28 -8.283 -8.472 -8.472 195 HA LYS 28 HA LYS 28 -5.957 -7.306 -7.306 196 1HB LYS 28 HB2 LYS 28 -8.030 -6.713 -6.713 197 2HB LYS 28 HB1 LYS 28 -8.733 -6.570 -6.570 198 1HG LYS 28 HG2 LYS 28 -6.643 -4.590 -4.590 199 2HG LYS 28 HG1 LYS 28 -7.643 -4.520 -4.520 200 1HD LYS 28 HD2 LYS 28 -8.540 -4.266 -4.266 201 2HD LYS 28 HD1 LYS 28 -8.526 -3.014 -3.014 202 1HE LYS 28 HE2 LYS 28 -10.219 -4.268 -4.268 203 2HE LYS 28 HE1 LYS 28 -10.255 -5.521 -5.521 204 1HZ LYS 28 HZ2 LYS 28 -10.619 -3.607 -3.607 205 2HZ LYS 28 HZ1 LYS 28 -11.018 -2.679 -2.679 206 3HZ LYS 28 HZ3 LYS 28 -11.931 -4.056 -4.056 207 H LYS 29 HN LYS 29 -7.888 -6.111 -6.111 208 HA LYS 29 HA LYS 29 -5.704 -4.385 -4.385 209 1HB LYS 29 HB2 LYS 29 -7.295 -3.586 -3.586 210 2HB LYS 29 HB1 LYS 29 -8.232 -3.930 -3.930 211 1HG LYS 29 HG2 LYS 29 -7.956 -6.040 -6.040 212 2HG LYS 29 HG1 LYS 29 -9.082 -4.718 -4.718 213 1HD LYS 29 HD2 LYS 29 -9.602 -5.546 -5.546 214 2HD LYS 29 HD1 LYS 29 -9.070 -7.043 -7.043 215 1HE LYS 29 HE2 LYS 29 -11.447 -6.909 -6.909 216 2HE LYS 29 HE1 LYS 29 -10.755 -6.509 -6.509 217 1HZ LYS 29 HZ3 LYS 29 -11.333 -4.463 -4.463 218 2HZ LYS 29 HZ2 LYS 29 -12.494 -4.896 -4.896 219 3HZ LYS 29 HZ1 LYS 29 -11.024 -4.200 -4.200 220 H CYS 30 HN CYS 30 -6.934 -7.575 -7.575 221 HA CYS 30 HA CYS 30 -6.457 -9.048 -9.048 222 1HB CYS 30 HB2 CYS 30 -4.536 -8.687 -8.687 223 2HB CYS 30 HB1 CYS 30 -3.605 -8.842 -8.842 224 HG CYS 30 HG CYS 30 -4.062 -11.240 -11.240 225 H CYS 31 HN CYS 31 -6.556 -6.311 -6.311 226 HA CYS 31 HA CYS 31 -5.834 -5.063 -5.063 227 1HB CYS 31 HB2 CYS 31 -6.837 -7.361 -7.361 228 2HB CYS 31 HB1 CYS 31 -5.190 -7.763 -7.763 229 HG CYS 31 HG CYS 31 -5.584 -6.411 -6.411 230 H TYR 32 HN TYR 32 -3.664 -4.905 -4.905 231 HA TYR 32 HA TYR 32 -1.430 -4.889 -4.889 232 1HB TYR 32 HB2 TYR 32 0.035 -5.905 -5.905 233 2HB TYR 32 HB1 TYR 32 -1.107 -7.154 -7.154 234 HD1 TYR 32 HD1 TYR 32 -3.334 -6.686 -6.686 235 HD2 TYR 32 HD2 TYR 32 0.859 -6.140 -6.140 236 HE1 TYR 32 HE1 TYR 32 -3.710 -6.937 -6.937 237 HE2 TYR 32 HE2 TYR 32 0.481 -6.388 -6.388 238 HH TYR 32 HH TYR 32 -2.018 -5.949 -5.949 239 H HIS 33 HN HIS 33 -3.000 -2.823 -2.823 240 HA HIS 33 HA HIS 33 -2.740 -0.784 -0.784 241 1HB HIS 33 HB2 HIS 33 0.138 -1.566 -1.566 242 2HB HIS 33 HB1 HIS 33 -0.330 0.030 0.030 243 HD1 HIS 33 HD1 HIS 33 -1.730 1.506 1.506 244 HD2 HIS 33 HD2 HIS 33 -0.462 -2.136 -2.136 245 HE1 HIS 33 HE1 HIS 33 -2.082 1.650 1.650 246 H CYS 34 HN CYS 34 -2.483 -3.545 -3.545 247 HA CYS 34 HA CYS 34 -2.216 -4.279 -4.279 248 1HB CYS 34 HB2 CYS 34 -3.599 -2.078 -2.078 249 2HB CYS 34 HB1 CYS 34 -2.087 -1.385 -1.385 250 HG CYS 34 HG CYS 34 -2.843 -2.323 -2.323 251 H GLN 35 HN GLN 35 -0.669 -2.045 -2.045 252 HA GLN 35 HA GLN 35 1.547 -1.515 -1.515 253 1HB GLN 35 HB2 GLN 35 2.417 -3.077 -3.077 254 2HB GLN 35 HB1 GLN 35 3.284 -1.870 -1.870 255 1HG GLN 35 HG2 GLN 35 1.958 -0.023 -0.023 256 2HG GLN 35 HG1 GLN 35 0.723 -1.228 -1.228 257 1HE2 GLN 35 HE22 GLN 35 1.827 -2.116 -2.116 258 2HE2 GLN 35 HE21 GLN 35 0.859 -2.567 -2.567 259 H VAL 36 HN VAL 36 0.468 -4.776 -4.776 260 HA VAL 36 HA VAL 36 1.081 -6.808 -6.808 261 HB VAL 36 HB VAL 36 1.780 -6.467 -6.467 262 1HG1 VAL 36 HG12 VAL 36 -0.605 -5.002 -5.002 263 2HG1 VAL 36 HG11 VAL 36 -0.405 -5.488 -5.488 264 3HG1 VAL 36 HG13 VAL 36 -0.507 -6.712 -6.712 265 1HG2 VAL 36 HG21 VAL 36 2.929 -4.332 -4.332 266 2HG2 VAL 36 HG23 VAL 36 1.689 -4.614 -4.614 267 3HG2 VAL 36 HG22 VAL 36 1.342 -3.578 -3.578 268 H CYS 37 HN CYS 37 3.185 -7.580 -7.580 269 HA CYS 37 HA CYS 37 5.427 -7.584 -7.584 270 1HB CYS 37 HB2 CYS 37 6.391 -9.138 -9.138 271 2HB CYS 37 HB1 CYS 37 4.807 -9.637 -9.637 272 HG CYS 37 HG CYS 37 3.913 -9.370 -9.370 273 H PHE 38 HN PHE 38 5.915 -5.265 -5.265 274 HA PHE 38 HA PHE 38 6.967 -4.281 -4.281 275 1HB PHE 38 HB2 PHE 38 6.916 -2.048 -2.048 276 2HB PHE 38 HB1 PHE 38 5.394 -3.055 -3.055 277 HD1 PHE 38 HD1 PHE 38 8.352 -1.904 -1.904 278 HD2 PHE 38 HD2 PHE 38 4.526 -3.815 -3.815 279 HE1 PHE 38 HE1 PHE 38 8.345 -1.747 -1.747 280 HE2 PHE 38 HE2 PHE 38 4.513 -3.659 -3.659 281 HZ PHE 38 HZ PHE 38 6.425 -2.623 -2.623 282 H ILE 39 HN ILE 39 8.800 -2.422 -2.422 283 HA ILE 39 HA ILE 39 11.259 -3.670 -3.670 284 HB ILE 39 HB ILE 39 12.223 -1.855 -1.855 285 1HG1 ILE 39 HG12 ILE 39 9.797 -0.697 -0.697 286 2HG1 ILE 39 HG11 ILE 39 10.004 -2.260 -2.260 287 1HG2 ILE 39 HG22 ILE 39 10.220 -1.505 -1.505 288 2HG2 ILE 39 HG21 ILE 39 9.977 -0.238 -0.238 289 3HG2 ILE 39 HG23 ILE 39 11.540 -0.408 -0.408 290 1HD1 ILE 39 HD12 ILE 39 12.404 -1.642 -1.642 291 2HD1 ILE 39 HD11 ILE 39 12.043 -0.011 -0.011 292 3HD1 ILE 39 HD13 ILE 39 11.204 -0.662 -0.662 293 H THR 40 HN THR 40 9.299 -4.055 -4.055 294 HA THR 40 HA THR 40 11.447 -5.891 -5.891 295 HB THR 40 HB THR 40 9.636 -3.998 -3.998 296 HG1 THR 40 HG1 THR 40 11.297 -2.701 -2.701 297 1HG2 THR 40 HG22 THR 40 11.352 -6.278 -6.278 298 2HG2 THR 40 HG21 THR 40 11.541 -4.815 -4.815 299 3HG2 THR 40 HG23 THR 40 9.956 -5.577 -5.577 300 H LYS 41 HN LYS 41 10.706 -7.766 -7.766 301 HA LYS 41 HA LYS 41 8.116 -8.790 -8.790 302 1HB LYS 41 HB2 LYS 41 10.363 -9.745 -9.745 303 2HB LYS 41 HB1 LYS 41 8.900 -10.707 -10.707 304 1HG LYS 41 HG2 LYS 41 10.387 -9.565 -9.565 305 2HG LYS 41 HG1 LYS 41 11.024 -11.016 -11.016 306 1HD LYS 41 HD2 LYS 41 9.593 -11.902 -11.902 307 2HD LYS 41 HD1 LYS 41 8.564 -11.912 -11.912 308 1HE LYS 41 HE2 LYS 41 8.319 -9.298 -9.298 309 2HE LYS 41 HE1 LYS 41 8.084 -10.594 -10.594 310 1HZ LYS 41 HZ2 LYS 41 6.893 -10.677 -10.677 311 2HZ LYS 41 HZ1 LYS 41 6.135 -9.840 -9.840 312 3HZ LYS 41 HZ3 LYS 41 6.403 -11.509 -11.509 313 H GLY 42 HN GLY 42 6.566 -9.708 -9.708 314 1HA GLY 42 HA2 GLY 42 5.447 -9.549 -9.549 315 2HA GLY 42 HA1 GLY 42 6.493 -8.199 -8.199 316 H LEU 43 HN LEU 43 5.890 -7.116 -7.116 317 HA LEU 43 HA LEU 43 4.300 -5.766 -5.766 318 1HB LEU 43 HB2 LEU 43 2.359 -7.400 -7.400 319 2HB LEU 43 HB1 LEU 43 2.004 -6.276 -6.276 320 HG LEU 43 HG LEU 43 3.143 -7.540 -7.540 321 1HD1 LEU 43 HD11 LEU 43 4.099 -9.390 -9.390 322 2HD1 LEU 43 HD13 LEU 43 3.982 -9.846 -9.846 323 3HD1 LEU 43 HD12 LEU 43 5.039 -8.520 -8.520 324 1HD2 LEU 43 HD22 LEU 43 1.353 -8.917 -8.917 325 2HD2 LEU 43 HD21 LEU 43 0.893 -8.377 -8.377 326 3HD2 LEU 43 HD23 LEU 43 1.848 -9.846 -9.846 327 H GLY 44 HN GLY 44 5.666 -4.593 -4.593 328 1HA GLY 44 HA2 GLY 44 5.514 -2.593 -2.593 329 2HA GLY 44 HA1 GLY 44 3.892 -2.396 -2.396 330 H ILE 45 HN ILE 45 4.202 -5.443 -5.443 331 HA ILE 45 HA ILE 45 2.340 -4.901 -4.901 332 HB ILE 45 HB ILE 45 3.418 -7.005 -7.005 333 1HG1 ILE 45 HG12 ILE 45 4.740 -7.992 -7.992 334 2HG1 ILE 45 HG11 ILE 45 5.434 -6.363 -6.363 335 1HG2 ILE 45 HG21 ILE 45 2.197 -6.759 -6.759 336 2HG2 ILE 45 HG23 ILE 45 2.693 -8.347 -8.347 337 3HG2 ILE 45 HG22 ILE 45 1.500 -7.410 -7.410 338 1HD1 ILE 45 HD13 ILE 45 5.473 -7.213 -7.213 339 2HD1 ILE 45 HD12 ILE 45 5.482 -8.785 -8.785 340 3HD1 ILE 45 HD11 ILE 45 6.764 -7.620 -7.620 341 H SER 46 HN SER 46 5.921 -5.237 -5.237 342 HA SER 46 HA SER 46 6.103 -2.974 -2.974 343 1HB SER 46 HB2 SER 46 4.660 -4.895 -4.895 344 2HB SER 46 HB1 SER 46 6.253 -5.554 -5.554 345 HG SER 46 HG SER 46 6.014 -4.235 -4.235 346 H TYR 47 HN TYR 47 7.738 -4.362 -4.362 347 HA TYR 47 HA TYR 47 10.063 -5.524 -5.524 348 1HB TYR 47 HB2 TYR 47 10.949 -5.610 -5.610 349 2HB TYR 47 HB1 TYR 47 9.267 -6.135 -6.135 350 HD1 TYR 47 HD1 TYR 47 11.488 -3.234 -3.234 351 HD2 TYR 47 HD2 TYR 47 7.590 -4.961 -4.961 352 HE1 TYR 47 HE1 TYR 47 10.900 -1.458 -1.458 353 HE2 TYR 47 HE2 TYR 47 7.003 -3.201 -3.201 354 HH TYR 47 HH TYR 47 9.376 -0.950 -0.950 355 H GLY 48 HN GLY 48 9.065 -2.306 -2.306 356 1HA GLY 48 HA2 GLY 48 10.337 -0.476 -0.476 357 2HA GLY 48 HA1 GLY 48 11.815 -1.228 -1.228 358 H ARG 49 HN ARG 49 8.679 -0.038 -0.038 359 HA ARG 49 HA ARG 49 9.492 0.298 0.298 360 1HB ARG 49 HB2 ARG 49 7.265 1.547 1.547 361 2HB ARG 49 HB1 ARG 49 7.328 1.422 1.422 362 1HG ARG 49 HG2 ARG 49 6.903 -0.832 -0.832 363 2HG ARG 49 HG1 ARG 49 7.542 -1.073 -1.073 364 1HD ARG 49 HD2 ARG 49 5.190 -1.226 -1.226 365 2HD ARG 49 HD1 ARG 49 5.569 0.369 0.369 366 HE ARG 49 HE ARG 49 5.191 0.335 0.335 367 1HH1 ARG 49 HH21 ARG 49 4.536 2.838 2.838 368 2HH1 ARG 49 HH22 ARG 49 2.894 2.905 2.905 369 1HH2 ARG 49 HH11 ARG 49 2.718 -0.487 -0.487 370 2HH2 ARG 49 HH12 ARG 49 1.863 1.020 1.020 371 H LYS 50 HN LYS 50 9.677 2.374 2.374 372 HA LYS 50 HA LYS 50 10.758 4.581 4.581 373 1HB LYS 50 HB2 LYS 50 12.348 4.961 4.961 374 2HB LYS 50 HB1 LYS 50 12.568 3.429 3.429 375 1HG LYS 50 HG2 LYS 50 10.653 3.393 3.393 376 2HG LYS 50 HG1 LYS 50 12.319 3.741 3.741 377 1HD LYS 50 HD2 LYS 50 11.388 1.325 1.325 378 2HD LYS 50 HD1 LYS 50 11.878 1.332 1.332 379 1HE LYS 50 HE2 LYS 50 14.101 2.445 2.445 380 2HE LYS 50 HE1 LYS 50 13.552 1.595 1.595 381 1HZ LYS 50 HZ3 LYS 50 13.263 -0.416 -0.416 382 2HZ LYS 50 HZ2 LYS 50 13.875 0.399 0.399 383 3HZ LYS 50 HZ1 LYS 50 14.875 0.114 0.114 384 H LYS 51 HN LYS 51 8.284 3.765 3.765 385 HA LYS 51 HA LYS 51 6.605 5.074 5.074 386 1HB LYS 51 HB2 LYS 51 8.234 7.461 7.461 387 2HB LYS 51 HB1 LYS 51 6.633 7.451 7.451 388 1HG LYS 51 HG2 LYS 51 6.948 5.416 5.416 389 2HG LYS 51 HG1 LYS 51 7.301 7.037 7.037 390 1HD LYS 51 HD2 LYS 51 4.970 6.724 6.724 391 2HD LYS 51 HD1 LYS 51 5.099 7.735 7.735 392 1HE LYS 51 HE2 LYS 51 4.499 5.987 5.987 393 2HE LYS 51 HE1 LYS 51 4.992 4.724 4.724 394 1HZ LYS 51 HZ1 LYS 51 2.739 6.639 6.639 395 2HZ LYS 51 HZ3 LYS 51 2.574 5.000 5.000 396 3HZ LYS 51 HZ2 LYS 51 3.212 5.441 5.441 397 H ARG 52 HN ARG 52 9.865 6.492 6.492 398 HA ARG 52 HA ARG 52 9.073 7.279 7.279 399 1HB ARG 52 HB2 ARG 52 11.866 7.268 7.268 400 2HB ARG 52 HB1 ARG 52 11.184 8.367 8.367 401 1HG ARG 52 HG2 ARG 52 10.724 8.218 8.218 402 2HG ARG 52 HG1 ARG 52 11.277 9.619 9.619 403 1HD ARG 52 HD2 ARG 52 8.424 8.457 8.457 404 2HD ARG 52 HD1 ARG 52 8.960 10.037 10.037 405 HE ARG 52 HE ARG 52 8.586 9.220 9.220 406 1HH1 ARG 52 HH21 ARG 52 11.079 10.329 10.329 407 2HH1 ARG 52 HH22 ARG 52 10.875 12.047 12.047 408 1HH2 ARG 52 HH11 ARG 52 7.878 11.903 11.903 409 2HH2 ARG 52 HH12 ARG 52 9.058 12.941 12.941 410 H ARG 53 HN ARG 53 9.561 4.317 4.317 411 HA ARG 53 HA ARG 53 11.653 3.113 3.113 412 1HB ARG 53 HB2 ARG 53 10.289 1.057 1.057 413 2HB ARG 53 HB1 ARG 53 10.491 2.079 2.079 414 1HG ARG 53 HG2 ARG 53 8.320 2.492 2.492 415 2HG ARG 53 HG1 ARG 53 8.102 2.867 2.867 416 1HD ARG 53 HD2 ARG 53 8.156 0.344 0.344 417 2HD ARG 53 HD1 ARG 53 8.017 0.168 0.168 418 HE ARG 53 HE ARG 53 5.938 1.205 1.205 419 1HH1 ARG 53 HH11 ARG 53 6.077 3.346 3.346 420 2HH1 ARG 53 HH12 ARG 53 5.076 2.772 2.772 421 1HH2 ARG 53 HH21 ARG 53 5.110 -0.528 -0.528 422 2HH2 ARG 53 HH22 ARG 53 4.528 0.573 0.573 423 H GLN 54 HN GLN 54 8.568 4.376 4.376 424 HA GLN 54 HA GLN 54 8.307 2.723 2.723 425 1HB GLN 54 HB2 GLN 54 7.050 5.408 5.408 426 2HB GLN 54 HB1 GLN 54 6.469 4.222 4.222 427 1HG GLN 54 HG2 GLN 54 5.997 2.599 2.599 428 2HG GLN 54 HG1 GLN 54 6.724 3.610 3.610 429 1HE2 GLN 54 HE22 GLN 54 4.010 6.017 6.017 430 2HE2 GLN 54 HE21 GLN 54 5.716 5.994 5.994 431 H ARG 55 HN ARG 55 9.609 5.955 5.955 432 HA ARG 55 HA ARG 55 10.927 7.435 7.435 433 1HB ARG 55 HB2 ARG 55 11.572 4.710 4.710 434 2HB ARG 55 HB1 ARG 55 12.377 6.189 6.189 435 1HG ARG 55 HG2 ARG 55 12.941 6.588 6.588 436 2HG ARG 55 HG1 ARG 55 12.308 4.978 4.978 437 1HD ARG 55 HD2 ARG 55 14.644 4.636 4.636 438 2HD ARG 55 HD1 ARG 55 13.945 4.153 4.153 439 HE ARG 55 HE ARG 55 14.483 6.986 6.986 440 1HH1 ARG 55 HH11 ARG 55 15.154 4.759 4.759 441 2HH1 ARG 55 HH12 ARG 55 16.877 4.922 4.922 442 1HH2 ARG 55 HH21 ARG 55 17.078 6.834 6.834 443 2HH2 ARG 55 HH22 ARG 55 17.969 6.101 6.101 444 H ARG 56 HN ARG 56 8.081 6.779 6.779 445 HA ARG 56 HA ARG 56 8.182 8.202 8.202 446 1HB ARG 56 HB2 ARG 56 7.301 6.423 6.423 447 2HB ARG 56 HB1 ARG 56 8.653 5.734 5.734 448 1HG ARG 56 HG2 ARG 56 6.570 5.274 5.274 449 2HG ARG 56 HG1 ARG 56 5.748 5.147 5.147 450 1HD ARG 56 HD2 ARG 56 8.360 3.799 3.799 451 2HD ARG 56 HD1 ARG 56 6.791 3.031 3.031 452 HE ARG 56 HE ARG 56 7.813 3.610 3.610 453 1HH1 ARG 56 HH21 ARG 56 5.407 4.371 4.371 454 2HH1 ARG 56 HH22 ARG 56 4.352 2.998 2.998 455 1HH2 ARG 56 HH11 ARG 56 6.363 1.095 1.095 456 2HH2 ARG 56 HH12 ARG 56 4.893 1.140 1.140 457 H ARG 57 HN ARG 57 7.011 8.728 8.728 458 HA ARG 57 HA ARG 57 4.297 8.086 8.086 459 1HB ARG 57 HB2 ARG 57 5.887 9.315 9.315 460 2HB ARG 57 HB1 ARG 57 5.600 10.794 10.794 461 1HG ARG 57 HG2 ARG 57 4.004 11.056 11.056 462 2HG ARG 57 HG1 ARG 57 3.048 10.148 10.148 463 1HD ARG 57 HD2 ARG 57 3.582 8.074 8.074 464 2HD ARG 57 HD1 ARG 57 4.589 8.939 8.939 465 HE ARG 57 HE ARG 57 1.682 9.638 9.638 466 1HH1 ARG 57 HH21 ARG 57 2.275 11.450 11.450 467 2HH1 ARG 57 HH22 ARG 57 2.416 10.656 10.656 468 1HH2 ARG 57 HH11 ARG 57 2.788 7.487 7.487 469 2HH2 ARG 57 HH12 ARG 57 2.707 8.406 8.406 470 HA PRO 58 HA PRO 58 3.036 11.705 11.705 471 1HB PRO 58 HB2 PRO 58 4.940 13.125 13.125 472 2HB PRO 58 HB1 PRO 58 4.456 13.496 13.496 473 1HG PRO 58 HG2 PRO 58 6.886 12.163 12.163 474 2HG PRO 58 HG1 PRO 58 6.661 13.149 13.149 475 1HD PRO 58 HD2 PRO 58 6.804 10.356 10.356 476 2HD PRO 58 HD1 PRO 58 6.352 11.333 11.333 477 H SER 59 HN SER 59 4.647 9.002 9.002 478 HA SER 59 HA SER 59 4.198 9.458 9.458 479 1HB SER 59 HB2 SER 59 6.203 7.810 7.810 480 2HB SER 59 HB1 SER 59 5.941 7.591 7.591 481 HG SER 59 HG SER 59 7.231 9.599 9.599 482 H GLN 60 HN GLN 60 2.627 8.204 8.204 483 HA GLN 60 HA GLN 60 1.903 5.611 5.611 484 1HB GLN 60 HB2 GLN 60 0.081 7.880 7.880 485 2HB GLN 60 HB1 GLN 60 -0.447 6.212 6.212 486 1HG GLN 60 HG2 GLN 60 -0.244 6.347 6.347 487 2HG GLN 60 HG1 GLN 60 1.143 7.443 7.443 488 1HE2 GLN 60 HE22 GLN 60 -0.888 10.338 10.338 489 2HE2 GLN 60 HE21 GLN 60 0.687 9.685 9.685 490 H GLY 61 HN GLY 61 0.398 7.231 7.231 491 1HA GLY 61 HA2 GLY 61 0.654 6.819 6.819 492 2HA GLY 61 HA1 GLY 61 1.765 5.473 5.473 493 H GLY 62 HN GLY 62 -1.575 6.327 6.327 494 1HA GLY 62 HA2 GLY 62 -3.521 5.005 5.005 495 2HA GLY 62 HA1 GLY 62 -2.845 4.168 4.168 496 H GLN 63 HN GLN 63 -1.061 4.404 4.404 497 HA GLN 63 HA GLN 63 -0.788 1.529 1.529 498 1HB GLN 63 HB2 GLN 63 1.006 3.211 3.211 499 2HB GLN 63 HB1 GLN 63 -0.053 3.689 3.689 500 1HG GLN 63 HG2 GLN 63 1.096 2.369 2.369 501 2HG GLN 63 HG1 GLN 63 0.025 1.114 1.114 502 1HE2 GLN 63 HE22 GLN 63 2.540 -0.098 -0.098 503 2HE2 GLN 63 HE21 GLN 63 0.878 0.288 0.288 504 H THR 64 HN THR 64 -2.635 3.988 3.988 505 HA THR 64 HA THR 64 -4.392 3.766 3.766 506 HB THR 64 HB THR 64 -4.236 0.830 0.830 507 HG1 THR 64 HG1 THR 64 -4.871 1.355 1.355 508 1HG2 THR 64 HG23 THR 64 -5.641 1.777 1.777 509 2HG2 THR 64 HG22 THR 64 -6.675 2.452 2.452 510 3HG2 THR 64 HG21 THR 64 -6.451 0.707 0.707 511 H HIS 65 HN HIS 65 -2.160 4.156 4.156 512 HA HIS 65 HA HIS 65 -0.970 2.049 2.049 513 1HB HIS 65 HB2 HIS 65 -0.864 4.946 4.946 514 2HB HIS 65 HB1 HIS 65 -0.411 4.426 4.426 515 HD1 HIS 65 HD1 HIS 65 1.200 5.642 5.642 516 HD2 HIS 65 HD2 HIS 65 1.295 1.737 1.737 517 HE1 HIS 65 HE1 HIS 65 3.281 4.583 4.583 518 H GLN 66 HN GLN 66 -0.896 2.684 2.684 519 HA GLN 66 HA GLN 66 -3.698 3.006 3.006 520 1HB GLN 66 HB2 GLN 66 -3.159 1.050 1.050 521 2HB GLN 66 HB1 GLN 66 -3.280 0.713 0.713 522 1HG GLN 66 HG2 GLN 66 -0.527 1.244 1.244 523 2HG GLN 66 HG1 GLN 66 -1.038 0.158 0.158 524 1HE2 GLN 66 HE22 GLN 66 -1.016 -0.866 -0.866 525 2HE2 GLN 66 HE21 GLN 66 -0.894 0.767 0.767 526 H ASP 67 HN ASP 67 -0.359 2.656 2.656 527 HA ASP 67 HA ASP 67 -0.979 4.332 4.332 528 1HB ASP 67 HB2 ASP 67 0.471 2.369 2.369 529 2HB ASP 67 HB1 ASP 67 1.506 3.128 3.128 530 HA PRO 68 HA PRO 68 2.040 7.267 7.267 531 1HB PRO 68 HB2 PRO 68 2.343 7.022 7.022 532 2HB PRO 68 HB1 PRO 68 3.351 6.179 6.179 533 1HG PRO 68 HG2 PRO 68 1.119 5.209 5.209 534 2HG PRO 68 HG1 PRO 68 2.554 4.325 4.325 535 1HD PRO 68 HD2 PRO 68 0.081 4.075 4.075 536 2HD PRO 68 HD1 PRO 68 1.601 3.585 3.585 537 H ILE 69 HN ILE 69 -0.932 6.331 6.331 538 HA ILE 69 HA ILE 69 -1.557 9.252 9.252 539 HB ILE 69 HB ILE 69 -1.907 9.204 9.204 540 1HG1 ILE 69 HG12 ILE 69 -3.632 7.604 7.604 541 2HG1 ILE 69 HG11 ILE 69 -2.233 6.953 6.953 542 1HG2 ILE 69 HG22 ILE 69 0.453 8.515 8.515 543 2HG2 ILE 69 HG21 ILE 69 -0.031 6.839 6.839 544 3HG2 ILE 69 HG23 ILE 69 -0.117 8.001 8.001 545 1HD1 ILE 69 HD11 ILE 69 -1.652 5.680 5.680 546 2HD1 ILE 69 HD13 ILE 69 -3.332 5.954 5.954 547 3HD1 ILE 69 HD12 ILE 69 -2.951 5.091 5.091 548 HA PRO 70 HA PRO 70 -5.119 6.393 6.393 549 1HB PRO 70 HB2 PRO 70 -5.084 7.205 7.205 550 2HB PRO 70 HB1 PRO 70 -4.283 5.713 5.713 551 1HG PRO 70 HG2 PRO 70 -3.232 8.478 8.478 552 2HG PRO 70 HG1 PRO 70 -2.502 6.912 6.912 553 1HD PRO 70 HD2 PRO 70 -1.629 8.353 8.353 554 2HD PRO 70 HD1 PRO 70 -1.744 6.566 6.566 555 H LYS 71 HN LYS 71 -4.100 9.670 9.670 556 HA LYS 71 HA LYS 71 -6.462 10.937 10.937 557 1HB LYS 71 HB2 LYS 71 -5.459 12.925 12.925 558 2HB LYS 71 HB1 LYS 71 -4.353 12.102 12.102 559 1HG LYS 71 HG2 LYS 71 -3.971 10.805 10.805 560 2HG LYS 71 HG1 LYS 71 -4.145 12.523 12.523 561 1HD LYS 71 HD2 LYS 71 -1.902 11.889 11.889 562 2HD LYS 71 HD1 LYS 71 -2.369 13.056 13.056 563 1HE LYS 71 HE2 LYS 71 -2.666 11.151 11.151 564 2HE LYS 71 HE1 LYS 71 -2.208 10.016 10.016 565 1HZ LYS 71 HZ2 LYS 71 -0.107 11.189 11.189 566 2HZ LYS 71 HZ1 LYS 71 -0.526 12.266 12.266 567 3HZ LYS 71 HZ3 LYS 71 -0.282 10.624 10.624 568 H GLN 72 HN GLN 72 -5.475 10.006 10.006 569 HA GLN 72 HA GLN 72 -8.270 9.978 9.978 570 1HB GLN 72 HB2 GLN 72 -7.261 11.633 11.633 571 2HB GLN 72 HB1 GLN 72 -8.176 12.193 12.193 572 1HG GLN 72 HG2 GLN 72 -6.350 13.551 13.551 573 2HG GLN 72 HG1 GLN 72 -5.811 12.393 12.393 574 1HE2 GLN 72 HE22 GLN 72 -3.333 11.116 11.116 575 2HE2 GLN 72 HE21 GLN 72 -4.284 10.584 10.584 576 HA PRO 73 HA PRO 73 -6.612 7.042 7.042 577 1HB PRO 73 HB2 PRO 73 -7.894 7.581 7.581 578 2HB PRO 73 HB1 PRO 73 -8.706 6.764 6.764 579 1HG PRO 73 HG2 PRO 73 -8.773 9.677 9.677 580 2HG PRO 73 HG1 PRO 73 -10.131 8.620 8.620 581 1HD PRO 73 HD2 PRO 73 -9.016 10.334 10.334 582 2HD PRO 73 HD1 PRO 73 -9.526 8.720 8.720 583 H SER 74 HN SER 74 -6.998 10.258 10.258 584 HA SER 74 HA SER 74 -5.534 11.486 11.486 585 1HB SER 74 HB2 SER 74 -4.584 11.030 11.030 586 2HB SER 74 HB1 SER 74 -3.259 10.341 10.341 587 HG SER 74 HG SER 74 -2.761 12.451 12.451 588 H SER 75 HN SER 75 -6.190 9.022 9.022 589 HA SER 75 HA SER 75 -4.284 8.700 8.700 590 1HB SER 75 HB2 SER 75 -3.501 7.481 7.481 591 2HB SER 75 HB1 SER 75 -3.663 6.260 6.260 592 HG SER 75 HG SER 75 -1.929 8.422 8.422 593 H GLN 76 HN GLN 76 -6.550 6.958 6.958 594 HA GLN 76 HA GLN 76 -7.272 4.950 4.950 595 1HB GLN 76 HB2 GLN 76 -8.451 5.868 5.868 596 2HB GLN 76 HB1 GLN 76 -9.087 4.528 4.528 597 1HG GLN 76 HG2 GLN 76 -7.646 3.297 3.297 598 2HG GLN 76 HG1 GLN 76 -6.463 3.857 3.857 599 1HE2 GLN 76 HE22 GLN 76 -4.741 5.897 5.897 600 2HE2 GLN 76 HE21 GLN 76 -4.862 5.381 5.381 601 HA PRO 77 HA PRO 77 -11.227 7.647 7.647 602 1HB PRO 77 HB2 PRO 77 -11.107 10.244 10.244 603 2HB PRO 77 HB1 PRO 77 -11.676 8.878 8.878 604 1HG PRO 77 HG2 PRO 77 -9.055 10.241 10.241 605 2HG PRO 77 HG1 PRO 77 -10.002 9.622 9.622 606 1HD PRO 77 HD2 PRO 77 -7.860 8.379 8.379 607 2HD PRO 77 HD1 PRO 77 -9.206 7.502 7.502 608 H ARG 78 HN ARG 78 -7.996 8.750 8.750 609 HA ARG 78 HA ARG 78 -8.812 10.068 10.068 610 1HB ARG 78 HB2 ARG 78 -7.453 12.049 12.049 611 2HB ARG 78 HB1 ARG 78 -8.544 11.572 11.572 612 1HG ARG 78 HG2 ARG 78 -6.732 10.327 10.327 613 2HG ARG 78 HG1 ARG 78 -5.615 10.939 10.939 614 1HD ARG 78 HD2 ARG 78 -7.337 12.885 12.885 615 2HD ARG 78 HD1 ARG 78 -5.880 12.204 12.204 616 HE ARG 78 HE ARG 78 -4.835 12.910 12.910 617 1HH1 ARG 78 HH21 ARG 78 -6.566 14.718 14.718 618 2HH1 ARG 78 HH22 ARG 78 -6.355 16.223 16.223 619 1HH2 ARG 78 HH11 ARG 78 -4.796 14.793 14.793 620 2HH2 ARG 78 HH12 ARG 78 -5.350 16.266 16.266 621 H GLY 79 HN GLY 79 -7.551 7.430 7.430 622 1HA GLY 79 HA2 GLY 79 -5.239 7.748 7.748 623 2HA GLY 79 HA1 GLY 79 -4.824 7.211 7.211 624 H ASP 80 HN ASP 80 -4.884 5.046 5.046 625 HA ASP 80 HA ASP 80 -5.707 3.226 3.226 626 1HB ASP 80 HB2 ASP 80 -3.778 2.851 2.851 627 2HB ASP 80 HB1 ASP 80 -4.875 2.771 2.771 628 HA PRO 81 HA PRO 81 -9.913 2.841 2.841 629 1HB PRO 81 HB2 PRO 81 -10.571 0.612 0.612 630 2HB PRO 81 HB1 PRO 81 -10.423 2.227 2.227 631 1HG PRO 81 HG2 PRO 81 -8.463 -0.024 -0.024 632 2HG PRO 81 HG1 PRO 81 -8.884 1.082 1.082 633 1HD PRO 81 HD2 PRO 81 -6.643 1.340 1.340 634 2HD PRO 81 HD1 PRO 81 -7.472 2.727 2.727 635 H THR 82 HN THR 82 -9.261 2.254 2.254 636 HA THR 82 HA THR 82 -8.465 -0.414 -0.414 637 HB THR 82 HB THR 82 -9.330 0.515 0.515 638 HG1 THR 82 HG1 THR 82 -10.534 2.201 2.201 639 1HG2 THR 82 HG23 THR 82 -6.955 0.654 0.654 640 2HG2 THR 82 HG22 THR 82 -7.331 2.376 2.376 641 3HG2 THR 82 HG21 THR 82 -7.258 1.469 1.469 642 H GLY 83 HN GLY 83 -11.617 1.273 1.273 643 1HA GLY 83 HA2 GLY 83 -13.238 -0.930 -0.930 644 2HA GLY 83 HA1 GLY 83 -12.968 -1.052 -1.052 645 HA PRO 84 HA PRO 84 -16.172 2.096 2.096 646 1HB PRO 84 HB2 PRO 84 -16.577 1.859 1.859 647 2HB PRO 84 HB1 PRO 84 -17.118 0.656 0.656 648 1HG PRO 84 HG2 PRO 84 -15.022 0.399 0.399 649 2HG PRO 84 HG1 PRO 84 -15.574 -0.851 -0.851 650 1HD PRO 84 HD2 PRO 84 -13.341 0.969 0.969 651 2HD PRO 84 HD1 PRO 84 -13.415 -0.635 -0.635 652 H LYS 85 HN LYS 85 -13.037 2.671 2.671 653 HA LYS 85 HA LYS 85 -13.464 5.003 5.003 654 1HB LYS 85 HB2 LYS 85 -10.997 3.944 3.944 655 2HB LYS 85 HB1 LYS 85 -11.010 5.107 5.107 656 1HG LYS 85 HG2 LYS 85 -11.915 2.204 2.204 657 2HG LYS 85 HG1 LYS 85 -10.476 2.900 2.900 658 1HD LYS 85 HD2 LYS 85 -13.304 3.769 3.769 659 2HD LYS 85 HD1 LYS 85 -12.339 2.630 2.630 660 1HE LYS 85 HE2 LYS 85 -10.644 4.308 4.308 661 2HE LYS 85 HE1 LYS 85 -11.453 5.481 5.481 662 1HZ LYS 85 HZ2 LYS 85 -13.468 5.210 5.210 663 2HZ LYS 85 HZ1 LYS 85 -12.606 4.205 4.205 664 3HZ LYS 85 HZ3 LYS 85 -12.166 5.834 5.834 665 H GLU 86 HN GLU 86 -13.948 4.534 4.534 666 HA GLU 86 HA GLU 86 -12.568 6.835 6.835 667 1HB GLU 86 HB2 GLU 86 -14.866 5.085 5.085 668 2HB GLU 86 HB1 GLU 86 -14.025 6.266 6.266 669 1HG GLU 86 HG2 GLU 86 -11.900 5.052 5.052 670 2HG GLU 86 HG1 GLU 86 -12.903 3.826 3.826 Start of MODEL 4 1 1H LEU 1 HT3 LEU 1 15.052 -10.138 -10.138 2 2H LEU 1 HT2 LEU 1 13.658 -11.071 -11.071 3 3H LEU 1 HT1 LEU 1 14.083 -10.616 -10.616 4 HA LEU 1 HA LEU 1 12.382 -9.127 -9.127 5 1HB LEU 1 HB2 LEU 1 12.162 -8.185 -8.185 6 2HB LEU 1 HB1 LEU 1 12.405 -9.932 -9.932 7 HG LEU 1 HG LEU 1 14.989 -8.727 -8.727 8 1HD1 LEU 1 HD11 LEU 1 13.524 -6.681 -6.681 9 2HD1 LEU 1 HD13 LEU 1 13.355 -7.510 -7.510 10 3HD1 LEU 1 HD12 LEU 1 14.955 -7.051 -7.051 11 1HD2 LEU 1 HD22 LEU 1 14.109 -10.826 -10.826 12 2HD2 LEU 1 HD21 LEU 1 15.265 -9.838 -9.838 13 3HD2 LEU 1 HD23 LEU 1 13.545 -9.744 -9.744 14 H ASP 2 HN ASP 2 12.509 -6.652 -6.652 15 HA ASP 2 HA ASP 2 13.451 -4.641 -4.641 16 1HB ASP 2 HB2 ASP 2 14.511 -5.267 -5.267 17 2HB ASP 2 HB1 ASP 2 15.924 -5.703 -5.703 18 HA PRO 3 HA PRO 3 16.094 -6.608 -6.608 19 1HB PRO 3 HB2 PRO 3 14.227 -7.477 -7.477 20 2HB PRO 3 HB1 PRO 3 14.808 -8.459 -8.459 21 1HG PRO 3 HG2 PRO 3 12.189 -7.216 -7.216 22 2HG PRO 3 HG1 PRO 3 12.708 -8.483 -8.483 23 1HD PRO 3 HD2 PRO 3 12.487 -5.589 -5.589 24 2HD PRO 3 HD1 PRO 3 12.438 -6.878 -6.878 25 H VAL 4 HN VAL 4 13.230 -5.718 -5.718 26 HA VAL 4 HA VAL 4 14.578 -3.487 -3.487 27 HB VAL 4 HB VAL 4 11.839 -4.781 -4.781 28 1HG1 VAL 4 HG12 VAL 4 12.442 -2.116 -2.116 29 2HG1 VAL 4 HG11 VAL 4 11.410 -3.247 -3.247 30 3HG1 VAL 4 HG13 VAL 4 10.955 -2.707 -2.707 31 1HG2 VAL 4 HG23 VAL 4 13.624 -5.849 -5.849 32 2HG2 VAL 4 HG22 VAL 4 12.356 -5.259 -5.259 33 3HG2 VAL 4 HG21 VAL 4 13.875 -4.372 -4.372 34 H ASP 5 HN ASP 5 11.500 -3.576 -3.576 35 HA ASP 5 HA ASP 5 12.310 -1.242 -1.242 36 1HB ASP 5 HB2 ASP 5 11.086 -0.068 -0.068 37 2HB ASP 5 HB1 ASP 5 10.110 -1.412 -1.412 38 HA PRO 6 HA PRO 6 9.413 -4.034 -4.034 39 1HB PRO 6 HB2 PRO 6 7.069 -4.829 -4.829 40 2HB PRO 6 HB1 PRO 6 7.279 -3.171 -3.171 41 1HG PRO 6 HG2 PRO 6 6.920 -4.101 -4.101 42 2HG PRO 6 HG1 PRO 6 6.985 -2.390 -2.390 43 1HD PRO 6 HD2 PRO 6 9.093 -4.058 -4.058 44 2HD PRO 6 HD1 PRO 6 8.858 -2.304 -2.304 45 H ASN 7 HN ASN 7 7.850 -6.463 -6.463 46 HA ASN 7 HA ASN 7 10.003 -8.226 -8.226 47 1HB ASN 7 HB2 ASN 7 7.142 -8.513 -8.513 48 2HB ASN 7 HB1 ASN 7 7.997 -9.907 -9.907 49 1HD2 ASN 7 HD22 ASN 7 8.793 -8.840 -8.840 50 2HD2 ASN 7 HD21 ASN 7 7.493 -8.184 -8.184 51 H ILE 8 HN ILE 8 6.742 -7.531 -7.531 52 HA ILE 8 HA ILE 8 7.858 -8.161 -8.161 53 HB ILE 8 HB ILE 8 6.060 -9.604 -9.604 54 1HG1 ILE 8 HG12 ILE 8 4.134 -8.297 -8.297 55 2HG1 ILE 8 HG11 ILE 8 4.073 -9.889 -9.889 56 1HG2 ILE 8 HG21 ILE 8 7.702 -10.469 -10.469 57 2HG2 ILE 8 HG23 ILE 8 6.432 -10.179 -10.179 58 3HG2 ILE 8 HG22 ILE 8 6.168 -11.328 -11.328 59 1HD1 ILE 8 HD12 ILE 8 5.263 -8.878 -8.878 60 2HD1 ILE 8 HD11 ILE 8 4.813 -7.314 -7.314 61 3HD1 ILE 8 HD13 ILE 8 3.564 -8.477 -8.477 62 H GLU 9 HN GLU 9 7.123 -5.591 -5.591 63 HA GLU 9 HA GLU 9 5.961 -3.571 -3.571 64 1HB GLU 9 HB2 GLU 9 6.227 -4.840 -4.840 65 2HB GLU 9 HB1 GLU 9 5.683 -3.184 -3.184 66 1HG GLU 9 HG2 GLU 9 7.733 -2.437 -2.437 67 2HG GLU 9 HG1 GLU 9 8.227 -3.995 -3.995 68 HA PRO 10 HA PRO 10 1.925 -5.761 -5.761 69 1HB PRO 10 HB2 PRO 10 1.300 -5.988 -5.988 70 2HB PRO 10 HB1 PRO 10 2.438 -6.920 -6.920 71 1HG PRO 10 HG2 PRO 10 3.142 -5.007 -5.007 72 2HG PRO 10 HG1 PRO 10 3.945 -6.527 -6.527 73 1HD PRO 10 HD2 PRO 10 4.589 -3.897 -3.897 74 2HD PRO 10 HD1 PRO 10 5.304 -5.454 -5.454 75 H TRP 11 HN TRP 11 2.642 -2.743 -2.743 76 HA TRP 11 HA TRP 11 0.185 -1.731 -1.731 77 1HB TRP 11 HB2 TRP 11 2.585 -0.196 -0.196 78 2HB TRP 11 HB1 TRP 11 1.325 0.416 0.416 79 HD1 TRP 11 HD1 TRP 11 3.994 -2.388 -2.388 80 HE1 TRP 11 HE1 TRP 11 4.951 -2.545 -2.545 81 HE3 TRP 11 HE3 TRP 11 1.177 1.182 1.182 82 HZ2 TRP 11 HZ2 TRP 11 4.570 -1.307 -1.307 83 HZ3 TRP 11 HZ3 TRP 11 1.504 1.666 1.666 84 HH2 TRP 11 HH2 TRP 11 3.191 0.432 0.432 85 H ASN 12 HN ASN 12 0.662 -2.969 -2.969 86 HA ASN 12 HA ASN 12 -0.502 -0.703 -0.703 87 1HB ASN 12 HB2 ASN 12 0.964 -3.065 -3.065 88 2HB ASN 12 HB1 ASN 12 0.794 -1.412 -1.412 89 1HD2 ASN 12 HD22 ASN 12 3.657 -2.198 -2.198 90 2HD2 ASN 12 HD21 ASN 12 2.358 -3.268 -3.268 91 H HIS 13 HN HIS 13 -2.576 -1.052 -1.052 92 HA HIS 13 HA HIS 13 -3.520 -3.851 -3.851 93 1HB HIS 13 HB2 HIS 13 -4.770 -1.671 -1.671 94 2HB HIS 13 HB1 HIS 13 -5.596 -3.178 -3.178 95 HD1 HIS 13 HD1 HIS 13 -4.126 -5.408 -5.408 96 HD2 HIS 13 HD2 HIS 13 -3.227 -1.774 -1.774 97 HE1 HIS 13 HE1 HIS 13 -2.859 -5.969 -5.969 98 HA PRO 14 HA PRO 14 -5.647 -2.017 -2.017 99 1HB PRO 14 HB2 PRO 14 -7.991 -3.540 -3.540 100 2HB PRO 14 HB1 PRO 14 -6.441 -4.149 -4.149 101 1HG PRO 14 HG2 PRO 14 -7.980 -4.500 -4.500 102 2HG PRO 14 HG1 PRO 14 -6.904 -5.669 -5.669 103 1HD PRO 14 HD2 PRO 14 -6.381 -4.075 -4.075 104 2HD PRO 14 HD1 PRO 14 -5.095 -4.991 -4.991 105 H GLY 15 HN GLY 15 -7.220 -2.149 -2.149 106 1HA GLY 15 HA2 GLY 15 -8.674 -0.729 -0.729 107 2HA GLY 15 HA1 GLY 15 -8.534 0.429 0.429 108 H SER 16 HN SER 16 -9.388 -2.969 -2.969 109 HA SER 16 HA SER 16 -12.292 -2.419 -2.419 110 1HB SER 16 HB2 SER 16 -10.986 -1.824 -1.824 111 2HB SER 16 HB1 SER 16 -10.644 -3.543 -3.543 112 HG SER 16 HG SER 16 -12.659 -3.812 -3.812 113 H GLN 17 HN GLN 17 -9.968 -4.442 -4.442 114 HA GLN 17 HA GLN 17 -11.784 -6.791 -6.791 115 1HB GLN 17 HB2 GLN 17 -8.882 -6.691 -6.691 116 2HB GLN 17 HB1 GLN 17 -9.826 -8.151 -8.151 117 1HG GLN 17 HG2 GLN 17 -10.574 -8.448 -8.448 118 2HG GLN 17 HG1 GLN 17 -11.540 -7.002 -7.002 119 1HE2 GLN 17 HE22 GLN 17 -9.712 -5.372 -5.372 120 2HE2 GLN 17 HE21 GLN 17 -11.171 -5.522 -5.522 121 HA PRO 18 HA PRO 18 -8.645 -7.570 -7.570 122 1HB PRO 18 HB2 PRO 18 -6.886 -5.521 -5.521 123 2HB PRO 18 HB1 PRO 18 -6.500 -6.891 -6.891 124 1HG PRO 18 HG2 PRO 18 -7.523 -4.157 -4.157 125 2HG PRO 18 HG1 PRO 18 -6.144 -5.060 -5.060 126 1HD PRO 18 HD2 PRO 18 -8.354 -4.921 -4.921 127 2HD PRO 18 HD1 PRO 18 -7.545 -6.513 -6.513 128 H LYS 19 HN LYS 19 -9.999 -4.418 -4.418 129 HA LYS 19 HA LYS 19 -11.076 -4.335 -4.335 130 1HB LYS 19 HB2 LYS 19 -10.665 -1.875 -1.875 131 2HB LYS 19 HB1 LYS 19 -9.165 -2.781 -2.781 132 1HG LYS 19 HG2 LYS 19 -9.225 -2.457 -2.457 133 2HG LYS 19 HG1 LYS 19 -10.782 -1.619 -1.619 134 1HD LYS 19 HD2 LYS 19 -8.741 -0.465 -0.465 135 2HD LYS 19 HD1 LYS 19 -8.244 -0.470 -0.470 136 1HE LYS 19 HE2 LYS 19 -10.329 0.650 0.650 137 2HE LYS 19 HE1 LYS 19 -10.870 0.655 0.655 138 1HZ LYS 19 HZ2 LYS 19 -8.680 1.769 1.769 139 2HZ LYS 19 HZ1 LYS 19 -8.463 1.971 1.971 140 3HZ LYS 19 HZ3 LYS 19 -9.766 2.721 2.721 141 H THR 20 HN THR 20 -12.286 -5.391 -5.391 142 HA THR 20 HA THR 20 -14.662 -3.623 -3.623 143 HB THR 20 HB THR 20 -12.664 -4.330 -4.330 144 HG1 THR 20 HG1 THR 20 -12.169 -2.339 -2.339 145 1HG2 THR 20 HG23 THR 20 -15.531 -3.397 -3.397 146 2HG2 THR 20 HG22 THR 20 -14.316 -3.257 -3.257 147 3HG2 THR 20 HG21 THR 20 -14.785 -4.846 -4.846 148 H ALA 21 HN ALA 21 -13.073 -6.491 -6.491 149 HA ALA 21 HA ALA 21 -15.528 -7.764 -7.764 150 1HB ALA 21 HB2 ALA 21 -13.335 -8.072 -8.072 151 2HB ALA 21 HB1 ALA 21 -12.728 -8.833 -8.833 152 3HB ALA 21 HB3 ALA 21 -13.996 -9.619 -9.619 153 H CYS 22 HN CYS 22 -15.171 -7.191 -7.191 154 HA CYS 22 HA CYS 22 -15.623 -8.314 -8.314 155 1HB CYS 22 HB2 CYS 22 -17.328 -9.216 -9.216 156 2HB CYS 22 HB1 CYS 22 -17.087 -10.543 -10.543 157 HG CYS 22 HG CYS 22 -18.517 -7.870 -7.870 158 H ASN 23 HN ASN 23 -13.248 -9.087 -9.087 159 HA ASN 23 HA ASN 23 -12.803 -11.925 -11.925 160 1HB ASN 23 HB2 ASN 23 -10.794 -11.373 -11.373 161 2HB ASN 23 HB1 ASN 23 -11.823 -9.985 -9.985 162 1HD2 ASN 23 HD22 ASN 23 -10.224 -7.684 -7.684 163 2HD2 ASN 23 HD21 ASN 23 -11.806 -8.184 -8.184 164 H ARG 24 HN ARG 24 -12.233 -9.225 -9.225 165 HA ARG 24 HA ARG 24 -11.861 -10.871 -10.871 166 1HB ARG 24 HB2 ARG 24 -9.259 -10.240 -10.240 167 2HB ARG 24 HB1 ARG 24 -9.817 -11.687 -11.687 168 1HG ARG 24 HG2 ARG 24 -9.126 -10.989 -10.989 169 2HG ARG 24 HG1 ARG 24 -9.775 -9.359 -9.359 170 1HD ARG 24 HD2 ARG 24 -7.744 -8.770 -8.770 171 2HD ARG 24 HD1 ARG 24 -7.818 -9.122 -9.122 172 HE ARG 24 HE ARG 24 -6.598 -11.203 -11.203 173 1HH1 ARG 24 HH21 ARG 24 -7.250 -12.668 -12.668 174 2HH1 ARG 24 HH22 ARG 24 -6.269 -12.183 -12.183 175 1HH2 ARG 24 HH11 ARG 24 -5.359 -9.148 -9.148 176 2HH2 ARG 24 HH12 ARG 24 -5.194 -10.181 -10.181 177 H CYS 25 HN CYS 25 -9.551 -8.241 -8.241 178 HA CYS 25 HA CYS 25 -9.481 -6.077 -6.077 179 1HB CYS 25 HB2 CYS 25 -11.811 -6.333 -6.333 180 2HB CYS 25 HB1 CYS 25 -12.414 -6.066 -6.066 181 HG CYS 25 HG CYS 25 -12.016 -3.683 -3.683 182 H HIS 26 HN HIS 26 -9.000 -8.047 -8.047 183 HA HIS 26 HA HIS 26 -9.837 -6.803 -6.803 184 1HB HIS 26 HB2 HIS 26 -10.951 -9.015 -9.015 185 2HB HIS 26 HB1 HIS 26 -11.883 -7.920 -7.920 186 HD1 HIS 26 HD1 HIS 26 -13.090 -10.488 -10.488 187 HD2 HIS 26 HD2 HIS 26 -9.699 -9.715 -9.715 188 HE1 HIS 26 HE1 HIS 26 -13.065 -12.202 -12.202 189 H CYS 27 HN CYS 27 -8.382 -9.697 -9.697 190 HA CYS 27 HA CYS 27 -6.670 -10.118 -10.118 191 1HB CYS 27 HB2 CYS 27 -6.532 -12.270 -12.270 192 2HB CYS 27 HB1 CYS 27 -7.982 -11.813 -11.813 193 HG CYS 27 HG CYS 27 -6.737 -11.802 -11.802 194 H LYS 28 HN LYS 28 -6.608 -8.495 -8.495 195 HA LYS 28 HA LYS 28 -3.759 -8.730 -8.730 196 1HB LYS 28 HB2 LYS 28 -5.225 -8.353 -8.353 197 2HB LYS 28 HB1 LYS 28 -6.097 -7.114 -7.114 198 1HG LYS 28 HG2 LYS 28 -3.900 -5.757 -5.757 199 2HG LYS 28 HG1 LYS 28 -3.404 -6.868 -6.868 200 1HD LYS 28 HD2 LYS 28 -5.558 -4.779 -4.779 201 2HD LYS 28 HD1 LYS 28 -4.414 -5.104 -5.104 202 1HE LYS 28 HE2 LYS 28 -5.657 -7.154 -7.154 203 2HE LYS 28 HE1 LYS 28 -6.799 -6.854 -6.854 204 1HZ LYS 28 HZ2 LYS 28 -7.159 -4.607 -4.607 205 2HZ LYS 28 HZ1 LYS 28 -6.272 -5.087 -5.087 206 3HZ LYS 28 HZ3 LYS 28 -7.722 -5.874 -5.874 207 H LYS 29 HN LYS 29 -5.802 -5.974 -5.974 208 HA LYS 29 HA LYS 29 -3.400 -4.590 -4.590 209 1HB LYS 29 HB2 LYS 29 -4.615 -2.672 -2.672 210 2HB LYS 29 HB1 LYS 29 -5.470 -3.712 -3.712 211 1HG LYS 29 HG2 LYS 29 -6.358 -3.315 -3.315 212 2HG LYS 29 HG1 LYS 29 -6.910 -2.340 -2.340 213 1HD LYS 29 HD2 LYS 29 -7.288 -4.912 -4.912 214 2HD LYS 29 HD1 LYS 29 -7.605 -5.081 -5.081 215 1HE LYS 29 HE2 LYS 29 -9.695 -4.509 -4.509 216 2HE LYS 29 HE1 LYS 29 -9.096 -2.960 -2.960 217 1HZ LYS 29 HZ3 LYS 29 -8.722 -3.969 -3.969 218 2HZ LYS 29 HZ2 LYS 29 -9.815 -2.752 -2.752 219 3HZ LYS 29 HZ1 LYS 29 -8.144 -2.489 -2.489 220 H CYS 30 HN CYS 30 -6.123 -6.437 -6.437 221 HA CYS 30 HA CYS 30 -7.073 -6.746 -6.746 222 1HB CYS 30 HB2 CYS 30 -4.899 -8.026 -8.026 223 2HB CYS 30 HB1 CYS 30 -4.118 -6.949 -6.949 224 HG CYS 30 HG CYS 30 -5.108 -8.443 -8.443 225 H CYS 31 HN CYS 31 -4.715 -5.897 -5.897 226 HA CYS 31 HA CYS 31 -5.497 -3.035 -3.035 227 1HB CYS 31 HB2 CYS 31 -6.111 -3.497 -3.497 228 2HB CYS 31 HB1 CYS 31 -7.195 -4.227 -4.227 229 HG CYS 31 HG CYS 31 -5.977 -5.828 -5.828 230 H TYR 32 HN TYR 32 -3.107 -3.174 -3.174 231 HA TYR 32 HA TYR 32 -1.419 -2.820 -2.820 232 1HB TYR 32 HB2 TYR 32 0.300 -4.383 -4.383 233 2HB TYR 32 HB1 TYR 32 -1.138 -5.253 -5.253 234 HD1 TYR 32 HD1 TYR 32 -2.891 -5.513 -5.513 235 HD2 TYR 32 HD2 TYR 32 1.316 -4.713 -4.713 236 HE1 TYR 32 HE1 TYR 32 -2.869 -6.388 -6.388 237 HE2 TYR 32 HE2 TYR 32 1.332 -5.565 -5.565 238 HH TYR 32 HH TYR 32 -1.390 -6.021 -6.021 239 H HIS 33 HN HIS 33 -2.301 -0.841 -0.841 240 HA HIS 33 HA HIS 33 -1.572 1.039 1.039 241 1HB HIS 33 HB2 HIS 33 1.109 -0.456 -0.456 242 2HB HIS 33 HB1 HIS 33 0.886 1.103 1.103 243 HD1 HIS 33 HD1 HIS 33 0.210 3.135 3.135 244 HD2 HIS 33 HD2 HIS 33 0.902 -0.339 -0.339 245 HE1 HIS 33 HE1 HIS 33 0.400 3.847 3.847 246 H CYS 34 HN CYS 34 -1.912 -2.007 -2.007 247 HA CYS 34 HA CYS 34 -2.159 -2.903 -2.903 248 1HB CYS 34 HB2 CYS 34 -2.389 0.011 0.011 249 2HB CYS 34 HB1 CYS 34 -3.071 -1.306 -1.306 250 HG CYS 34 HG CYS 34 -5.080 -0.807 -0.807 251 H GLN 35 HN GLN 35 0.074 -3.639 -3.639 252 HA GLN 35 HA GLN 35 1.863 -1.947 -1.947 253 1HB GLN 35 HB2 GLN 35 2.496 -4.334 -4.334 254 2HB GLN 35 HB1 GLN 35 3.664 -3.294 -3.294 255 1HG GLN 35 HG2 GLN 35 1.822 -2.495 -2.495 256 2HG GLN 35 HG1 GLN 35 3.590 -2.580 -2.580 257 1HE2 GLN 35 HE22 GLN 35 2.025 0.889 0.889 258 2HE2 GLN 35 HE21 GLN 35 1.235 -0.320 -0.320 259 H VAL 36 HN VAL 36 0.578 -5.239 -5.239 260 HA VAL 36 HA VAL 36 0.201 -6.996 -6.996 261 HB VAL 36 HB VAL 36 0.696 -4.941 -4.941 262 1HG1 VAL 36 HG13 VAL 36 -1.087 -7.356 -7.356 263 2HG1 VAL 36 HG12 VAL 36 -1.114 -6.214 -6.214 264 3HG1 VAL 36 HG11 VAL 36 0.336 -7.162 -7.162 265 1HG2 VAL 36 HG22 VAL 36 -0.930 -3.997 -3.997 266 2HG2 VAL 36 HG21 VAL 36 -1.504 -4.115 -4.115 267 3HG2 VAL 36 HG23 VAL 36 -2.007 -5.312 -5.312 268 H CYS 37 HN CYS 37 2.548 -7.464 -7.464 269 HA CYS 37 HA CYS 37 4.733 -8.280 -8.280 270 1HB CYS 37 HB2 CYS 37 2.992 -9.498 -9.498 271 2HB CYS 37 HB1 CYS 37 3.933 -8.697 -8.697 272 HG CYS 37 HG CYS 37 4.828 -11.180 -11.180 273 H PHE 38 HN PHE 38 4.964 -5.631 -5.631 274 HA PHE 38 HA PHE 38 6.027 -4.632 -4.632 275 1HB PHE 38 HB2 PHE 38 5.983 -2.498 -2.498 276 2HB PHE 38 HB1 PHE 38 4.524 -3.350 -3.350 277 HD1 PHE 38 HD1 PHE 38 6.103 -5.108 -5.108 278 HD2 PHE 38 HD2 PHE 38 6.057 -0.918 -0.918 279 HE1 PHE 38 HE1 PHE 38 6.736 -4.578 -4.578 280 HE2 PHE 38 HE2 PHE 38 6.697 -0.395 -0.395 281 HZ PHE 38 HZ PHE 38 7.027 -2.228 -2.228 282 H ILE 39 HN ILE 39 7.979 -2.865 -2.865 283 HA ILE 39 HA ILE 39 10.365 -4.211 -4.211 284 HB ILE 39 HB ILE 39 11.431 -2.418 -2.418 285 1HG1 ILE 39 HG12 ILE 39 8.907 -1.052 -1.052 286 2HG1 ILE 39 HG11 ILE 39 9.043 -2.472 -2.472 287 1HG2 ILE 39 HG21 ILE 39 9.747 -2.172 -2.172 288 2HG2 ILE 39 HG23 ILE 39 9.456 -0.758 -0.758 289 3HG2 ILE 39 HG22 ILE 39 11.090 -1.130 -1.130 290 1HD1 ILE 39 HD13 ILE 39 11.474 -0.769 -0.769 291 2HD1 ILE 39 HD12 ILE 39 10.123 -0.159 -0.159 292 3HD1 ILE 39 HD11 ILE 39 10.874 -1.696 -1.696 293 H THR 40 HN THR 40 8.733 -4.200 -4.200 294 HA THR 40 HA THR 40 10.873 -6.064 -6.064 295 HB THR 40 HB THR 40 8.926 -4.278 -4.278 296 HG1 THR 40 HG1 THR 40 11.696 -4.008 -4.008 297 1HG2 THR 40 HG23 THR 40 10.346 -6.502 -6.502 298 2HG2 THR 40 HG22 THR 40 11.335 -5.125 -5.125 299 3HG2 THR 40 HG21 THR 40 9.650 -5.223 -5.223 300 H LYS 41 HN LYS 41 10.246 -8.050 -8.050 301 HA LYS 41 HA LYS 41 7.708 -9.173 -9.173 302 1HB LYS 41 HB2 LYS 41 8.564 -11.162 -11.162 303 2HB LYS 41 HB1 LYS 41 9.924 -10.342 -10.342 304 1HG LYS 41 HG2 LYS 41 11.015 -10.218 -10.218 305 2HG LYS 41 HG1 LYS 41 9.738 -9.300 -9.300 306 1HD LYS 41 HD2 LYS 41 9.916 -12.324 -12.324 307 2HD LYS 41 HD1 LYS 41 10.171 -11.362 -11.362 308 1HE LYS 41 HE2 LYS 41 7.549 -11.009 -11.009 309 2HE LYS 41 HE1 LYS 41 7.777 -12.483 -12.483 310 1HZ LYS 41 HZ2 LYS 41 8.480 -9.760 -9.760 311 2HZ LYS 41 HZ1 LYS 41 6.921 -10.405 -10.405 312 3HZ LYS 41 HZ3 LYS 41 8.251 -11.172 -11.172 313 H GLY 42 HN GLY 42 8.724 -7.422 -7.422 314 1HA GLY 42 HA2 GLY 42 6.738 -8.482 -8.482 315 2HA GLY 42 HA1 GLY 42 7.642 -6.974 -6.974 316 H LEU 43 HN LEU 43 6.144 -6.909 -6.909 317 HA LEU 43 HA LEU 43 4.180 -5.921 -5.921 318 1HB LEU 43 HB2 LEU 43 3.497 -7.406 -7.406 319 2HB LEU 43 HB1 LEU 43 2.363 -6.147 -6.147 320 HG LEU 43 HG LEU 43 2.009 -7.167 -7.167 321 1HD1 LEU 43 HD13 LEU 43 4.335 -7.653 -7.653 322 2HD1 LEU 43 HD12 LEU 43 4.198 -9.112 -9.112 323 3HD1 LEU 43 HD11 LEU 43 3.182 -8.909 -8.909 324 1HD2 LEU 43 HD21 LEU 43 2.427 -9.324 -9.324 325 2HD2 LEU 43 HD23 LEU 43 0.965 -8.350 -8.350 326 3HD2 LEU 43 HD22 LEU 43 1.396 -9.509 -9.509 327 H GLY 44 HN GLY 44 6.181 -4.282 -4.282 328 1HA GLY 44 HA2 GLY 44 6.298 -2.010 -2.010 329 2HA GLY 44 HA1 GLY 44 4.729 -1.827 -1.827 330 H ILE 45 HN ILE 45 4.926 -4.329 -4.329 331 HA ILE 45 HA ILE 45 2.885 -3.217 -3.217 332 HB ILE 45 HB ILE 45 3.726 -4.973 -4.973 333 1HG1 ILE 45 HG12 ILE 45 5.373 -6.535 -6.535 334 2HG1 ILE 45 HG11 ILE 45 5.977 -4.921 -4.921 335 1HG2 ILE 45 HG21 ILE 45 3.004 -5.502 -5.502 336 2HG2 ILE 45 HG23 ILE 45 3.359 -6.859 -6.859 337 3HG2 ILE 45 HG22 ILE 45 2.045 -5.751 -5.751 338 1HD1 ILE 45 HD12 ILE 45 5.467 -5.131 -5.131 339 2HD1 ILE 45 HD11 ILE 45 6.291 -6.612 -6.612 340 3HD1 ILE 45 HD13 ILE 45 7.047 -5.045 -5.045 341 H SER 46 HN SER 46 6.437 -3.311 -3.311 342 HA SER 46 HA SER 46 6.488 -0.674 -0.674 343 1HB SER 46 HB2 SER 46 6.604 -1.301 -1.301 344 2HB SER 46 HB1 SER 46 5.059 -1.792 -1.792 345 HG SER 46 HG SER 46 7.090 -3.294 -3.294 346 H TYR 47 HN TYR 47 8.218 -2.617 -2.617 347 HA TYR 47 HA TYR 47 10.554 -3.175 -3.175 348 1HB TYR 47 HB2 TYR 47 11.518 -3.906 -3.906 349 2HB TYR 47 HB1 TYR 47 9.866 -4.508 -4.508 350 HD1 TYR 47 HD1 TYR 47 11.792 -1.657 -1.657 351 HD2 TYR 47 HD2 TYR 47 8.267 -4.101 -4.101 352 HE1 TYR 47 HE1 TYR 47 11.128 -0.598 -0.598 353 HE2 TYR 47 HE2 TYR 47 7.603 -3.047 -3.047 354 HH TYR 47 HH TYR 47 8.990 -0.207 -0.207 355 H GLY 48 HN GLY 48 9.386 -0.360 -0.360 356 1HA GLY 48 HA2 GLY 48 10.563 1.763 1.763 357 2HA GLY 48 HA1 GLY 48 12.092 0.936 0.936 358 H ARG 49 HN ARG 49 8.996 1.567 1.567 359 HA ARG 49 HA ARG 49 9.904 1.067 1.067 360 1HB ARG 49 HB2 ARG 49 7.757 2.864 2.864 361 2HB ARG 49 HB1 ARG 49 7.872 2.257 2.257 362 1HG ARG 49 HG2 ARG 49 7.536 0.003 0.003 363 2HG ARG 49 HG1 ARG 49 7.599 0.468 0.468 364 1HD ARG 49 HD2 ARG 49 5.292 0.319 0.319 365 2HD ARG 49 HD1 ARG 49 5.603 2.048 2.048 366 HE ARG 49 HE ARG 49 5.880 0.307 0.307 367 1HH1 ARG 49 HH21 ARG 49 5.676 2.391 2.391 368 2HH1 ARG 49 HH22 ARG 49 4.084 3.068 3.068 369 1HH2 ARG 49 HH11 ARG 49 3.150 1.312 1.312 370 2HH2 ARG 49 HH12 ARG 49 2.651 2.458 2.458 371 H LYS 50 HN LYS 50 10.264 2.692 2.692 372 HA LYS 50 HA LYS 50 11.545 5.187 5.187 373 1HB LYS 50 HB2 LYS 50 13.052 4.925 4.925 374 2HB LYS 50 HB1 LYS 50 13.151 3.593 3.593 375 1HG LYS 50 HG2 LYS 50 11.114 3.257 3.257 376 2HG LYS 50 HG1 LYS 50 12.778 3.302 3.302 377 1HD LYS 50 HD2 LYS 50 11.687 1.443 1.443 378 2HD LYS 50 HD1 LYS 50 12.015 1.010 1.010 379 1HE LYS 50 HE2 LYS 50 14.451 1.904 1.904 380 2HE LYS 50 HE1 LYS 50 13.949 1.709 1.709 381 1HZ LYS 50 HZ3 LYS 50 13.621 -0.397 -0.397 382 2HZ LYS 50 HZ2 LYS 50 14.922 -0.343 -0.343 383 3HZ LYS 50 HZ1 LYS 50 13.337 -0.543 -0.543 384 H LYS 51 HN LYS 51 9.013 3.963 3.963 385 HA LYS 51 HA LYS 51 7.378 5.060 5.060 386 1HB LYS 51 HB2 LYS 51 8.903 7.602 7.602 387 2HB LYS 51 HB1 LYS 51 7.316 7.472 7.472 388 1HG LYS 51 HG2 LYS 51 7.646 5.717 5.717 389 2HG LYS 51 HG1 LYS 51 7.931 7.405 7.405 390 1HD LYS 51 HD2 LYS 51 5.656 7.500 7.500 391 2HD LYS 51 HD1 LYS 51 5.657 7.565 7.565 392 1HE LYS 51 HE2 LYS 51 5.087 5.321 5.321 393 2HE LYS 51 HE1 LYS 51 5.771 4.860 4.860 394 1HZ LYS 51 HZ3 LYS 51 3.390 6.605 6.605 395 2HZ LYS 51 HZ2 LYS 51 3.347 4.984 4.984 396 3HZ LYS 51 HZ1 LYS 51 4.060 6.165 6.165 397 H ARG 52 HN ARG 52 10.650 6.423 6.423 398 HA ARG 52 HA ARG 52 10.013 6.922 6.922 399 1HB ARG 52 HB2 ARG 52 12.742 6.812 6.812 400 2HB ARG 52 HB1 ARG 52 12.256 7.771 7.771 401 1HG ARG 52 HG2 ARG 52 11.618 8.139 8.139 402 2HG ARG 52 HG1 ARG 52 12.327 9.320 9.320 403 1HD ARG 52 HD2 ARG 52 9.403 8.414 8.414 404 2HD ARG 52 HD1 ARG 52 10.061 10.031 10.031 405 HE ARG 52 HE ARG 52 9.423 8.866 8.866 406 1HH1 ARG 52 HH21 ARG 52 11.663 8.804 8.804 407 2HH1 ARG 52 HH22 ARG 52 12.327 10.396 10.396 408 1HH2 ARG 52 HH11 ARG 52 10.364 11.745 11.745 409 2HH2 ARG 52 HH12 ARG 52 11.589 12.065 12.065 410 H ARG 53 HN ARG 53 10.623 4.076 4.076 411 HA ARG 53 HA ARG 53 12.515 2.644 2.644 412 1HB ARG 53 HB2 ARG 53 11.347 0.689 0.689 413 2HB ARG 53 HB1 ARG 53 11.357 1.920 1.920 414 1HG ARG 53 HG2 ARG 53 8.946 2.017 2.017 415 2HG ARG 53 HG1 ARG 53 9.113 0.581 0.581 416 1HD ARG 53 HD2 ARG 53 9.553 2.312 2.312 417 2HD ARG 53 HD1 ARG 53 8.785 3.424 3.424 418 HE ARG 53 HE ARG 53 7.427 1.253 1.253 419 1HH1 ARG 53 HH21 ARG 53 6.903 0.417 0.417 420 2HH1 ARG 53 HH22 ARG 53 5.568 1.402 1.402 421 1HH2 ARG 53 HH11 ARG 53 6.005 3.736 3.736 422 2HH2 ARG 53 HH12 ARG 53 5.060 3.284 3.284 423 H GLN 54 HN GLN 54 9.256 3.655 3.655 424 HA GLN 54 HA GLN 54 8.672 1.801 1.801 425 1HB GLN 54 HB2 GLN 54 7.888 4.731 4.731 426 2HB GLN 54 HB1 GLN 54 7.122 3.554 3.554 427 1HG GLN 54 HG2 GLN 54 6.515 2.113 2.113 428 2HG GLN 54 HG1 GLN 54 7.247 3.222 3.222 429 1HE2 GLN 54 HE22 GLN 54 4.680 5.768 5.768 430 2HE2 GLN 54 HE21 GLN 54 6.377 5.668 5.668 431 H ARG 55 HN ARG 55 10.523 4.848 4.848 432 HA ARG 55 HA ARG 55 11.945 5.797 5.797 433 1HB ARG 55 HB2 ARG 55 11.908 2.898 2.898 434 2HB ARG 55 HB1 ARG 55 13.052 4.130 4.130 435 1HG ARG 55 HG2 ARG 55 13.909 4.359 4.359 436 2HG ARG 55 HG1 ARG 55 12.652 3.292 3.292 437 1HD ARG 55 HD2 ARG 55 13.555 1.448 1.448 438 2HD ARG 55 HD1 ARG 55 14.904 2.522 2.522 439 HE ARG 55 HE ARG 55 14.637 2.542 2.542 440 1HH1 ARG 55 HH11 ARG 55 17.171 1.871 1.871 441 2HH1 ARG 55 HH12 ARG 55 17.447 0.232 0.232 442 1HH2 ARG 55 HH21 ARG 55 14.221 -0.229 -0.229 443 2HH2 ARG 55 HH22 ARG 55 15.772 -0.960 -0.960 444 H ARG 56 HN ARG 56 8.897 5.393 5.393 445 HA ARG 56 HA ARG 56 8.908 6.438 6.438 446 1HB ARG 56 HB2 ARG 56 7.598 4.644 4.644 447 2HB ARG 56 HB1 ARG 56 8.945 3.891 3.891 448 1HG ARG 56 HG2 ARG 56 7.057 4.096 4.096 449 2HG ARG 56 HG1 ARG 56 6.054 3.800 3.800 450 1HD ARG 56 HD2 ARG 56 8.527 2.165 2.165 451 2HD ARG 56 HD1 ARG 56 7.018 1.777 1.777 452 HE ARG 56 HE ARG 56 6.198 2.095 2.095 453 1HH1 ARG 56 HH11 ARG 56 9.280 1.081 1.081 454 2HH1 ARG 56 HH12 ARG 56 8.999 -0.545 -0.545 455 1HH2 ARG 56 HH21 ARG 56 5.555 -0.376 -0.376 456 2HH2 ARG 56 HH22 ARG 56 6.883 -1.368 -1.368 457 H ARG 57 HN ARG 57 8.200 7.593 7.593 458 HA ARG 57 HA ARG 57 5.522 7.481 7.481 459 1HB ARG 57 HB2 ARG 57 7.374 8.668 8.668 460 2HB ARG 57 HB1 ARG 57 7.385 9.889 9.889 461 1HG ARG 57 HG2 ARG 57 6.078 10.909 10.909 462 2HG ARG 57 HG1 ARG 57 4.829 10.158 10.158 463 1HD ARG 57 HD2 ARG 57 4.830 8.204 8.204 464 2HD ARG 57 HD1 ARG 57 6.015 9.023 9.023 465 HE ARG 57 HE ARG 57 3.362 10.293 10.293 466 1HH1 ARG 57 HH11 ARG 57 5.901 11.292 11.292 467 2HH1 ARG 57 HH12 ARG 57 5.194 11.268 11.268 468 1HH2 ARG 57 HH21 ARG 57 2.405 9.445 9.445 469 2HH2 ARG 57 HH22 ARG 57 3.211 10.220 10.220 470 HA PRO 58 HA PRO 58 4.402 10.786 10.786 471 1HB PRO 58 HB2 PRO 58 6.080 11.072 11.072 472 2HB PRO 58 HB1 PRO 58 6.221 12.032 12.032 473 1HG PRO 58 HG2 PRO 58 7.764 9.637 9.637 474 2HG PRO 58 HG1 PRO 58 8.326 11.096 11.096 475 1HD PRO 58 HD2 PRO 58 7.904 8.727 8.727 476 2HD PRO 58 HD1 PRO 58 7.802 10.242 10.242 477 H SER 59 HN SER 59 5.654 7.625 7.625 478 HA SER 59 HA SER 59 4.447 7.300 7.300 479 1HB SER 59 HB2 SER 59 5.453 5.306 5.306 480 2HB SER 59 HB1 SER 59 5.029 4.938 4.938 481 HG SER 59 HG SER 59 6.939 5.566 5.566 482 H GLN 60 HN GLN 60 2.731 5.688 5.688 483 HA GLN 60 HA GLN 60 0.960 4.456 4.456 484 1HB GLN 60 HB2 GLN 60 0.565 6.537 6.537 485 2HB GLN 60 HB1 GLN 60 0.180 7.425 7.425 486 1HG GLN 60 HG2 GLN 60 -1.683 5.571 5.571 487 2HG GLN 60 HG1 GLN 60 -1.119 5.186 5.186 488 1HE2 GLN 60 HE22 GLN 60 -2.053 9.002 9.002 489 2HE2 GLN 60 HE21 GLN 60 -0.522 8.374 8.374 490 H GLY 61 HN GLY 61 -0.717 6.761 6.761 491 1HA GLY 61 HA2 GLY 61 -1.532 6.684 6.684 492 2HA GLY 61 HA1 GLY 61 -0.589 5.175 5.175 493 H GLY 62 HN GLY 62 -2.949 6.126 6.126 494 1HA GLY 62 HA2 GLY 62 -4.907 5.078 5.078 495 2HA GLY 62 HA1 GLY 62 -5.069 4.432 4.432 496 H GLN 63 HN GLN 63 -2.113 3.931 3.931 497 HA GLN 63 HA GLN 63 -2.426 1.071 1.071 498 1HB GLN 63 HB2 GLN 63 -0.376 0.920 0.920 499 2HB GLN 63 HB1 GLN 63 -0.257 2.424 2.424 500 1HG GLN 63 HG2 GLN 63 -0.255 3.480 3.480 501 2HG GLN 63 HG1 GLN 63 -0.547 1.902 1.902 502 1HE2 GLN 63 HE22 GLN 63 2.807 0.996 0.996 503 2HE2 GLN 63 HE21 GLN 63 1.236 0.889 0.889 504 H THR 64 HN THR 64 -3.685 3.162 3.162 505 HA THR 64 HA THR 64 -4.785 2.787 2.787 506 HB THR 64 HB THR 64 -4.093 -0.059 -0.059 507 HG1 THR 64 HG1 THR 64 -6.413 1.488 1.488 508 1HG2 THR 64 HG22 THR 64 -5.685 1.188 1.188 509 2HG2 THR 64 HG21 THR 64 -6.373 -0.244 -0.244 510 3HG2 THR 64 HG23 THR 64 -4.782 -0.328 -0.328 511 H HIS 65 HN HIS 65 -2.501 3.814 3.814 512 HA HIS 65 HA HIS 65 -0.622 2.112 2.112 513 1HB HIS 65 HB2 HIS 65 -0.977 4.975 4.975 514 2HB HIS 65 HB1 HIS 65 -0.204 4.631 4.631 515 HD1 HIS 65 HD1 HIS 65 0.789 5.405 5.405 516 HD2 HIS 65 HD2 HIS 65 1.816 2.213 2.213 517 HE1 HIS 65 HE1 HIS 65 2.976 4.497 4.497 518 H GLN 66 HN GLN 66 -0.132 3.201 3.201 519 HA GLN 66 HA GLN 66 -2.711 3.354 3.354 520 1HB GLN 66 HB2 GLN 66 -0.358 1.562 1.562 521 2HB GLN 66 HB1 GLN 66 -1.530 1.773 1.773 522 1HG GLN 66 HG2 GLN 66 -2.816 0.246 0.246 523 2HG GLN 66 HG1 GLN 66 -3.055 1.252 1.252 524 1HE2 GLN 66 HE22 GLN 66 -0.239 -0.493 -0.493 525 2HE2 GLN 66 HE21 GLN 66 -0.721 1.101 1.101 526 H ASP 67 HN ASP 67 0.825 3.464 3.464 527 HA ASP 67 HA ASP 67 0.604 5.320 5.320 528 1HB ASP 67 HB2 ASP 67 2.310 3.603 3.603 529 2HB ASP 67 HB1 ASP 67 2.867 4.259 4.259 530 HA PRO 68 HA PRO 68 2.443 8.367 8.367 531 1HB PRO 68 HB2 PRO 68 2.019 7.878 7.878 532 2HB PRO 68 HB1 PRO 68 3.430 7.277 7.277 533 1HG PRO 68 HG2 PRO 68 0.980 5.917 5.917 534 2HG PRO 68 HG1 PRO 68 2.605 5.228 5.228 535 1HD PRO 68 HD2 PRO 68 0.713 4.784 4.784 536 2HD PRO 68 HD1 PRO 68 2.462 4.633 4.633 537 H ILE 69 HN ILE 69 -0.671 6.818 6.818 538 HA ILE 69 HA ILE 69 -1.835 9.579 9.579 539 HB ILE 69 HB ILE 69 -2.775 9.234 9.234 540 1HG1 ILE 69 HG12 ILE 69 -4.240 7.309 7.309 541 2HG1 ILE 69 HG11 ILE 69 -3.110 6.947 6.947 542 1HG2 ILE 69 HG23 ILE 69 -0.253 8.871 8.871 543 2HG2 ILE 69 HG22 ILE 69 -0.598 7.143 7.143 544 3HG2 ILE 69 HG21 ILE 69 -1.170 8.251 8.251 545 1HD1 ILE 69 HD11 ILE 69 -1.572 5.853 5.853 546 2HD1 ILE 69 HD13 ILE 69 -2.863 5.926 5.926 547 3HD1 ILE 69 HD12 ILE 69 -3.093 5.012 5.012 548 HA PRO 70 HA PRO 70 -4.228 6.439 6.439 549 1HB PRO 70 HB2 PRO 70 -3.611 7.599 7.599 550 2HB PRO 70 HB1 PRO 70 -2.702 6.215 6.215 551 1HG PRO 70 HG2 PRO 70 -2.136 9.161 9.161 552 2HG PRO 70 HG1 PRO 70 -1.022 7.811 7.811 553 1HD PRO 70 HD2 PRO 70 -1.122 9.120 9.120 554 2HD PRO 70 HD1 PRO 70 -0.873 7.340 7.340 555 H LYS 71 HN LYS 71 -4.079 9.768 9.768 556 HA LYS 71 HA LYS 71 -6.285 10.587 10.587 557 1HB LYS 71 HB2 LYS 71 -6.011 12.741 12.741 558 2HB LYS 71 HB1 LYS 71 -4.536 12.156 12.156 559 1HG LYS 71 HG2 LYS 71 -4.476 11.006 11.006 560 2HG LYS 71 HG1 LYS 71 -5.099 12.640 12.640 561 1HD LYS 71 HD2 LYS 71 -2.801 12.830 12.830 562 2HD LYS 71 HD1 LYS 71 -3.209 13.509 13.509 563 1HE LYS 71 HE2 LYS 71 -2.430 11.483 11.483 564 2HE LYS 71 HE1 LYS 71 -2.264 10.635 10.635 565 1HZ LYS 71 HZ3 LYS 71 -0.704 12.414 12.414 566 2HZ LYS 71 HZ2 LYS 71 -0.772 13.063 13.063 567 3HZ LYS 71 HZ1 LYS 71 -0.129 11.513 11.513 568 H GLN 72 HN GLN 72 -5.896 9.634 9.634 569 HA GLN 72 HA GLN 72 -8.779 9.173 9.173 570 1HB GLN 72 HB2 GLN 72 -8.532 10.825 10.825 571 2HB GLN 72 HB1 GLN 72 -9.132 11.351 11.351 572 1HG GLN 72 HG2 GLN 72 -7.570 12.941 12.941 573 2HG GLN 72 HG1 GLN 72 -6.639 11.946 11.946 574 1HE2 GLN 72 HE22 GLN 72 -4.507 10.861 10.861 575 2HE2 GLN 72 HE21 GLN 72 -5.017 10.441 10.441 576 HA PRO 73 HA PRO 73 -7.516 6.355 6.355 577 1HB PRO 73 HB2 PRO 73 -9.174 6.894 6.894 578 2HB PRO 73 HB1 PRO 73 -9.703 6.020 6.020 579 1HG PRO 73 HG2 PRO 73 -9.972 8.953 8.953 580 2HG PRO 73 HG1 PRO 73 -11.207 7.826 7.826 581 1HD PRO 73 HD2 PRO 73 -9.962 9.541 9.541 582 2HD PRO 73 HD1 PRO 73 -10.298 7.894 7.894 583 H SER 74 HN SER 74 -8.260 9.450 9.450 584 HA SER 74 HA SER 74 -6.971 10.806 10.806 585 1HB SER 74 HB2 SER 74 -5.034 11.284 11.284 586 2HB SER 74 HB1 SER 74 -5.476 9.963 9.963 587 HG SER 74 HG SER 74 -4.040 8.715 8.715 588 H SER 75 HN SER 75 -6.322 10.709 10.709 589 HA SER 75 HA SER 75 -5.400 9.829 9.829 590 1HB SER 75 HB2 SER 75 -3.996 8.552 8.552 591 2HB SER 75 HB1 SER 75 -4.794 7.178 7.178 592 HG SER 75 HG SER 75 -3.831 7.692 7.692 593 H GLN 76 HN GLN 76 -7.646 7.845 7.845 594 HA GLN 76 HA GLN 76 -8.628 6.668 6.668 595 1HB GLN 76 HB2 GLN 76 -9.776 5.007 5.007 596 2HB GLN 76 HB1 GLN 76 -7.995 5.077 5.077 597 1HG GLN 76 HG2 GLN 76 -8.779 6.834 6.834 598 2HG GLN 76 HG1 GLN 76 -9.816 5.409 5.409 599 1HE2 GLN 76 HE22 GLN 76 -5.707 5.204 5.204 600 2HE2 GLN 76 HE21 GLN 76 -6.401 6.395 6.395 601 HA PRO 77 HA PRO 77 -12.558 8.585 8.585 602 1HB PRO 77 HB2 PRO 77 -12.262 10.858 10.858 603 2HB PRO 77 HB1 PRO 77 -12.297 9.227 9.227 604 1HG PRO 77 HG2 PRO 77 -9.987 11.009 11.009 605 2HG PRO 77 HG1 PRO 77 -10.249 9.913 9.913 606 1HD PRO 77 HD2 PRO 77 -8.669 9.449 9.449 607 2HD PRO 77 HD1 PRO 77 -9.360 8.228 8.228 608 H ARG 78 HN ARG 78 -9.752 10.493 10.493 609 HA ARG 78 HA ARG 78 -11.426 12.058 12.058 610 1HB ARG 78 HB2 ARG 78 -9.919 13.982 13.982 611 2HB ARG 78 HB1 ARG 78 -10.857 13.418 13.418 612 1HG ARG 78 HG2 ARG 78 -8.762 12.017 12.017 613 2HG ARG 78 HG1 ARG 78 -7.938 12.902 12.902 614 1HD ARG 78 HD2 ARG 78 -9.435 14.381 14.381 615 2HD ARG 78 HD1 ARG 78 -7.775 13.805 13.805 616 HE ARG 78 HE ARG 78 -8.018 15.135 15.135 617 1HH1 ARG 78 HH11 ARG 78 -9.318 16.937 16.937 618 2HH1 ARG 78 HH12 ARG 78 -7.973 17.953 17.953 619 1HH2 ARG 78 HH21 ARG 78 -5.624 15.900 15.900 620 2HH2 ARG 78 HH22 ARG 78 -5.878 17.365 17.365 621 H GLY 79 HN GLY 79 -8.268 10.561 10.561 622 1HA GLY 79 HA2 GLY 79 -7.028 11.334 11.334 623 2HA GLY 79 HA1 GLY 79 -6.450 10.196 10.196 624 H ASP 80 HN ASP 80 -6.010 8.339 8.339 625 HA ASP 80 HA ASP 80 -7.709 7.297 7.297 626 1HB ASP 80 HB2 ASP 80 -5.424 6.198 6.198 627 2HB ASP 80 HB1 ASP 80 -6.204 5.286 5.286 628 HA PRO 81 HA PRO 81 -10.649 5.814 5.814 629 1HB PRO 81 HB2 PRO 81 -12.417 4.731 4.731 630 2HB PRO 81 HB1 PRO 81 -12.307 6.464 6.464 631 1HG PRO 81 HG2 PRO 81 -11.071 4.957 4.957 632 2HG PRO 81 HG1 PRO 81 -11.973 6.482 6.482 633 1HD PRO 81 HD2 PRO 81 -9.299 6.444 6.444 634 2HD PRO 81 HD1 PRO 81 -10.184 7.705 7.705 635 H THR 82 HN THR 82 -9.934 4.043 4.043 636 HA THR 82 HA THR 82 -8.744 1.696 1.696 637 HB THR 82 HB THR 82 -9.296 0.798 0.798 638 HG1 THR 82 HG1 THR 82 -10.922 1.993 1.993 639 1HG2 THR 82 HG22 THR 82 -7.658 3.235 3.235 640 2HG2 THR 82 HG21 THR 82 -7.750 2.662 2.662 641 3HG2 THR 82 HG23 THR 82 -7.118 1.606 1.606 642 H GLY 83 HN GLY 83 -12.065 2.523 2.523 643 1HA GLY 83 HA2 GLY 83 -13.423 0.932 0.932 644 2HA GLY 83 HA1 GLY 83 -13.100 -0.164 -0.164 645 HA PRO 84 HA PRO 84 -16.544 1.828 1.828 646 1HB PRO 84 HB2 PRO 84 -16.389 0.487 0.487 647 2HB PRO 84 HB1 PRO 84 -16.902 -0.273 -0.273 648 1HG PRO 84 HG2 PRO 84 -14.444 -0.667 -0.667 649 2HG PRO 84 HG1 PRO 84 -15.089 -1.613 -1.613 650 1HD PRO 84 HD2 PRO 84 -13.108 0.503 0.503 651 2HD PRO 84 HD1 PRO 84 -13.290 -0.691 -0.691 652 H LYS 85 HN LYS 85 -13.363 2.550 2.550 653 HA LYS 85 HA LYS 85 -14.100 4.046 4.046 654 1HB LYS 85 HB2 LYS 85 -11.461 3.820 3.820 655 2HB LYS 85 HB1 LYS 85 -11.700 4.333 4.333 656 1HG LYS 85 HG2 LYS 85 -12.071 1.565 1.565 657 2HG LYS 85 HG1 LYS 85 -10.976 2.068 2.068 658 1HD LYS 85 HD2 LYS 85 -14.020 2.075 2.075 659 2HD LYS 85 HD1 LYS 85 -12.955 0.865 0.865 660 1HE LYS 85 HE2 LYS 85 -11.887 2.560 2.560 661 2HE LYS 85 HE1 LYS 85 -12.922 3.816 3.816 662 1HZ LYS 85 HZ3 LYS 85 -13.891 1.344 1.344 663 2HZ LYS 85 HZ2 LYS 85 -13.886 2.896 2.896 664 3HZ LYS 85 HZ1 LYS 85 -14.866 2.568 2.568 665 H GLU 86 HN GLU 86 -15.022 4.845 4.845 666 HA GLU 86 HA GLU 86 -13.607 7.324 7.324 667 1HB GLU 86 HB2 GLU 86 -16.115 5.915 5.915 668 2HB GLU 86 HB1 GLU 86 -15.696 7.530 7.530 669 1HG GLU 86 HG2 GLU 86 -13.412 6.511 6.511 670 2HG GLU 86 HG1 GLU 86 -14.162 4.939 4.939 Start of MODEL 5 1 1H LEU 1 HT3 LEU 1 12.990 -12.584 -12.584 2 2H LEU 1 HT2 LEU 1 11.437 -13.190 -13.190 3 3H LEU 1 HT1 LEU 1 12.466 -12.738 -12.738 4 HA LEU 1 HA LEU 1 10.853 -11.006 -11.006 5 1HB LEU 1 HB2 LEU 1 10.477 -10.021 -10.021 6 2HB LEU 1 HB1 LEU 1 10.286 -11.778 -11.778 7 HG LEU 1 HG LEU 1 13.040 -11.172 -11.172 8 1HD1 LEU 1 HD12 LEU 1 11.178 -9.177 -9.177 9 2HD1 LEU 1 HD11 LEU 1 12.334 -9.874 -9.874 10 3HD1 LEU 1 HD13 LEU 1 12.909 -9.061 -9.061 11 1HD2 LEU 1 HD23 LEU 1 10.751 -12.167 -12.167 12 2HD2 LEU 1 HD22 LEU 1 12.039 -13.103 -13.103 13 3HD2 LEU 1 HD21 LEU 1 12.400 -12.057 -12.057 14 H ASP 2 HN ASP 2 11.393 -8.619 -8.619 15 HA ASP 2 HA ASP 2 12.835 -6.842 -6.842 16 1HB ASP 2 HB2 ASP 2 13.329 -7.696 -7.696 17 2HB ASP 2 HB1 ASP 2 14.833 -8.271 -8.271 18 HA PRO 3 HA PRO 3 15.546 -9.352 -9.352 19 1HB PRO 3 HB2 PRO 3 14.010 -9.367 -9.367 20 2HB PRO 3 HB1 PRO 3 13.888 -10.599 -10.599 21 1HG PRO 3 HG2 PRO 3 12.011 -8.439 -8.439 22 2HG PRO 3 HG1 PRO 3 11.755 -9.946 -9.946 23 1HD PRO 3 HD2 PRO 3 12.201 -7.313 -7.313 24 2HD PRO 3 HD1 PRO 3 11.780 -8.798 -8.798 25 H VAL 4 HN VAL 4 13.623 -7.325 -7.325 26 HA VAL 4 HA VAL 4 15.889 -5.613 -5.613 27 HB VAL 4 HB VAL 4 12.897 -5.690 -5.690 28 1HG1 VAL 4 HG13 VAL 4 13.890 -3.287 -3.287 29 2HG1 VAL 4 HG12 VAL 4 14.714 -3.855 -3.855 30 3HG1 VAL 4 HG11 VAL 4 12.954 -3.875 -3.875 31 1HG2 VAL 4 HG23 VAL 4 15.351 -6.511 -6.511 32 2HG2 VAL 4 HG22 VAL 4 13.806 -7.338 -7.338 33 3HG2 VAL 4 HG21 VAL 4 13.946 -5.972 -5.972 34 H ASP 5 HN ASP 5 12.758 -5.146 -5.146 35 HA ASP 5 HA ASP 5 13.821 -3.432 -3.432 36 1HB ASP 5 HB2 ASP 5 12.589 -2.352 -2.352 37 2HB ASP 5 HB1 ASP 5 11.778 -1.830 -1.830 38 HA PRO 6 HA PRO 6 9.475 -4.907 -4.907 39 1HB PRO 6 HB2 PRO 6 7.483 -4.685 -4.685 40 2HB PRO 6 HB1 PRO 6 8.057 -3.286 -3.286 41 1HG PRO 6 HG2 PRO 6 8.424 -3.783 -3.783 42 2HG PRO 6 HG1 PRO 6 8.669 -2.315 -2.315 43 1HD PRO 6 HD2 PRO 6 10.518 -4.349 -4.349 44 2HD PRO 6 HD1 PRO 6 10.753 -2.646 -2.646 45 H ASN 7 HN ASN 7 7.664 -6.742 -6.742 46 HA ASN 7 HA ASN 7 9.338 -8.927 -8.927 47 1HB ASN 7 HB2 ASN 7 6.368 -8.567 -8.567 48 2HB ASN 7 HB1 ASN 7 7.086 -10.110 -10.110 49 1HD2 ASN 7 HD22 ASN 7 7.354 -9.002 -9.002 50 2HD2 ASN 7 HD21 ASN 7 6.402 -8.152 -8.152 51 H ILE 8 HN ILE 8 6.574 -7.142 -7.142 52 HA ILE 8 HA ILE 8 7.690 -7.731 -7.731 53 HB ILE 8 HB ILE 8 5.576 -8.505 -8.505 54 1HG1 ILE 8 HG12 ILE 8 4.145 -6.812 -6.812 55 2HG1 ILE 8 HG11 ILE 8 3.509 -8.440 -8.440 56 1HG2 ILE 8 HG23 ILE 8 6.090 -9.656 -9.656 57 2HG2 ILE 8 HG22 ILE 8 5.016 -10.384 -10.384 58 3HG2 ILE 8 HG21 ILE 8 6.739 -10.235 -10.235 59 1HD1 ILE 8 HD12 ILE 8 4.847 -8.571 -8.571 60 2HD1 ILE 8 HD11 ILE 8 4.737 -6.812 -6.812 61 3HD1 ILE 8 HD13 ILE 8 3.269 -7.789 -7.789 62 H GLU 9 HN GLU 9 7.270 -5.294 -5.294 63 HA GLU 9 HA GLU 9 6.663 -3.016 -3.016 64 1HB GLU 9 HB2 GLU 9 8.366 -3.407 -3.407 65 2HB GLU 9 HB1 GLU 9 7.042 -3.622 -3.622 66 1HG GLU 9 HG2 GLU 9 6.388 -1.376 -1.376 67 2HG GLU 9 HG1 GLU 9 7.088 -1.139 -1.139 68 HA PRO 10 HA PRO 10 2.396 -4.062 -4.062 69 1HB PRO 10 HB2 PRO 10 1.174 -4.433 -4.433 70 2HB PRO 10 HB1 PRO 10 2.049 -5.649 -5.649 71 1HG PRO 10 HG2 PRO 10 2.799 -4.003 -4.003 72 2HG PRO 10 HG1 PRO 10 3.234 -5.771 -5.771 73 1HD PRO 10 HD2 PRO 10 4.755 -3.419 -3.419 74 2HD PRO 10 HD1 PRO 10 5.205 -5.033 -5.033 75 H TRP 11 HN TRP 11 3.415 -1.475 -1.475 76 HA TRP 11 HA TRP 11 1.452 0.029 0.029 77 1HB TRP 11 HB2 TRP 11 3.997 0.838 0.838 78 2HB TRP 11 HB1 TRP 11 3.156 1.878 1.878 79 HD1 TRP 11 HD1 TRP 11 5.353 -1.186 -1.186 80 HE1 TRP 11 HE1 TRP 11 6.188 -1.641 -1.641 81 HE3 TRP 11 HE3 TRP 11 2.544 2.210 2.210 82 HZ2 TRP 11 HZ2 TRP 11 5.718 -0.685 -0.685 83 HZ3 TRP 11 HZ3 TRP 11 2.763 2.408 2.408 84 HH2 TRP 11 HH2 TRP 11 4.340 0.971 0.971 85 H ASN 12 HN ASN 12 0.724 -1.358 -1.358 86 HA ASN 12 HA ASN 12 -0.334 0.909 0.909 87 1HB ASN 12 HB2 ASN 12 0.406 -0.549 -0.549 88 2HB ASN 12 HB1 ASN 12 1.584 0.509 0.509 89 1HD2 ASN 12 HD22 ASN 12 3.320 -2.302 -2.302 90 2HD2 ASN 12 HD21 ASN 12 2.910 -0.690 -0.690 91 H HIS 13 HN HIS 13 -2.218 0.016 0.016 92 HA HIS 13 HA HIS 13 -3.232 -2.604 -2.604 93 1HB HIS 13 HB2 HIS 13 -3.571 -0.867 -0.867 94 2HB HIS 13 HB1 HIS 13 -4.792 -2.110 -2.110 95 HD1 HIS 13 HD1 HIS 13 -3.842 -3.212 -3.212 96 HD2 HIS 13 HD2 HIS 13 -1.265 -3.340 -3.340 97 HE1 HIS 13 HE1 HIS 13 -2.108 -4.968 -4.968 98 HA PRO 14 HA PRO 14 -6.396 -0.332 -0.332 99 1HB PRO 14 HB2 PRO 14 -7.966 -2.550 -2.550 100 2HB PRO 14 HB1 PRO 14 -6.506 -2.138 -2.138 101 1HG PRO 14 HG2 PRO 14 -6.983 -4.064 -4.064 102 2HG PRO 14 HG1 PRO 14 -6.013 -4.277 -4.277 103 1HD PRO 14 HD2 PRO 14 -4.920 -3.698 -3.698 104 2HD PRO 14 HD1 PRO 14 -4.166 -3.195 -3.195 105 H GLY 15 HN GLY 15 -6.738 -2.273 -2.273 106 1HA GLY 15 HA2 GLY 15 -8.190 -2.181 -2.181 107 2HA GLY 15 HA1 GLY 15 -8.985 -0.736 -0.736 108 H SER 16 HN SER 16 -8.474 -3.741 -3.741 109 HA SER 16 HA SER 16 -11.224 -4.734 -4.734 110 1HB SER 16 HB2 SER 16 -11.214 -2.967 -2.967 111 2HB SER 16 HB1 SER 16 -10.083 -3.999 -3.999 112 HG SER 16 HG SER 16 -12.072 -4.628 -4.628 113 H GLN 17 HN GLN 17 -8.104 -5.550 -5.550 114 HA GLN 17 HA GLN 17 -8.638 -8.315 -8.315 115 1HB GLN 17 HB2 GLN 17 -6.992 -6.302 -6.302 116 2HB GLN 17 HB1 GLN 17 -6.200 -7.872 -7.872 117 1HG GLN 17 HG2 GLN 17 -7.584 -8.971 -8.971 118 2HG GLN 17 HG1 GLN 17 -8.995 -8.012 -8.012 119 1HE2 GLN 17 HE22 GLN 17 -8.192 -5.422 -5.422 120 2HE2 GLN 17 HE21 GLN 17 -8.882 -5.630 -5.630 121 HA PRO 18 HA PRO 18 -4.571 -8.436 -8.436 122 1HB PRO 18 HB2 PRO 18 -3.234 -6.093 -6.093 123 2HB PRO 18 HB1 PRO 18 -2.949 -7.076 -7.076 124 1HG PRO 18 HG2 PRO 18 -4.596 -4.614 -4.614 125 2HG PRO 18 HG1 PRO 18 -3.544 -5.059 -5.059 126 1HD PRO 18 HD2 PRO 18 -6.241 -5.210 -5.210 127 2HD PRO 18 HD1 PRO 18 -5.198 -6.246 -6.246 128 H LYS 19 HN LYS 19 -6.021 -5.216 -5.216 129 HA LYS 19 HA LYS 19 -5.797 -5.210 -5.210 130 1HB LYS 19 HB2 LYS 19 -7.741 -4.169 -4.169 131 2HB LYS 19 HB1 LYS 19 -8.040 -3.844 -3.844 132 1HG LYS 19 HG2 LYS 19 -5.611 -2.950 -2.950 133 2HG LYS 19 HG1 LYS 19 -5.731 -3.049 -3.049 134 1HD LYS 19 HD2 LYS 19 -6.694 -1.062 -1.062 135 2HD LYS 19 HD1 LYS 19 -8.071 -1.721 -1.721 136 1HE LYS 19 HE2 LYS 19 -6.882 -1.230 -1.230 137 2HE LYS 19 HE1 LYS 19 -5.577 -0.469 -0.469 138 1HZ LYS 19 HZ2 LYS 19 -8.465 0.264 0.264 139 2HZ LYS 19 HZ1 LYS 19 -7.271 1.155 1.155 140 3HZ LYS 19 HZ3 LYS 19 -7.206 1.004 1.004 141 H THR 20 HN THR 20 -8.388 -6.522 -6.522 142 HA THR 20 HA THR 20 -8.946 -8.729 -8.729 143 HB THR 20 HB THR 20 -9.919 -7.243 -7.243 144 HG1 THR 20 HG1 THR 20 -12.262 -7.397 -7.397 145 1HG2 THR 20 HG21 THR 20 -10.884 -5.721 -5.721 146 2HG2 THR 20 HG23 THR 20 -11.510 -5.403 -5.403 147 3HG2 THR 20 HG22 THR 20 -9.798 -5.160 -5.160 148 H ALA 21 HN ALA 21 -10.163 -6.581 -6.581 149 HA ALA 21 HA ALA 21 -11.436 -7.113 -7.113 150 1HB ALA 21 HB2 ALA 21 -9.468 -9.000 -9.000 151 2HB ALA 21 HB1 ALA 21 -10.909 -10.014 -10.014 152 3HB ALA 21 HB3 ALA 21 -10.560 -8.949 -8.949 153 H CYS 22 HN CYS 22 -12.573 -7.290 -7.290 154 HA CYS 22 HA CYS 22 -14.726 -7.689 -7.689 155 1HB CYS 22 HB2 CYS 22 -15.156 -9.332 -9.332 156 2HB CYS 22 HB1 CYS 22 -16.422 -8.572 -8.572 157 HG CYS 22 HG CYS 22 -16.315 -6.662 -6.662 158 H ASN 23 HN ASN 23 -12.439 -10.093 -10.093 159 HA ASN 23 HA ASN 23 -13.899 -12.404 -12.404 160 1HB ASN 23 HB2 ASN 23 -12.160 -13.443 -13.443 161 2HB ASN 23 HB1 ASN 23 -11.591 -11.810 -11.810 162 1HD2 ASN 23 HD22 ASN 23 -9.047 -11.587 -11.587 163 2HD2 ASN 23 HD21 ASN 23 -10.173 -10.662 -10.662 164 H ARG 24 HN ARG 24 -12.077 -9.832 -9.832 165 HA ARG 24 HA ARG 24 -12.237 -11.277 -11.277 166 1HB ARG 24 HB2 ARG 24 -9.918 -10.091 -10.091 167 2HB ARG 24 HB1 ARG 24 -9.926 -9.959 -9.959 168 1HG ARG 24 HG2 ARG 24 -10.007 -12.307 -12.307 169 2HG ARG 24 HG1 ARG 24 -10.381 -12.578 -12.578 170 1HD ARG 24 HD2 ARG 24 -8.116 -12.964 -12.964 171 2HD ARG 24 HD1 ARG 24 -8.227 -11.181 -11.181 172 HE ARG 24 HE ARG 24 -7.417 -10.827 -10.827 173 1HH1 ARG 24 HH21 ARG 24 -8.885 -12.384 -12.384 174 2HH1 ARG 24 HH22 ARG 24 -7.861 -13.713 -13.713 175 1HH2 ARG 24 HH11 ARG 24 -5.743 -13.305 -13.305 176 2HH2 ARG 24 HH12 ARG 24 -6.077 -14.237 -14.237 177 H CYS 25 HN CYS 25 -10.635 -8.186 -8.186 178 HA CYS 25 HA CYS 25 -11.264 -5.967 -5.967 179 1HB CYS 25 HB2 CYS 25 -13.391 -7.127 -7.127 180 2HB CYS 25 HB1 CYS 25 -13.941 -6.928 -6.928 181 HG CYS 25 HG CYS 25 -14.474 -4.639 -4.639 182 H HIS 26 HN HIS 26 -10.036 -7.458 -7.458 183 HA HIS 26 HA HIS 26 -10.998 -6.107 -6.107 184 1HB HIS 26 HB2 HIS 26 -11.169 -8.540 -8.540 185 2HB HIS 26 HB1 HIS 26 -12.548 -7.716 -7.716 186 HD1 HIS 26 HD1 HIS 26 -13.623 -10.097 -10.097 187 HD2 HIS 26 HD2 HIS 26 -10.167 -9.386 -9.386 188 HE1 HIS 26 HE1 HIS 26 -13.516 -11.894 -11.894 189 H CYS 27 HN CYS 27 -9.100 -9.106 -9.106 190 HA CYS 27 HA CYS 27 -7.084 -8.558 -8.558 191 1HB CYS 27 HB2 CYS 27 -7.405 -10.327 -10.327 192 2HB CYS 27 HB1 CYS 27 -5.839 -10.250 -10.250 193 HG CYS 27 HG CYS 27 -7.720 -12.067 -12.067 194 H LYS 28 HN LYS 28 -7.502 -7.407 -7.407 195 HA LYS 28 HA LYS 28 -4.794 -6.703 -6.703 196 1HB LYS 28 HB2 LYS 28 -6.406 -6.816 -6.816 197 2HB LYS 28 HB1 LYS 28 -7.506 -5.825 -5.825 198 1HG LYS 28 HG2 LYS 28 -5.441 -4.029 -4.029 199 2HG LYS 28 HG1 LYS 28 -5.159 -5.087 -5.087 200 1HD LYS 28 HD2 LYS 28 -6.556 -3.251 -3.251 201 2HD LYS 28 HD1 LYS 28 -7.530 -4.719 -4.719 202 1HE LYS 28 HE2 LYS 28 -8.185 -4.028 -4.028 203 2HE LYS 28 HE1 LYS 28 -7.623 -2.415 -2.415 204 1HZ LYS 28 HZ2 LYS 28 -9.556 -4.105 -4.105 205 2HZ LYS 28 HZ1 LYS 28 -9.982 -2.776 -2.776 206 3HZ LYS 28 HZ3 LYS 28 -9.049 -2.540 -2.540 207 H LYS 29 HN LYS 29 -7.369 -4.926 -4.926 208 HA LYS 29 HA LYS 29 -5.329 -2.952 -2.952 209 1HB LYS 29 HB2 LYS 29 -6.614 -1.155 -1.155 210 2HB LYS 29 HB1 LYS 29 -6.934 -2.347 -2.347 211 1HG LYS 29 HG2 LYS 29 -8.729 -1.633 -1.633 212 2HG LYS 29 HG1 LYS 29 -8.986 -1.300 -1.300 213 1HD LYS 29 HD2 LYS 29 -9.017 -3.747 -3.747 214 2HD LYS 29 HD1 LYS 29 -8.948 -4.053 -4.053 215 1HE LYS 29 HE2 LYS 29 -11.085 -2.251 -2.251 216 2HE LYS 29 HE1 LYS 29 -11.298 -4.007 -4.007 217 1HZ LYS 29 HZ3 LYS 29 -10.648 -3.907 -3.907 218 2HZ LYS 29 HZ2 LYS 29 -10.687 -2.210 -2.210 219 3HZ LYS 29 HZ1 LYS 29 -12.107 -3.110 -3.110 220 H CYS 30 HN CYS 30 -6.702 -5.317 -5.317 221 HA CYS 30 HA CYS 30 -8.804 -4.833 -4.833 222 1HB CYS 30 HB2 CYS 30 -7.645 -6.607 -6.607 223 2HB CYS 30 HB1 CYS 30 -7.754 -6.895 -6.895 224 HG CYS 30 HG CYS 30 -5.208 -7.136 -7.136 225 H CYS 31 HN CYS 31 -5.395 -4.383 -4.383 226 HA CYS 31 HA CYS 31 -5.959 -1.830 -1.830 227 1HB CYS 31 HB2 CYS 31 -7.337 -3.555 -3.555 228 2HB CYS 31 HB1 CYS 31 -5.780 -4.192 -4.192 229 HG CYS 31 HG CYS 31 -5.487 -2.297 -2.297 230 H TYR 32 HN TYR 32 -3.790 -2.180 -2.180 231 HA TYR 32 HA TYR 32 -1.588 -2.185 -2.185 232 1HB TYR 32 HB2 TYR 32 -0.373 -4.046 -4.046 233 2HB TYR 32 HB1 TYR 32 -1.985 -4.583 -4.583 234 HD1 TYR 32 HD1 TYR 32 -3.702 -3.784 -3.784 235 HD2 TYR 32 HD2 TYR 32 0.466 -4.829 -4.829 236 HE1 TYR 32 HE1 TYR 32 -3.920 -4.409 -4.409 237 HE2 TYR 32 HE2 TYR 32 0.243 -5.447 -5.447 238 HH TYR 32 HH TYR 32 -2.288 -6.222 -6.222 239 H HIS 33 HN HIS 33 -2.716 -0.112 -0.112 240 HA HIS 33 HA HIS 33 -2.131 1.690 1.690 241 1HB HIS 33 HB2 HIS 33 0.569 0.337 0.337 242 2HB HIS 33 HB1 HIS 33 0.319 1.957 1.957 243 HD1 HIS 33 HD1 HIS 33 0.185 3.871 3.871 244 HD2 HIS 33 HD2 HIS 33 -0.421 0.239 0.239 245 HE1 HIS 33 HE1 HIS 33 0.034 4.403 4.403 246 H CYS 34 HN CYS 34 -2.436 -1.323 -1.323 247 HA CYS 34 HA CYS 34 -2.455 -2.337 -2.337 248 1HB CYS 34 HB2 CYS 34 -2.587 0.475 0.475 249 2HB CYS 34 HB1 CYS 34 -3.365 -0.974 -0.974 250 HG CYS 34 HG CYS 34 -5.142 0.443 0.443 251 H GLN 35 HN GLN 35 -0.090 -2.917 -2.917 252 HA GLN 35 HA GLN 35 1.840 -1.194 -1.194 253 1HB GLN 35 HB2 GLN 35 2.136 -3.901 -3.901 254 2HB GLN 35 HB1 GLN 35 3.463 -2.839 -2.839 255 1HG GLN 35 HG2 GLN 35 1.379 -2.244 -2.244 256 2HG GLN 35 HG1 GLN 35 3.115 -2.536 -2.536 257 1HE2 GLN 35 HE22 GLN 35 1.917 1.173 1.173 258 2HE2 GLN 35 HE21 GLN 35 0.822 -0.088 -0.088 259 H VAL 36 HN VAL 36 -0.061 -4.096 -4.096 260 HA VAL 36 HA VAL 36 -0.370 -5.417 -5.417 261 HB VAL 36 HB VAL 36 1.149 -3.253 -3.253 262 1HG1 VAL 36 HG12 VAL 36 0.263 -5.385 -5.385 263 2HG1 VAL 36 HG11 VAL 36 -1.327 -4.650 -4.650 264 3HG1 VAL 36 HG13 VAL 36 -0.087 -3.829 -3.829 265 1HG2 VAL 36 HG21 VAL 36 -1.385 -2.920 -2.920 266 2HG2 VAL 36 HG23 VAL 36 -0.286 -1.710 -1.710 267 3HG2 VAL 36 HG22 VAL 36 -1.460 -2.500 -2.500 268 H CYS 37 HN CYS 37 1.633 -6.460 -6.460 269 HA CYS 37 HA CYS 37 3.709 -7.616 -7.616 270 1HB CYS 37 HB2 CYS 37 1.904 -8.533 -8.533 271 2HB CYS 37 HB1 CYS 37 3.158 -8.121 -8.121 272 HG CYS 37 HG CYS 37 3.255 -10.620 -10.620 273 H PHE 38 HN PHE 38 4.622 -5.206 -5.206 274 HA PHE 38 HA PHE 38 5.986 -4.478 -4.478 275 1HB PHE 38 HB2 PHE 38 6.514 -2.393 -2.393 276 2HB PHE 38 HB1 PHE 38 4.797 -2.873 -2.873 277 HD1 PHE 38 HD1 PHE 38 6.122 -5.163 -5.163 278 HD2 PHE 38 HD2 PHE 38 5.932 -0.884 -0.884 279 HE1 PHE 38 HE1 PHE 38 6.400 -4.957 -4.957 280 HE2 PHE 38 HE2 PHE 38 6.218 -0.686 -0.686 281 HZ PHE 38 HZ PHE 38 6.452 -2.722 -2.722 282 H ILE 39 HN ILE 39 8.184 -3.282 -3.282 283 HA ILE 39 HA ILE 39 10.248 -5.095 -5.095 284 HB ILE 39 HB ILE 39 11.561 -3.759 -3.759 285 1HG1 ILE 39 HG12 ILE 39 9.185 -1.954 -1.954 286 2HG1 ILE 39 HG11 ILE 39 9.253 -3.301 -3.301 287 1HG2 ILE 39 HG21 ILE 39 10.179 -2.849 -2.849 288 2HG2 ILE 39 HG23 ILE 39 10.603 -1.520 -1.520 289 3HG2 ILE 39 HG22 ILE 39 11.856 -2.611 -2.611 290 1HD1 ILE 39 HD13 ILE 39 11.506 -1.328 -1.328 291 2HD1 ILE 39 HD12 ILE 39 10.312 -1.236 -1.236 292 3HD1 ILE 39 HD11 ILE 39 11.426 -2.602 -2.602 293 H THR 40 HN THR 40 8.460 -4.906 -4.906 294 HA THR 40 HA THR 40 9.999 -7.301 -7.301 295 HB THR 40 HB THR 40 8.341 -5.206 -5.206 296 HG1 THR 40 HG1 THR 40 10.622 -4.904 -4.904 297 1HG2 THR 40 HG21 THR 40 9.055 -7.826 -7.826 298 2HG2 THR 40 HG23 THR 40 10.117 -6.709 -6.709 299 3HG2 THR 40 HG22 THR 40 8.367 -6.531 -6.531 300 H LYS 41 HN LYS 41 8.909 -9.198 -9.198 301 HA LYS 41 HA LYS 41 6.301 -9.664 -9.664 302 1HB LYS 41 HB2 LYS 41 6.627 -11.903 -11.903 303 2HB LYS 41 HB1 LYS 41 8.175 -11.309 -11.309 304 1HG LYS 41 HG2 LYS 41 9.146 -11.615 -11.615 305 2HG LYS 41 HG1 LYS 41 8.029 -10.547 -10.547 306 1HD LYS 41 HD2 LYS 41 7.551 -13.487 -13.487 307 2HD LYS 41 HD1 LYS 41 8.019 -12.839 -12.839 308 1HE LYS 41 HE2 LYS 41 5.548 -11.710 -11.710 309 2HE LYS 41 HE1 LYS 41 5.447 -13.280 -13.280 310 1HZ LYS 41 HZ2 LYS 41 6.674 -10.824 -10.824 311 2HZ LYS 41 HZ1 LYS 41 5.057 -11.271 -11.271 312 3HZ LYS 41 HZ3 LYS 41 6.310 -12.268 -12.268 313 H GLY 42 HN GLY 42 7.324 -8.578 -8.578 314 1HA GLY 42 HA2 GLY 42 5.021 -9.436 -9.436 315 2HA GLY 42 HA1 GLY 42 6.131 -8.148 -8.148 316 H LEU 43 HN LEU 43 5.067 -7.362 -7.362 317 HA LEU 43 HA LEU 43 3.454 -5.899 -5.899 318 1HB LEU 43 HB2 LEU 43 1.781 -6.840 -6.840 319 2HB LEU 43 HB1 LEU 43 1.281 -6.126 -6.126 320 HG LEU 43 HG LEU 43 2.679 -8.780 -8.780 321 1HD1 LEU 43 HD13 LEU 43 0.003 -7.842 -7.842 322 2HD1 LEU 43 HD12 LEU 43 0.016 -8.935 -8.935 323 3HD1 LEU 43 HD11 LEU 43 0.660 -9.472 -9.472 324 1HD2 LEU 43 HD23 LEU 43 3.134 -7.470 -7.470 325 2HD2 LEU 43 HD22 LEU 43 2.171 -8.915 -8.915 326 3HD2 LEU 43 HD21 LEU 43 1.394 -7.333 -7.333 327 H GLY 44 HN GLY 44 5.449 -4.826 -4.826 328 1HA GLY 44 HA2 GLY 44 5.868 -2.777 -2.777 329 2HA GLY 44 HA1 GLY 44 4.394 -2.246 -2.246 330 H ILE 45 HN ILE 45 3.991 -5.048 -5.048 331 HA ILE 45 HA ILE 45 2.053 -3.903 -3.903 332 HB ILE 45 HB ILE 45 2.669 -5.903 -5.903 333 1HG1 ILE 45 HG12 ILE 45 4.100 -7.467 -7.467 334 2HG1 ILE 45 HG11 ILE 45 4.949 -5.915 -5.915 335 1HG2 ILE 45 HG22 ILE 45 1.852 -5.997 -5.997 336 2HG2 ILE 45 HG21 ILE 45 2.050 -7.509 -7.509 337 3HG2 ILE 45 HG23 ILE 45 0.892 -6.303 -6.303 338 1HD1 ILE 45 HD13 ILE 45 4.386 -6.383 -6.383 339 2HD1 ILE 45 HD12 ILE 45 4.895 -7.939 -7.939 340 3HD1 ILE 45 HD11 ILE 45 5.956 -6.536 -6.536 341 H SER 46 HN SER 46 5.540 -4.431 -4.431 342 HA SER 46 HA SER 46 5.630 -1.976 -1.976 343 1HB SER 46 HB2 SER 46 5.679 -2.962 -2.962 344 2HB SER 46 HB1 SER 46 4.189 -3.459 -3.459 345 HG SER 46 HG SER 46 5.958 -5.021 -5.021 346 H TYR 47 HN TYR 47 7.360 -3.929 -3.929 347 HA TYR 47 HA TYR 47 9.716 -4.423 -4.423 348 1HB TYR 47 HB2 TYR 47 10.654 -5.286 -5.286 349 2HB TYR 47 HB1 TYR 47 8.923 -5.689 -5.689 350 HD1 TYR 47 HD1 TYR 47 11.340 -3.196 -3.196 351 HD2 TYR 47 HD2 TYR 47 7.451 -4.991 -4.991 352 HE1 TYR 47 HE1 TYR 47 10.940 -2.009 -2.009 353 HE2 TYR 47 HE2 TYR 47 7.049 -3.819 -3.819 354 HH TYR 47 HH TYR 47 8.972 -2.770 -2.770 355 H GLY 48 HN GLY 48 8.497 -1.728 -1.728 356 1HA GLY 48 HA2 GLY 48 9.522 0.474 0.474 357 2HA GLY 48 HA1 GLY 48 11.102 -0.273 -0.273 358 H ARG 49 HN ARG 49 8.099 0.444 0.444 359 HA ARG 49 HA ARG 49 9.341 0.040 0.040 360 1HB ARG 49 HB2 ARG 49 7.212 0.573 0.573 361 2HB ARG 49 HB1 ARG 49 6.921 -0.223 -0.223 362 1HG ARG 49 HG2 ARG 49 6.495 1.891 1.891 363 2HG ARG 49 HG1 ARG 49 7.046 2.805 2.805 364 1HD ARG 49 HD2 ARG 49 4.593 2.776 2.776 365 2HD ARG 49 HD1 ARG 49 5.343 1.833 1.833 366 HE ARG 49 HE ARG 49 4.999 -0.237 -0.237 367 1HH1 ARG 49 HH11 ARG 49 4.102 2.124 2.124 368 2HH1 ARG 49 HH12 ARG 49 2.548 1.462 1.462 369 1HH2 ARG 49 HH21 ARG 49 2.631 -0.911 -0.911 370 2HH2 ARG 49 HH22 ARG 49 1.720 -0.261 -0.261 371 H LYS 50 HN LYS 50 9.757 1.714 1.714 372 HA LYS 50 HA LYS 50 10.369 4.371 4.371 373 1HB LYS 50 HB2 LYS 50 12.132 4.470 4.470 374 2HB LYS 50 HB1 LYS 50 12.319 3.085 3.085 375 1HG LYS 50 HG2 LYS 50 10.615 2.523 2.523 376 2HG LYS 50 HG1 LYS 50 12.260 3.011 3.011 377 1HD LYS 50 HD2 LYS 50 11.391 0.744 0.744 378 2HD LYS 50 HD1 LYS 50 12.050 0.595 0.595 379 1HE LYS 50 HE2 LYS 50 14.087 1.937 1.937 380 2HE LYS 50 HE1 LYS 50 13.383 1.382 1.382 381 1HZ LYS 50 HZ3 LYS 50 13.373 -0.870 -0.870 382 2HZ LYS 50 HZ2 LYS 50 13.998 -0.377 -0.377 383 3HZ LYS 50 HZ1 LYS 50 14.954 -0.264 -0.264 384 H LYS 51 HN LYS 51 8.563 2.708 2.708 385 HA LYS 51 HA LYS 51 7.058 3.464 3.464 386 1HB LYS 51 HB2 LYS 51 7.272 5.943 5.943 387 2HB LYS 51 HB1 LYS 51 6.136 5.735 5.735 388 1HG LYS 51 HG2 LYS 51 6.337 3.546 3.546 389 2HG LYS 51 HG1 LYS 51 5.482 5.025 5.025 390 1HD LYS 51 HD2 LYS 51 3.704 3.973 3.973 391 2HD LYS 51 HD1 LYS 51 4.416 4.531 4.531 392 1HE LYS 51 HE2 LYS 51 5.662 2.365 2.365 393 2HE LYS 51 HE1 LYS 51 4.841 1.814 1.814 394 1HZ LYS 51 HZ1 LYS 51 2.702 2.421 2.421 395 2HZ LYS 51 HZ3 LYS 51 3.582 2.679 2.679 396 3HZ LYS 51 HZ2 LYS 51 3.526 1.128 1.128 397 H ARG 52 HN ARG 52 10.171 4.263 4.263 398 HA ARG 52 HA ARG 52 9.834 6.371 6.371 399 1HB ARG 52 HB2 ARG 52 12.348 5.470 5.470 400 2HB ARG 52 HB1 ARG 52 12.160 6.915 6.915 401 1HG ARG 52 HG2 ARG 52 11.169 6.270 6.270 402 2HG ARG 52 HG1 ARG 52 12.030 7.721 7.721 403 1HD ARG 52 HD2 ARG 52 9.064 7.094 7.094 404 2HD ARG 52 HD1 ARG 52 9.805 8.496 8.496 405 HE ARG 52 HE ARG 52 9.260 8.286 8.286 406 1HH1 ARG 52 HH11 ARG 52 10.768 10.341 10.341 407 2HH1 ARG 52 HH12 ARG 52 12.023 10.850 10.850 408 1HH2 ARG 52 HH21 ARG 52 11.359 8.390 8.390 409 2HH2 ARG 52 HH22 ARG 52 12.358 9.744 9.744 410 H ARG 53 HN ARG 53 10.574 3.028 3.028 411 HA ARG 53 HA ARG 53 12.435 2.488 2.488 412 1HB ARG 53 HB2 ARG 53 11.613 0.241 0.241 413 2HB ARG 53 HB1 ARG 53 11.458 0.938 0.938 414 1HG ARG 53 HG2 ARG 53 9.314 0.360 0.360 415 2HG ARG 53 HG1 ARG 53 8.982 1.563 1.563 416 1HD ARG 53 HD2 ARG 53 10.155 -1.010 -1.010 417 2HD ARG 53 HD1 ARG 53 8.552 -1.128 -1.128 418 HE ARG 53 HE ARG 53 7.862 0.797 0.797 419 1HH1 ARG 53 HH11 ARG 53 11.008 -0.203 -0.203 420 2HH1 ARG 53 HH12 ARG 53 10.732 -0.360 -0.360 421 1HH2 ARG 53 HH21 ARG 53 7.323 0.212 0.212 422 2HH2 ARG 53 HH22 ARG 53 8.651 -0.122 -0.122 423 H GLN 54 HN GLN 54 9.046 3.392 3.392 424 HA GLN 54 HA GLN 54 8.385 2.386 2.386 425 1HB GLN 54 HB2 GLN 54 7.495 5.045 5.045 426 2HB GLN 54 HB1 GLN 54 6.688 4.048 4.048 427 1HG GLN 54 HG2 GLN 54 6.059 2.374 2.374 428 2HG GLN 54 HG1 GLN 54 7.258 2.748 2.748 429 1HE2 GLN 54 HE22 GLN 54 5.001 4.666 4.666 430 2HE2 GLN 54 HE21 GLN 54 6.346 3.618 3.618 431 H ARG 55 HN ARG 55 9.947 5.462 5.462 432 HA ARG 55 HA ARG 55 11.251 6.969 6.969 433 1HB ARG 55 HB2 ARG 55 11.349 4.627 4.627 434 2HB ARG 55 HB1 ARG 55 12.377 6.035 6.035 435 1HG ARG 55 HG2 ARG 55 13.208 5.482 5.482 436 2HG ARG 55 HG1 ARG 55 12.186 4.049 4.049 437 1HD ARG 55 HD2 ARG 55 13.340 3.127 3.127 438 2HD ARG 55 HD1 ARG 55 14.408 4.546 4.546 439 HE ARG 55 HE ARG 55 14.409 2.399 2.399 440 1HH1 ARG 55 HH21 ARG 55 14.512 4.636 4.636 441 2HH1 ARG 55 HH22 ARG 55 16.163 5.160 5.160 442 1HH2 ARG 55 HH11 ARG 55 16.918 3.473 3.473 443 2HH2 ARG 55 HH12 ARG 55 17.528 4.499 4.499 444 H ARG 56 HN ARG 56 8.175 6.234 6.234 445 HA ARG 56 HA ARG 56 7.971 8.152 8.152 446 1HB ARG 56 HB2 ARG 56 6.227 5.710 5.710 447 2HB ARG 56 HB1 ARG 56 6.292 6.746 6.746 448 1HG ARG 56 HG2 ARG 56 8.073 5.684 5.684 449 2HG ARG 56 HG1 ARG 56 8.913 5.542 5.542 450 1HD ARG 56 HD2 ARG 56 7.297 3.795 3.795 451 2HD ARG 56 HD1 ARG 56 6.628 3.834 3.834 452 HE ARG 56 HE ARG 56 9.308 2.773 2.773 453 1HH1 ARG 56 HH21 ARG 56 10.737 3.850 3.850 454 2HH1 ARG 56 HH22 ARG 56 10.210 3.305 3.305 455 1HH2 ARG 56 HH11 ARG 56 7.143 2.144 2.144 456 2HH2 ARG 56 HH12 ARG 56 8.172 2.338 2.338 457 H ARG 57 HN ARG 57 7.727 8.540 8.540 458 HA ARG 57 HA ARG 57 5.094 8.506 8.506 459 1HB ARG 57 HB2 ARG 57 7.242 9.000 9.000 460 2HB ARG 57 HB1 ARG 57 7.219 10.641 10.641 461 1HG ARG 57 HG2 ARG 57 6.187 10.967 10.967 462 2HG ARG 57 HG1 ARG 57 4.767 10.621 10.621 463 1HD ARG 57 HD2 ARG 57 4.973 8.236 8.236 464 2HD ARG 57 HD1 ARG 57 6.290 8.639 8.639 465 HE ARG 57 HE ARG 57 3.440 9.249 9.249 466 1HH1 ARG 57 HH11 ARG 57 6.216 9.036 9.036 467 2HH1 ARG 57 HH12 ARG 57 6.000 10.474 10.474 468 1HH2 ARG 57 HH21 ARG 57 3.337 11.643 11.643 469 2HH2 ARG 57 HH22 ARG 57 4.368 11.951 11.951 470 HA PRO 58 HA PRO 58 4.352 12.734 12.734 471 1HB PRO 58 HB2 PRO 58 6.177 13.763 13.763 472 2HB PRO 58 HB1 PRO 58 6.277 13.985 13.985 473 1HG PRO 58 HG2 PRO 58 7.888 12.287 12.287 474 2HG PRO 58 HG1 PRO 58 8.268 12.942 12.942 475 1HD PRO 58 HD2 PRO 58 7.373 10.345 10.345 476 2HD PRO 58 HD1 PRO 58 7.813 10.861 10.861 477 H SER 59 HN SER 59 4.970 9.885 9.885 478 HA SER 59 HA SER 59 3.696 10.902 10.902 479 1HB SER 59 HB2 SER 59 5.493 8.501 8.501 480 2HB SER 59 HB1 SER 59 4.655 9.010 9.010 481 HG SER 59 HG SER 59 6.037 10.666 10.666 482 H GLN 60 HN GLN 60 1.940 9.793 9.793 483 HA GLN 60 HA GLN 60 0.997 7.314 7.314 484 1HB GLN 60 HB2 GLN 60 -0.329 10.042 10.042 485 2HB GLN 60 HB1 GLN 60 -1.287 8.563 8.563 486 1HG GLN 60 HG2 GLN 60 -0.446 7.902 7.902 487 2HG GLN 60 HG1 GLN 60 1.070 8.768 8.768 488 1HE2 GLN 60 HE22 GLN 60 -0.148 11.239 11.239 489 2HE2 GLN 60 HE21 GLN 60 1.036 10.042 10.042 490 H GLY 61 HN GLY 61 -1.555 8.829 8.829 491 1HA GLY 61 HA2 GLY 61 -2.340 8.922 8.922 492 2HA GLY 61 HA1 GLY 61 -0.795 8.278 8.278 493 H GLY 62 HN GLY 62 -3.615 7.266 7.266 494 1HA GLY 62 HA2 GLY 62 -4.836 5.240 5.240 495 2HA GLY 62 HA1 GLY 62 -4.044 4.871 4.871 496 H GLN 63 HN GLN 63 -1.996 5.699 5.699 497 HA GLN 63 HA GLN 63 -0.724 3.081 3.081 498 1HB GLN 63 HB2 GLN 63 -0.432 5.712 5.712 499 2HB GLN 63 HB1 GLN 63 0.586 4.465 4.465 500 1HG GLN 63 HG2 GLN 63 0.261 5.382 5.382 501 2HG GLN 63 HG1 GLN 63 1.625 5.845 5.845 502 1HE2 GLN 63 HE22 GLN 63 2.534 2.095 2.095 503 2HE2 GLN 63 HE21 GLN 63 1.832 3.036 3.036 504 H THR 64 HN THR 64 -3.116 4.674 4.674 505 HA THR 64 HA THR 64 -4.182 4.027 4.027 506 HB THR 64 HB THR 64 -3.509 1.420 1.420 507 HG1 THR 64 HG1 THR 64 -5.496 1.657 1.657 508 1HG2 THR 64 HG23 THR 64 -4.901 2.017 2.017 509 2HG2 THR 64 HG22 THR 64 -5.750 0.909 0.909 510 3HG2 THR 64 HG21 THR 64 -4.117 0.529 0.529 511 H HIS 65 HN HIS 65 -1.673 4.802 4.802 512 HA HIS 65 HA HIS 65 0.004 2.812 2.812 513 1HB HIS 65 HB2 HIS 65 -0.226 5.765 5.765 514 2HB HIS 65 HB1 HIS 65 0.898 5.147 5.147 515 HD1 HIS 65 HD1 HIS 65 1.642 6.788 6.788 516 HD2 HIS 65 HD2 HIS 65 1.730 2.616 2.616 517 HE1 HIS 65 HE1 HIS 65 3.217 5.993 5.993 518 H GLN 66 HN GLN 66 0.531 3.894 3.894 519 HA GLN 66 HA GLN 66 -2.072 3.664 3.664 520 1HB GLN 66 HB2 GLN 66 0.535 2.254 2.254 521 2HB GLN 66 HB1 GLN 66 -0.510 2.413 2.413 522 1HG GLN 66 HG2 GLN 66 -1.242 0.376 0.376 523 2HG GLN 66 HG1 GLN 66 -2.424 1.557 1.557 524 1HE2 GLN 66 HE22 GLN 66 0.158 0.803 0.803 525 2HE2 GLN 66 HE21 GLN 66 0.675 1.604 1.604 526 H ASP 67 HN ASP 67 1.370 4.397 4.397 527 HA ASP 67 HA ASP 67 0.813 6.179 6.179 528 1HB ASP 67 HB2 ASP 67 2.770 4.770 4.770 529 2HB ASP 67 HB1 ASP 67 3.235 5.533 5.533 530 HA PRO 68 HA PRO 68 1.888 9.586 9.586 531 1HB PRO 68 HB2 PRO 68 2.191 8.979 8.979 532 2HB PRO 68 HB1 PRO 68 3.497 8.872 8.872 533 1HG PRO 68 HG2 PRO 68 1.962 6.728 6.728 534 2HG PRO 68 HG1 PRO 68 3.553 6.656 6.656 535 1HD PRO 68 HD2 PRO 68 1.009 5.852 5.852 536 2HD PRO 68 HD1 PRO 68 2.626 5.688 5.688 537 H ILE 69 HN ILE 69 -0.565 7.252 7.252 538 HA ILE 69 HA ILE 69 -2.133 9.417 9.417 539 HB ILE 69 HB ILE 69 -1.128 7.103 7.103 540 1HG1 ILE 69 HG12 ILE 69 -2.633 9.161 9.161 541 2HG1 ILE 69 HG11 ILE 69 -2.133 7.782 7.782 542 1HG2 ILE 69 HG23 ILE 69 -2.637 5.809 5.809 543 2HG2 ILE 69 HG22 ILE 69 -4.003 6.417 6.417 544 3HG2 ILE 69 HG21 ILE 69 -2.798 5.396 5.396 545 1HD1 ILE 69 HD12 ILE 69 -4.574 7.415 7.415 546 2HD1 ILE 69 HD11 ILE 69 -4.699 8.551 8.551 547 3HD1 ILE 69 HD13 ILE 69 -4.217 6.881 6.881 548 HA PRO 70 HA PRO 70 -4.625 7.215 7.215 549 1HB PRO 70 HB2 PRO 70 -3.916 8.574 8.574 550 2HB PRO 70 HB1 PRO 70 -3.165 7.032 7.032 551 1HG PRO 70 HG2 PRO 70 -2.198 9.832 9.832 552 2HG PRO 70 HG1 PRO 70 -1.296 8.378 8.378 553 1HD PRO 70 HD2 PRO 70 -1.244 9.443 9.443 554 2HD PRO 70 HD1 PRO 70 -1.058 7.684 7.684 555 H LYS 71 HN LYS 71 -3.826 10.272 10.272 556 HA LYS 71 HA LYS 71 -5.659 12.054 12.054 557 1HB LYS 71 HB2 LYS 71 -4.316 11.786 11.786 558 2HB LYS 71 HB1 LYS 71 -5.386 13.186 13.186 559 1HG LYS 71 HG2 LYS 71 -3.486 13.744 13.744 560 2HG LYS 71 HG1 LYS 71 -3.823 13.782 13.782 561 1HD LYS 71 HD2 LYS 71 -2.450 11.485 11.485 562 2HD LYS 71 HD1 LYS 71 -1.534 12.951 12.951 563 1HE LYS 71 HE2 LYS 71 -2.729 11.635 11.635 564 2HE LYS 71 HE1 LYS 71 -1.130 11.175 11.175 565 1HZ LYS 71 HZ1 LYS 71 -0.543 13.561 13.561 566 2HZ LYS 71 HZ3 LYS 71 -2.010 13.916 13.916 567 3HZ LYS 71 HZ2 LYS 71 -0.838 12.974 12.974 568 H GLN 72 HN GLN 72 -5.815 10.070 10.070 569 HA GLN 72 HA GLN 72 -8.660 9.548 9.548 570 1HB GLN 72 HB2 GLN 72 -8.650 11.148 11.148 571 2HB GLN 72 HB1 GLN 72 -9.220 11.686 11.686 572 1HG GLN 72 HG2 GLN 72 -7.781 13.283 13.283 573 2HG GLN 72 HG1 GLN 72 -6.774 12.621 12.621 574 1HE2 GLN 72 HE22 GLN 72 -4.519 11.289 11.289 575 2HE2 GLN 72 HE21 GLN 72 -4.958 11.042 11.042 576 HA PRO 73 HA PRO 73 -7.475 6.847 6.847 577 1HB PRO 73 HB2 PRO 73 -8.956 7.362 7.362 578 2HB PRO 73 HB1 PRO 73 -9.665 6.539 6.539 579 1HG PRO 73 HG2 PRO 73 -9.801 9.472 9.472 580 2HG PRO 73 HG1 PRO 73 -11.158 8.410 8.410 581 1HD PRO 73 HD2 PRO 73 -9.950 10.050 10.050 582 2HD PRO 73 HD1 PRO 73 -10.296 8.408 8.408 583 H SER 74 HN SER 74 -8.037 10.164 10.164 584 HA SER 74 HA SER 74 -6.744 11.557 11.557 585 1HB SER 74 HB2 SER 74 -4.845 11.692 11.692 586 2HB SER 74 HB1 SER 74 -4.946 10.149 10.149 587 HG SER 74 HG SER 74 -3.480 11.220 11.220 588 H SER 75 HN SER 75 -7.243 11.306 11.306 589 HA SER 75 HA SER 75 -6.792 10.698 10.698 590 1HB SER 75 HB2 SER 75 -4.511 10.158 10.158 591 2HB SER 75 HB1 SER 75 -4.948 8.527 8.527 592 HG SER 75 HG SER 75 -4.676 8.965 8.965 593 H GLN 76 HN GLN 76 -7.458 8.188 8.188 594 HA GLN 76 HA GLN 76 -8.315 6.164 6.164 595 1HB GLN 76 HB2 GLN 76 -8.413 6.649 6.649 596 2HB GLN 76 HB1 GLN 76 -9.481 5.412 5.412 597 1HG GLN 76 HG2 GLN 76 -7.746 4.014 4.014 598 2HG GLN 76 HG1 GLN 76 -7.017 4.946 4.946 599 1HE2 GLN 76 HE22 GLN 76 -4.856 6.786 6.786 600 2HE2 GLN 76 HE21 GLN 76 -5.704 6.940 6.940 601 HA PRO 77 HA PRO 77 -12.665 7.843 7.843 602 1HB PRO 77 HB2 PRO 77 -12.841 10.389 10.389 603 2HB PRO 77 HB1 PRO 77 -12.685 8.918 8.918 604 1HG PRO 77 HG2 PRO 77 -10.673 10.942 10.942 605 2HG PRO 77 HG1 PRO 77 -10.852 10.106 10.106 606 1HD PRO 77 HD2 PRO 77 -9.096 9.563 9.563 607 2HD PRO 77 HD1 PRO 77 -9.463 8.392 8.392 608 H ARG 78 HN ARG 78 -10.166 9.629 9.629 609 HA ARG 78 HA ARG 78 -12.102 10.603 10.603 610 1HB ARG 78 HB2 ARG 78 -10.979 12.861 12.861 611 2HB ARG 78 HB1 ARG 78 -11.813 12.400 12.400 612 1HG ARG 78 HG2 ARG 78 -9.553 11.569 11.569 613 2HG ARG 78 HG1 ARG 78 -8.848 12.234 12.234 614 1HD ARG 78 HD2 ARG 78 -9.597 14.479 14.479 615 2HD ARG 78 HD1 ARG 78 -10.398 13.848 13.848 616 HE ARG 78 HE ARG 78 -7.614 12.999 12.999 617 1HH1 ARG 78 HH11 ARG 78 -9.500 14.148 14.148 618 2HH1 ARG 78 HH12 ARG 78 -8.509 15.471 15.471 619 1HH2 ARG 78 HH21 ARG 78 -6.410 15.324 15.324 620 2HH2 ARG 78 HH22 ARG 78 -6.755 16.138 16.138 621 H GLY 79 HN GLY 79 -10.079 8.453 8.453 622 1HA GLY 79 HA2 GLY 79 -8.493 9.444 9.444 623 2HA GLY 79 HA1 GLY 79 -7.614 8.779 8.779 624 H ASP 80 HN ASP 80 -7.117 6.673 6.673 625 HA ASP 80 HA ASP 80 -8.310 5.009 5.009 626 1HB ASP 80 HB2 ASP 80 -5.941 4.910 4.910 627 2HB ASP 80 HB1 ASP 80 -6.448 4.393 4.393 628 HA PRO 81 HA PRO 81 -11.617 3.367 3.367 629 1HB PRO 81 HB2 PRO 81 -12.090 1.067 1.067 630 2HB PRO 81 HB1 PRO 81 -12.581 2.675 2.675 631 1HG PRO 81 HG2 PRO 81 -10.174 1.068 1.068 632 2HG PRO 81 HG1 PRO 81 -11.264 2.006 2.006 633 1HD PRO 81 HD2 PRO 81 -8.851 2.924 2.924 634 2HD PRO 81 HD1 PRO 81 -10.233 4.006 4.006 635 H THR 82 HN THR 82 -10.101 2.979 2.979 636 HA THR 82 HA THR 82 -8.510 0.582 0.582 637 HB THR 82 HB THR 82 -8.782 1.294 1.294 638 HG1 THR 82 HG1 THR 82 -10.424 2.660 2.660 639 1HG2 THR 82 HG23 THR 82 -7.020 1.928 1.928 640 2HG2 THR 82 HG22 THR 82 -7.590 3.530 3.530 641 3HG2 THR 82 HG21 THR 82 -6.859 2.467 2.467 642 H GLY 83 HN GLY 83 -11.726 1.465 1.465 643 1HA GLY 83 HA2 GLY 83 -13.058 -0.932 -0.932 644 2HA GLY 83 HA1 GLY 83 -12.102 -1.178 -1.178 645 HA PRO 84 HA PRO 84 -15.434 1.071 1.071 646 1HB PRO 84 HB2 PRO 84 -14.639 0.576 0.576 647 2HB PRO 84 HB1 PRO 84 -15.351 -0.654 -0.654 648 1HG PRO 84 HG2 PRO 84 -12.623 -0.439 -0.439 649 2HG PRO 84 HG1 PRO 84 -13.407 -1.780 -1.780 650 1HD PRO 84 HD2 PRO 84 -11.748 0.391 0.391 651 2HD PRO 84 HD1 PRO 84 -11.916 -1.134 -1.134 652 H LYS 85 HN LYS 85 -12.260 2.200 2.200 653 HA LYS 85 HA LYS 85 -12.566 4.358 4.358 654 1HB LYS 85 HB2 LYS 85 -10.404 3.767 3.767 655 2HB LYS 85 HB1 LYS 85 -10.297 4.886 4.886 656 1HG LYS 85 HG2 LYS 85 -10.826 2.852 2.852 657 2HG LYS 85 HG1 LYS 85 -10.509 1.866 1.866 658 1HD LYS 85 HD2 LYS 85 -8.497 2.025 2.025 659 2HD LYS 85 HD1 LYS 85 -8.272 2.864 2.864 660 1HE LYS 85 HE2 LYS 85 -8.361 4.979 4.979 661 2HE LYS 85 HE1 LYS 85 -9.285 4.418 4.418 662 1HZ LYS 85 HZ3 LYS 85 -6.482 3.569 3.569 663 2HZ LYS 85 HZ2 LYS 85 -6.867 4.763 4.763 664 3HZ LYS 85 HZ1 LYS 85 -7.365 3.158 3.158 665 H GLU 86 HN GLU 86 -13.970 3.948 3.948 666 HA GLU 86 HA GLU 86 -13.305 6.402 6.402 667 1HB GLU 86 HB2 GLU 86 -15.542 4.367 4.367 668 2HB GLU 86 HB1 GLU 86 -15.295 5.677 5.677 669 1HG GLU 86 HG2 GLU 86 -13.022 4.823 4.823 670 2HG GLU 86 HG1 GLU 86 -13.374 3.496 3.496 Start of MODEL 6 1 1H LEU 1 HT2 LEU 1 14.879 -10.401 -10.401 2 2H LEU 1 HT1 LEU 1 13.524 -11.425 -11.425 3 3H LEU 1 HT3 LEU 1 13.942 -10.526 -10.526 4 HA LEU 1 HA LEU 1 12.106 -9.409 -9.409 5 1HB LEU 1 HB2 LEU 1 12.088 -8.944 -8.944 6 2HB LEU 1 HB1 LEU 1 12.446 -10.662 -10.662 7 HG LEU 1 HG LEU 1 14.938 -9.281 -9.281 8 1HD1 LEU 1 HD13 LEU 1 13.509 -7.487 -7.487 9 2HD1 LEU 1 HD12 LEU 1 13.477 -8.615 -8.615 10 3HD1 LEU 1 HD11 LEU 1 15.016 -7.990 -7.990 11 1HD2 LEU 1 HD21 LEU 1 13.979 -11.605 -11.605 12 2HD2 LEU 1 HD23 LEU 1 15.528 -10.914 -10.914 13 3HD2 LEU 1 HD22 LEU 1 14.103 -10.674 -10.674 14 H ASP 2 HN ASP 2 12.220 -7.051 -7.051 15 HA ASP 2 HA ASP 2 12.984 -4.844 -4.844 16 1HB ASP 2 HB2 ASP 2 14.665 -6.194 -6.194 17 2HB ASP 2 HB1 ASP 2 15.755 -5.875 -5.875 18 HA PRO 3 HA PRO 3 14.718 -5.668 -5.668 19 1HB PRO 3 HB2 PRO 3 12.459 -6.024 -6.024 20 2HB PRO 3 HB1 PRO 3 13.245 -7.315 -7.315 21 1HG PRO 3 HG2 PRO 3 10.711 -6.018 -6.018 22 2HG PRO 3 HG1 PRO 3 11.341 -7.562 -7.562 23 1HD PRO 3 HD2 PRO 3 11.254 -5.024 -5.024 24 2HD PRO 3 HD1 PRO 3 11.688 -6.614 -6.614 25 H VAL 4 HN VAL 4 11.688 -4.350 -4.350 26 HA VAL 4 HA VAL 4 12.852 -1.778 -1.778 27 HB VAL 4 HB VAL 4 10.152 -3.149 -3.149 28 1HG1 VAL 4 HG11 VAL 4 10.717 -0.249 -0.249 29 2HG1 VAL 4 HG13 VAL 4 9.536 -1.133 -1.133 30 3HG1 VAL 4 HG12 VAL 4 9.304 -0.962 -0.962 31 1HG2 VAL 4 HG22 VAL 4 12.305 -3.271 -3.271 32 2HG2 VAL 4 HG21 VAL 4 10.646 -3.692 -3.692 33 3HG2 VAL 4 HG23 VAL 4 11.273 -2.091 -2.091 34 H ASP 5 HN ASP 5 10.110 -2.667 -2.667 35 HA ASP 5 HA ASP 5 10.934 -0.936 -0.936 36 1HB ASP 5 HB2 ASP 5 9.314 0.167 0.167 37 2HB ASP 5 HB1 ASP 5 8.181 -0.275 -0.275 38 HA PRO 6 HA PRO 6 7.528 -3.956 -3.956 39 1HB PRO 6 HB2 PRO 6 5.531 -4.475 -4.475 40 2HB PRO 6 HB1 PRO 6 5.519 -3.021 -3.021 41 1HG PRO 6 HG2 PRO 6 5.878 -3.267 -3.267 42 2HG PRO 6 HG1 PRO 6 5.646 -1.792 -1.792 43 1HD PRO 6 HD2 PRO 6 8.017 -3.087 -3.087 44 2HD PRO 6 HD1 PRO 6 7.810 -1.372 -1.372 45 H ASN 7 HN ASN 7 6.336 -6.253 -6.253 46 HA ASN 7 HA ASN 7 8.706 -7.704 -7.704 47 1HB ASN 7 HB2 ASN 7 5.803 -8.366 -8.366 48 2HB ASN 7 HB1 ASN 7 6.921 -9.574 -9.574 49 1HD2 ASN 7 HD22 ASN 7 7.224 -8.501 -8.501 50 2HD2 ASN 7 HD21 ASN 7 6.132 -7.693 -7.693 51 H ILE 8 HN ILE 8 5.461 -7.186 -7.186 52 HA ILE 8 HA ILE 8 6.773 -7.222 -7.222 53 HB ILE 8 HB ILE 8 5.015 -8.609 -8.609 54 1HG1 ILE 8 HG12 ILE 8 3.159 -7.455 -7.455 55 2HG1 ILE 8 HG11 ILE 8 3.013 -9.184 -9.184 56 1HG2 ILE 8 HG23 ILE 8 6.267 -9.490 -9.490 57 2HG2 ILE 8 HG22 ILE 8 4.987 -10.500 -10.500 58 3HG2 ILE 8 HG21 ILE 8 6.427 -10.155 -10.155 59 1HD1 ILE 8 HD13 ILE 8 4.345 -9.252 -9.252 60 2HD1 ILE 8 HD12 ILE 8 3.686 -7.625 -7.625 61 3HD1 ILE 8 HD11 ILE 8 2.600 -8.999 -8.999 62 H GLU 9 HN GLU 9 5.402 -5.183 -5.183 63 HA GLU 9 HA GLU 9 4.188 -3.177 -3.177 64 1HB GLU 9 HB2 GLU 9 5.087 -3.708 -3.708 65 2HB GLU 9 HB1 GLU 9 4.216 -2.262 -2.262 66 1HG GLU 9 HG2 GLU 9 5.924 -1.689 -1.689 67 2HG GLU 9 HG1 GLU 9 6.805 -3.178 -3.178 68 HA PRO 10 HA PRO 10 0.457 -5.508 -5.508 69 1HB PRO 10 HB2 PRO 10 -0.513 -6.292 -6.292 70 2HB PRO 10 HB1 PRO 10 0.515 -7.351 -7.351 71 1HG PRO 10 HG2 PRO 10 0.941 -5.665 -5.665 72 2HG PRO 10 HG1 PRO 10 1.796 -7.221 -7.221 73 1HD PRO 10 HD2 PRO 10 2.803 -4.635 -4.635 74 2HD PRO 10 HD1 PRO 10 3.435 -6.009 -6.009 75 H TRP 11 HN TRP 11 0.702 -2.722 -2.722 76 HA TRP 11 HA TRP 11 -1.749 -2.167 -2.167 77 1HB TRP 11 HB2 TRP 11 0.591 -0.489 -0.489 78 2HB TRP 11 HB1 TRP 11 -0.616 -0.082 -0.082 79 HD1 TRP 11 HD1 TRP 11 2.744 -1.507 -1.507 80 HE1 TRP 11 HE1 TRP 11 3.359 -3.038 -3.038 81 HE3 TRP 11 HE3 TRP 11 -1.861 -2.143 -2.143 82 HZ2 TRP 11 HZ2 TRP 11 2.051 -4.366 -4.366 83 HZ3 TRP 11 HZ3 TRP 11 -2.144 -3.546 -3.546 84 HH2 TRP 11 HH2 TRP 11 -0.198 -4.654 -4.654 85 H ASN 12 HN ASN 12 -1.546 -2.774 -2.774 86 HA ASN 12 HA ASN 12 -2.444 -0.178 -0.178 87 1HB ASN 12 HB2 ASN 12 -1.958 -1.507 -1.507 88 2HB ASN 12 HB1 ASN 12 -0.634 -0.854 -0.854 89 1HD2 ASN 12 HD22 ASN 12 0.606 -3.964 -3.964 90 2HD2 ASN 12 HD21 ASN 12 0.479 -2.315 -2.315 91 H HIS 13 HN HIS 13 -4.558 -0.392 -0.392 92 HA HIS 13 HA HIS 13 -6.119 -2.818 -2.818 93 1HB HIS 13 HB2 HIS 13 -6.448 -0.447 -0.447 94 2HB HIS 13 HB1 HIS 13 -7.733 -1.659 -1.659 95 HD1 HIS 13 HD1 HIS 13 -7.412 -2.382 -2.382 96 HD2 HIS 13 HD2 HIS 13 -3.976 -2.852 -2.852 97 HE1 HIS 13 HE1 HIS 13 -5.809 -3.771 -3.771 98 HA PRO 14 HA PRO 14 -8.196 -0.503 -0.503 99 1HB PRO 14 HB2 PRO 14 -10.124 -2.518 -2.518 100 2HB PRO 14 HB1 PRO 14 -8.502 -2.530 -2.530 101 1HG PRO 14 HG2 PRO 14 -9.708 -3.765 -3.765 102 2HG PRO 14 HG1 PRO 14 -8.627 -4.517 -4.517 103 1HD PRO 14 HD2 PRO 14 -7.645 -3.687 -3.687 104 2HD PRO 14 HD1 PRO 14 -6.702 -3.571 -3.571 105 H GLY 15 HN GLY 15 -9.397 -1.643 -1.643 106 1HA GLY 15 HA2 GLY 15 -10.974 -0.874 -0.874 107 2HA GLY 15 HA1 GLY 15 -11.424 0.458 0.458 108 H SER 16 HN SER 16 -11.207 -2.933 -2.933 109 HA SER 16 HA SER 16 -14.104 -3.472 -3.472 110 1HB SER 16 HB2 SER 16 -13.771 -2.193 -2.193 111 2HB SER 16 HB1 SER 16 -12.523 -3.323 -3.323 112 HG SER 16 HG SER 16 -15.339 -3.577 -3.577 113 H GLN 17 HN GLN 17 -11.181 -4.554 -4.554 114 HA GLN 17 HA GLN 17 -11.865 -7.398 -7.398 115 1HB GLN 17 HB2 GLN 17 -9.558 -5.902 -5.902 116 2HB GLN 17 HB1 GLN 17 -9.398 -7.622 -7.622 117 1HG GLN 17 HG2 GLN 17 -10.498 -8.288 -8.288 118 2HG GLN 17 HG1 GLN 17 -11.862 -7.243 -7.243 119 1HE2 GLN 17 HE22 GLN 17 -10.730 -4.767 -4.767 120 2HE2 GLN 17 HE21 GLN 17 -11.832 -5.092 -5.092 121 HA PRO 18 HA PRO 18 -8.401 -7.317 -7.317 122 1HB PRO 18 HB2 PRO 18 -7.068 -4.975 -4.975 123 2HB PRO 18 HB1 PRO 18 -6.515 -6.200 -6.200 124 1HG PRO 18 HG2 PRO 18 -8.153 -3.736 -3.736 125 2HG PRO 18 HG1 PRO 18 -6.700 -4.315 -4.315 126 1HD PRO 18 HD2 PRO 18 -9.185 -4.595 -4.595 127 2HD PRO 18 HD1 PRO 18 -7.980 -5.904 -5.904 128 H LYS 19 HN LYS 19 -10.522 -4.624 -4.624 129 HA LYS 19 HA LYS 19 -10.914 -4.117 -4.117 130 1HB LYS 19 HB2 LYS 19 -12.264 -2.864 -2.864 131 2HB LYS 19 HB1 LYS 19 -12.059 -2.145 -2.145 132 1HG LYS 19 HG2 LYS 19 -9.413 -2.531 -2.531 133 2HG LYS 19 HG1 LYS 19 -10.231 -2.361 -2.361 134 1HD LYS 19 HD2 LYS 19 -10.688 -0.085 -0.085 135 2HD LYS 19 HD1 LYS 19 -10.920 -0.405 -0.405 136 1HE LYS 19 HE2 LYS 19 -8.427 -0.710 -0.710 137 2HE LYS 19 HE1 LYS 19 -8.263 -0.166 -0.166 138 1HZ LYS 19 HZ3 LYS 19 -9.651 1.313 1.313 139 2HZ LYS 19 HZ2 LYS 19 -8.117 1.696 1.696 140 3HZ LYS 19 HZ1 LYS 19 -9.493 1.841 1.841 141 H THR 20 HN THR 20 -12.269 -5.996 -5.996 142 HA THR 20 HA THR 20 -14.516 -6.749 -6.749 143 HB THR 20 HB THR 20 -15.320 -4.772 -4.772 144 HG1 THR 20 HG1 THR 20 -16.423 -7.112 -7.112 145 1HG2 THR 20 HG22 THR 20 -13.717 -5.137 -5.137 146 2HG2 THR 20 HG21 THR 20 -14.956 -6.214 -6.214 147 3HG2 THR 20 HG23 THR 20 -15.321 -4.510 -4.510 148 H ALA 21 HN ALA 21 -13.102 -7.237 -7.237 149 HA ALA 21 HA ALA 21 -14.194 -10.001 -10.001 150 1HB ALA 21 HB2 ALA 21 -14.020 -8.090 -8.090 151 2HB ALA 21 HB1 ALA 21 -12.503 -8.935 -8.935 152 3HB ALA 21 HB3 ALA 21 -14.032 -9.809 -9.809 153 H CYS 22 HN CYS 22 -11.906 -9.166 -9.166 154 HA CYS 22 HA CYS 22 -10.253 -11.456 -11.456 155 1HB CYS 22 HB2 CYS 22 -9.591 -10.137 -10.137 156 2HB CYS 22 HB1 CYS 22 -8.811 -9.094 -9.094 157 HG CYS 22 HG CYS 22 -6.974 -10.740 -10.740 158 H ASN 23 HN ASN 23 -11.444 -10.009 -10.009 159 HA ASN 23 HA ASN 23 -9.779 -8.016 -8.016 160 1HB ASN 23 HB2 ASN 23 -12.342 -8.955 -8.955 161 2HB ASN 23 HB1 ASN 23 -11.590 -9.584 -9.584 162 1HD2 ASN 23 HD22 ASN 23 -11.520 -5.511 -5.511 163 2HD2 ASN 23 HD21 ASN 23 -11.223 -6.603 -6.603 164 H ARG 24 HN ARG 24 -7.790 -8.480 -8.480 165 HA ARG 24 HA ARG 24 -6.573 -10.937 -10.937 166 1HB ARG 24 HB2 ARG 24 -6.129 -8.051 -8.051 167 2HB ARG 24 HB1 ARG 24 -5.154 -9.147 -9.147 168 1HG ARG 24 HG2 ARG 24 -3.833 -8.825 -8.825 169 2HG ARG 24 HG1 ARG 24 -4.683 -10.321 -10.321 170 1HD ARG 24 HD2 ARG 24 -4.975 -8.995 -8.995 171 2HD ARG 24 HD1 ARG 24 -6.486 -8.893 -8.893 172 HE ARG 24 HE ARG 24 -6.041 -6.620 -6.620 173 1HH1 ARG 24 HH21 ARG 24 -3.844 -6.091 -6.091 174 2HH1 ARG 24 HH22 ARG 24 -2.572 -5.627 -5.627 175 1HH2 ARG 24 HH11 ARG 24 -4.120 -6.963 -6.963 176 2HH2 ARG 24 HH12 ARG 24 -2.729 -6.124 -6.124 177 H CYS 25 HN CYS 25 -7.534 -8.525 -8.525 178 HA CYS 25 HA CYS 25 -8.636 -8.851 -8.851 179 1HB CYS 25 HB2 CYS 25 -9.342 -11.123 -11.123 180 2HB CYS 25 HB1 CYS 25 -8.165 -11.819 -11.819 181 HG CYS 25 HG CYS 25 -10.605 -11.659 -11.659 182 H HIS 26 HN HIS 26 -5.882 -8.254 -8.254 183 HA HIS 26 HA HIS 26 -4.854 -8.910 -8.910 184 1HB HIS 26 HB2 HIS 26 -2.671 -9.932 -9.932 185 2HB HIS 26 HB1 HIS 26 -4.145 -10.900 -10.900 186 HD1 HIS 26 HD1 HIS 26 -1.961 -9.554 -9.554 187 HD2 HIS 26 HD2 HIS 26 -5.607 -11.532 -11.532 188 HE1 HIS 26 HE1 HIS 26 -2.554 -10.392 -10.392 189 H CYS 27 HN CYS 27 -3.634 -7.932 -7.932 190 HA CYS 27 HA CYS 27 -1.976 -5.785 -5.785 191 1HB CYS 27 HB2 CYS 27 -2.818 -6.805 -6.805 192 2HB CYS 27 HB1 CYS 27 -2.017 -5.249 -5.249 193 HG CYS 27 HG CYS 27 -0.125 -7.036 -7.036 194 H LYS 28 HN LYS 28 -5.230 -6.229 -6.229 195 HA LYS 28 HA LYS 28 -5.984 -3.503 -3.503 196 1HB LYS 28 HB2 LYS 28 -7.025 -5.332 -5.332 197 2HB LYS 28 HB1 LYS 28 -7.351 -6.040 -6.040 198 1HG LYS 28 HG2 LYS 28 -8.699 -3.795 -3.795 199 2HG LYS 28 HG1 LYS 28 -8.696 -3.602 -3.602 200 1HD LYS 28 HD2 LYS 28 -10.767 -4.682 -4.682 201 2HD LYS 28 HD1 LYS 28 -9.734 -5.821 -5.821 202 1HE LYS 28 HE2 LYS 28 -8.928 -6.722 -6.722 203 2HE LYS 28 HE1 LYS 28 -10.124 -5.684 -5.684 204 1HZ LYS 28 HZ2 LYS 28 -10.707 -7.667 -7.667 205 2HZ LYS 28 HZ1 LYS 28 -10.977 -7.932 -7.932 206 3HZ LYS 28 HZ3 LYS 28 -11.852 -6.731 -6.731 207 H LYS 29 HN LYS 29 -6.019 -5.593 -5.593 208 HA LYS 29 HA LYS 29 -7.336 -3.952 -3.952 209 1HB LYS 29 HB2 LYS 29 -5.201 -6.053 -6.053 210 2HB LYS 29 HB1 LYS 29 -5.519 -5.131 -5.131 211 1HG LYS 29 HG2 LYS 29 -6.942 -7.014 -7.014 212 2HG LYS 29 HG1 LYS 29 -7.980 -5.667 -5.667 213 1HD LYS 29 HD2 LYS 29 -8.250 -6.442 -6.442 214 2HD LYS 29 HD1 LYS 29 -6.735 -7.335 -7.335 215 1HE LYS 29 HE2 LYS 29 -8.141 -9.092 -9.092 216 2HE LYS 29 HE1 LYS 29 -7.916 -8.708 -8.708 217 1HZ LYS 29 HZ3 LYS 29 -10.074 -7.613 -7.613 218 2HZ LYS 29 HZ2 LYS 29 -10.319 -8.832 -8.832 219 3HZ LYS 29 HZ1 LYS 29 -9.890 -7.265 -7.265 220 H CYS 30 HN CYS 30 -3.870 -4.086 -4.086 221 HA CYS 30 HA CYS 30 -2.179 -2.517 -2.517 222 1HB CYS 30 HB2 CYS 30 -3.571 -1.780 -1.780 223 2HB CYS 30 HB1 CYS 30 -4.339 -0.537 -0.537 224 HG CYS 30 HG CYS 30 -1.419 -0.619 -0.619 225 H CYS 31 HN CYS 31 -4.186 -3.288 -3.288 226 HA CYS 31 HA CYS 31 -4.451 -0.838 -0.838 227 1HB CYS 31 HB2 CYS 31 -5.523 -3.642 -3.642 228 2HB CYS 31 HB1 CYS 31 -5.539 -2.766 -2.766 229 HG CYS 31 HG CYS 31 -7.747 -2.339 -2.339 230 H TYR 32 HN TYR 32 -1.944 -2.515 -2.515 231 HA TYR 32 HA TYR 32 -0.948 -2.975 -2.975 232 1HB TYR 32 HB2 TYR 32 0.820 -4.316 -4.316 233 2HB TYR 32 HB1 TYR 32 -0.778 -5.082 -5.082 234 HD1 TYR 32 HD1 TYR 32 1.663 -3.445 -3.445 235 HD2 TYR 32 HD2 TYR 32 -2.291 -5.118 -5.118 236 HE1 TYR 32 HE1 TYR 32 1.535 -3.429 -3.429 237 HE2 TYR 32 HE2 TYR 32 -2.404 -5.124 -5.124 238 HH TYR 32 HH TYR 32 -0.641 -3.375 -3.375 239 H HIS 33 HN HIS 33 -0.891 -0.428 -0.428 240 HA HIS 33 HA HIS 33 0.539 1.448 1.448 241 1HB HIS 33 HB2 HIS 33 2.698 -0.716 -0.716 242 2HB HIS 33 HB1 HIS 33 2.952 1.010 1.010 243 HD1 HIS 33 HD1 HIS 33 2.767 2.071 2.071 244 HD2 HIS 33 HD2 HIS 33 1.790 -1.983 -1.983 245 HE1 HIS 33 HE1 HIS 33 2.622 1.356 1.356 246 H CYS 34 HN CYS 34 -0.299 -0.543 -0.543 247 HA CYS 34 HA CYS 34 -0.478 -0.260 -0.260 248 1HB CYS 34 HB2 CYS 34 -0.729 2.340 2.340 249 2HB CYS 34 HB1 CYS 34 0.251 2.415 2.415 250 HG CYS 34 HG CYS 34 -2.490 2.540 2.540 251 H GLN 35 HN GLN 35 1.425 -1.496 -1.496 252 HA GLN 35 HA GLN 35 3.875 0.100 0.100 253 1HB GLN 35 HB2 GLN 35 3.442 -2.860 -2.860 254 2HB GLN 35 HB1 GLN 35 5.014 -2.112 -2.112 255 1HG GLN 35 HG2 GLN 35 3.280 -1.815 -1.815 256 2HG GLN 35 HG1 GLN 35 4.973 -2.291 -2.291 257 1HE2 GLN 35 HE22 GLN 35 4.190 1.537 1.537 258 2HE2 GLN 35 HE21 GLN 35 3.085 0.264 0.264 259 H VAL 36 HN VAL 36 1.308 -1.886 -1.886 260 HA VAL 36 HA VAL 36 0.727 -2.451 -2.451 261 HB VAL 36 HB VAL 36 2.821 -0.379 -0.379 262 1HG1 VAL 36 HG11 VAL 36 0.391 -1.321 -1.321 263 2HG1 VAL 36 HG13 VAL 36 0.988 0.326 0.326 264 3HG1 VAL 36 HG12 VAL 36 2.025 -1.042 -1.042 265 1HG2 VAL 36 HG22 VAL 36 0.047 -0.034 -0.034 266 2HG2 VAL 36 HG21 VAL 36 1.536 0.796 0.796 267 3HG2 VAL 36 HG23 VAL 36 0.749 1.175 1.175 268 H CYS 37 HN CYS 37 2.210 -4.392 -4.392 269 HA CYS 37 HA CYS 37 4.070 -5.887 -5.887 270 1HB CYS 37 HB2 CYS 37 1.930 -6.013 -6.013 271 2HB CYS 37 HB1 CYS 37 3.235 -5.929 -5.929 272 HG CYS 37 HG CYS 37 2.538 -8.390 -8.390 273 H PHE 38 HN PHE 38 5.632 -3.913 -3.913 274 HA PHE 38 HA PHE 38 6.827 -3.060 -3.060 275 1HB PHE 38 HB2 PHE 38 8.193 -1.575 -1.575 276 2HB PHE 38 HB1 PHE 38 6.418 -1.527 -1.527 277 HD1 PHE 38 HD1 PHE 38 7.434 -4.580 -4.580 278 HD2 PHE 38 HD2 PHE 38 7.654 -0.356 -0.356 279 HE1 PHE 38 HE1 PHE 38 7.771 -5.027 -5.027 280 HE2 PHE 38 HE2 PHE 38 7.987 -0.813 -0.813 281 HZ PHE 38 HZ PHE 38 8.052 -3.150 -3.150 282 H ILE 39 HN ILE 39 9.511 -3.017 -3.017 283 HA ILE 39 HA ILE 39 10.817 -5.095 -5.095 284 HB ILE 39 HB ILE 39 12.713 -4.562 -4.562 285 1HG1 ILE 39 HG12 ILE 39 11.269 -2.419 -2.419 286 2HG1 ILE 39 HG11 ILE 39 10.763 -3.986 -3.986 287 1HG2 ILE 39 HG22 ILE 39 12.102 -3.107 -3.107 288 2HG2 ILE 39 HG21 ILE 39 11.165 -2.097 -2.097 289 3HG2 ILE 39 HG23 ILE 39 12.913 -2.232 -2.232 290 1HD1 ILE 39 HD12 ILE 39 13.641 -3.134 -3.134 291 2HD1 ILE 39 HD11 ILE 39 12.651 -3.214 -3.214 292 3HD1 ILE 39 HD13 ILE 39 13.037 -4.689 -4.689 293 H THR 40 HN THR 40 9.480 -5.161 -5.161 294 HA THR 40 HA THR 40 10.419 -7.986 -7.986 295 HB THR 40 HB THR 40 9.342 -6.055 -6.055 296 HG1 THR 40 HG1 THR 40 12.006 -6.678 -6.678 297 1HG2 THR 40 HG21 THR 40 9.764 -8.802 -8.802 298 2HG2 THR 40 HG23 THR 40 11.230 -8.118 -8.118 299 3HG2 THR 40 HG22 THR 40 9.654 -7.702 -7.702 300 H LYS 41 HN LYS 41 8.939 -9.638 -9.638 301 HA LYS 41 HA LYS 41 6.188 -9.218 -9.218 302 1HB LYS 41 HB2 LYS 41 6.042 -11.649 -11.649 303 2HB LYS 41 HB1 LYS 41 7.539 -11.227 -11.227 304 1HG LYS 41 HG2 LYS 41 8.569 -12.475 -12.475 305 2HG LYS 41 HG1 LYS 41 8.382 -11.090 -11.090 306 1HD LYS 41 HD2 LYS 41 5.942 -12.696 -12.696 307 2HD LYS 41 HD1 LYS 41 7.339 -13.677 -13.677 308 1HE LYS 41 HE2 LYS 41 7.516 -12.750 -12.750 309 2HE LYS 41 HE1 LYS 41 7.409 -11.104 -11.104 310 1HZ LYS 41 HZ1 LYS 41 5.078 -12.908 -12.908 311 2HZ LYS 41 HZ3 LYS 41 5.477 -11.703 -11.703 312 3HZ LYS 41 HZ2 LYS 41 5.079 -11.273 -11.273 313 H GLY 42 HN GLY 42 7.758 -9.001 -9.001 314 1HA GLY 42 HA2 GLY 42 5.633 -9.854 -9.854 315 2HA GLY 42 HA1 GLY 42 6.952 -8.767 -8.767 316 H LEU 43 HN LEU 43 5.969 -7.092 -7.092 317 HA LEU 43 HA LEU 43 4.445 -5.360 -5.360 318 1HB LEU 43 HB2 LEU 43 2.742 -6.646 -6.646 319 2HB LEU 43 HB1 LEU 43 2.290 -5.442 -5.442 320 HG LEU 43 HG LEU 43 3.351 -8.087 -8.087 321 1HD1 LEU 43 HD12 LEU 43 0.765 -7.261 -7.261 322 2HD1 LEU 43 HD11 LEU 43 0.640 -8.085 -8.085 323 3HD1 LEU 43 HD13 LEU 43 1.446 -8.876 -8.876 324 1HD2 LEU 43 HD22 LEU 43 3.502 -6.152 -6.152 325 2HD2 LEU 43 HD21 LEU 43 2.347 -7.356 -7.356 326 3HD2 LEU 43 HD23 LEU 43 1.769 -5.877 -5.877 327 H GLY 44 HN GLY 44 6.675 -4.951 -4.951 328 1HA GLY 44 HA2 GLY 44 7.570 -3.614 -3.614 329 2HA GLY 44 HA1 GLY 44 6.445 -2.405 -2.405 330 H ILE 45 HN ILE 45 6.160 -5.514 -5.514 331 HA ILE 45 HA ILE 45 4.312 -4.287 -4.287 332 HB ILE 45 HB ILE 45 4.080 -6.721 -6.721 333 1HG1 ILE 45 HG12 ILE 45 5.742 -7.189 -7.189 334 2HG1 ILE 45 HG11 ILE 45 6.351 -7.456 -7.456 335 1HG2 ILE 45 HG21 ILE 45 3.596 -5.867 -5.867 336 2HG2 ILE 45 HG23 ILE 45 2.925 -7.343 -7.343 337 3HG2 ILE 45 HG22 ILE 45 2.470 -5.773 -5.773 338 1HD1 ILE 45 HD12 ILE 45 4.614 -9.027 -9.027 339 2HD1 ILE 45 HD11 ILE 45 4.058 -8.969 -8.969 340 3HD1 ILE 45 HD13 ILE 45 5.672 -9.575 -9.575 341 H SER 46 HN SER 46 7.453 -6.048 -6.048 342 HA SER 46 HA SER 46 8.373 -4.518 -4.518 343 1HB SER 46 HB2 SER 46 8.334 -6.458 -6.458 344 2HB SER 46 HB1 SER 46 6.731 -5.911 -5.911 345 HG SER 46 HG SER 46 6.402 -7.709 -7.709 346 H TYR 47 HN TYR 47 9.233 -6.114 -6.114 347 HA TYR 47 HA TYR 47 11.510 -7.678 -7.678 348 1HB TYR 47 HB2 TYR 47 11.862 -8.072 -8.072 349 2HB TYR 47 HB1 TYR 47 10.097 -7.968 -7.968 350 HD1 TYR 47 HD1 TYR 47 12.993 -5.934 -5.934 351 HD2 TYR 47 HD2 TYR 47 8.736 -6.482 -6.482 352 HE1 TYR 47 HE1 TYR 47 12.712 -4.110 -4.110 353 HE2 TYR 47 HE2 TYR 47 8.450 -4.674 -4.674 354 HH TYR 47 HH TYR 47 10.316 -2.432 -2.432 355 H GLY 48 HN GLY 48 10.934 -4.344 -4.344 356 1HA GLY 48 HA2 GLY 48 12.785 -2.842 -2.842 357 2HA GLY 48 HA1 GLY 48 13.880 -3.758 -3.758 358 H ARG 49 HN ARG 49 10.728 -2.091 -2.091 359 HA ARG 49 HA ARG 49 11.079 -1.508 -1.508 360 1HB ARG 49 HB2 ARG 49 8.933 -1.924 -1.924 361 2HB ARG 49 HB1 ARG 49 9.176 -0.496 -0.496 362 1HG ARG 49 HG2 ARG 49 9.547 0.479 0.479 363 2HG ARG 49 HG1 ARG 49 8.262 -0.716 -0.716 364 1HD ARG 49 HD2 ARG 49 8.267 1.641 1.641 365 2HD ARG 49 HD1 ARG 49 7.218 1.414 1.414 366 HE ARG 49 HE ARG 49 6.928 -0.933 -0.933 367 1HH1 ARG 49 HH11 ARG 49 5.564 2.136 2.136 368 2HH1 ARG 49 HH12 ARG 49 4.751 2.081 2.081 369 1HH2 ARG 49 HH21 ARG 49 6.281 -0.866 -0.866 370 2HH2 ARG 49 HH22 ARG 49 5.158 0.382 0.382 371 H LYS 50 HN LYS 50 12.077 0.229 0.229 372 HA LYS 50 HA LYS 50 13.170 2.353 2.353 373 1HB LYS 50 HB2 LYS 50 14.212 3.058 3.058 374 2HB LYS 50 HB1 LYS 50 14.564 1.390 1.390 375 1HG LYS 50 HG2 LYS 50 12.091 1.583 1.583 376 2HG LYS 50 HG1 LYS 50 13.469 2.352 2.352 377 1HD LYS 50 HD2 LYS 50 14.754 0.238 0.238 378 2HD LYS 50 HD1 LYS 50 13.359 -0.477 -0.477 379 1HE LYS 50 HE2 LYS 50 13.248 -1.222 -1.222 380 2HE LYS 50 HE1 LYS 50 11.981 0.004 0.004 381 1HZ LYS 50 HZ2 LYS 50 14.760 0.662 0.662 382 2HZ LYS 50 HZ1 LYS 50 13.558 0.249 0.249 383 3HZ LYS 50 HZ3 LYS 50 13.368 1.626 1.626 384 H LYS 51 HN LYS 51 10.609 1.836 1.836 385 HA LYS 51 HA LYS 51 8.891 3.911 3.911 386 1HB LYS 51 HB2 LYS 51 9.390 5.601 5.601 387 2HB LYS 51 HB1 LYS 51 10.601 5.549 5.549 388 1HG LYS 51 HG2 LYS 51 11.325 3.568 3.568 389 2HG LYS 51 HG1 LYS 51 10.823 5.050 5.050 390 1HD LYS 51 HD2 LYS 51 12.793 5.162 5.162 391 2HD LYS 51 HD1 LYS 51 13.270 4.928 4.928 392 1HE LYS 51 HE2 LYS 51 11.907 7.030 7.030 393 2HE LYS 51 HE1 LYS 51 11.777 7.288 7.288 394 1HZ LYS 51 HZ3 LYS 51 14.194 7.126 7.126 395 2HZ LYS 51 HZ2 LYS 51 14.314 6.913 6.913 396 3HZ LYS 51 HZ1 LYS 51 13.751 8.384 8.384 397 H ARG 52 HN ARG 52 8.485 4.602 4.602 398 HA ARG 52 HA ARG 52 7.235 1.973 1.973 399 1HB ARG 52 HB2 ARG 52 6.339 4.630 4.630 400 2HB ARG 52 HB1 ARG 52 5.410 3.166 3.166 401 1HG ARG 52 HG2 ARG 52 4.574 4.203 4.203 402 2HG ARG 52 HG1 ARG 52 6.032 3.627 3.627 403 1HD ARG 52 HD2 ARG 52 5.612 6.079 6.079 404 2HD ARG 52 HD1 ARG 52 7.152 5.809 5.809 405 HE ARG 52 HE ARG 52 6.134 6.477 6.477 406 1HH1 ARG 52 HH11 ARG 52 3.530 5.899 5.899 407 2HH1 ARG 52 HH12 ARG 52 2.642 7.316 7.316 408 1HH2 ARG 52 HH21 ARG 52 5.209 8.672 8.672 409 2HH2 ARG 52 HH22 ARG 52 3.590 8.884 8.884 410 H ARG 53 HN ARG 53 9.707 4.133 4.133 411 HA ARG 53 HA ARG 53 11.087 4.422 4.422 412 1HB ARG 53 HB2 ARG 53 10.975 1.954 1.954 413 2HB ARG 53 HB1 ARG 53 9.748 1.833 1.833 414 1HG ARG 53 HG2 ARG 53 11.892 1.404 1.404 415 2HG ARG 53 HG1 ARG 53 11.421 3.016 3.016 416 1HD ARG 53 HD2 ARG 53 12.820 3.947 3.947 417 2HD ARG 53 HD1 ARG 53 13.404 2.295 2.295 418 HE ARG 53 HE ARG 53 14.614 2.467 2.467 419 1HH1 ARG 53 HH21 ARG 53 12.768 3.134 3.134 420 2HH1 ARG 53 HH22 ARG 53 13.065 4.801 4.801 421 1HH2 ARG 53 HH11 ARG 53 14.791 5.419 5.419 422 2HH2 ARG 53 HH12 ARG 53 14.214 6.098 6.098 423 H GLN 54 HN GLN 54 8.195 5.389 5.389 424 HA GLN 54 HA GLN 54 6.802 6.675 6.675 425 1HB GLN 54 HB2 GLN 54 9.273 6.336 6.336 426 2HB GLN 54 HB1 GLN 54 7.767 7.021 7.021 427 1HG GLN 54 HG2 GLN 54 9.600 7.854 7.854 428 2HG GLN 54 HG1 GLN 54 9.253 8.794 8.794 429 1HE2 GLN 54 HE22 GLN 54 6.841 9.245 9.245 430 2HE2 GLN 54 HE21 GLN 54 8.291 8.349 8.349 431 H ARG 55 HN ARG 55 7.690 3.450 3.450 432 HA ARG 55 HA ARG 55 6.661 1.920 1.920 433 1HB ARG 55 HB2 ARG 55 4.239 3.550 3.550 434 2HB ARG 55 HB1 ARG 55 4.305 1.857 1.857 435 1HG ARG 55 HG2 ARG 55 5.665 1.306 1.306 436 2HG ARG 55 HG1 ARG 55 5.572 2.984 2.984 437 1HD ARG 55 HD2 ARG 55 3.233 1.146 1.146 438 2HD ARG 55 HD1 ARG 55 3.867 1.614 1.614 439 HE ARG 55 HE ARG 55 2.166 3.241 3.241 440 1HH1 ARG 55 HH21 ARG 55 3.807 5.300 5.300 441 2HH1 ARG 55 HH22 ARG 55 4.075 6.121 6.121 442 1HH2 ARG 55 HH11 ARG 55 2.985 3.466 3.466 443 2HH2 ARG 55 HH12 ARG 55 3.608 5.081 5.081 444 H ARG 56 HN ARG 56 7.714 4.350 4.350 445 HA ARG 56 HA ARG 56 7.697 5.454 5.454 446 1HB ARG 56 HB2 ARG 56 5.868 3.064 3.064 447 2HB ARG 56 HB1 ARG 56 5.995 4.320 4.320 448 1HG ARG 56 HG2 ARG 56 7.632 2.434 2.434 449 2HG ARG 56 HG1 ARG 56 8.321 4.071 4.071 450 1HD ARG 56 HD2 ARG 56 8.850 3.737 3.737 451 2HD ARG 56 HD1 ARG 56 8.146 2.143 2.143 452 HE ARG 56 HE ARG 56 9.922 1.621 1.621 453 1HH1 ARG 56 HH11 ARG 56 10.521 4.758 4.758 454 2HH1 ARG 56 HH12 ARG 56 12.124 4.668 4.668 455 1HH2 ARG 56 HH21 ARG 56 11.899 1.291 1.291 456 2HH2 ARG 56 HH22 ARG 56 12.905 2.703 2.703 457 H ARG 57 HN ARG 57 6.710 7.097 7.097 458 HA ARG 57 HA ARG 57 3.922 7.672 7.672 459 1HB ARG 57 HB2 ARG 57 5.812 8.508 8.508 460 2HB ARG 57 HB1 ARG 57 6.210 9.656 9.656 461 1HG ARG 57 HG2 ARG 57 4.777 10.904 10.904 462 2HG ARG 57 HG1 ARG 57 3.687 10.299 10.299 463 1HD ARG 57 HD2 ARG 57 2.413 9.393 9.393 464 2HD ARG 57 HD1 ARG 57 3.729 8.258 8.258 465 HE ARG 57 HE ARG 57 4.508 9.731 9.731 466 1HH1 ARG 57 HH11 ARG 57 4.095 12.397 12.397 467 2HH1 ARG 57 HH12 ARG 57 2.728 13.004 13.004 468 1HH2 ARG 57 HH21 ARG 57 1.741 9.878 9.878 469 2HH2 ARG 57 HH22 ARG 57 1.393 11.575 11.575 470 HA PRO 58 HA PRO 58 4.821 10.798 10.798 471 1HB PRO 58 HB2 PRO 58 6.954 10.209 10.209 472 2HB PRO 58 HB1 PRO 58 7.070 11.278 11.278 473 1HG PRO 58 HG2 PRO 58 7.784 8.384 8.384 474 2HG PRO 58 HG1 PRO 58 8.668 9.699 9.699 475 1HD PRO 58 HD2 PRO 58 7.245 7.914 7.914 476 2HD PRO 58 HD1 PRO 58 7.398 9.564 9.564 477 H SER 59 HN SER 59 5.159 7.335 7.335 478 HA SER 59 HA SER 59 4.249 7.182 7.182 479 1HB SER 59 HB2 SER 59 5.921 5.630 5.630 480 2HB SER 59 HB1 SER 59 4.625 5.024 5.024 481 HG SER 59 HG SER 59 5.219 4.160 4.160 482 H GLN 60 HN GLN 60 2.093 7.632 7.632 483 HA GLN 60 HA GLN 60 0.085 6.138 6.138 484 1HB GLN 60 HB2 GLN 60 0.538 9.098 9.098 485 2HB GLN 60 HB1 GLN 60 -1.129 8.505 8.505 486 1HG GLN 60 HG2 GLN 60 -0.744 7.158 7.158 487 2HG GLN 60 HG1 GLN 60 0.971 7.569 7.569 488 1HE2 GLN 60 HE22 GLN 60 0.546 10.476 10.476 489 2HE2 GLN 60 HE21 GLN 60 1.523 9.148 9.148 490 H GLY 61 HN GLY 61 1.169 6.475 6.475 491 1HA GLY 61 HA2 GLY 61 -1.024 7.492 7.492 492 2HA GLY 61 HA1 GLY 61 0.264 6.439 6.439 493 H GLY 62 HN GLY 62 -2.974 6.629 6.629 494 1HA GLY 62 HA2 GLY 62 -4.695 5.046 5.046 495 2HA GLY 62 HA1 GLY 62 -3.857 4.181 4.181 496 H GLN 63 HN GLN 63 -2.331 4.906 4.906 497 HA GLN 63 HA GLN 63 -1.701 2.100 2.100 498 1HB GLN 63 HB2 GLN 63 -1.265 4.708 4.708 499 2HB GLN 63 HB1 GLN 63 -0.759 3.177 3.177 500 1HG GLN 63 HG2 GLN 63 0.004 4.382 4.382 501 2HG GLN 63 HG1 GLN 63 1.051 4.326 4.326 502 1HE2 GLN 63 HE22 GLN 63 0.912 0.486 0.486 503 2HE2 GLN 63 HE21 GLN 63 0.222 1.502 1.502 504 H THR 64 HN THR 64 -4.014 4.418 4.418 505 HA THR 64 HA THR 64 -5.633 4.107 4.107 506 HB THR 64 HB THR 64 -5.480 1.282 1.282 507 HG1 THR 64 HG1 THR 64 -6.089 2.183 2.183 508 1HG2 THR 64 HG22 THR 64 -6.843 1.938 1.938 509 2HG2 THR 64 HG21 THR 64 -7.939 2.705 2.705 510 3HG2 THR 64 HG23 THR 64 -7.631 0.972 0.972 511 H HIS 65 HN HIS 65 -3.028 4.063 4.063 512 HA HIS 65 HA HIS 65 -2.281 1.711 1.711 513 1HB HIS 65 HB2 HIS 65 -1.597 4.579 4.579 514 2HB HIS 65 HB1 HIS 65 -1.091 3.774 3.774 515 HD1 HIS 65 HD1 HIS 65 0.622 5.047 5.047 516 HD2 HIS 65 HD2 HIS 65 -0.347 0.997 0.997 517 HE1 HIS 65 HE1 HIS 65 2.249 3.811 3.811 518 H GLN 66 HN GLN 66 -2.019 2.146 2.146 519 HA GLN 66 HA GLN 66 -4.743 2.859 2.859 520 1HB GLN 66 HB2 GLN 66 -2.761 0.745 0.745 521 2HB GLN 66 HB1 GLN 66 -4.073 1.113 1.113 522 1HG GLN 66 HG2 GLN 66 -5.418 -0.230 -0.230 523 2HG GLN 66 HG1 GLN 66 -5.320 0.906 0.906 524 1HE2 GLN 66 HE22 GLN 66 -2.792 -1.041 -1.041 525 2HE2 GLN 66 HE21 GLN 66 -3.262 0.558 0.558 526 H ASP 67 HN ASP 67 -1.500 2.420 2.420 527 HA ASP 67 HA ASP 67 -2.037 4.398 4.398 528 1HB ASP 67 HB2 ASP 67 -0.725 2.270 2.270 529 2HB ASP 67 HB1 ASP 67 0.468 3.091 3.091 530 HA PRO 68 HA PRO 68 1.081 7.002 7.002 531 1HB PRO 68 HB2 PRO 68 1.582 6.392 6.392 532 2HB PRO 68 HB1 PRO 68 2.474 5.699 5.699 533 1HG PRO 68 HG2 PRO 68 0.482 4.468 4.468 534 2HG PRO 68 HG1 PRO 68 1.694 3.675 3.675 535 1HD PRO 68 HD2 PRO 68 -0.999 3.869 3.869 536 2HD PRO 68 HD1 PRO 68 0.332 3.216 3.216 537 H ILE 69 HN ILE 69 -1.898 5.956 5.956 538 HA ILE 69 HA ILE 69 -2.310 8.738 8.738 539 HB ILE 69 HB ILE 69 -1.670 6.886 6.886 540 1HG1 ILE 69 HG12 ILE 69 -3.463 8.896 8.896 541 2HG1 ILE 69 HG11 ILE 69 -2.690 8.071 8.071 542 1HG2 ILE 69 HG22 ILE 69 -4.421 5.892 5.892 543 2HG2 ILE 69 HG21 ILE 69 -3.478 5.289 5.289 544 3HG2 ILE 69 HG23 ILE 69 -2.889 5.072 5.072 545 1HD1 ILE 69 HD13 ILE 69 -4.505 6.415 6.415 546 2HD1 ILE 69 HD12 ILE 69 -5.365 7.305 7.305 547 3HD1 ILE 69 HD11 ILE 69 -5.118 8.032 8.032 548 HA PRO 70 HA PRO 70 -6.040 6.742 6.742 549 1HB PRO 70 HB2 PRO 70 -5.604 7.530 7.530 550 2HB PRO 70 HB1 PRO 70 -5.101 5.941 5.941 551 1HG PRO 70 HG2 PRO 70 -3.562 8.457 8.457 552 2HG PRO 70 HG1 PRO 70 -3.065 6.775 6.775 553 1HD PRO 70 HD2 PRO 70 -2.251 8.277 8.277 554 2HD PRO 70 HD1 PRO 70 -2.492 6.498 6.498 555 H LYS 71 HN LYS 71 -4.664 9.746 9.746 556 HA LYS 71 HA LYS 71 -6.723 11.299 11.299 557 1HB LYS 71 HB2 LYS 71 -5.389 13.219 13.219 558 2HB LYS 71 HB1 LYS 71 -4.396 12.029 12.029 559 1HG LYS 71 HG2 LYS 71 -4.313 11.193 11.193 560 2HG LYS 71 HG1 LYS 71 -4.212 12.967 12.967 561 1HD LYS 71 HD2 LYS 71 -2.101 12.046 12.046 562 2HD LYS 71 HD1 LYS 71 -2.363 12.925 12.925 563 1HE LYS 71 HE2 LYS 71 -2.905 10.659 10.659 564 2HE LYS 71 HE1 LYS 71 -2.465 9.898 9.898 565 1HZ LYS 71 HZ2 LYS 71 -0.710 11.731 11.731 566 2HZ LYS 71 HZ1 LYS 71 -0.571 10.039 10.039 567 3HZ LYS 71 HZ3 LYS 71 -0.297 10.923 10.923 568 H GLN 72 HN GLN 72 -5.844 10.398 10.398 569 HA GLN 72 HA GLN 72 -8.547 10.956 10.956 570 1HB GLN 72 HB2 GLN 72 -7.166 12.548 12.548 571 2HB GLN 72 HB1 GLN 72 -8.049 13.152 13.152 572 1HG GLN 72 HG2 GLN 72 -6.033 14.165 14.165 573 2HG GLN 72 HG1 GLN 72 -5.812 12.917 12.917 574 1HE2 GLN 72 HE22 GLN 72 -3.396 11.327 11.327 575 2HE2 GLN 72 HE21 GLN 72 -4.534 10.838 10.838 576 HA PRO 73 HA PRO 73 -7.183 7.949 7.949 577 1HB PRO 73 HB2 PRO 73 -8.513 8.689 8.689 578 2HB PRO 73 HB1 PRO 73 -9.339 7.858 7.858 579 1HG PRO 73 HG2 PRO 73 -9.189 10.810 10.810 580 2HG PRO 73 HG1 PRO 73 -10.643 9.844 9.844 581 1HD PRO 73 HD2 PRO 73 -9.335 11.362 11.362 582 2HD PRO 73 HD1 PRO 73 -9.949 9.771 9.771 583 H SER 74 HN SER 74 -7.438 11.283 11.283 584 HA SER 74 HA SER 74 -5.992 12.550 12.550 585 1HB SER 74 HB2 SER 74 -4.947 11.817 11.817 586 2HB SER 74 HB1 SER 74 -3.691 11.233 11.233 587 HG SER 74 HG SER 74 -4.375 13.831 13.831 588 H SER 75 HN SER 75 -6.733 10.191 10.191 589 HA SER 75 HA SER 75 -4.928 10.064 10.064 590 1HB SER 75 HB2 SER 75 -3.934 8.666 8.666 591 2HB SER 75 HB1 SER 75 -4.266 7.544 7.544 592 HG SER 75 HG SER 75 -2.993 8.791 8.791 593 H GLN 76 HN GLN 76 -6.972 7.996 7.996 594 HA GLN 76 HA GLN 76 -7.734 6.156 6.156 595 1HB GLN 76 HB2 GLN 76 -8.883 6.875 6.875 596 2HB GLN 76 HB1 GLN 76 -9.506 5.580 5.580 597 1HG GLN 76 HG2 GLN 76 -7.989 4.305 4.305 598 2HG GLN 76 HG1 GLN 76 -6.845 4.992 4.992 599 1HE2 GLN 76 HE22 GLN 76 -5.128 6.891 6.891 600 2HE2 GLN 76 HE21 GLN 76 -5.238 6.430 6.430 601 HA PRO 77 HA PRO 77 -11.742 8.837 8.837 602 1HB PRO 77 HB2 PRO 77 -11.564 11.395 11.395 603 2HB PRO 77 HB1 PRO 77 -12.101 9.960 9.960 604 1HG PRO 77 HG2 PRO 77 -9.474 11.302 11.302 605 2HG PRO 77 HG1 PRO 77 -10.385 10.698 10.698 606 1HD PRO 77 HD2 PRO 77 -8.323 9.393 9.393 607 2HD PRO 77 HD1 PRO 77 -9.743 8.540 8.540 608 H ARG 78 HN ARG 78 -8.521 9.872 9.872 609 HA ARG 78 HA ARG 78 -9.409 11.339 11.339 610 1HB ARG 78 HB2 ARG 78 -8.014 13.299 13.299 611 2HB ARG 78 HB1 ARG 78 -9.115 12.760 12.760 612 1HG ARG 78 HG2 ARG 78 -7.475 11.698 11.698 613 2HG ARG 78 HG1 ARG 78 -6.294 11.803 11.803 614 1HD ARG 78 HD2 ARG 78 -6.330 14.292 14.292 615 2HD ARG 78 HD1 ARG 78 -7.423 14.120 14.120 616 HE ARG 78 HE ARG 78 -5.108 12.387 12.387 617 1HH1 ARG 78 HH11 ARG 78 -6.685 14.641 14.641 618 2HH1 ARG 78 HH12 ARG 78 -5.301 15.518 15.518 619 1HH2 ARG 78 HH21 ARG 78 -3.093 13.939 13.939 620 2HH2 ARG 78 HH22 ARG 78 -3.262 15.119 15.119 621 H GLY 79 HN GLY 79 -8.105 8.693 8.693 622 1HA GLY 79 HA2 GLY 79 -5.761 9.195 9.195 623 2HA GLY 79 HA1 GLY 79 -5.422 8.426 8.426 624 H ASP 80 HN ASP 80 -5.444 6.242 6.242 625 HA ASP 80 HA ASP 80 -6.301 4.778 4.778 626 1HB ASP 80 HB2 ASP 80 -5.322 3.974 3.974 627 2HB ASP 80 HB1 ASP 80 -5.598 2.833 2.833 628 HA PRO 81 HA PRO 81 -10.454 3.974 3.974 629 1HB PRO 81 HB2 PRO 81 -10.944 1.707 1.707 630 2HB PRO 81 HB1 PRO 81 -10.851 3.326 3.326 631 1HG PRO 81 HG2 PRO 81 -8.785 1.174 1.174 632 2HG PRO 81 HG1 PRO 81 -9.219 2.271 2.271 633 1HD PRO 81 HD2 PRO 81 -7.040 2.629 2.629 634 2HD PRO 81 HD1 PRO 81 -7.896 3.968 3.968 635 H THR 82 HN THR 82 -9.666 3.448 3.448 636 HA THR 82 HA THR 82 -8.802 0.837 0.837 637 HB THR 82 HB THR 82 -9.972 1.815 1.815 638 HG1 THR 82 HG1 THR 82 -9.372 4.252 4.252 639 1HG2 THR 82 HG21 THR 82 -7.443 1.636 1.636 640 2HG2 THR 82 HG23 THR 82 -7.611 3.391 3.391 641 3HG2 THR 82 HG22 THR 82 -7.857 2.486 2.486 642 H GLY 83 HN GLY 83 -11.977 2.305 2.305 643 1HA GLY 83 HA2 GLY 83 -13.486 0.047 0.047 644 2HA GLY 83 HA1 GLY 83 -13.253 -0.039 -0.039 645 HA PRO 84 HA PRO 84 -16.562 2.970 2.970 646 1HB PRO 84 HB2 PRO 84 -17.059 2.651 2.651 647 2HB PRO 84 HB1 PRO 84 -17.511 1.455 1.455 648 1HG PRO 84 HG2 PRO 84 -15.473 1.278 1.278 649 2HG PRO 84 HG1 PRO 84 -16.081 0.015 0.015 650 1HD PRO 84 HD2 PRO 84 -13.740 1.758 1.758 651 2HD PRO 84 HD1 PRO 84 -13.855 0.188 0.188 652 H LYS 85 HN LYS 85 -13.463 3.524 3.524 653 HA LYS 85 HA LYS 85 -14.079 5.852 5.852 654 1HB LYS 85 HB2 LYS 85 -11.534 4.575 4.575 655 2HB LYS 85 HB1 LYS 85 -11.574 5.942 5.942 656 1HG LYS 85 HG2 LYS 85 -12.371 4.672 4.672 657 2HG LYS 85 HG1 LYS 85 -13.179 3.519 3.519 658 1HD LYS 85 HD2 LYS 85 -11.261 2.433 2.433 659 2HD LYS 85 HD1 LYS 85 -11.000 2.614 2.614 660 1HE LYS 85 HE2 LYS 85 -8.947 3.332 3.332 661 2HE LYS 85 HE1 LYS 85 -9.803 4.841 4.841 662 1HZ LYS 85 HZ1 LYS 85 -10.117 3.425 3.425 663 2HZ LYS 85 HZ3 LYS 85 -8.930 4.612 4.612 664 3HZ LYS 85 HZ2 LYS 85 -10.573 5.016 5.016 665 H GLU 86 HN GLU 86 -14.316 5.492 5.492 666 HA GLU 86 HA GLU 86 -12.706 7.710 7.710 667 1HB GLU 86 HB2 GLU 86 -14.986 6.045 6.045 668 2HB GLU 86 HB1 GLU 86 -14.108 7.244 7.244 669 1HG GLU 86 HG2 GLU 86 -12.009 6.005 6.005 670 2HG GLU 86 HG1 GLU 86 -13.124 4.757 4.757 Start of MODEL 7 1 1H LEU 1 HT3 LEU 1 15.246 -10.976 -10.976 2 2H LEU 1 HT2 LEU 1 13.741 -11.717 -11.717 3 3H LEU 1 HT1 LEU 1 14.482 -10.815 -10.815 4 HA LEU 1 HA LEU 1 12.694 -9.528 -9.528 5 1HB LEU 1 HB2 LEU 1 12.736 -9.076 -9.076 6 2HB LEU 1 HB1 LEU 1 12.838 -10.823 -10.823 7 HG LEU 1 HG LEU 1 15.505 -10.025 -10.025 8 1HD1 LEU 1 HD13 LEU 1 14.005 -8.044 -8.044 9 2HD1 LEU 1 HD12 LEU 1 15.200 -8.875 -8.875 10 3HD1 LEU 1 HD11 LEU 1 15.700 -8.059 -8.059 11 1HD2 LEU 1 HD21 LEU 1 13.662 -11.346 -11.346 12 2HD2 LEU 1 HD23 LEU 1 15.079 -11.986 -11.986 13 3HD2 LEU 1 HD22 LEU 1 15.279 -10.917 -10.917 14 H ASP 2 HN ASP 2 12.956 -7.206 -7.206 15 HA ASP 2 HA ASP 2 13.979 -5.141 -5.141 16 1HB ASP 2 HB2 ASP 2 14.975 -6.111 -6.111 17 2HB ASP 2 HB1 ASP 2 16.392 -6.465 -6.465 18 HA PRO 3 HA PRO 3 16.527 -6.772 -6.772 19 1HB PRO 3 HB2 PRO 3 14.638 -6.846 -6.846 20 2HB PRO 3 HB1 PRO 3 14.953 -8.203 -8.203 21 1HG PRO 3 HG2 PRO 3 12.670 -6.362 -6.362 22 2HG PRO 3 HG1 PRO 3 12.796 -7.995 -7.995 23 1HD PRO 3 HD2 PRO 3 13.005 -5.482 -5.482 24 2HD PRO 3 HD1 PRO 3 12.985 -7.122 -7.122 25 H VAL 4 HN VAL 4 13.917 -4.939 -4.939 26 HA VAL 4 HA VAL 4 15.679 -2.737 -2.737 27 HB VAL 4 HB VAL 4 12.708 -3.389 -3.389 28 1HG1 VAL 4 HG12 VAL 4 13.375 -0.782 -0.782 29 2HG1 VAL 4 HG11 VAL 4 13.672 -1.082 -1.082 30 3HG1 VAL 4 HG13 VAL 4 12.081 -1.400 -1.400 31 1HG2 VAL 4 HG22 VAL 4 14.857 -3.093 -3.093 32 2HG2 VAL 4 HG21 VAL 4 14.128 -4.596 -4.596 33 3HG2 VAL 4 HG23 VAL 4 13.156 -3.425 -3.425 34 H ASP 5 HN ASP 5 12.841 -3.099 -3.099 35 HA ASP 5 HA ASP 5 13.936 -1.450 -1.450 36 1HB ASP 5 HB2 ASP 5 12.017 -0.459 -0.459 37 2HB ASP 5 HB1 ASP 5 11.495 -0.170 -0.170 38 HA PRO 6 HA PRO 6 10.264 -3.958 -3.958 39 1HB PRO 6 HB2 PRO 6 7.901 -3.928 -3.928 40 2HB PRO 6 HB1 PRO 6 8.393 -2.604 -2.604 41 1HG PRO 6 HG2 PRO 6 8.211 -2.652 -2.652 42 2HG PRO 6 HG1 PRO 6 8.360 -1.255 -1.255 43 1HD PRO 6 HD2 PRO 6 10.311 -2.691 -2.691 44 2HD PRO 6 HD1 PRO 6 10.372 -1.058 -1.058 45 H ASN 7 HN ASN 7 8.592 -5.974 -5.974 46 HA ASN 7 HA ASN 7 10.453 -7.637 -7.637 47 1HB ASN 7 HB2 ASN 7 7.618 -7.887 -7.887 48 2HB ASN 7 HB1 ASN 7 8.344 -9.154 -9.154 49 1HD2 ASN 7 HD22 ASN 7 9.689 -8.639 -8.639 50 2HD2 ASN 7 HD21 ASN 7 8.690 -7.454 -7.454 51 H ILE 8 HN ILE 8 7.183 -6.410 -6.410 52 HA ILE 8 HA ILE 8 8.010 -6.276 -6.276 53 HB ILE 8 HB ILE 8 5.977 -7.349 -7.349 54 1HG1 ILE 8 HG12 ILE 8 4.518 -6.203 -6.203 55 2HG1 ILE 8 HG11 ILE 8 4.133 -7.893 -7.893 56 1HG2 ILE 8 HG21 ILE 8 7.747 -8.664 -8.664 57 2HG2 ILE 8 HG23 ILE 8 6.127 -9.346 -9.346 58 3HG2 ILE 8 HG22 ILE 8 6.961 -9.314 -9.314 59 1HD1 ILE 8 HD11 ILE 8 5.862 -8.230 -8.230 60 2HD1 ILE 8 HD13 ILE 8 5.381 -6.571 -6.571 61 3HD1 ILE 8 HD12 ILE 8 4.167 -7.847 -7.847 62 H GLU 9 HN GLU 9 7.395 -4.360 -4.360 63 HA GLU 9 HA GLU 9 6.398 -2.248 -2.248 64 1HB GLU 9 HB2 GLU 9 6.412 -2.468 -2.468 65 2HB GLU 9 HB1 GLU 9 6.026 -1.025 -1.025 66 1HG GLU 9 HG2 GLU 9 8.111 -0.735 -0.735 67 2HG GLU 9 HG1 GLU 9 8.616 -2.410 -2.410 68 HA PRO 10 HA PRO 10 2.174 -4.024 -4.024 69 1HB PRO 10 HB2 PRO 10 1.637 -5.053 -5.053 70 2HB PRO 10 HB1 PRO 10 2.416 -5.950 -5.950 71 1HG PRO 10 HG2 PRO 10 3.456 -4.665 -4.665 72 2HG PRO 10 HG1 PRO 10 4.093 -6.185 -6.185 73 1HD PRO 10 HD2 PRO 10 5.176 -3.581 -3.581 74 2HD PRO 10 HD1 PRO 10 5.579 -4.915 -4.915 75 H TRP 11 HN TRP 11 2.935 -1.336 -1.336 76 HA TRP 11 HA TRP 11 1.106 -0.724 -0.724 77 1HB TRP 11 HB2 TRP 11 3.242 0.869 0.869 78 2HB TRP 11 HB1 TRP 11 2.216 1.509 1.509 79 HD1 TRP 11 HD1 TRP 11 4.966 -1.085 -1.085 80 HE1 TRP 11 HE1 TRP 11 5.966 -1.456 -1.456 81 HE3 TRP 11 HE3 TRP 11 1.754 1.740 1.740 82 HZ2 TRP 11 HZ2 TRP 11 5.453 -0.647 -0.647 83 HZ3 TRP 11 HZ3 TRP 11 2.033 1.919 1.919 84 HH2 TRP 11 HH2 TRP 11 3.867 0.734 0.734 85 H ASN 12 HN ASN 12 0.285 -1.500 -1.500 86 HA ASN 12 HA ASN 12 -1.464 0.850 0.850 87 1HB ASN 12 HB2 ASN 12 -0.902 0.489 0.489 88 2HB ASN 12 HB1 ASN 12 0.399 1.111 1.111 89 1HD2 ASN 12 HD22 ASN 12 2.394 -1.838 -1.838 90 2HD2 ASN 12 HD21 ASN 12 2.006 -0.509 -0.509 91 H HIS 13 HN HIS 13 -3.219 0.185 0.185 92 HA HIS 13 HA HIS 13 -3.957 -2.703 -2.703 93 1HB HIS 13 HB2 HIS 13 -5.240 -0.162 -0.162 94 2HB HIS 13 HB1 HIS 13 -6.344 -1.446 -1.446 95 HD1 HIS 13 HD1 HIS 13 -6.657 -0.797 -0.797 96 HD2 HIS 13 HD2 HIS 13 -3.782 -3.522 -3.522 97 HE1 HIS 13 HE1 HIS 13 -6.119 -2.278 -2.278 98 HA PRO 14 HA PRO 14 -5.263 -2.434 -2.434 99 1HB PRO 14 HB2 PRO 14 -7.300 -4.259 -4.259 100 2HB PRO 14 HB1 PRO 14 -5.718 -5.007 -5.007 101 1HG PRO 14 HG2 PRO 14 -7.638 -4.505 -4.505 102 2HG PRO 14 HG1 PRO 14 -6.289 -5.734 -5.734 103 1HD PRO 14 HD2 PRO 14 -6.487 -3.521 -3.521 104 2HD PRO 14 HD1 PRO 14 -4.925 -4.409 -4.409 105 H GLY 15 HN GLY 15 -7.524 -2.026 -2.026 106 1HA GLY 15 HA2 GLY 15 -9.308 -0.693 -0.693 107 2HA GLY 15 HA1 GLY 15 -9.050 0.059 0.059 108 H SER 16 HN SER 16 -9.414 -3.395 -3.395 109 HA SER 16 HA SER 16 -12.238 -3.503 -3.503 110 1HB SER 16 HB2 SER 16 -10.808 -3.292 -3.292 111 2HB SER 16 HB1 SER 16 -9.965 -4.787 -4.787 112 HG SER 16 HG SER 16 -11.987 -4.763 -4.763 113 H GLN 17 HN GLN 17 -9.903 -4.681 -4.681 114 HA GLN 17 HA GLN 17 -11.468 -7.108 -7.108 115 1HB GLN 17 HB2 GLN 17 -9.003 -8.274 -8.274 116 2HB GLN 17 HB1 GLN 17 -10.188 -8.172 -8.172 117 1HG GLN 17 HG2 GLN 17 -8.874 -5.942 -5.942 118 2HG GLN 17 HG1 GLN 17 -7.614 -7.039 -7.039 119 1HE2 GLN 17 HE22 GLN 17 -9.571 -7.943 -7.943 120 2HE2 GLN 17 HE21 GLN 17 -10.198 -6.724 -6.724 121 HA PRO 18 HA PRO 18 -8.671 -6.485 -6.485 122 1HB PRO 18 HB2 PRO 18 -7.008 -4.317 -4.317 123 2HB PRO 18 HB1 PRO 18 -6.486 -5.915 -5.915 124 1HG PRO 18 HG2 PRO 18 -7.358 -3.522 -3.522 125 2HG PRO 18 HG1 PRO 18 -6.006 -4.651 -4.651 126 1HD PRO 18 HD2 PRO 18 -8.268 -4.693 -4.693 127 2HD PRO 18 HD1 PRO 18 -7.362 -6.213 -6.213 128 H LYS 19 HN LYS 19 -9.991 -3.822 -3.822 129 HA LYS 19 HA LYS 19 -11.035 -2.517 -2.517 130 1HB LYS 19 HB2 LYS 19 -11.203 -1.384 -1.384 131 2HB LYS 19 HB1 LYS 19 -11.015 -0.508 -0.508 132 1HG LYS 19 HG2 LYS 19 -8.663 -1.361 -1.361 133 2HG LYS 19 HG1 LYS 19 -8.937 -2.184 -2.184 134 1HD LYS 19 HD2 LYS 19 -7.835 -0.182 -0.182 135 2HD LYS 19 HD1 LYS 19 -9.543 0.133 0.133 136 1HE LYS 19 HE2 LYS 19 -9.717 1.310 1.310 137 2HE LYS 19 HE1 LYS 19 -7.995 1.011 1.011 138 1HZ LYS 19 HZ2 LYS 19 -9.097 2.364 2.364 139 2HZ LYS 19 HZ1 LYS 19 -8.436 3.179 3.179 140 3HZ LYS 19 HZ3 LYS 19 -7.455 2.170 2.170 141 H THR 20 HN THR 20 -11.984 -4.860 -4.860 142 HA THR 20 HA THR 20 -14.844 -4.099 -4.099 143 HB THR 20 HB THR 20 -15.162 -4.058 -4.058 144 HG1 THR 20 HG1 THR 20 -14.904 -5.946 -5.946 145 1HG2 THR 20 HG23 THR 20 -13.204 -2.578 -2.578 146 2HG2 THR 20 HG22 THR 20 -12.134 -3.946 -3.946 147 3HG2 THR 20 HG21 THR 20 -13.201 -3.370 -3.370 148 H ALA 21 HN ALA 21 -12.586 -6.656 -6.656 149 HA ALA 21 HA ALA 21 -14.405 -8.825 -8.825 150 1HB ALA 21 HB3 ALA 21 -12.600 -8.678 -8.678 151 2HB ALA 21 HB2 ALA 21 -11.465 -9.066 -9.066 152 3HB ALA 21 HB1 ALA 21 -12.763 -10.191 -10.191 153 H CYS 22 HN CYS 22 -11.937 -6.919 -6.919 154 HA CYS 22 HA CYS 22 -12.031 -8.646 -8.646 155 1HB CYS 22 HB2 CYS 22 -9.971 -8.936 -8.936 156 2HB CYS 22 HB1 CYS 22 -9.719 -7.204 -7.204 157 HG CYS 22 HG CYS 22 -8.555 -8.000 -8.000 158 H ASN 23 HN ASN 23 -13.270 -5.969 -5.969 159 HA ASN 23 HA ASN 23 -12.007 -3.879 -3.879 160 1HB ASN 23 HB2 ASN 23 -13.636 -2.531 -2.531 161 2HB ASN 23 HB1 ASN 23 -13.508 -3.914 -3.914 162 1HD2 ASN 23 HD22 ASN 23 -16.667 -5.361 -5.361 163 2HD2 ASN 23 HD21 ASN 23 -15.086 -5.807 -5.807 164 H ARG 24 HN ARG 24 -12.759 -6.270 -6.270 165 HA ARG 24 HA ARG 24 -15.142 -5.963 -5.963 166 1HB ARG 24 HB2 ARG 24 -12.532 -7.264 -7.264 167 2HB ARG 24 HB1 ARG 24 -13.236 -7.049 -7.049 168 1HG ARG 24 HG2 ARG 24 -13.941 -9.202 -9.202 169 2HG ARG 24 HG1 ARG 24 -15.345 -8.135 -8.135 170 1HD ARG 24 HD2 ARG 24 -15.237 -9.149 -9.149 171 2HD ARG 24 HD1 ARG 24 -14.558 -7.487 -7.487 172 HE ARG 24 HE ARG 24 -12.408 -8.306 -8.306 173 1HH1 ARG 24 HH21 ARG 24 -12.065 -10.220 -10.220 174 2HH1 ARG 24 HH22 ARG 24 -12.052 -11.756 -11.756 175 1HH2 ARG 24 HH11 ARG 24 -13.487 -10.539 -10.539 176 2HH2 ARG 24 HH12 ARG 24 -12.860 -11.936 -11.936 177 H CYS 25 HN CYS 25 -11.873 -4.708 -4.708 178 HA CYS 25 HA CYS 25 -11.238 -2.644 -2.644 179 1HB CYS 25 HB2 CYS 25 -12.815 -1.105 -1.105 180 2HB CYS 25 HB1 CYS 25 -13.891 -2.146 -2.146 181 HG CYS 25 HG CYS 25 -15.143 -1.974 -1.974 182 H HIS 26 HN HIS 26 -11.261 -5.428 -5.428 183 HA HIS 26 HA HIS 26 -10.329 -4.801 -4.801 184 1HB HIS 26 HB2 HIS 26 -11.962 -6.619 -6.619 185 2HB HIS 26 HB1 HIS 26 -12.593 -4.985 -4.985 186 HD1 HIS 26 HD1 HIS 26 -12.935 -8.522 -8.522 187 HD2 HIS 26 HD2 HIS 26 -14.232 -4.760 -4.760 188 HE1 HIS 26 HE1 HIS 26 -14.782 -8.911 -8.911 189 H CYS 27 HN CYS 27 -11.391 -7.459 -7.459 190 HA CYS 27 HA CYS 27 -9.200 -9.205 -9.205 191 1HB CYS 27 HB2 CYS 27 -11.612 -9.376 -9.376 192 2HB CYS 27 HB1 CYS 27 -10.314 -10.527 -10.527 193 HG CYS 27 HG CYS 27 -11.750 -11.643 -11.643 194 H LYS 28 HN LYS 28 -9.848 -6.861 -6.861 195 HA LYS 28 HA LYS 28 -8.075 -7.682 -7.682 196 1HB LYS 28 HB2 LYS 28 -9.670 -5.969 -5.969 197 2HB LYS 28 HB1 LYS 28 -9.269 -5.243 -5.243 198 1HG LYS 28 HG2 LYS 28 -7.138 -4.399 -4.399 199 2HG LYS 28 HG1 LYS 28 -7.432 -5.328 -5.328 200 1HD LYS 28 HD2 LYS 28 -7.989 -3.018 -3.018 201 2HD LYS 28 HD1 LYS 28 -9.495 -3.933 -3.933 202 1HE LYS 28 HE2 LYS 28 -9.523 -3.247 -3.247 203 2HE LYS 28 HE1 LYS 28 -8.365 -1.999 -1.999 204 1HZ LYS 28 HZ2 LYS 28 -9.945 -1.454 -1.454 205 2HZ LYS 28 HZ1 LYS 28 -11.063 -2.541 -2.541 206 3HZ LYS 28 HZ3 LYS 28 -10.587 -1.165 -1.165 207 H LYS 29 HN LYS 29 -7.540 -5.012 -5.012 208 HA LYS 29 HA LYS 29 -4.635 -5.182 -5.182 209 1HB LYS 29 HB2 LYS 29 -4.688 -3.283 -3.283 210 2HB LYS 29 HB1 LYS 29 -5.816 -3.034 -3.034 211 1HG LYS 29 HG2 LYS 29 -7.101 -4.450 -4.450 212 2HG LYS 29 HG1 LYS 29 -6.348 -2.944 -2.944 213 1HD LYS 29 HD2 LYS 29 -7.565 -2.023 -2.023 214 2HD LYS 29 HD1 LYS 29 -8.539 -3.491 -3.491 215 1HE LYS 29 HE2 LYS 29 -9.430 -2.800 -2.800 216 2HE LYS 29 HE1 LYS 29 -8.087 -1.686 -1.686 217 1HZ LYS 29 HZ1 LYS 29 -9.888 -1.357 -1.357 218 2HZ LYS 29 HZ3 LYS 29 -10.223 -0.640 -0.640 219 3HZ LYS 29 HZ2 LYS 29 -8.808 -0.222 -0.222 220 H CYS 30 HN CYS 30 -7.058 -6.257 -6.257 221 HA CYS 30 HA CYS 30 -6.892 -7.843 -7.843 222 1HB CYS 30 HB2 CYS 30 -5.274 -8.617 -8.617 223 2HB CYS 30 HB1 CYS 30 -3.953 -8.182 -8.182 224 HG CYS 30 HG CYS 30 -4.489 -10.531 -10.531 225 H CYS 31 HN CYS 31 -6.253 -4.936 -4.936 226 HA CYS 31 HA CYS 31 -5.486 -3.443 -3.443 227 1HB CYS 31 HB2 CYS 31 -6.076 -6.016 -6.016 228 2HB CYS 31 HB1 CYS 31 -5.735 -4.496 -4.496 229 HG CYS 31 HG CYS 31 -8.245 -5.042 -5.042 230 H TYR 32 HN TYR 32 -3.260 -3.219 -3.219 231 HA TYR 32 HA TYR 32 -1.292 -4.032 -4.032 232 1HB TYR 32 HB2 TYR 32 0.173 -5.212 -5.212 233 2HB TYR 32 HB1 TYR 32 -1.378 -6.034 -6.034 234 HD1 TYR 32 HD1 TYR 32 -3.043 -4.456 -4.456 235 HD2 TYR 32 HD2 TYR 32 1.147 -5.360 -5.360 236 HE1 TYR 32 HE1 TYR 32 -3.108 -4.159 -4.159 237 HE2 TYR 32 HE2 TYR 32 1.087 -5.053 -5.053 238 HH TYR 32 HH TYR 32 -1.098 -5.283 -5.283 239 H HIS 33 HN HIS 33 -2.347 -1.545 -1.545 240 HA HIS 33 HA HIS 33 -1.646 0.640 0.640 241 1HB HIS 33 HB2 HIS 33 1.077 -0.777 -0.777 242 2HB HIS 33 HB1 HIS 33 0.814 0.968 0.968 243 HD1 HIS 33 HD1 HIS 33 0.025 2.177 2.177 244 HD2 HIS 33 HD2 HIS 33 0.362 -1.947 -1.947 245 HE1 HIS 33 HE1 HIS 33 -0.178 1.740 1.740 246 H CYS 34 HN CYS 34 -1.885 -1.700 -1.700 247 HA CYS 34 HA CYS 34 -1.830 -1.802 -1.802 248 1HB CYS 34 HB2 CYS 34 -2.240 1.008 1.008 249 2HB CYS 34 HB1 CYS 34 -1.757 0.808 0.808 250 HG CYS 34 HG CYS 34 -4.478 0.503 0.503 251 H GLN 35 HN GLN 35 0.541 -2.566 -2.566 252 HA GLN 35 HA GLN 35 2.723 -0.801 -0.801 253 1HB GLN 35 HB2 GLN 35 2.674 -3.698 -3.698 254 2HB GLN 35 HB1 GLN 35 4.106 -2.653 -2.653 255 1HG GLN 35 HG2 GLN 35 1.899 -2.268 -2.268 256 2HG GLN 35 HG1 GLN 35 3.546 -2.694 -2.694 257 1HE2 GLN 35 HE22 GLN 35 2.512 1.165 1.165 258 2HE2 GLN 35 HE21 GLN 35 1.385 -0.112 -0.112 259 H VAL 36 HN VAL 36 0.741 -3.334 -3.334 260 HA VAL 36 HA VAL 36 0.738 -4.288 -4.288 261 HB VAL 36 HB VAL 36 2.601 -1.921 -1.921 262 1HG1 VAL 36 HG13 VAL 36 1.512 -3.643 -3.643 263 2HG1 VAL 36 HG12 VAL 36 2.040 -1.975 -1.975 264 3HG1 VAL 36 HG11 VAL 36 3.187 -3.197 -3.197 265 1HG2 VAL 36 HG21 VAL 36 -0.334 -2.351 -2.351 266 2HG2 VAL 36 HG23 VAL 36 0.429 -1.172 -1.172 267 3HG2 VAL 36 HG22 VAL 36 0.578 -1.004 -1.004 268 H CYS 37 HN CYS 37 2.375 -5.322 -5.322 269 HA CYS 37 HA CYS 37 4.380 -6.798 -6.798 270 1HB CYS 37 HB2 CYS 37 3.201 -6.916 -6.916 271 2HB CYS 37 HB1 CYS 37 4.637 -7.857 -7.857 272 HG CYS 37 HG CYS 37 3.073 -9.486 -9.486 273 H PHE 38 HN PHE 38 5.647 -4.699 -4.699 274 HA PHE 38 HA PHE 38 7.050 -3.630 -3.630 275 1HB PHE 38 HB2 PHE 38 7.940 -1.971 -1.971 276 2HB PHE 38 HB1 PHE 38 6.154 -2.244 -2.244 277 HD1 PHE 38 HD1 PHE 38 5.148 -3.388 -3.388 278 HD2 PHE 38 HD2 PHE 38 9.354 -2.574 -2.574 279 HE1 PHE 38 HE1 PHE 38 5.300 -3.794 -3.794 280 HE2 PHE 38 HE2 PHE 38 9.506 -2.992 -2.992 281 HZ PHE 38 HZ PHE 38 7.473 -3.594 -3.594 282 H ILE 39 HN ILE 39 9.526 -3.102 -3.102 283 HA ILE 39 HA ILE 39 11.181 -5.113 -5.113 284 HB ILE 39 HB ILE 39 12.923 -4.082 -4.082 285 1HG1 ILE 39 HG12 ILE 39 11.386 -2.304 -2.304 286 2HG1 ILE 39 HG11 ILE 39 10.937 -3.900 -3.900 287 1HG2 ILE 39 HG21 ILE 39 11.213 -2.672 -2.672 288 2HG2 ILE 39 HG23 ILE 39 11.220 -1.690 -1.690 289 3HG2 ILE 39 HG22 ILE 39 12.735 -2.046 -2.046 290 1HD1 ILE 39 HD12 ILE 39 13.610 -4.295 -4.295 291 2HD1 ILE 39 HD11 ILE 39 13.606 -2.566 -2.566 292 3HD1 ILE 39 HD13 ILE 39 12.844 -3.699 -3.699 293 H THR 40 HN THR 40 9.523 -5.140 -5.140 294 HA THR 40 HA THR 40 10.876 -7.751 -7.751 295 HB THR 40 HB THR 40 9.423 -5.837 -5.837 296 HG1 THR 40 HG1 THR 40 11.239 -4.801 -4.801 297 1HG2 THR 40 HG22 THR 40 9.666 -8.243 -8.243 298 2HG2 THR 40 HG21 THR 40 11.413 -8.030 -8.030 299 3HG2 THR 40 HG23 THR 40 10.464 -7.083 -7.083 300 H LYS 41 HN LYS 41 9.580 -9.558 -9.558 301 HA LYS 41 HA LYS 41 6.808 -9.357 -9.357 302 1HB LYS 41 HB2 LYS 41 8.631 -11.621 -11.621 303 2HB LYS 41 HB1 LYS 41 6.979 -11.875 -11.875 304 1HG LYS 41 HG2 LYS 41 8.815 -10.141 -10.141 305 2HG LYS 41 HG1 LYS 41 9.087 -11.871 -11.871 306 1HD LYS 41 HD2 LYS 41 7.545 -11.111 -11.111 307 2HD LYS 41 HD1 LYS 41 6.866 -12.342 -12.342 308 1HE LYS 41 HE2 LYS 41 5.171 -10.649 -10.649 309 2HE LYS 41 HE1 LYS 41 5.704 -10.437 -10.437 310 1HZ LYS 41 HZ3 LYS 41 7.436 -8.859 -8.859 311 2HZ LYS 41 HZ2 LYS 41 6.499 -8.911 -8.911 312 3HZ LYS 41 HZ1 LYS 41 5.834 -8.312 -8.312 313 H GLY 42 HN GLY 42 7.925 -8.733 -8.733 314 1HA GLY 42 HA2 GLY 42 5.851 -10.296 -10.296 315 2HA GLY 42 HA1 GLY 42 7.042 -9.328 -9.328 316 H LEU 43 HN LEU 43 5.544 -7.762 -7.762 317 HA LEU 43 HA LEU 43 3.785 -6.234 -6.234 318 1HB LEU 43 HB2 LEU 43 2.915 -8.407 -8.407 319 2HB LEU 43 HB1 LEU 43 2.047 -6.899 -6.899 320 HG LEU 43 HG LEU 43 1.421 -6.823 -6.823 321 1HD1 LEU 43 HD11 LEU 43 3.224 -9.126 -9.126 322 2HD1 LEU 43 HD13 LEU 43 2.088 -8.391 -8.391 323 3HD1 LEU 43 HD12 LEU 43 3.447 -7.454 -7.454 324 1HD2 LEU 43 HD21 LEU 43 1.422 -9.723 -9.723 325 2HD2 LEU 43 HD23 LEU 43 0.196 -8.523 -8.523 326 3HD2 LEU 43 HD22 LEU 43 0.311 -9.130 -9.130 327 H GLY 44 HN GLY 44 6.001 -5.383 -5.383 328 1HA GLY 44 HA2 GLY 44 6.659 -3.927 -3.927 329 2HA GLY 44 HA1 GLY 44 5.295 -2.953 -2.953 330 H ILE 45 HN ILE 45 5.071 -6.144 -6.144 331 HA ILE 45 HA ILE 45 3.203 -5.126 -5.126 332 HB ILE 45 HB ILE 45 3.404 -7.451 -7.451 333 1HG1 ILE 45 HG12 ILE 45 4.732 -8.914 -8.914 334 2HG1 ILE 45 HG11 ILE 45 5.696 -7.435 -7.435 335 1HG2 ILE 45 HG23 ILE 45 2.908 -6.936 -6.936 336 2HG2 ILE 45 HG22 ILE 45 2.684 -8.543 -8.543 337 3HG2 ILE 45 HG21 ILE 45 1.736 -7.185 -7.185 338 1HD1 ILE 45 HD11 ILE 45 5.242 -7.933 -7.933 339 2HD1 ILE 45 HD13 ILE 45 5.471 -9.546 -9.546 340 3HD1 ILE 45 HD12 ILE 45 6.730 -8.327 -8.327 341 H SER 46 HN SER 46 6.757 -5.604 -5.604 342 HA SER 46 HA SER 46 6.827 -4.080 -4.080 343 1HB SER 46 HB2 SER 46 6.008 -6.549 -6.549 344 2HB SER 46 HB1 SER 46 7.713 -6.923 -6.923 345 HG SER 46 HG SER 46 8.024 -6.094 -6.094 346 H TYR 47 HN TYR 47 8.654 -5.376 -5.376 347 HA TYR 47 HA TYR 47 11.207 -5.246 -5.246 348 1HB TYR 47 HB2 TYR 47 12.116 -5.662 -5.662 349 2HB TYR 47 HB1 TYR 47 11.161 -6.844 -6.844 350 HD1 TYR 47 HD1 TYR 47 10.792 -4.024 -4.024 351 HD2 TYR 47 HD2 TYR 47 9.248 -7.721 -7.721 352 HE1 TYR 47 HE1 TYR 47 9.151 -4.112 -4.112 353 HE2 TYR 47 HE2 TYR 47 7.600 -7.799 -7.799 354 HH TYR 47 HH TYR 47 7.642 -6.731 -6.731 355 H GLY 48 HN GLY 48 12.341 -3.902 -3.902 356 1HA GLY 48 HA2 GLY 48 12.979 -1.416 -1.416 357 2HA GLY 48 HA1 GLY 48 13.115 -1.788 -1.788 358 H ARG 49 HN ARG 49 10.583 -1.996 -1.996 359 HA ARG 49 HA ARG 49 8.745 -0.663 -0.663 360 1HB ARG 49 HB2 ARG 49 9.080 0.019 0.019 361 2HB ARG 49 HB1 ARG 49 7.635 0.528 0.528 362 1HG ARG 49 HG2 ARG 49 7.650 -2.128 -2.128 363 2HG ARG 49 HG1 ARG 49 8.549 -2.163 -2.163 364 1HD ARG 49 HD2 ARG 49 6.186 -2.398 -2.398 365 2HD ARG 49 HD1 ARG 49 6.695 -0.793 -0.793 366 HE ARG 49 HE ARG 49 5.799 -0.853 -0.853 367 1HH1 ARG 49 HH11 ARG 49 3.816 -1.640 -1.640 368 2HH1 ARG 49 HH12 ARG 49 2.905 -0.168 -0.168 369 1HH2 ARG 49 HH21 ARG 49 5.094 1.580 1.580 370 2HH2 ARG 49 HH22 ARG 49 3.627 1.656 1.656 371 H LYS 50 HN LYS 50 10.992 0.426 0.426 372 HA LYS 50 HA LYS 50 11.662 3.068 3.068 373 1HB LYS 50 HB2 LYS 50 12.854 3.143 3.143 374 2HB LYS 50 HB1 LYS 50 13.256 1.768 1.768 375 1HG LYS 50 HG2 LYS 50 11.019 0.936 0.936 376 2HG LYS 50 HG1 LYS 50 12.076 1.864 1.864 377 1HD LYS 50 HD2 LYS 50 12.967 -0.316 -0.316 378 2HD LYS 50 HD1 LYS 50 13.984 0.487 0.487 379 1HE LYS 50 HE2 LYS 50 13.401 -1.745 -1.745 380 2HE LYS 50 HE1 LYS 50 12.624 -0.565 -0.565 381 1HZ LYS 50 HZ1 LYS 50 11.074 -1.143 -1.143 382 2HZ LYS 50 HZ3 LYS 50 11.411 -2.563 -2.563 383 3HZ LYS 50 HZ2 LYS 50 10.606 -1.283 -1.283 384 H LYS 51 HN LYS 51 9.274 1.887 1.887 385 HA LYS 51 HA LYS 51 7.420 3.010 3.010 386 1HB LYS 51 HB2 LYS 51 8.484 5.562 5.562 387 2HB LYS 51 HB1 LYS 51 6.904 5.201 5.201 388 1HG LYS 51 HG2 LYS 51 7.648 3.093 3.093 389 2HG LYS 51 HG1 LYS 51 7.895 4.641 4.641 390 1HD LYS 51 HD2 LYS 51 5.630 4.231 4.231 391 2HD LYS 51 HD1 LYS 51 5.492 5.160 5.160 392 1HE LYS 51 HE2 LYS 51 5.599 2.900 2.900 393 2HE LYS 51 HE1 LYS 51 5.337 2.151 2.151 394 1HZ LYS 51 HZ1 LYS 51 3.646 4.331 4.331 395 2HZ LYS 51 HZ3 LYS 51 3.223 2.690 2.690 396 3HZ LYS 51 HZ2 LYS 51 3.345 3.480 3.480 397 H ARG 52 HN ARG 52 10.534 4.788 4.788 398 HA ARG 52 HA ARG 52 9.775 5.949 5.949 399 1HB ARG 52 HB2 ARG 52 12.521 5.865 5.865 400 2HB ARG 52 HB1 ARG 52 11.863 7.083 7.083 401 1HG ARG 52 HG2 ARG 52 11.305 6.600 6.600 402 2HG ARG 52 HG1 ARG 52 11.785 8.111 8.111 403 1HD ARG 52 HD2 ARG 52 9.011 6.787 6.787 404 2HD ARG 52 HD1 ARG 52 9.453 8.324 8.324 405 HE ARG 52 HE ARG 52 9.111 7.831 7.831 406 1HH1 ARG 52 HH21 ARG 52 11.466 8.966 8.966 407 2HH1 ARG 52 HH22 ARG 52 11.365 10.662 10.662 408 1HH2 ARG 52 HH11 ARG 52 8.626 10.354 10.354 409 2HH2 ARG 52 HH12 ARG 52 9.754 11.450 11.450 410 H ARG 53 HN ARG 53 10.561 2.869 2.869 411 HA ARG 53 HA ARG 53 12.670 2.076 2.076 412 1HB ARG 53 HB2 ARG 53 11.737 -0.104 -0.104 413 2HB ARG 53 HB1 ARG 53 11.618 0.725 0.725 414 1HG ARG 53 HG2 ARG 53 9.195 1.039 1.039 415 2HG ARG 53 HG1 ARG 53 9.490 -0.574 -0.574 416 1HD ARG 53 HD2 ARG 53 9.790 0.719 0.719 417 2HD ARG 53 HD1 ARG 53 8.921 2.011 2.011 418 HE ARG 53 HE ARG 53 7.481 -0.281 -0.281 419 1HH1 ARG 53 HH11 ARG 53 8.529 -0.575 -0.575 420 2HH1 ARG 53 HH12 ARG 53 7.102 -0.068 -0.068 421 1HH2 ARG 53 HH21 ARG 53 5.610 1.306 1.306 422 2HH2 ARG 53 HH22 ARG 53 5.444 0.991 0.991 423 H GLN 54 HN GLN 54 9.441 3.128 3.128 424 HA GLN 54 HA GLN 54 9.143 1.724 1.724 425 1HB GLN 54 HB2 GLN 54 7.822 4.356 4.356 426 2HB GLN 54 HB1 GLN 54 7.256 3.084 3.084 427 1HG GLN 54 HG2 GLN 54 6.799 1.520 1.520 428 2HG GLN 54 HG1 GLN 54 7.673 2.395 2.395 429 1HE2 GLN 54 HE22 GLN 54 4.835 4.101 4.101 430 2HE2 GLN 54 HE21 GLN 54 6.353 3.426 3.426 431 H ARG 55 HN ARG 55 10.511 4.836 4.836 432 HA ARG 55 HA ARG 55 11.858 6.386 6.386 433 1HB ARG 55 HB2 ARG 55 12.102 3.950 3.950 434 2HB ARG 55 HB1 ARG 55 12.918 5.467 5.467 435 1HG ARG 55 HG2 ARG 55 13.682 5.209 5.209 436 2HG ARG 55 HG1 ARG 55 13.254 3.522 3.522 437 1HD ARG 55 HD2 ARG 55 14.714 3.802 3.802 438 2HD ARG 55 HD1 ARG 55 15.418 5.167 5.167 439 HE ARG 55 HE ARG 55 15.215 2.866 2.866 440 1HH1 ARG 55 HH11 ARG 55 16.434 1.794 1.794 441 2HH1 ARG 55 HH12 ARG 55 18.125 1.982 1.982 442 1HH2 ARG 55 HH21 ARG 55 17.639 4.144 4.144 443 2HH2 ARG 55 HH22 ARG 55 18.809 3.316 3.316 444 H ARG 56 HN ARG 56 8.814 5.661 5.661 445 HA ARG 56 HA ARG 56 8.781 7.652 7.652 446 1HB ARG 56 HB2 ARG 56 7.157 5.106 5.106 447 2HB ARG 56 HB1 ARG 56 7.034 6.262 6.262 448 1HG ARG 56 HG2 ARG 56 8.925 5.566 5.566 449 2HG ARG 56 HG1 ARG 56 9.774 5.265 5.265 450 1HD ARG 56 HD2 ARG 56 8.467 3.259 3.259 451 2HD ARG 56 HD1 ARG 56 7.554 3.556 3.556 452 HE ARG 56 HE ARG 56 9.731 3.351 3.351 453 1HH1 ARG 56 HH11 ARG 56 9.026 1.227 1.227 454 2HH1 ARG 56 HH12 ARG 56 10.625 0.580 0.580 455 1HH2 ARG 56 HH21 ARG 56 12.052 2.904 2.904 456 2HH2 ARG 56 HH22 ARG 56 12.341 1.529 1.529 457 H ARG 57 HN ARG 57 8.347 8.073 8.073 458 HA ARG 57 HA ARG 57 5.667 7.989 7.989 459 1HB ARG 57 HB2 ARG 57 7.877 8.604 8.604 460 2HB ARG 57 HB1 ARG 57 7.594 10.252 10.252 461 1HG ARG 57 HG2 ARG 57 6.701 9.958 9.958 462 2HG ARG 57 HG1 ARG 57 5.356 10.178 10.178 463 1HD ARG 57 HD2 ARG 57 5.287 7.578 7.578 464 2HD ARG 57 HD1 ARG 57 6.350 7.622 7.622 465 HE ARG 57 HE ARG 57 3.899 9.313 9.313 466 1HH1 ARG 57 HH21 ARG 57 4.477 9.058 9.058 467 2HH1 ARG 57 HH22 ARG 57 3.872 7.536 7.536 468 1HH2 ARG 57 HH11 ARG 57 3.560 6.186 6.186 469 2HH2 ARG 57 HH12 ARG 57 3.351 5.905 5.905 470 HA PRO 58 HA PRO 58 5.022 12.272 12.272 471 1HB PRO 58 HB2 PRO 58 6.750 13.073 13.073 472 2HB PRO 58 HB1 PRO 58 6.994 13.430 13.430 473 1HG PRO 58 HG2 PRO 58 8.305 11.411 11.411 474 2HG PRO 58 HG1 PRO 58 8.948 12.312 12.312 475 1HD PRO 58 HD2 PRO 58 8.057 9.722 9.722 476 2HD PRO 58 HD1 PRO 58 8.421 10.553 10.553 477 H SER 59 HN SER 59 6.163 9.557 9.557 478 HA SER 59 HA SER 59 4.614 10.282 10.282 479 1HB SER 59 HB2 SER 59 6.743 8.935 8.935 480 2HB SER 59 HB1 SER 59 5.848 7.640 7.640 481 HG SER 59 HG SER 59 5.182 7.077 7.077 482 H GLN 60 HN GLN 60 2.397 10.160 10.160 483 HA GLN 60 HA GLN 60 1.146 7.750 7.750 484 1HB GLN 60 HB2 GLN 60 0.366 10.631 10.631 485 2HB GLN 60 HB1 GLN 60 -0.478 9.214 9.214 486 1HG GLN 60 HG2 GLN 60 1.272 8.416 8.416 487 2HG GLN 60 HG1 GLN 60 2.433 9.576 9.576 488 1HE2 GLN 60 HE22 GLN 60 0.559 12.373 12.373 489 2HE2 GLN 60 HE21 GLN 60 0.689 11.943 11.943 490 H GLY 61 HN GLY 61 1.577 8.887 8.887 491 1HA GLY 61 HA2 GLY 61 -1.062 9.674 9.674 492 2HA GLY 61 HA1 GLY 61 0.317 9.254 9.254 493 H GLY 62 HN GLY 62 -2.435 7.977 7.977 494 1HA GLY 62 HA2 GLY 62 -3.656 6.002 6.002 495 2HA GLY 62 HA1 GLY 62 -2.638 5.657 5.657 496 H GLN 63 HN GLN 63 -1.118 6.371 6.371 497 HA GLN 63 HA GLN 63 0.174 3.778 3.778 498 1HB GLN 63 HB2 GLN 63 0.104 6.292 6.292 499 2HB GLN 63 HB1 GLN 63 0.936 4.875 4.875 500 1HG GLN 63 HG2 GLN 63 1.229 6.235 6.235 501 2HG GLN 63 HG1 GLN 63 2.467 6.400 6.400 502 1HE2 GLN 63 HE22 GLN 63 3.069 2.635 2.635 503 2HE2 GLN 63 HE21 GLN 63 2.345 3.500 3.500 504 H THR 64 HN THR 64 -2.720 5.085 5.085 505 HA THR 64 HA THR 64 -4.063 4.271 4.271 506 HB THR 64 HB THR 64 -3.062 1.702 1.702 507 HG1 THR 64 HG1 THR 64 -5.236 3.374 3.374 508 1HG2 THR 64 HG22 THR 64 -5.083 2.360 2.360 509 2HG2 THR 64 HG21 THR 64 -5.731 1.418 1.418 510 3HG2 THR 64 HG23 THR 64 -4.372 0.798 0.798 511 H HIS 65 HN HIS 65 -1.624 5.031 5.031 512 HA HIS 65 HA HIS 65 -0.090 2.980 2.980 513 1HB HIS 65 HB2 HIS 65 -0.274 5.971 5.971 514 2HB HIS 65 HB1 HIS 65 0.538 5.022 5.022 515 HD1 HIS 65 HD1 HIS 65 2.018 6.806 6.806 516 HD2 HIS 65 HD2 HIS 65 1.612 2.660 2.660 517 HE1 HIS 65 HE1 HIS 65 3.793 5.870 5.870 518 H GLN 66 HN GLN 66 -3.157 4.156 4.156 519 HA GLN 66 HA GLN 66 -4.478 3.712 3.712 520 1HB GLN 66 HB2 GLN 66 -2.085 2.076 2.076 521 2HB GLN 66 HB1 GLN 66 -3.733 1.819 1.819 522 1HG GLN 66 HG2 GLN 66 -4.231 0.619 0.619 523 2HG GLN 66 HG1 GLN 66 -3.544 1.806 1.806 524 1HE2 GLN 66 HE22 GLN 66 -0.338 0.171 0.171 525 2HE2 GLN 66 HE21 GLN 66 -1.202 1.578 1.578 526 H ASP 67 HN ASP 67 -1.201 3.704 3.704 527 HA ASP 67 HA ASP 67 -2.133 5.147 5.147 528 1HB ASP 67 HB2 ASP 67 -0.436 3.535 3.535 529 2HB ASP 67 HB1 ASP 67 0.568 4.301 4.301 530 HA PRO 68 HA PRO 68 0.254 8.858 8.858 531 1HB PRO 68 HB2 PRO 68 1.229 8.796 8.796 532 2HB PRO 68 HB1 PRO 68 2.131 8.223 8.223 533 1HG PRO 68 HG2 PRO 68 0.553 6.772 6.772 534 2HG PRO 68 HG1 PRO 68 2.080 6.169 6.169 535 1HD PRO 68 HD2 PRO 68 -0.353 5.283 5.283 536 2HD PRO 68 HD1 PRO 68 1.086 5.257 5.257 537 H ILE 69 HN ILE 69 -1.831 7.091 7.091 538 HA ILE 69 HA ILE 69 -3.154 9.711 9.711 539 HB ILE 69 HB ILE 69 -3.325 9.061 9.061 540 1HG1 ILE 69 HG12 ILE 69 -2.246 6.437 6.437 541 2HG1 ILE 69 HG11 ILE 69 -3.745 6.441 6.441 542 1HG2 ILE 69 HG21 ILE 69 -0.973 9.518 9.518 543 2HG2 ILE 69 HG23 ILE 69 -0.731 7.773 7.773 544 3HG2 ILE 69 HG22 ILE 69 -1.086 8.547 8.547 545 1HD1 ILE 69 HD12 ILE 69 -4.825 7.758 7.758 546 2HD1 ILE 69 HD11 ILE 69 -3.482 7.229 7.229 547 3HD1 ILE 69 HD13 ILE 69 -4.553 6.037 6.037 548 HA PRO 70 HA PRO 70 -6.115 6.343 6.343 549 1HB PRO 70 HB2 PRO 70 -6.601 7.632 7.632 550 2HB PRO 70 HB1 PRO 70 -5.440 6.273 6.273 551 1HG PRO 70 HG2 PRO 70 -5.150 9.257 9.257 552 2HG PRO 70 HG1 PRO 70 -4.099 8.040 8.040 553 1HD PRO 70 HD2 PRO 70 -3.397 9.327 9.327 554 2HD PRO 70 HD1 PRO 70 -3.027 7.567 7.567 555 H LYS 71 HN LYS 71 -6.034 9.580 9.580 556 HA LYS 71 HA LYS 71 -8.686 10.408 10.408 557 1HB LYS 71 HB2 LYS 71 -8.177 12.277 12.277 558 2HB LYS 71 HB1 LYS 71 -6.948 12.055 12.055 559 1HG LYS 71 HG2 LYS 71 -6.224 10.392 10.392 560 2HG LYS 71 HG1 LYS 71 -6.749 11.963 11.963 561 1HD LYS 71 HD2 LYS 71 -4.389 11.665 11.665 562 2HD LYS 71 HD1 LYS 71 -5.079 13.131 13.131 563 1HE LYS 71 HE2 LYS 71 -5.227 11.870 11.870 564 2HE LYS 71 HE1 LYS 71 -4.435 10.505 10.505 565 1HZ LYS 71 HZ3 LYS 71 -3.372 13.284 13.284 566 2HZ LYS 71 HZ2 LYS 71 -2.851 11.985 11.985 567 3HZ LYS 71 HZ1 LYS 71 -2.587 11.960 11.960 568 H GLN 72 HN GLN 72 -7.327 8.850 8.850 569 HA GLN 72 HA GLN 72 -9.990 8.063 8.063 570 1HB GLN 72 HB2 GLN 72 -9.388 9.522 9.522 571 2HB GLN 72 HB1 GLN 72 -10.393 10.124 10.124 572 1HG GLN 72 HG2 GLN 72 -8.880 11.801 11.801 573 2HG GLN 72 HG1 GLN 72 -8.183 11.105 11.105 574 1HE2 GLN 72 HE22 GLN 72 -5.310 9.949 9.949 575 2HE2 GLN 72 HE21 GLN 72 -6.126 9.648 9.648 576 HA PRO 73 HA PRO 73 -7.717 5.209 5.209 577 1HB PRO 73 HB2 PRO 73 -8.889 5.351 5.351 578 2HB PRO 73 HB1 PRO 73 -9.679 4.553 4.553 579 1HG PRO 73 HG2 PRO 73 -10.020 7.358 7.358 580 2HG PRO 73 HG1 PRO 73 -11.300 6.172 6.172 581 1HD PRO 73 HD2 PRO 73 -10.635 8.112 8.112 582 2HD PRO 73 HD1 PRO 73 -10.916 6.473 6.473 583 H SER 74 HN SER 74 -8.412 8.276 8.276 584 HA SER 74 HA SER 74 -7.011 9.786 9.786 585 1HB SER 74 HB2 SER 74 -5.841 8.913 8.913 586 2HB SER 74 HB1 SER 74 -4.546 8.361 8.361 587 HG SER 74 HG SER 74 -3.929 10.361 10.361 588 H SER 75 HN SER 75 -6.843 9.671 9.671 589 HA SER 75 HA SER 75 -5.977 9.060 9.060 590 1HB SER 75 HB2 SER 75 -4.113 8.326 8.326 591 2HB SER 75 HB1 SER 75 -4.519 6.749 6.749 592 HG SER 75 HG SER 75 -3.551 7.294 7.294 593 H GLN 76 HN GLN 76 -7.396 6.642 6.642 594 HA GLN 76 HA GLN 76 -7.914 4.676 4.676 595 1HB GLN 76 HB2 GLN 76 -8.695 5.160 5.160 596 2HB GLN 76 HB1 GLN 76 -9.610 3.994 3.994 597 1HG GLN 76 HG2 GLN 76 -8.005 2.510 2.510 598 2HG GLN 76 HG1 GLN 76 -7.021 3.328 3.328 599 1HE2 GLN 76 HE22 GLN 76 -4.833 4.778 4.778 600 2HE2 GLN 76 HE21 GLN 76 -5.242 4.565 4.565 601 HA PRO 77 HA PRO 77 -12.270 6.678 6.678 602 1HB PRO 77 HB2 PRO 77 -12.468 9.187 9.187 603 2HB PRO 77 HB1 PRO 77 -12.738 7.638 7.638 604 1HG PRO 77 HG2 PRO 77 -10.432 9.506 9.506 605 2HG PRO 77 HG1 PRO 77 -11.040 8.528 8.528 606 1HD PRO 77 HD2 PRO 77 -8.873 8.006 8.006 607 2HD PRO 77 HD1 PRO 77 -9.683 6.786 6.786 608 H ARG 78 HN ARG 78 -9.348 8.294 8.294 609 HA ARG 78 HA ARG 78 -10.655 9.513 9.513 610 1HB ARG 78 HB2 ARG 78 -9.645 11.720 11.720 611 2HB ARG 78 HB1 ARG 78 -10.787 11.179 11.179 612 1HG ARG 78 HG2 ARG 78 -8.780 10.298 10.298 613 2HG ARG 78 HG1 ARG 78 -7.762 11.016 11.016 614 1HD ARG 78 HD2 ARG 78 -7.767 12.816 12.816 615 2HD ARG 78 HD1 ARG 78 -9.300 13.190 13.190 616 HE ARG 78 HE ARG 78 -9.930 11.360 11.360 617 1HH1 ARG 78 HH21 ARG 78 -8.012 12.491 12.491 618 2HH1 ARG 78 HH22 ARG 78 -8.771 13.920 13.920 619 1HH2 ARG 78 HH11 ARG 78 -11.146 14.074 14.074 620 2HH2 ARG 78 HH12 ARG 78 -10.551 14.818 14.818 621 H GLY 79 HN GLY 79 -8.700 7.318 7.318 622 1HA GLY 79 HA2 GLY 79 -6.607 8.344 8.344 623 2HA GLY 79 HA1 GLY 79 -6.046 7.721 7.721 624 H ASP 80 HN ASP 80 -5.875 5.523 5.523 625 HA ASP 80 HA ASP 80 -6.078 3.826 3.826 626 1HB ASP 80 HB2 ASP 80 -4.314 3.555 3.555 627 2HB ASP 80 HB1 ASP 80 -5.495 3.324 3.324 628 HA PRO 81 HA PRO 81 -10.291 2.602 2.602 629 1HB PRO 81 HB2 PRO 81 -10.360 0.494 0.494 630 2HB PRO 81 HB1 PRO 81 -10.403 2.186 2.186 631 1HG PRO 81 HG2 PRO 81 -8.099 0.292 0.292 632 2HG PRO 81 HG1 PRO 81 -8.541 1.482 1.482 633 1HD PRO 81 HD2 PRO 81 -6.587 1.888 1.888 634 2HD PRO 81 HD1 PRO 81 -7.533 3.212 3.212 635 H THR 82 HN THR 82 -9.741 1.887 1.887 636 HA THR 82 HA THR 82 -8.618 -0.720 -0.720 637 HB THR 82 HB THR 82 -9.560 -0.188 -0.188 638 HG1 THR 82 HG1 THR 82 -11.190 1.125 1.125 639 1HG2 THR 82 HG22 THR 82 -7.402 0.854 0.854 640 2HG2 THR 82 HG21 THR 82 -8.250 2.325 2.325 641 3HG2 THR 82 HG23 THR 82 -7.763 1.153 1.153 642 H GLY 83 HN GLY 83 -11.984 0.514 0.514 643 1HA GLY 83 HA2 GLY 83 -13.343 -1.547 -1.547 644 2HA GLY 83 HA1 GLY 83 -13.010 -2.158 -2.158 645 HA PRO 84 HA PRO 84 -16.520 0.284 0.284 646 1HB PRO 84 HB2 PRO 84 -16.529 -0.449 -0.449 647 2HB PRO 84 HB1 PRO 84 -17.000 -1.537 -1.537 648 1HG PRO 84 HG2 PRO 84 -14.611 -1.660 -1.660 649 2HG PRO 84 HG1 PRO 84 -15.193 -2.860 -2.860 650 1HD PRO 84 HD2 PRO 84 -13.258 -0.778 -0.778 651 2HD PRO 84 HD1 PRO 84 -13.304 -2.251 -2.251 652 H LYS 85 HN LYS 85 -13.361 1.127 1.127 653 HA LYS 85 HA LYS 85 -14.164 3.204 3.204 654 1HB LYS 85 HB2 LYS 85 -11.448 2.729 2.729 655 2HB LYS 85 HB1 LYS 85 -11.819 3.505 3.505 656 1HG LYS 85 HG2 LYS 85 -12.050 0.573 0.573 657 2HG LYS 85 HG1 LYS 85 -11.033 1.324 1.324 658 1HD LYS 85 HD2 LYS 85 -13.072 2.003 2.003 659 2HD LYS 85 HD1 LYS 85 -14.057 1.244 1.244 660 1HE LYS 85 HE2 LYS 85 -13.212 -0.903 -0.903 661 2HE LYS 85 HE1 LYS 85 -12.071 -0.297 -0.297 662 1HZ LYS 85 HZ3 LYS 85 -15.030 0.103 0.103 663 2HZ LYS 85 HZ2 LYS 85 -14.227 -1.120 -1.120 664 3HZ LYS 85 HZ1 LYS 85 -13.912 0.512 0.512 665 H GLU 86 HN GLU 86 -14.539 3.052 3.052 666 HA GLU 86 HA GLU 86 -13.270 5.507 5.507 667 1HB GLU 86 HB2 GLU 86 -15.452 3.699 3.699 668 2HB GLU 86 HB1 GLU 86 -14.721 5.007 5.007 669 1HG GLU 86 HG2 GLU 86 -12.509 3.870 3.870 670 2HG GLU 86 HG1 GLU 86 -13.429 2.542 2.542 Start of MODEL 8 1 1H LEU 1 HT3 LEU 1 14.815 -10.019 -10.019 2 2H LEU 1 HT2 LEU 1 15.365 -10.118 -10.118 3 3H LEU 1 HT1 LEU 1 14.052 -11.069 -11.069 4 HA LEU 1 HA LEU 1 12.682 -9.116 -9.116 5 1HB LEU 1 HB2 LEU 1 12.428 -8.648 -8.648 6 2HB LEU 1 HB1 LEU 1 12.941 -10.336 -10.336 7 HG LEU 1 HG LEU 1 15.312 -8.773 -8.773 8 1HD1 LEU 1 HD13 LEU 1 13.733 -7.020 -7.020 9 2HD1 LEU 1 HD12 LEU 1 13.526 -8.107 -8.107 10 3HD1 LEU 1 HD11 LEU 1 15.122 -7.459 -7.459 11 1HD2 LEU 1 HD21 LEU 1 14.620 -11.137 -11.137 12 2HD2 LEU 1 HD23 LEU 1 15.880 -10.209 -10.209 13 3HD2 LEU 1 HD22 LEU 1 14.246 -10.246 -10.246 14 H ASP 2 HN ASP 2 12.479 -6.769 -6.769 15 HA ASP 2 HA ASP 2 13.150 -4.563 -4.563 16 1HB ASP 2 HB2 ASP 2 14.197 -5.398 -5.398 17 2HB ASP 2 HB1 ASP 2 15.706 -5.259 -5.259 18 HA PRO 3 HA PRO 3 16.231 -5.804 -5.804 19 1HB PRO 3 HB2 PRO 3 14.552 -6.122 -6.122 20 2HB PRO 3 HB1 PRO 3 14.952 -7.430 -7.430 21 1HG PRO 3 HG2 PRO 3 12.451 -5.882 -5.882 22 2HG PRO 3 HG1 PRO 3 12.724 -7.510 -7.510 23 1HD PRO 3 HD2 PRO 3 12.458 -5.046 -5.046 24 2HD PRO 3 HD1 PRO 3 12.663 -6.664 -6.664 25 H VAL 4 HN VAL 4 13.554 -4.340 -4.340 26 HA VAL 4 HA VAL 4 15.070 -1.927 -1.927 27 HB VAL 4 HB VAL 4 12.236 -2.970 -2.970 28 1HG1 VAL 4 HG11 VAL 4 13.243 -0.239 -0.239 29 2HG1 VAL 4 HG13 VAL 4 11.821 -1.018 -1.018 30 3HG1 VAL 4 HG12 VAL 4 11.852 -0.605 -0.605 31 1HG2 VAL 4 HG23 VAL 4 14.623 -2.535 -2.535 32 2HG2 VAL 4 HG22 VAL 4 13.607 -3.965 -3.965 33 3HG2 VAL 4 HG21 VAL 4 13.003 -2.558 -2.558 34 H ASP 5 HN ASP 5 12.146 -2.659 -2.659 35 HA ASP 5 HA ASP 5 12.848 -0.906 -0.906 36 1HB ASP 5 HB2 ASP 5 10.833 -0.179 -0.179 37 2HB ASP 5 HB1 ASP 5 10.435 0.196 0.196 38 HA PRO 6 HA PRO 6 9.374 -3.832 -3.832 39 1HB PRO 6 HB2 PRO 6 7.219 -4.178 -4.178 40 2HB PRO 6 HB1 PRO 6 7.373 -2.767 -2.767 41 1HG PRO 6 HG2 PRO 6 7.579 -2.917 -2.917 42 2HG PRO 6 HG1 PRO 6 7.320 -1.493 -1.493 43 1HD PRO 6 HD2 PRO 6 9.731 -2.447 -2.447 44 2HD PRO 6 HD1 PRO 6 9.349 -0.937 -0.937 45 H ASN 7 HN ASN 7 8.241 -6.114 -6.114 46 HA ASN 7 HA ASN 7 10.402 -7.465 -7.465 47 1HB ASN 7 HB2 ASN 7 7.640 -8.226 -8.226 48 2HB ASN 7 HB1 ASN 7 8.677 -9.374 -9.374 49 1HD2 ASN 7 HD22 ASN 7 9.666 -8.278 -8.278 50 2HD2 ASN 7 HD21 ASN 7 8.457 -7.421 -7.421 51 H ILE 8 HN ILE 8 6.982 -6.794 -6.794 52 HA ILE 8 HA ILE 8 7.848 -6.861 -6.861 53 HB ILE 8 HB ILE 8 6.074 -8.285 -8.285 54 1HG1 ILE 8 HG12 ILE 8 4.196 -7.131 -7.131 55 2HG1 ILE 8 HG11 ILE 8 4.174 -8.820 -8.820 56 1HG2 ILE 8 HG21 ILE 8 7.806 -9.425 -9.425 57 2HG2 ILE 8 HG23 ILE 8 6.732 -9.230 -9.230 58 3HG2 ILE 8 HG22 ILE 8 6.233 -10.222 -10.222 59 1HD1 ILE 8 HD12 ILE 8 5.478 -8.156 -8.156 60 2HD1 ILE 8 HD11 ILE 8 5.012 -6.498 -6.498 61 3HD1 ILE 8 HD13 ILE 8 3.772 -7.713 -7.713 62 H GLU 9 HN GLU 9 6.987 -4.727 -4.727 63 HA GLU 9 HA GLU 9 5.702 -2.739 -2.739 64 1HB GLU 9 HB2 GLU 9 6.292 -3.243 -3.243 65 2HB GLU 9 HB1 GLU 9 5.462 -1.808 -1.808 66 1HG GLU 9 HG2 GLU 9 7.350 -1.293 -1.293 67 2HG GLU 9 HG1 GLU 9 8.224 -2.711 -2.711 68 HA PRO 10 HA PRO 10 1.775 -4.818 -4.818 69 1HB PRO 10 HB2 PRO 10 0.890 -5.551 -5.551 70 2HB PRO 10 HB1 PRO 10 2.071 -6.396 -6.396 71 1HG PRO 10 HG2 PRO 10 2.541 -4.924 -4.924 72 2HG PRO 10 HG1 PRO 10 3.481 -6.248 -6.248 73 1HD PRO 10 HD2 PRO 10 3.935 -3.413 -3.413 74 2HD PRO 10 HD1 PRO 10 4.931 -4.744 -4.744 75 H TRP 11 HN TRP 11 2.382 -1.899 -1.899 76 HA TRP 11 HA TRP 11 -0.236 -1.214 -1.214 77 1HB TRP 11 HB2 TRP 11 2.140 0.615 0.615 78 2HB TRP 11 HB1 TRP 11 0.725 0.860 0.860 79 HD1 TRP 11 HD1 TRP 11 3.694 -1.605 -1.605 80 HE1 TRP 11 HE1 TRP 11 4.348 -2.147 -2.147 81 HE3 TRP 11 HE3 TRP 11 0.162 1.112 1.112 82 HZ2 TRP 11 HZ2 TRP 11 3.489 -1.499 -1.499 83 HZ3 TRP 11 HZ3 TRP 11 0.114 1.128 1.128 84 HH2 TRP 11 HH2 TRP 11 1.766 -0.169 -0.169 85 H ASN 12 HN ASN 12 -0.305 -2.215 -2.215 86 HA ASN 12 HA ASN 12 -0.957 0.206 0.206 87 1HB ASN 12 HB2 ASN 12 0.123 -2.393 -2.393 88 2HB ASN 12 HB1 ASN 12 0.081 -0.807 -0.807 89 1HD2 ASN 12 HD22 ASN 12 3.067 -1.272 -1.272 90 2HD2 ASN 12 HD21 ASN 12 1.673 -2.235 -2.235 91 H HIS 13 HN HIS 13 -3.091 -0.575 -0.575 92 HA HIS 13 HA HIS 13 -4.381 -2.874 -2.874 93 1HB HIS 13 HB2 HIS 13 -5.003 -1.167 -1.167 94 2HB HIS 13 HB1 HIS 13 -6.128 -2.379 -2.379 95 HD1 HIS 13 HD1 HIS 13 -5.300 -3.036 -3.036 96 HD2 HIS 13 HD2 HIS 13 -2.801 -4.009 -4.009 97 HE1 HIS 13 HE1 HIS 13 -3.754 -4.858 -4.858 98 HA PRO 14 HA PRO 14 -7.071 -0.169 -0.169 99 1HB PRO 14 HB2 PRO 14 -9.429 -1.603 -1.603 100 2HB PRO 14 HB1 PRO 14 -8.144 -2.068 -2.068 101 1HG PRO 14 HG2 PRO 14 -9.067 -3.102 -3.102 102 2HG PRO 14 HG1 PRO 14 -8.267 -3.976 -3.976 103 1HD PRO 14 HD2 PRO 14 -7.070 -3.151 -3.151 104 2HD PRO 14 HD1 PRO 14 -6.188 -3.639 -3.639 105 H GLY 15 HN GLY 15 -7.994 -1.200 -1.200 106 1HA GLY 15 HA2 GLY 15 -9.034 -0.044 -0.044 107 2HA GLY 15 HA1 GLY 15 -9.272 1.364 1.364 108 H SER 16 HN SER 16 -10.164 -1.884 -1.884 109 HA SER 16 HA SER 16 -13.014 -1.589 -1.589 110 1HB SER 16 HB2 SER 16 -12.424 -0.330 -0.330 111 2HB SER 16 HB1 SER 16 -12.046 -1.902 -1.902 112 HG SER 16 HG SER 16 -14.378 -0.865 -0.865 113 H GLN 17 HN GLN 17 -10.420 -3.584 -3.584 114 HA GLN 17 HA GLN 17 -12.113 -5.993 -5.993 115 1HB GLN 17 HB2 GLN 17 -9.536 -5.291 -5.291 116 2HB GLN 17 HB1 GLN 17 -10.193 -6.979 -6.979 117 1HG GLN 17 HG2 GLN 17 -12.299 -6.098 -6.098 118 2HG GLN 17 HG1 GLN 17 -11.441 -4.590 -4.590 119 1HE2 GLN 17 HE22 GLN 17 -11.152 -6.758 -6.758 120 2HE2 GLN 17 HE21 GLN 17 -12.441 -6.036 -6.036 121 HA PRO 18 HA PRO 18 -8.416 -7.360 -7.360 122 1HB PRO 18 HB2 PRO 18 -6.290 -5.666 -5.666 123 2HB PRO 18 HB1 PRO 18 -6.400 -6.820 -6.820 124 1HG PRO 18 HG2 PRO 18 -7.034 -3.907 -3.907 125 2HG PRO 18 HG1 PRO 18 -6.144 -4.832 -4.832 126 1HD PRO 18 HD2 PRO 18 -8.669 -4.023 -4.023 127 2HD PRO 18 HD1 PRO 18 -8.072 -5.532 -5.532 128 H LYS 19 HN LYS 19 -9.876 -4.286 -4.286 129 HA LYS 19 HA LYS 19 -9.683 -4.209 -4.209 130 1HB LYS 19 HB2 LYS 19 -10.004 -1.838 -1.838 131 2HB LYS 19 HB1 LYS 19 -9.441 -1.851 -1.851 132 1HG LYS 19 HG2 LYS 19 -7.358 -3.079 -3.079 133 2HG LYS 19 HG1 LYS 19 -8.006 -2.925 -2.925 134 1HD LYS 19 HD2 LYS 19 -6.356 -1.157 -1.157 135 2HD LYS 19 HD1 LYS 19 -7.956 -0.434 -0.434 136 1HE LYS 19 HE2 LYS 19 -8.080 -0.508 -0.508 137 2HE LYS 19 HE1 LYS 19 -6.380 -1.019 -1.019 138 1HZ LYS 19 HZ2 LYS 19 -7.457 1.399 1.399 139 2HZ LYS 19 HZ1 LYS 19 -6.653 1.420 1.420 140 3HZ LYS 19 HZ3 LYS 19 -5.822 0.945 0.945 141 H THR 20 HN THR 20 -11.731 -4.779 -4.779 142 HA THR 20 HA THR 20 -14.112 -3.953 -3.953 143 HB THR 20 HB THR 20 -13.463 -3.184 -3.184 144 HG1 THR 20 HG1 THR 20 -12.805 -1.495 -1.495 145 1HG2 THR 20 HG21 THR 20 -16.000 -3.797 -3.797 146 2HG2 THR 20 HG23 THR 20 -15.908 -2.038 -2.038 147 3HG2 THR 20 HG22 THR 20 -15.660 -3.025 -3.025 148 H ALA 21 HN ALA 21 -12.869 -5.742 -5.742 149 HA ALA 21 HA ALA 21 -15.317 -7.218 -7.218 150 1HB ALA 21 HB3 ALA 21 -12.438 -7.755 -7.755 151 2HB ALA 21 HB2 ALA 21 -13.837 -8.564 -8.564 152 3HB ALA 21 HB1 ALA 21 -13.611 -6.832 -6.832 153 H CYS 22 HN CYS 22 -15.532 -7.766 -7.766 154 HA CYS 22 HA CYS 22 -15.278 -9.261 -9.261 155 1HB CYS 22 HB2 CYS 22 -16.333 -11.267 -11.267 156 2HB CYS 22 HB1 CYS 22 -16.504 -9.996 -9.996 157 HG CYS 22 HG CYS 22 -14.926 -12.592 -12.592 158 H ASN 23 HN ASN 23 -12.732 -8.338 -8.338 159 HA ASN 23 HA ASN 23 -10.846 -10.515 -10.515 160 1HB ASN 23 HB2 ASN 23 -9.271 -8.696 -8.696 161 2HB ASN 23 HB1 ASN 23 -10.796 -8.090 -8.090 162 1HD2 ASN 23 HD22 ASN 23 -11.471 -5.816 -5.816 163 2HD2 ASN 23 HD21 ASN 23 -12.088 -6.585 -6.585 164 H ARG 24 HN ARG 24 -8.913 -9.576 -9.576 165 HA ARG 24 HA ARG 24 -9.259 -11.268 -11.268 166 1HB ARG 24 HB2 ARG 24 -7.778 -8.684 -8.684 167 2HB ARG 24 HB1 ARG 24 -7.342 -9.853 -9.853 168 1HG ARG 24 HG2 ARG 24 -6.369 -11.265 -11.265 169 2HG ARG 24 HG1 ARG 24 -7.401 -10.811 -10.811 170 1HD ARG 24 HD2 ARG 24 -5.546 -8.845 -8.845 171 2HD ARG 24 HD1 ARG 24 -4.918 -9.957 -9.957 172 HE ARG 24 HE ARG 24 -7.049 -7.841 -7.841 173 1HH1 ARG 24 HH11 ARG 24 -7.703 -10.159 -10.159 174 2HH1 ARG 24 HH12 ARG 24 -6.897 -9.743 -9.743 175 1HH2 ARG 24 HH21 ARG 24 -4.864 -7.344 -7.344 176 2HH2 ARG 24 HH22 ARG 24 -5.285 -8.147 -8.147 177 H CYS 25 HN CYS 25 -9.109 -7.731 -7.731 178 HA CYS 25 HA CYS 25 -10.418 -6.272 -6.272 179 1HB CYS 25 HB2 CYS 25 -11.984 -7.803 -7.803 180 2HB CYS 25 HB1 CYS 25 -12.406 -8.422 -8.422 181 HG CYS 25 HG CYS 25 -14.020 -6.297 -6.297 182 H HIS 26 HN HIS 26 -8.507 -7.931 -7.931 183 HA HIS 26 HA HIS 26 -9.465 -7.801 -7.801 184 1HB HIS 26 HB2 HIS 26 -9.001 -10.375 -10.375 185 2HB HIS 26 HB1 HIS 26 -10.526 -9.782 -9.782 186 HD1 HIS 26 HD1 HIS 26 -10.551 -12.353 -12.353 187 HD2 HIS 26 HD2 HIS 26 -7.842 -9.675 -9.675 188 HE1 HIS 26 HE1 HIS 26 -9.815 -13.345 -13.345 189 H CYS 27 HN CYS 27 -7.057 -10.198 -10.198 190 HA CYS 27 HA CYS 27 -4.949 -9.251 -9.251 191 1HB CYS 27 HB2 CYS 27 -5.217 -11.444 -11.444 192 2HB CYS 27 HB1 CYS 27 -4.763 -10.551 -10.551 193 HG CYS 27 HG CYS 27 -2.454 -11.254 -11.254 194 H LYS 28 HN LYS 28 -6.073 -8.047 -8.047 195 HA LYS 28 HA LYS 28 -3.730 -6.685 -6.685 196 1HB LYS 28 HB2 LYS 28 -5.735 -7.178 -7.178 197 2HB LYS 28 HB1 LYS 28 -6.622 -6.121 -6.121 198 1HG LYS 28 HG2 LYS 28 -5.137 -4.214 -4.214 199 2HG LYS 28 HG1 LYS 28 -4.382 -5.331 -5.331 200 1HD LYS 28 HD2 LYS 28 -6.012 -4.179 -4.179 201 2HD LYS 28 HD1 LYS 28 -6.749 -5.737 -5.737 202 1HE LYS 28 HE2 LYS 28 -7.937 -4.682 -4.682 203 2HE LYS 28 HE1 LYS 28 -7.260 -3.115 -3.115 204 1HZ LYS 28 HZ2 LYS 28 -8.834 -4.919 -4.919 205 2HZ LYS 28 HZ1 LYS 28 -9.464 -3.547 -3.547 206 3HZ LYS 28 HZ3 LYS 28 -8.253 -3.371 -3.371 207 H LYS 29 HN LYS 29 -6.246 -5.716 -5.716 208 HA LYS 29 HA LYS 29 -4.572 -3.434 -3.434 209 1HB LYS 29 HB2 LYS 29 -6.225 -1.794 -1.794 210 2HB LYS 29 HB1 LYS 29 -6.210 -2.836 -2.836 211 1HG LYS 29 HG2 LYS 29 -8.201 -2.991 -2.991 212 2HG LYS 29 HG1 LYS 29 -8.473 -2.245 -2.245 213 1HD LYS 29 HD2 LYS 29 -7.959 -4.518 -4.518 214 2HD LYS 29 HD1 LYS 29 -7.971 -5.160 -5.160 215 1HE LYS 29 HE2 LYS 29 -10.160 -5.568 -5.568 216 2HE LYS 29 HE1 LYS 29 -10.294 -4.031 -4.031 217 1HZ LYS 29 HZ1 LYS 29 -9.782 -4.189 -4.189 218 2HZ LYS 29 HZ3 LYS 29 -11.343 -4.060 -4.060 219 3HZ LYS 29 HZ2 LYS 29 -10.213 -2.818 -2.818 220 H CYS 30 HN CYS 30 -5.617 -6.045 -6.045 221 HA CYS 30 HA CYS 30 -7.740 -5.739 -5.739 222 1HB CYS 30 HB2 CYS 30 -6.549 -7.637 -7.637 223 2HB CYS 30 HB1 CYS 30 -6.723 -7.792 -7.792 224 HG CYS 30 HG CYS 30 -4.229 -8.363 -8.363 225 H CYS 31 HN CYS 31 -4.251 -5.230 -5.230 226 HA CYS 31 HA CYS 31 -4.731 -2.889 -2.889 227 1HB CYS 31 HB2 CYS 31 -5.558 -5.352 -5.352 228 2HB CYS 31 HB1 CYS 31 -4.108 -4.878 -4.878 229 HG CYS 31 HG CYS 31 -6.399 -3.721 -3.721 230 H TYR 32 HN TYR 32 -2.747 -3.067 -3.067 231 HA TYR 32 HA TYR 32 -0.332 -3.193 -3.193 232 1HB TYR 32 HB2 TYR 32 0.758 -4.928 -4.928 233 2HB TYR 32 HB1 TYR 32 -0.786 -5.543 -5.543 234 HD1 TYR 32 HD1 TYR 32 -2.731 -4.518 -4.518 235 HD2 TYR 32 HD2 TYR 32 1.362 -5.678 -5.678 236 HE1 TYR 32 HE1 TYR 32 -3.210 -4.991 -4.991 237 HE2 TYR 32 HE2 TYR 32 0.881 -6.147 -6.147 238 HH TYR 32 HH TYR 32 -1.514 -6.817 -6.817 239 H HIS 33 HN HIS 33 -1.620 -1.023 -1.023 240 HA HIS 33 HA HIS 33 -1.202 0.890 0.890 241 1HB HIS 33 HB2 HIS 33 1.522 -0.471 -0.471 242 2HB HIS 33 HB1 HIS 33 1.167 1.216 1.216 243 HD1 HIS 33 HD1 HIS 33 1.038 2.899 2.899 244 HD2 HIS 33 HD2 HIS 33 1.229 -1.025 -1.025 245 HE1 HIS 33 HE1 HIS 33 1.362 3.045 3.045 246 H CYS 34 HN CYS 34 -1.756 -1.994 -1.994 247 HA CYS 34 HA CYS 34 -2.116 -2.831 -2.831 248 1HB CYS 34 HB2 CYS 34 -2.251 0.074 0.074 249 2HB CYS 34 HB1 CYS 34 -3.123 -1.276 -1.276 250 HG CYS 34 HG CYS 34 -4.555 0.162 0.162 251 H GLN 35 HN GLN 35 0.201 -3.534 -3.534 252 HA GLN 35 HA GLN 35 1.984 -1.796 -1.796 253 1HB GLN 35 HB2 GLN 35 2.378 -4.511 -4.511 254 2HB GLN 35 HB1 GLN 35 3.650 -3.529 -3.529 255 1HG GLN 35 HG2 GLN 35 1.985 -2.825 -2.825 256 2HG GLN 35 HG1 GLN 35 3.732 -3.142 -3.142 257 1HE2 GLN 35 HE22 GLN 35 2.456 0.579 0.579 258 2HE2 GLN 35 HE21 GLN 35 1.486 -0.664 -0.664 259 H VAL 36 HN VAL 36 0.067 -4.760 -4.760 260 HA VAL 36 HA VAL 36 -0.396 -6.134 -6.134 261 HB VAL 36 HB VAL 36 0.486 -3.641 -3.641 262 1HG1 VAL 36 HG12 VAL 36 -0.936 -6.078 -6.078 263 2HG1 VAL 36 HG11 VAL 36 -1.604 -4.552 -4.552 264 3HG1 VAL 36 HG13 VAL 36 0.072 -4.970 -4.970 265 1HG2 VAL 36 HG22 VAL 36 -1.617 -3.781 -3.781 266 2HG2 VAL 36 HG21 VAL 36 -1.239 -2.484 -2.484 267 3HG2 VAL 36 HG23 VAL 36 -2.345 -3.773 -3.773 268 H CYS 37 HN CYS 37 1.662 -7.314 -7.314 269 HA CYS 37 HA CYS 37 3.886 -8.104 -8.104 270 1HB CYS 37 HB2 CYS 37 3.882 -9.303 -9.303 271 2HB CYS 37 HB1 CYS 37 2.321 -9.430 -9.430 272 HG CYS 37 HG CYS 37 1.460 -8.638 -8.638 273 H PHE 38 HN PHE 38 4.575 -5.652 -5.652 274 HA PHE 38 HA PHE 38 5.544 -4.493 -4.493 275 1HB PHE 38 HB2 PHE 38 6.066 -2.581 -2.581 276 2HB PHE 38 HB1 PHE 38 4.440 -3.138 -3.138 277 HD1 PHE 38 HD1 PHE 38 6.072 -5.551 -5.551 278 HD2 PHE 38 HD2 PHE 38 6.039 -1.255 -1.255 279 HE1 PHE 38 HE1 PHE 38 6.869 -5.515 -5.515 280 HE2 PHE 38 HE2 PHE 38 6.844 -1.231 -1.231 281 HZ PHE 38 HZ PHE 38 7.257 -3.357 -3.357 282 H ILE 39 HN ILE 39 7.873 -3.276 -3.276 283 HA ILE 39 HA ILE 39 9.973 -4.777 -4.777 284 HB ILE 39 HB ILE 39 11.387 -3.412 -3.412 285 1HG1 ILE 39 HG12 ILE 39 8.932 -2.023 -2.023 286 2HG1 ILE 39 HG11 ILE 39 9.331 -3.455 -3.455 287 1HG2 ILE 39 HG21 ILE 39 9.643 -2.568 -2.568 288 2HG2 ILE 39 HG23 ILE 39 9.585 -1.323 -1.323 289 3HG2 ILE 39 HG22 ILE 39 11.130 -1.788 -1.788 290 1HD1 ILE 39 HD13 ILE 39 11.340 -1.270 -1.270 291 2HD1 ILE 39 HD12 ILE 39 10.317 -1.279 -1.279 292 3HD1 ILE 39 HD11 ILE 39 11.484 -2.575 -2.575 293 H THR 40 HN THR 40 8.645 -5.093 -5.093 294 HA THR 40 HA THR 40 10.535 -7.380 -7.380 295 HB THR 40 HB THR 40 9.023 -5.648 -5.648 296 HG1 THR 40 HG1 THR 40 11.727 -5.571 -5.571 297 1HG2 THR 40 HG23 THR 40 10.190 -8.126 -8.126 298 2HG2 THR 40 HG22 THR 40 11.465 -7.005 -7.005 299 3HG2 THR 40 HG21 THR 40 9.883 -6.925 -6.925 300 H LYS 41 HN LYS 41 9.670 -9.367 -9.367 301 HA LYS 41 HA LYS 41 6.893 -9.913 -9.913 302 1HB LYS 41 HB2 LYS 41 9.129 -11.524 -11.524 303 2HB LYS 41 HB1 LYS 41 7.560 -12.210 -12.210 304 1HG LYS 41 HG2 LYS 41 9.513 -10.792 -10.792 305 2HG LYS 41 HG1 LYS 41 9.207 -12.535 -12.535 306 1HD LYS 41 HD2 LYS 41 7.763 -11.917 -11.917 307 2HD LYS 41 HD1 LYS 41 6.679 -11.668 -11.668 308 1HE LYS 41 HE2 LYS 41 7.819 -9.196 -9.196 309 2HE LYS 41 HE1 LYS 41 8.020 -9.627 -9.627 310 1HZ LYS 41 HZ2 LYS 41 5.555 -10.409 -10.409 311 2HZ LYS 41 HZ1 LYS 41 5.651 -9.359 -9.359 312 3HZ LYS 41 HZ3 LYS 41 5.890 -8.761 -8.761 313 H GLY 42 HN GLY 42 8.298 -8.638 -8.638 314 1HA GLY 42 HA2 GLY 42 6.567 -9.934 -9.934 315 2HA GLY 42 HA1 GLY 42 7.565 -8.510 -8.510 316 H LEU 43 HN LEU 43 5.930 -7.726 -7.726 317 HA LEU 43 HA LEU 43 4.040 -6.416 -6.416 318 1HB LEU 43 HB2 LEU 43 2.891 -7.589 -7.589 319 2HB LEU 43 HB1 LEU 43 2.064 -6.953 -6.953 320 HG LEU 43 HG LEU 43 3.774 -9.410 -9.410 321 1HD1 LEU 43 HD13 LEU 43 1.125 -8.769 -8.769 322 2HD1 LEU 43 HD12 LEU 43 1.026 -9.822 -9.822 323 3HD1 LEU 43 HD11 LEU 43 1.949 -10.329 -10.329 324 1HD2 LEU 43 HD22 LEU 43 2.165 -7.907 -7.907 325 2HD2 LEU 43 HD21 LEU 43 3.895 -8.252 -8.252 326 3HD2 LEU 43 HD23 LEU 43 2.728 -9.564 -9.564 327 H GLY 44 HN GLY 44 6.228 -5.273 -5.273 328 1HA GLY 44 HA2 GLY 44 6.722 -3.341 -3.341 329 2HA GLY 44 HA1 GLY 44 5.175 -2.751 -2.751 330 H ILE 45 HN ILE 45 5.409 -5.664 -5.664 331 HA ILE 45 HA ILE 45 3.635 -4.596 -4.596 332 HB ILE 45 HB ILE 45 4.207 -6.752 -6.752 333 1HG1 ILE 45 HG12 ILE 45 6.229 -6.927 -6.927 334 2HG1 ILE 45 HG11 ILE 45 6.449 -7.075 -7.075 335 1HG2 ILE 45 HG23 ILE 45 3.352 -6.606 -6.606 336 2HG2 ILE 45 HG22 ILE 45 3.475 -8.175 -8.175 337 3HG2 ILE 45 HG21 ILE 45 2.385 -6.946 -6.946 338 1HD1 ILE 45 HD12 ILE 45 4.852 -9.132 -9.132 339 2HD1 ILE 45 HD11 ILE 45 6.542 -9.299 -9.299 340 3HD1 ILE 45 HD13 ILE 45 5.303 -9.068 -9.068 341 H SER 46 HN SER 46 7.165 -5.376 -5.376 342 HA SER 46 HA SER 46 7.744 -3.082 -3.082 343 1HB SER 46 HB2 SER 46 6.327 -4.902 -4.902 344 2HB SER 46 HB1 SER 46 7.919 -5.603 -5.603 345 HG SER 46 HG SER 46 7.892 -4.193 -4.193 346 H TYR 47 HN TYR 47 8.949 -4.919 -4.919 347 HA TYR 47 HA TYR 47 11.400 -5.981 -5.981 348 1HB TYR 47 HB2 TYR 47 11.935 -6.542 -6.542 349 2HB TYR 47 HB1 TYR 47 10.220 -6.874 -6.874 350 HD1 TYR 47 HD1 TYR 47 12.531 -4.331 -4.331 351 HD2 TYR 47 HD2 TYR 47 8.520 -5.830 -5.830 352 HE1 TYR 47 HE1 TYR 47 11.849 -2.818 -2.818 353 HE2 TYR 47 HE2 TYR 47 7.840 -4.335 -4.335 354 HH TYR 47 HH TYR 47 9.562 -3.086 -3.086 355 H GLY 48 HN GLY 48 10.412 -2.953 -2.953 356 1HA GLY 48 HA2 GLY 48 12.029 -1.031 -1.031 357 2HA GLY 48 HA1 GLY 48 13.234 -1.942 -1.942 358 H ARG 49 HN ARG 49 9.919 -0.750 -0.750 359 HA ARG 49 HA ARG 49 10.350 -0.522 -0.522 360 1HB ARG 49 HB2 ARG 49 8.183 -0.800 -0.800 361 2HB ARG 49 HB1 ARG 49 8.410 0.703 0.703 362 1HG ARG 49 HG2 ARG 49 8.597 1.784 1.784 363 2HG ARG 49 HG1 ARG 49 8.101 0.214 0.214 364 1HD ARG 49 HD2 ARG 49 6.518 2.060 2.060 365 2HD ARG 49 HD1 ARG 49 6.136 1.608 1.608 366 HE ARG 49 HE ARG 49 6.101 -0.818 -0.818 367 1HH1 ARG 49 HH11 ARG 49 6.340 1.098 1.098 368 2HH1 ARG 49 HH12 ARG 49 4.825 0.656 0.656 369 1HH2 ARG 49 HH21 ARG 49 3.676 -1.023 -1.023 370 2HH2 ARG 49 HH22 ARG 49 3.323 -0.551 -0.551 371 H LYS 50 HN LYS 50 11.448 1.021 1.021 372 HA LYS 50 HA LYS 50 12.882 3.121 3.121 373 1HB LYS 50 HB2 LYS 50 13.171 3.880 3.880 374 2HB LYS 50 HB1 LYS 50 13.689 2.279 2.279 375 1HG LYS 50 HG2 LYS 50 10.865 2.325 2.325 376 2HG LYS 50 HG1 LYS 50 11.917 2.897 2.897 377 1HD LYS 50 HD2 LYS 50 11.791 0.166 0.166 378 2HD LYS 50 HD1 LYS 50 11.904 0.617 0.617 379 1HE LYS 50 HE2 LYS 50 14.322 1.418 1.418 380 2HE LYS 50 HE1 LYS 50 14.013 0.550 0.550 381 1HZ LYS 50 HZ1 LYS 50 13.616 -0.673 -0.673 382 2HZ LYS 50 HZ3 LYS 50 15.005 -0.898 -0.898 383 3HZ LYS 50 HZ2 LYS 50 13.496 -1.432 -1.432 384 H LYS 51 HN LYS 51 9.724 3.187 3.187 385 HA LYS 51 HA LYS 51 8.753 5.447 5.447 386 1HB LYS 51 HB2 LYS 51 8.988 7.135 7.135 387 2HB LYS 51 HB1 LYS 51 10.420 6.815 6.815 388 1HG LYS 51 HG2 LYS 51 11.205 5.209 5.209 389 2HG LYS 51 HG1 LYS 51 9.706 5.403 5.403 390 1HD LYS 51 HD2 LYS 51 10.297 7.908 7.908 391 2HD LYS 51 HD1 LYS 51 11.905 7.374 7.374 392 1HE LYS 51 HE2 LYS 51 11.707 5.712 5.712 393 2HE LYS 51 HE1 LYS 51 10.429 6.832 6.832 394 1HZ LYS 51 HZ2 LYS 51 13.209 7.602 7.602 395 2HZ LYS 51 HZ1 LYS 51 12.677 7.495 7.495 396 3HZ LYS 51 HZ3 LYS 51 12.012 8.663 8.663 397 H ARG 52 HN ARG 52 7.906 6.235 6.235 398 HA ARG 52 HA ARG 52 5.326 4.891 4.891 399 1HB ARG 52 HB2 ARG 52 6.649 6.877 6.877 400 2HB ARG 52 HB1 ARG 52 5.129 6.172 6.172 401 1HG ARG 52 HG2 ARG 52 4.248 7.913 7.913 402 2HG ARG 52 HG1 ARG 52 4.481 6.827 6.827 403 1HD ARG 52 HD2 ARG 52 5.433 9.036 9.036 404 2HD ARG 52 HD1 ARG 52 6.751 7.868 7.868 405 HE ARG 52 HE ARG 52 6.291 8.867 8.867 406 1HH1 ARG 52 HH11 ARG 52 5.934 11.165 11.165 407 2HH1 ARG 52 HH12 ARG 52 7.446 11.976 11.976 408 1HH2 ARG 52 HH21 ARG 52 8.806 9.430 9.430 409 2HH2 ARG 52 HH22 ARG 52 9.076 10.991 10.991 410 H ARG 53 HN ARG 53 8.296 4.387 4.387 411 HA ARG 53 HA ARG 53 8.954 2.642 2.642 412 1HB ARG 53 HB2 ARG 53 7.922 1.281 1.281 413 2HB ARG 53 HB1 ARG 53 6.306 1.418 1.418 414 1HG ARG 53 HG2 ARG 53 8.502 0.467 0.467 415 2HG ARG 53 HG1 ARG 53 7.954 -0.618 -0.618 416 1HD ARG 53 HD2 ARG 53 5.770 -0.783 -0.783 417 2HD ARG 53 HD1 ARG 53 5.890 0.734 0.734 418 HE ARG 53 HE ARG 53 7.190 -1.823 -1.823 419 1HH1 ARG 53 HH21 ARG 53 9.167 -0.453 -0.453 420 2HH1 ARG 53 HH22 ARG 53 8.545 0.410 0.410 421 1HH2 ARG 53 HH11 ARG 53 5.236 0.165 0.165 422 2HH2 ARG 53 HH12 ARG 53 6.320 0.754 0.754 423 H GLN 54 HN GLN 54 6.324 4.687 4.687 424 HA GLN 54 HA GLN 54 5.169 3.557 3.557 425 1HB GLN 54 HB2 GLN 54 4.612 5.929 5.929 426 2HB GLN 54 HB1 GLN 54 4.288 5.521 5.521 427 1HG GLN 54 HG2 GLN 54 6.742 6.487 6.487 428 2HG GLN 54 HG1 GLN 54 6.454 7.227 7.227 429 1HE2 GLN 54 HE22 GLN 54 5.352 9.774 9.774 430 2HE2 GLN 54 HE21 GLN 54 6.756 9.189 9.189 431 H ARG 55 HN ARG 55 7.978 5.711 5.711 432 HA ARG 55 HA ARG 55 9.735 6.312 6.312 433 1HB ARG 55 HB2 ARG 55 9.511 3.350 3.350 434 2HB ARG 55 HB1 ARG 55 10.984 4.314 4.314 435 1HG ARG 55 HG2 ARG 55 10.624 4.646 4.646 436 2HG ARG 55 HG1 ARG 55 9.136 3.936 3.936 437 1HD ARG 55 HD2 ARG 55 9.932 1.729 1.729 438 2HD ARG 55 HD1 ARG 55 11.469 2.330 2.330 439 HE ARG 55 HE ARG 55 10.841 3.143 3.143 440 1HH1 ARG 55 HH11 ARG 55 11.581 0.153 0.153 441 2HH1 ARG 55 HH12 ARG 55 13.177 0.062 0.062 442 1HH2 ARG 55 HH21 ARG 55 13.315 3.434 3.434 443 2HH2 ARG 55 HH22 ARG 55 14.161 1.923 1.923 444 H ARG 56 HN ARG 56 7.031 6.474 6.474 445 HA ARG 56 HA ARG 56 7.751 6.940 6.940 446 1HB ARG 56 HB2 ARG 56 6.576 5.126 5.126 447 2HB ARG 56 HB1 ARG 56 7.590 4.379 4.379 448 1HG ARG 56 HG2 ARG 56 5.372 4.815 4.815 449 2HG ARG 56 HG1 ARG 56 4.626 4.737 4.737 450 1HD ARG 56 HD2 ARG 56 6.654 2.668 2.668 451 2HD ARG 56 HD1 ARG 56 5.089 2.573 2.573 452 HE ARG 56 HE ARG 56 4.555 3.144 3.144 453 1HH1 ARG 56 HH11 ARG 56 4.314 0.628 0.628 454 2HH1 ARG 56 HH12 ARG 56 4.479 -0.642 -0.642 455 1HH2 ARG 56 HH21 ARG 56 5.406 1.489 1.489 456 2HH2 ARG 56 HH22 ARG 56 5.093 -0.152 -0.152 457 H ARG 57 HN ARG 57 6.467 8.302 8.302 458 HA ARG 57 HA ARG 57 3.669 8.420 8.420 459 1HB ARG 57 HB2 ARG 57 5.124 9.482 9.482 460 2HB ARG 57 HB1 ARG 57 5.788 10.586 10.586 461 1HG ARG 57 HG2 ARG 57 4.158 11.953 11.953 462 2HG ARG 57 HG1 ARG 57 3.165 11.204 11.204 463 1HD ARG 57 HD2 ARG 57 2.235 9.647 9.647 464 2HD ARG 57 HD1 ARG 57 3.425 10.024 10.024 465 HE ARG 57 HE ARG 57 1.248 11.868 11.868 466 1HH1 ARG 57 HH21 ARG 57 3.285 13.671 13.671 467 2HH1 ARG 57 HH22 ARG 57 3.154 13.765 13.765 468 1HH2 ARG 57 HH11 ARG 57 1.297 10.843 10.843 469 2HH2 ARG 57 HH12 ARG 57 2.026 12.161 12.161 470 HA PRO 58 HA PRO 58 3.895 11.661 11.661 471 1HB PRO 58 HB2 PRO 58 6.045 11.452 11.452 472 2HB PRO 58 HB1 PRO 58 6.006 12.529 12.529 473 1HG PRO 58 HG2 PRO 58 7.218 9.808 9.808 474 2HG PRO 58 HG1 PRO 58 7.888 11.262 11.262 475 1HD PRO 58 HD2 PRO 58 6.861 9.275 9.275 476 2HD PRO 58 HD1 PRO 58 6.685 10.926 10.926 477 H SER 59 HN SER 59 4.812 8.303 8.303 478 HA SER 59 HA SER 59 3.897 7.942 7.942 479 1HB SER 59 HB2 SER 59 4.774 6.043 6.043 480 2HB SER 59 HB1 SER 59 4.409 5.545 5.545 481 HG SER 59 HG SER 59 6.263 6.270 6.270 482 H GLN 60 HN GLN 60 1.726 7.855 7.855 483 HA GLN 60 HA GLN 60 -0.053 6.293 6.293 484 1HB GLN 60 HB2 GLN 60 -0.130 9.249 9.249 485 2HB GLN 60 HB1 GLN 60 -1.647 8.339 8.339 486 1HG GLN 60 HG2 GLN 60 -1.079 7.483 7.483 487 2HG GLN 60 HG1 GLN 60 0.568 8.059 8.059 488 1HE2 GLN 60 HE22 GLN 60 -0.151 11.289 11.289 489 2HE2 GLN 60 HE21 GLN 60 1.007 10.081 10.081 490 H GLY 61 HN GLY 61 1.018 5.905 5.905 491 1HA GLY 61 HA2 GLY 61 -1.190 6.466 6.466 492 2HA GLY 61 HA1 GLY 61 0.263 5.529 5.529 493 H GLY 62 HN GLY 62 -2.954 5.438 5.438 494 1HA GLY 62 HA2 GLY 62 -4.429 3.641 3.641 495 2HA GLY 62 HA1 GLY 62 -3.430 2.708 2.708 496 H GLN 63 HN GLN 63 -2.080 4.253 4.253 497 HA GLN 63 HA GLN 63 -1.039 1.705 1.705 498 1HB GLN 63 HB2 GLN 63 -1.030 4.542 4.542 499 2HB GLN 63 HB1 GLN 63 -0.123 3.273 3.273 500 1HG GLN 63 HG2 GLN 63 0.352 3.432 3.432 501 2HG GLN 63 HG1 GLN 63 0.770 4.841 4.841 502 1HE2 GLN 63 HE22 GLN 63 2.642 1.657 1.657 503 2HE2 GLN 63 HE21 GLN 63 0.941 1.707 1.707 504 H THR 64 HN THR 64 -3.555 4.011 4.011 505 HA THR 64 HA THR 64 -5.095 3.859 3.859 506 HB THR 64 HB THR 64 -4.718 0.977 0.977 507 HG1 THR 64 HG1 THR 64 -6.843 2.746 2.746 508 1HG2 THR 64 HG23 THR 64 -6.171 2.085 2.085 509 2HG2 THR 64 HG22 THR 64 -7.316 1.431 1.431 510 3HG2 THR 64 HG21 THR 64 -6.052 0.399 0.399 511 H HIS 65 HN HIS 65 -2.662 4.329 4.329 512 HA HIS 65 HA HIS 65 -1.363 2.398 2.398 513 1HB HIS 65 HB2 HIS 65 -1.323 5.217 5.217 514 2HB HIS 65 HB1 HIS 65 -0.811 4.923 4.923 515 HD1 HIS 65 HD1 HIS 65 0.362 5.565 5.565 516 HD2 HIS 65 HD2 HIS 65 1.236 2.419 2.419 517 HE1 HIS 65 HE1 HIS 65 2.545 4.567 4.567 518 H GLN 66 HN GLN 66 -1.131 2.953 2.953 519 HA GLN 66 HA GLN 66 -3.857 3.385 3.385 520 1HB GLN 66 HB2 GLN 66 -1.672 1.451 1.451 521 2HB GLN 66 HB1 GLN 66 -3.062 1.637 1.637 522 1HG GLN 66 HG2 GLN 66 -4.217 0.221 0.221 523 2HG GLN 66 HG1 GLN 66 -4.133 1.355 1.355 524 1HE2 GLN 66 HE22 GLN 66 -1.386 -0.404 -0.404 525 2HE2 GLN 66 HE21 GLN 66 -2.069 1.135 1.135 526 H ASP 67 HN ASP 67 -0.420 3.232 3.232 527 HA ASP 67 HA ASP 67 -0.863 5.019 5.019 528 1HB ASP 67 HB2 ASP 67 0.694 3.194 3.194 529 2HB ASP 67 HB1 ASP 67 1.546 3.785 3.785 530 HA PRO 68 HA PRO 68 1.700 8.021 8.021 531 1HB PRO 68 HB2 PRO 68 1.827 7.596 7.596 532 2HB PRO 68 HB1 PRO 68 3.003 6.965 6.965 533 1HG PRO 68 HG2 PRO 68 0.781 5.647 5.647 534 2HG PRO 68 HG1 PRO 68 2.301 4.928 4.928 535 1HD PRO 68 HD2 PRO 68 -0.057 4.550 4.550 536 2HD PRO 68 HD1 PRO 68 1.563 4.302 4.302 537 H ILE 69 HN ILE 69 -1.185 6.747 6.747 538 HA ILE 69 HA ILE 69 -2.062 9.613 9.613 539 HB ILE 69 HB ILE 69 -2.384 9.467 9.467 540 1HG1 ILE 69 HG12 ILE 69 -4.195 7.945 7.945 541 2HG1 ILE 69 HG11 ILE 69 -2.846 7.231 7.231 542 1HG2 ILE 69 HG22 ILE 69 -0.050 8.747 8.747 543 2HG2 ILE 69 HG21 ILE 69 -0.575 7.062 7.062 544 3HG2 ILE 69 HG23 ILE 69 -0.734 8.038 8.038 545 1HD1 ILE 69 HD13 ILE 69 -2.288 6.057 6.057 546 2HD1 ILE 69 HD12 ILE 69 -4.030 6.203 6.203 547 3HD1 ILE 69 HD11 ILE 69 -3.383 5.372 5.372 548 HA PRO 70 HA PRO 70 -5.331 6.641 6.641 549 1HB PRO 70 HB2 PRO 70 -5.228 7.783 7.783 550 2HB PRO 70 HB1 PRO 70 -4.385 6.258 6.258 551 1HG PRO 70 HG2 PRO 70 -3.501 9.138 9.138 552 2HG PRO 70 HG1 PRO 70 -2.637 7.693 7.693 553 1HD PRO 70 HD2 PRO 70 -1.971 8.930 8.930 554 2HD PRO 70 HD1 PRO 70 -1.949 7.139 7.139 555 H LYS 71 HN LYS 71 -4.639 9.994 9.994 556 HA LYS 71 HA LYS 71 -6.959 11.203 11.203 557 1HB LYS 71 HB2 LYS 71 -6.377 12.989 12.989 558 2HB LYS 71 HB1 LYS 71 -5.108 12.572 12.572 559 1HG LYS 71 HG2 LYS 71 -4.815 10.807 10.807 560 2HG LYS 71 HG1 LYS 71 -5.163 12.409 12.409 561 1HD LYS 71 HD2 LYS 71 -2.803 12.121 12.121 562 2HD LYS 71 HD1 LYS 71 -3.371 13.395 13.395 563 1HE LYS 71 HE2 LYS 71 -3.275 11.824 11.824 564 2HE LYS 71 HE1 LYS 71 -2.816 10.507 10.507 565 1HZ LYS 71 HZ1 LYS 71 -0.916 11.899 11.899 566 2HZ LYS 71 HZ3 LYS 71 -1.311 13.032 13.032 567 3HZ LYS 71 HZ2 LYS 71 -0.831 11.462 11.462 568 H GLN 72 HN GLN 72 -6.475 9.627 9.627 569 HA GLN 72 HA GLN 72 -9.380 9.485 9.485 570 1HB GLN 72 HB2 GLN 72 -8.784 10.729 10.729 571 2HB GLN 72 HB1 GLN 72 -9.387 11.573 11.573 572 1HG GLN 72 HG2 GLN 72 -7.578 12.826 12.826 573 2HG GLN 72 HG1 GLN 72 -6.787 11.838 11.838 574 1HE2 GLN 72 HE22 GLN 72 -4.845 10.139 10.139 575 2HE2 GLN 72 HE21 GLN 72 -5.379 10.030 10.030 576 HA PRO 73 HA PRO 73 -8.486 6.100 6.100 577 1HB PRO 73 HB2 PRO 73 -9.594 6.654 6.654 578 2HB PRO 73 HB1 PRO 73 -10.570 6.173 6.173 579 1HG PRO 73 HG2 PRO 73 -10.058 8.969 8.969 580 2HG PRO 73 HG1 PRO 73 -11.582 8.219 8.219 581 1HD PRO 73 HD2 PRO 73 -10.278 9.805 9.805 582 2HD PRO 73 HD1 PRO 73 -10.987 8.310 8.310 583 H SER 74 HN SER 74 -7.727 9.297 9.297 584 HA SER 74 HA SER 74 -5.763 10.154 10.154 585 1HB SER 74 HB2 SER 74 -3.868 8.921 8.921 586 2HB SER 74 HB1 SER 74 -4.916 8.154 8.154 587 HG SER 74 HG SER 74 -3.492 7.115 7.115 588 H SER 75 HN SER 75 -5.699 7.083 7.083 589 HA SER 75 HA SER 75 -5.600 8.717 8.717 590 1HB SER 75 HB2 SER 75 -4.371 6.872 6.872 591 2HB SER 75 HB1 SER 75 -4.163 6.903 6.903 592 HG SER 75 HG SER 75 -4.937 5.008 5.008 593 H GLN 76 HN GLN 76 -8.020 7.175 7.175 594 HA GLN 76 HA GLN 76 -9.595 6.082 6.082 595 1HB GLN 76 HB2 GLN 76 -9.985 6.696 6.696 596 2HB GLN 76 HB1 GLN 76 -11.317 6.045 6.045 597 1HG GLN 76 HG2 GLN 76 -10.490 4.008 4.008 598 2HG GLN 76 HG1 GLN 76 -9.403 4.284 4.284 599 1HE2 GLN 76 HE22 GLN 76 -6.563 4.882 4.882 600 2HE2 GLN 76 HE21 GLN 76 -7.198 5.214 5.214 601 HA PRO 77 HA PRO 77 -11.933 10.211 10.211 602 1HB PRO 77 HB2 PRO 77 -10.605 12.280 12.280 603 2HB PRO 77 HB1 PRO 77 -11.595 11.100 11.100 604 1HG PRO 77 HG2 PRO 77 -8.645 11.300 11.300 605 2HG PRO 77 HG1 PRO 77 -9.637 10.763 10.763 606 1HD PRO 77 HD2 PRO 77 -8.307 9.232 9.232 607 2HD PRO 77 HD1 PRO 77 -9.441 8.591 8.591 608 H ARG 78 HN ARG 78 -9.046 9.501 9.501 609 HA ARG 78 HA ARG 78 -8.948 11.962 11.962 610 1HB ARG 78 HB2 ARG 78 -6.801 9.970 9.970 611 2HB ARG 78 HB1 ARG 78 -6.549 11.546 11.546 612 1HG ARG 78 HG2 ARG 78 -7.380 12.617 12.617 613 2HG ARG 78 HG1 ARG 78 -7.322 11.006 11.006 614 1HD ARG 78 HD2 ARG 78 -4.931 10.834 10.834 615 2HD ARG 78 HD1 ARG 78 -4.925 12.381 12.381 616 HE ARG 78 HE ARG 78 -6.149 12.819 12.819 617 1HH1 ARG 78 HH11 ARG 78 -3.753 14.306 14.306 618 2HH1 ARG 78 HH12 ARG 78 -2.538 13.972 13.972 619 1HH2 ARG 78 HH21 ARG 78 -4.304 11.356 11.356 620 2HH2 ARG 78 HH22 ARG 78 -2.852 12.296 12.296 621 H GLY 79 HN GLY 79 -8.385 8.435 8.435 622 1HA GLY 79 HA2 GLY 79 -9.434 7.099 7.099 623 2HA GLY 79 HA1 GLY 79 -9.479 8.139 8.139 624 H ASP 80 HN ASP 80 -7.174 6.857 6.857 625 HA ASP 80 HA ASP 80 -5.217 5.933 5.933 626 1HB ASP 80 HB2 ASP 80 -5.601 5.900 5.900 627 2HB ASP 80 HB1 ASP 80 -4.240 5.019 5.019 628 HA PRO 81 HA PRO 81 -6.550 1.724 1.724 629 1HB PRO 81 HB2 PRO 81 -4.449 0.140 0.140 630 2HB PRO 81 HB1 PRO 81 -4.475 1.029 1.029 631 1HG PRO 81 HG2 PRO 81 -3.185 1.786 1.786 632 2HG PRO 81 HG1 PRO 81 -2.537 1.874 1.874 633 1HD PRO 81 HD2 PRO 81 -3.405 4.017 4.017 634 2HD PRO 81 HD1 PRO 81 -3.699 3.799 3.799 635 H THR 82 HN THR 82 -8.041 2.319 2.319 636 HA THR 82 HA THR 82 -7.467 0.569 0.569 637 HB THR 82 HB THR 82 -8.505 2.295 2.295 638 HG1 THR 82 HG1 THR 82 -9.879 3.393 3.393 639 1HG2 THR 82 HG22 THR 82 -6.009 2.411 2.411 640 2HG2 THR 82 HG21 THR 82 -6.654 4.032 4.032 641 3HG2 THR 82 HG23 THR 82 -6.539 3.373 3.373 642 H GLY 83 HN GLY 83 -10.129 1.405 1.405 643 1HA GLY 83 HA2 GLY 83 -11.857 -0.365 -0.365 644 2HA GLY 83 HA1 GLY 83 -12.078 -0.036 -0.036 645 HA PRO 84 HA PRO 84 -14.448 3.534 3.534 646 1HB PRO 84 HB2 PRO 84 -14.134 5.100 5.100 647 2HB PRO 84 HB1 PRO 84 -15.019 3.572 3.572 648 1HG PRO 84 HG2 PRO 84 -12.316 4.239 4.239 649 2HG PRO 84 HG1 PRO 84 -13.426 3.053 3.053 650 1HD PRO 84 HD2 PRO 84 -11.199 2.615 2.615 651 2HD PRO 84 HD1 PRO 84 -12.493 1.453 1.453 652 H LYS 85 HN LYS 85 -12.189 3.597 3.597 653 HA LYS 85 HA LYS 85 -10.436 5.851 5.851 654 1HB LYS 85 HB2 LYS 85 -9.733 5.239 5.239 655 2HB LYS 85 HB1 LYS 85 -9.308 4.255 4.255 656 1HG LYS 85 HG2 LYS 85 -10.845 2.630 2.630 657 2HG LYS 85 HG1 LYS 85 -11.906 3.706 3.706 658 1HD LYS 85 HD2 LYS 85 -9.617 3.854 3.854 659 2HD LYS 85 HD1 LYS 85 -9.547 2.190 2.190 660 1HE LYS 85 HE2 LYS 85 -11.842 1.804 1.804 661 2HE LYS 85 HE1 LYS 85 -11.907 3.484 3.484 662 1HZ LYS 85 HZ3 LYS 85 -9.818 1.490 1.490 663 2HZ LYS 85 HZ2 LYS 85 -11.145 1.906 1.906 664 3HZ LYS 85 HZ1 LYS 85 -9.966 3.069 3.069 665 H GLU 86 HN GLU 86 -12.756 6.913 6.913 666 HA GLU 86 HA GLU 86 -13.715 8.044 8.044 667 1HB GLU 86 HB2 GLU 86 -15.321 9.185 9.185 668 2HB GLU 86 HB1 GLU 86 -15.320 7.402 7.402 669 1HG GLU 86 HG2 GLU 86 -14.400 7.110 7.110 670 2HG GLU 86 HG1 GLU 86 -13.392 8.497 8.497 Start of MODEL 9 1 1H LEU 1 HT1 LEU 1 15.149 -9.993 -9.993 2 2H LEU 1 HT3 LEU 1 13.792 -11.011 -11.011 3 3H LEU 1 HT2 LEU 1 14.271 -10.181 -10.181 4 HA LEU 1 HA LEU 1 12.415 -8.995 -8.995 5 1HB LEU 1 HB2 LEU 1 12.292 -8.409 -8.409 6 2HB LEU 1 HB1 LEU 1 12.545 -10.152 -10.152 7 HG LEU 1 HG LEU 1 15.133 -9.061 -9.061 8 1HD1 LEU 1 HD12 LEU 1 13.404 -7.196 -7.196 9 2HD1 LEU 1 HD11 LEU 1 14.364 -7.990 -7.990 10 3HD1 LEU 1 HD13 LEU 1 15.164 -7.185 -7.185 11 1HD2 LEU 1 HD23 LEU 1 13.563 -10.949 -10.949 12 2HD2 LEU 1 HD22 LEU 1 15.319 -10.794 -10.794 13 3HD2 LEU 1 HD21 LEU 1 14.390 -9.943 -9.943 14 H ASP 2 HN ASP 2 12.408 -6.606 -6.606 15 HA ASP 2 HA ASP 2 13.205 -4.432 -4.432 16 1HB ASP 2 HB2 ASP 2 14.581 -5.608 -5.608 17 2HB ASP 2 HB1 ASP 2 15.907 -5.271 -5.271 18 HA PRO 3 HA PRO 3 15.635 -5.656 -5.656 19 1HB PRO 3 HB2 PRO 3 13.618 -5.888 -5.888 20 2HB PRO 3 HB1 PRO 3 14.144 -7.223 -7.223 21 1HG PRO 3 HG2 PRO 3 11.689 -5.629 -5.629 22 2HG PRO 3 HG1 PRO 3 12.026 -7.238 -7.238 23 1HD PRO 3 HD2 PRO 3 12.140 -4.622 -4.622 24 2HD PRO 3 HD1 PRO 3 12.181 -6.189 -6.189 25 H VAL 4 HN VAL 4 12.778 -4.097 -4.097 26 HA VAL 4 HA VAL 4 14.260 -1.722 -1.722 27 HB VAL 4 HB VAL 4 11.379 -2.690 -2.690 28 1HG1 VAL 4 HG13 VAL 4 12.457 0.002 0.002 29 2HG1 VAL 4 HG12 VAL 4 11.003 -0.705 -0.705 30 3HG1 VAL 4 HG11 VAL 4 11.050 -0.311 -0.311 31 1HG2 VAL 4 HG21 VAL 4 13.426 -2.153 -2.153 32 2HG2 VAL 4 HG23 VAL 4 12.854 -3.725 -3.725 33 3HG2 VAL 4 HG22 VAL 4 11.756 -2.638 -2.638 34 H ASP 5 HN ASP 5 11.445 -2.233 -2.233 35 HA ASP 5 HA ASP 5 12.506 -0.435 -0.435 36 1HB ASP 5 HB2 ASP 5 10.162 0.115 0.115 37 2HB ASP 5 HB1 ASP 5 10.082 0.703 0.703 38 HA PRO 6 HA PRO 6 9.284 -3.353 -3.353 39 1HB PRO 6 HB2 PRO 6 6.890 -3.731 -3.731 40 2HB PRO 6 HB1 PRO 6 7.229 -2.300 -2.300 41 1HG PRO 6 HG2 PRO 6 6.932 -2.508 -2.508 42 2HG PRO 6 HG1 PRO 6 6.905 -1.062 -1.062 43 1HD PRO 6 HD2 PRO 6 9.021 -2.193 -2.193 44 2HD PRO 6 HD1 PRO 6 8.816 -0.593 -0.593 45 H ASN 7 HN ASN 7 7.930 -5.649 -5.649 46 HA ASN 7 HA ASN 7 9.925 -7.069 -7.069 47 1HB ASN 7 HB2 ASN 7 7.257 -7.729 -7.729 48 2HB ASN 7 HB1 ASN 7 8.124 -8.912 -8.912 49 1HD2 ASN 7 HD22 ASN 7 9.664 -7.888 -7.888 50 2HD2 ASN 7 HD21 ASN 7 8.455 -6.915 -6.915 51 H ILE 8 HN ILE 8 6.486 -6.245 -6.245 52 HA ILE 8 HA ILE 8 7.099 -6.426 -6.426 53 HB ILE 8 HB ILE 8 5.088 -7.690 -7.690 54 1HG1 ILE 8 HG12 ILE 8 3.696 -6.472 -6.472 55 2HG1 ILE 8 HG11 ILE 8 3.447 -8.198 -8.198 56 1HG2 ILE 8 HG21 ILE 8 6.688 -8.735 -8.735 57 2HG2 ILE 8 HG23 ILE 8 5.460 -9.698 -9.698 58 3HG2 ILE 8 HG22 ILE 8 6.875 -9.131 -9.131 59 1HD1 ILE 8 HD11 ILE 8 5.393 -8.177 -8.177 60 2HD1 ILE 8 HD13 ILE 8 4.708 -6.580 -6.580 61 3HD1 ILE 8 HD12 ILE 8 3.688 -8.014 -8.014 62 H GLU 9 HN GLU 9 6.355 -4.277 -4.277 63 HA GLU 9 HA GLU 9 5.159 -2.239 -2.239 64 1HB GLU 9 HB2 GLU 9 5.365 -2.722 -2.722 65 2HB GLU 9 HB1 GLU 9 4.961 -1.189 -1.189 66 1HG GLU 9 HG2 GLU 9 7.033 -0.999 -0.999 67 2HG GLU 9 HG1 GLU 9 7.521 -2.657 -2.657 68 HA PRO 10 HA PRO 10 1.136 -4.389 -4.389 69 1HB PRO 10 HB2 PRO 10 0.430 -4.991 -4.991 70 2HB PRO 10 HB1 PRO 10 1.334 -6.186 -6.186 71 1HG PRO 10 HG2 PRO 10 2.102 -4.401 -4.401 72 2HG PRO 10 HG1 PRO 10 2.896 -5.981 -5.981 73 1HD PRO 10 HD2 PRO 10 3.818 -3.358 -3.358 74 2HD PRO 10 HD1 PRO 10 4.421 -4.804 -4.804 75 H TRP 11 HN TRP 11 1.585 -1.585 -1.585 76 HA TRP 11 HA TRP 11 -0.560 -0.842 -0.842 77 1HB TRP 11 HB2 TRP 11 1.720 0.690 0.690 78 2HB TRP 11 HB1 TRP 11 0.497 1.416 1.416 79 HD1 TRP 11 HD1 TRP 11 3.351 -1.143 -1.143 80 HE1 TRP 11 HE1 TRP 11 4.161 -1.364 -1.364 81 HE3 TRP 11 HE3 TRP 11 -0.119 1.767 1.767 82 HZ2 TRP 11 HZ2 TRP 11 3.427 -0.421 -0.421 83 HZ3 TRP 11 HZ3 TRP 11 -0.034 2.084 2.084 84 HH2 TRP 11 HH2 TRP 11 1.727 0.998 0.998 85 H ASN 12 HN ASN 12 -0.800 -1.931 -1.931 86 HA ASN 12 HA ASN 12 -2.167 0.379 0.379 87 1HB ASN 12 HB2 ASN 12 -1.893 -1.276 -1.276 88 2HB ASN 12 HB1 ASN 12 -0.508 -0.368 -0.368 89 1HD2 ASN 12 HD22 ASN 12 1.175 -3.203 -3.203 90 2HD2 ASN 12 HD21 ASN 12 1.027 -1.513 -1.513 91 H HIS 13 HN HIS 13 -4.318 0.332 0.332 92 HA HIS 13 HA HIS 13 -5.708 -2.310 -2.310 93 1HB HIS 13 HB2 HIS 13 -6.027 0.406 0.406 94 2HB HIS 13 HB1 HIS 13 -7.400 -0.725 -0.725 95 HD1 HIS 13 HD1 HIS 13 -6.158 0.092 0.092 96 HD2 HIS 13 HD2 HIS 13 -4.847 -3.212 -3.212 97 HE1 HIS 13 HE1 HIS 13 -5.008 -1.444 -1.444 98 HA PRO 14 HA PRO 14 -7.501 -0.895 -0.895 99 1HB PRO 14 HB2 PRO 14 -9.055 -3.220 -3.220 100 2HB PRO 14 HB1 PRO 14 -7.382 -3.065 -3.065 101 1HG PRO 14 HG2 PRO 14 -8.670 -4.153 -4.153 102 2HG PRO 14 HG1 PRO 14 -7.341 -4.853 -4.853 103 1HD PRO 14 HD2 PRO 14 -6.831 -3.598 -3.598 104 2HD PRO 14 HD1 PRO 14 -5.736 -3.440 -3.440 105 H GLY 15 HN GLY 15 -9.140 -1.985 -1.985 106 1HA GLY 15 HA2 GLY 15 -11.060 -0.981 -0.981 107 2HA GLY 15 HA1 GLY 15 -11.347 -0.123 -0.123 108 H SER 16 HN SER 16 -10.717 -3.137 -3.137 109 HA SER 16 HA SER 16 -13.563 -4.045 -4.045 110 1HB SER 16 HB2 SER 16 -11.607 -3.601 -3.601 111 2HB SER 16 HB1 SER 16 -12.346 -5.200 -5.200 112 HG SER 16 HG SER 16 -14.308 -4.301 -4.301 113 H GLN 17 HN GLN 17 -10.822 -4.698 -4.698 114 HA GLN 17 HA GLN 17 -11.309 -7.617 -7.617 115 1HB GLN 17 HB2 GLN 17 -8.661 -6.301 -6.301 116 2HB GLN 17 HB1 GLN 17 -8.864 -7.920 -7.920 117 1HG GLN 17 HG2 GLN 17 -9.479 -8.847 -8.847 118 2HG GLN 17 HG1 GLN 17 -10.697 -7.653 -7.653 119 1HE2 GLN 17 HE22 GLN 17 -8.567 -5.826 -5.826 120 2HE2 GLN 17 HE21 GLN 17 -10.030 -5.784 -5.784 121 HA PRO 18 HA PRO 18 -8.793 -6.492 -6.492 122 1HB PRO 18 HB2 PRO 18 -7.802 -3.931 -3.931 123 2HB PRO 18 HB1 PRO 18 -6.882 -5.291 -5.291 124 1HG PRO 18 HG2 PRO 18 -8.543 -3.206 -3.206 125 2HG PRO 18 HG1 PRO 18 -6.876 -3.702 -3.702 126 1HD PRO 18 HD2 PRO 18 -8.953 -4.584 -4.584 127 2HD PRO 18 HD1 PRO 18 -7.629 -5.710 -5.710 128 H LYS 19 HN LYS 19 -10.978 -4.350 -4.350 129 HA LYS 19 HA LYS 19 -12.124 -3.403 -3.403 130 1HB LYS 19 HB2 LYS 19 -12.641 -2.430 -2.430 131 2HB LYS 19 HB1 LYS 19 -12.965 -1.538 -1.538 132 1HG LYS 19 HG2 LYS 19 -10.284 -2.320 -2.320 133 2HG LYS 19 HG1 LYS 19 -10.856 -0.645 -0.645 134 1HD LYS 19 HD2 LYS 19 -10.246 -2.371 -2.371 135 2HD LYS 19 HD1 LYS 19 -9.297 -1.018 -1.018 136 1HE LYS 19 HE2 LYS 19 -12.238 -0.683 -0.683 137 2HE LYS 19 HE1 LYS 19 -10.928 -0.526 -0.526 138 1HZ LYS 19 HZ1 LYS 19 -9.829 1.038 1.038 139 2HZ LYS 19 HZ3 LYS 19 -11.193 0.980 0.980 140 3HZ LYS 19 HZ2 LYS 19 -11.326 1.612 1.612 141 H THR 20 HN THR 20 -12.694 -5.621 -5.621 142 HA THR 20 HA THR 20 -15.411 -6.073 -6.073 143 HB THR 20 HB THR 20 -15.652 -4.305 -4.305 144 HG1 THR 20 HG1 THR 20 -17.400 -5.221 -5.221 145 1HG2 THR 20 HG23 THR 20 -13.611 -5.032 -5.032 146 2HG2 THR 20 HG22 THR 20 -14.623 -6.283 -6.283 147 3HG2 THR 20 HG21 THR 20 -15.015 -4.582 -4.582 148 H ALA 21 HN ALA 21 -12.978 -7.168 -7.168 149 HA ALA 21 HA ALA 21 -14.251 -9.851 -9.851 150 1HB ALA 21 HB3 ALA 21 -13.334 -8.477 -8.477 151 2HB ALA 21 HB2 ALA 21 -11.761 -9.076 -9.076 152 3HB ALA 21 HB1 ALA 21 -13.024 -10.210 -10.210 153 H CYS 22 HN CYS 22 -12.443 -8.535 -8.535 154 HA CYS 22 HA CYS 22 -11.325 -10.884 -10.884 155 1HB CYS 22 HB2 CYS 22 -9.786 -10.616 -10.616 156 2HB CYS 22 HB1 CYS 22 -9.367 -9.068 -9.068 157 HG CYS 22 HG CYS 22 -7.631 -10.526 -10.526 158 H ASN 23 HN ASN 23 -12.775 -9.064 -9.064 159 HA ASN 23 HA ASN 23 -11.355 -6.784 -6.784 160 1HB ASN 23 HB2 ASN 23 -13.974 -7.558 -7.558 161 2HB ASN 23 HB1 ASN 23 -13.741 -7.796 -7.796 162 1HD2 ASN 23 HD22 ASN 23 -12.809 -3.995 -3.995 163 2HD2 ASN 23 HD21 ASN 23 -12.091 -5.339 -5.339 164 H ARG 24 HN ARG 24 -11.979 -6.674 -6.674 165 HA ARG 24 HA ARG 24 -11.213 -8.859 -8.859 166 1HB ARG 24 HB2 ARG 24 -8.807 -7.930 -7.930 167 2HB ARG 24 HB1 ARG 24 -9.170 -8.718 -8.718 168 1HG ARG 24 HG2 ARG 24 -9.739 -6.138 -6.138 169 2HG ARG 24 HG1 ARG 24 -8.376 -6.003 -6.003 170 1HD ARG 24 HD2 ARG 24 -7.284 -7.888 -7.888 171 2HD ARG 24 HD1 ARG 24 -8.520 -7.568 -7.568 172 HE ARG 24 HE ARG 24 -7.445 -5.076 -5.076 173 1HH1 ARG 24 HH11 ARG 24 -5.518 -7.642 -7.642 174 2HH1 ARG 24 HH12 ARG 24 -4.848 -6.895 -6.895 175 1HH2 ARG 24 HH21 ARG 24 -7.028 -4.193 -4.193 176 2HH2 ARG 24 HH22 ARG 24 -5.701 -4.941 -4.941 177 H CYS 25 HN CYS 25 -9.798 -5.633 -5.633 178 HA CYS 25 HA CYS 25 -10.364 -3.804 -3.804 179 1HB CYS 25 HB2 CYS 25 -12.834 -5.059 -5.059 180 2HB CYS 25 HB1 CYS 25 -12.986 -4.405 -4.405 181 HG CYS 25 HG CYS 25 -12.431 -2.828 -2.828 182 H HIS 26 HN HIS 26 -8.968 -5.865 -5.865 183 HA HIS 26 HA HIS 26 -9.553 -5.393 -5.393 184 1HB HIS 26 HB2 HIS 26 -9.810 -8.008 -8.008 185 2HB HIS 26 HB1 HIS 26 -11.120 -6.904 -6.904 186 HD1 HIS 26 HD1 HIS 26 -12.164 -9.383 -9.383 187 HD2 HIS 26 HD2 HIS 26 -9.201 -7.710 -7.710 188 HE1 HIS 26 HE1 HIS 26 -12.319 -10.536 -10.536 189 H CYS 27 HN CYS 27 -7.976 -8.075 -8.075 190 HA CYS 27 HA CYS 27 -5.596 -8.052 -8.052 191 1HB CYS 27 HB2 CYS 27 -4.974 -9.828 -9.828 192 2HB CYS 27 HB1 CYS 27 -6.780 -9.706 -9.706 193 HG CYS 27 HG CYS 27 -6.313 -9.643 -9.643 194 H LYS 28 HN LYS 28 -6.697 -6.001 -6.001 195 HA LYS 28 HA LYS 28 -4.194 -5.168 -5.168 196 1HB LYS 28 HB2 LYS 28 -6.883 -4.084 -4.084 197 2HB LYS 28 HB1 LYS 28 -5.789 -3.200 -3.200 198 1HG LYS 28 HG2 LYS 28 -6.943 -5.980 -5.980 199 2HG LYS 28 HG1 LYS 28 -7.152 -4.597 -4.597 200 1HD LYS 28 HD2 LYS 28 -5.405 -5.347 -5.347 201 2HD LYS 28 HD1 LYS 28 -4.385 -4.872 -4.872 202 1HE LYS 28 HE2 LYS 28 -4.693 -7.044 -7.044 203 2HE LYS 28 HE1 LYS 28 -5.725 -7.581 -7.581 204 1HZ LYS 28 HZ2 LYS 28 -3.792 -6.975 -6.975 205 2HZ LYS 28 HZ1 LYS 28 -2.862 -6.671 -6.671 206 3HZ LYS 28 HZ3 LYS 28 -3.408 -8.242 -8.242 207 H LYS 29 HN LYS 29 -5.901 -4.292 -4.292 208 HA LYS 29 HA LYS 29 -3.689 -2.547 -2.547 209 1HB LYS 29 HB2 LYS 29 -5.025 -0.553 -0.553 210 2HB LYS 29 HB1 LYS 29 -5.313 -1.245 -1.245 211 1HG LYS 29 HG2 LYS 29 -7.118 -1.639 -1.639 212 2HG LYS 29 HG1 LYS 29 -7.405 -0.494 -0.494 213 1HD LYS 29 HD2 LYS 29 -7.186 -2.631 -2.631 214 2HD LYS 29 HD1 LYS 29 -7.540 -3.506 -3.506 215 1HE LYS 29 HE2 LYS 29 -9.315 -1.368 -1.368 216 2HE LYS 29 HE1 LYS 29 -9.572 -3.147 -3.147 217 1HZ LYS 29 HZ1 LYS 29 -9.314 -3.087 -3.087 218 2HZ LYS 29 HZ3 LYS 29 -9.406 -1.393 -1.393 219 3HZ LYS 29 HZ2 LYS 29 -10.723 -2.331 -2.331 220 H CYS 30 HN CYS 30 -5.059 -5.056 -5.056 221 HA CYS 30 HA CYS 30 -6.812 -4.638 -4.638 222 1HB CYS 30 HB2 CYS 30 -6.044 -6.950 -6.950 223 2HB CYS 30 HB1 CYS 30 -6.407 -6.742 -6.742 224 HG CYS 30 HG CYS 30 -4.049 -7.989 -7.989 225 H CYS 31 HN CYS 31 -3.225 -4.985 -4.985 226 HA CYS 31 HA CYS 31 -2.800 -3.002 -3.002 227 1HB CYS 31 HB2 CYS 31 -4.064 -5.369 -5.369 228 2HB CYS 31 HB1 CYS 31 -2.420 -5.413 -5.413 229 HG CYS 31 HG CYS 31 -4.388 -3.726 -3.726 230 H TYR 32 HN TYR 32 -1.156 -3.234 -3.234 231 HA TYR 32 HA TYR 32 1.303 -4.411 -4.411 232 1HB TYR 32 HB2 TYR 32 1.653 -5.920 -5.920 233 2HB TYR 32 HB1 TYR 32 0.038 -6.212 -6.212 234 HD1 TYR 32 HD1 TYR 32 -1.774 -4.420 -4.420 235 HD2 TYR 32 HD2 TYR 32 1.863 -6.004 -6.004 236 HE1 TYR 32 HE1 TYR 32 -2.645 -4.044 -4.044 237 HE2 TYR 32 HE2 TYR 32 0.981 -5.628 -5.628 238 HH TYR 32 HH TYR 32 -1.890 -5.380 -5.380 239 H HIS 33 HN HIS 33 0.476 -1.748 -1.748 240 HA HIS 33 HA HIS 33 1.305 0.283 0.283 241 1HB HIS 33 HB2 HIS 33 3.493 -1.583 -1.583 242 2HB HIS 33 HB1 HIS 33 3.554 0.185 0.185 243 HD1 HIS 33 HD1 HIS 33 3.913 1.306 1.306 244 HD2 HIS 33 HD2 HIS 33 3.648 -2.847 -2.847 245 HE1 HIS 33 HE1 HIS 33 4.650 0.680 0.680 246 H CYS 34 HN CYS 34 -0.066 -2.028 -2.028 247 HA CYS 34 HA CYS 34 -0.905 -2.106 -2.106 248 1HB CYS 34 HB2 CYS 34 -0.549 0.848 0.848 249 2HB CYS 34 HB1 CYS 34 -1.643 0.108 0.108 250 HG CYS 34 HG CYS 34 -3.143 0.532 0.532 251 H GLN 35 HN GLN 35 1.121 -3.085 -3.085 252 HA GLN 35 HA GLN 35 2.986 -1.201 -1.201 253 1HB GLN 35 HB2 GLN 35 3.076 -4.200 -4.200 254 2HB GLN 35 HB1 GLN 35 4.385 -3.211 -3.211 255 1HG GLN 35 HG2 GLN 35 3.235 -3.068 -3.068 256 2HG GLN 35 HG1 GLN 35 4.892 -3.522 -3.522 257 1HE2 GLN 35 HE22 GLN 35 4.208 0.285 0.285 258 2HE2 GLN 35 HE21 GLN 35 3.188 -0.992 -0.992 259 H VAL 36 HN VAL 36 0.598 -3.729 -3.729 260 HA VAL 36 HA VAL 36 -0.366 -4.426 -4.426 261 HB VAL 36 HB VAL 36 0.835 -1.857 -1.857 262 1HG1 VAL 36 HG11 VAL 36 -0.600 -3.751 -3.751 263 2HG1 VAL 36 HG13 VAL 36 -1.872 -2.654 -2.654 264 3HG1 VAL 36 HG12 VAL 36 -0.538 -2.045 -2.045 265 1HG2 VAL 36 HG22 VAL 36 -1.705 -2.177 -2.177 266 2HG2 VAL 36 HG21 VAL 36 -0.323 -1.152 -1.152 267 3HG2 VAL 36 HG23 VAL 36 -1.338 -0.777 -0.777 268 H CYS 37 HN CYS 37 1.727 -5.923 -5.923 269 HA CYS 37 HA CYS 37 3.520 -7.096 -7.096 270 1HB CYS 37 HB2 CYS 37 1.638 -6.239 -6.239 271 2HB CYS 37 HB1 CYS 37 3.137 -7.066 -7.066 272 HG CYS 37 HG CYS 37 1.973 -9.137 -9.137 273 H PHE 38 HN PHE 38 4.665 -4.874 -4.874 274 HA PHE 38 HA PHE 38 5.814 -3.332 -3.332 275 1HB PHE 38 HB2 PHE 38 6.596 -1.859 -1.859 276 2HB PHE 38 HB1 PHE 38 4.978 -2.392 -2.392 277 HD1 PHE 38 HD1 PHE 38 6.006 -5.186 -5.186 278 HD2 PHE 38 HD2 PHE 38 7.423 -1.158 -1.158 279 HE1 PHE 38 HE1 PHE 38 7.016 -5.806 -5.806 280 HE2 PHE 38 HE2 PHE 38 8.443 -1.796 -1.796 281 HZ PHE 38 HZ PHE 38 8.228 -4.117 -4.117 282 H ILE 39 HN ILE 39 8.390 -2.987 -2.987 283 HA ILE 39 HA ILE 39 10.043 -4.693 -4.693 284 HB ILE 39 HB ILE 39 11.815 -3.908 -3.908 285 1HG1 ILE 39 HG12 ILE 39 9.838 -2.094 -2.094 286 2HG1 ILE 39 HG11 ILE 39 9.854 -3.691 -3.691 287 1HG2 ILE 39 HG21 ILE 39 10.152 -2.442 -2.442 288 2HG2 ILE 39 HG23 ILE 39 10.555 -1.381 -1.381 289 3HG2 ILE 39 HG22 ILE 39 11.839 -2.140 -2.140 290 1HD1 ILE 39 HD12 ILE 39 12.347 -2.045 -2.045 291 2HD1 ILE 39 HD11 ILE 39 11.403 -2.040 -2.040 292 3HD1 ILE 39 HD13 ILE 39 12.185 -3.524 -3.524 293 H THR 40 HN THR 40 8.971 -5.221 -5.221 294 HA THR 40 HA THR 40 10.417 -7.836 -7.836 295 HB THR 40 HB THR 40 9.078 -6.395 -6.395 296 HG1 THR 40 HG1 THR 40 11.767 -6.319 -6.319 297 1HG2 THR 40 HG23 THR 40 10.123 -8.974 -8.974 298 2HG2 THR 40 HG22 THR 40 11.415 -8.043 -8.043 299 3HG2 THR 40 HG21 THR 40 9.812 -8.089 -8.089 300 H LYS 41 HN LYS 41 9.287 -9.779 -9.779 301 HA LYS 41 HA LYS 41 6.472 -9.788 -9.788 302 1HB LYS 41 HB2 LYS 41 8.471 -11.908 -11.908 303 2HB LYS 41 HB1 LYS 41 6.815 -12.276 -12.276 304 1HG LYS 41 HG2 LYS 41 8.883 -10.738 -10.738 305 2HG LYS 41 HG1 LYS 41 8.412 -12.410 -12.410 306 1HD LYS 41 HD2 LYS 41 7.025 -11.304 -11.304 307 2HD LYS 41 HD1 LYS 41 5.972 -11.320 -11.320 308 1HE LYS 41 HE2 LYS 41 7.429 -8.958 -8.958 309 2HE LYS 41 HE1 LYS 41 7.291 -9.032 -9.032 310 1HZ LYS 41 HZ3 LYS 41 5.055 -9.561 -9.561 311 2HZ LYS 41 HZ2 LYS 41 5.430 -7.993 -7.993 312 3HZ LYS 41 HZ1 LYS 41 4.961 -9.185 -9.185 313 H GLY 42 HN GLY 42 8.079 -9.489 -9.489 314 1HA GLY 42 HA2 GLY 42 6.079 -10.820 -10.820 315 2HA GLY 42 HA1 GLY 42 7.325 -9.716 -9.716 316 H LEU 43 HN LEU 43 6.005 -8.015 -8.015 317 HA LEU 43 HA LEU 43 4.420 -6.299 -6.299 318 1HB LEU 43 HB2 LEU 43 2.930 -7.751 -7.751 319 2HB LEU 43 HB1 LEU 43 2.344 -6.675 -6.675 320 HG LEU 43 HG LEU 43 3.590 -9.359 -9.359 321 1HD1 LEU 43 HD11 LEU 43 1.158 -8.774 -8.774 322 2HD1 LEU 43 HD13 LEU 43 0.760 -8.946 -8.946 323 3HD1 LEU 43 HD12 LEU 43 1.568 -10.261 -10.261 324 1HD2 LEU 43 HD21 LEU 43 3.874 -7.567 -7.567 325 2HD2 LEU 43 HD23 LEU 43 2.904 -8.937 -8.937 326 3HD2 LEU 43 HD22 LEU 43 2.117 -7.430 -7.430 327 H GLY 44 HN GLY 44 6.675 -5.908 -5.908 328 1HA GLY 44 HA2 GLY 44 7.440 -4.395 -4.395 329 2HA GLY 44 HA1 GLY 44 5.941 -3.522 -3.522 330 H ILE 45 HN ILE 45 5.879 -6.826 -6.826 331 HA ILE 45 HA ILE 45 4.230 -6.078 -6.078 332 HB ILE 45 HB ILE 45 4.740 -8.510 -8.510 333 1HG1 ILE 45 HG12 ILE 45 5.594 -9.546 -9.546 334 2HG1 ILE 45 HG11 ILE 45 6.713 -8.194 -8.194 335 1HG2 ILE 45 HG22 ILE 45 3.495 -7.623 -7.623 336 2HG2 ILE 45 HG21 ILE 45 3.539 -9.338 -9.338 337 3HG2 ILE 45 HG23 ILE 45 2.716 -8.196 -8.196 338 1HD1 ILE 45 HD12 ILE 45 6.717 -9.296 -9.296 339 2HD1 ILE 45 HD11 ILE 45 6.205 -10.714 -10.714 340 3HD1 ILE 45 HD13 ILE 45 7.738 -9.929 -9.929 341 H SER 46 HN SER 46 7.604 -7.375 -7.375 342 HA SER 46 HA SER 46 8.514 -5.507 -5.507 343 1HB SER 46 HB2 SER 46 6.833 -7.214 -7.214 344 2HB SER 46 HB1 SER 46 8.198 -8.307 -8.307 345 HG SER 46 HG SER 46 7.951 -5.890 -5.890 346 H TYR 47 HN TYR 47 9.447 -6.947 -6.947 347 HA TYR 47 HA TYR 47 11.652 -8.680 -8.680 348 1HB TYR 47 HB2 TYR 47 12.134 -8.704 -8.704 349 2HB TYR 47 HB1 TYR 47 10.392 -8.824 -8.824 350 HD1 TYR 47 HD1 TYR 47 13.095 -6.358 -6.358 351 HD2 TYR 47 HD2 TYR 47 8.907 -7.278 -7.278 352 HE1 TYR 47 HE1 TYR 47 12.707 -4.359 -4.359 353 HE2 TYR 47 HE2 TYR 47 8.517 -5.290 -5.290 354 HH TYR 47 HH TYR 47 10.584 -3.805 -3.805 355 H GLY 48 HN GLY 48 11.227 -5.280 -5.280 356 1HA GLY 48 HA2 GLY 48 12.992 -3.862 -3.862 357 2HA GLY 48 HA1 GLY 48 14.197 -4.857 -4.857 358 H ARG 49 HN ARG 49 11.364 -2.797 -2.797 359 HA ARG 49 HA ARG 49 11.997 -2.419 -2.419 360 1HB ARG 49 HB2 ARG 49 10.326 -0.873 -0.873 361 2HB ARG 49 HB1 ARG 49 10.211 -0.751 -0.751 362 1HG ARG 49 HG2 ARG 49 9.435 -3.023 -3.023 363 2HG ARG 49 HG1 ARG 49 9.692 -3.269 -3.269 364 1HD ARG 49 HD2 ARG 49 7.371 -2.820 -2.820 365 2HD ARG 49 HD1 ARG 49 8.059 -1.274 -1.274 366 HE ARG 49 HE ARG 49 7.842 -1.859 -1.859 367 1HH1 ARG 49 HH21 ARG 49 8.262 0.498 0.498 368 2HH1 ARG 49 HH22 ARG 49 7.065 1.598 1.598 369 1HH2 ARG 49 HH11 ARG 49 5.767 -0.647 -0.647 370 2HH2 ARG 49 HH12 ARG 49 5.651 0.949 0.949 371 H LYS 50 HN LYS 50 12.596 -0.353 -0.353 372 HA LYS 50 HA LYS 50 14.388 1.290 1.290 373 1HB LYS 50 HB2 LYS 50 15.724 1.572 1.572 374 2HB LYS 50 HB1 LYS 50 15.644 -0.094 -0.094 375 1HG LYS 50 HG2 LYS 50 13.554 0.863 0.863 376 2HG LYS 50 HG1 LYS 50 15.158 0.544 0.544 377 1HD LYS 50 HD2 LYS 50 14.161 -1.597 -1.597 378 2HD LYS 50 HD1 LYS 50 13.125 -1.296 -1.296 379 1HE LYS 50 HE2 LYS 50 14.675 -2.926 -2.926 380 2HE LYS 50 HE1 LYS 50 15.216 -1.453 -1.453 381 1HZ LYS 50 HZ1 LYS 50 16.175 -2.328 -2.328 382 2HZ LYS 50 HZ3 LYS 50 17.026 -2.655 -2.655 383 3HZ LYS 50 HZ2 LYS 50 16.799 -1.048 -1.048 384 H LYS 51 HN LYS 51 11.910 1.200 1.200 385 HA LYS 51 HA LYS 51 10.539 3.533 3.533 386 1HB LYS 51 HB2 LYS 51 11.643 4.923 4.923 387 2HB LYS 51 HB1 LYS 51 12.368 5.106 5.106 388 1HG LYS 51 HG2 LYS 51 14.351 4.231 4.231 389 2HG LYS 51 HG1 LYS 51 13.483 2.894 2.894 390 1HD LYS 51 HD2 LYS 51 12.706 5.217 5.217 391 2HD LYS 51 HD1 LYS 51 14.443 5.340 5.340 392 1HE LYS 51 HE2 LYS 51 14.591 2.907 2.907 393 2HE LYS 51 HE1 LYS 51 12.906 3.093 3.093 394 1HZ LYS 51 HZ1 LYS 51 15.086 5.000 5.000 395 2HZ LYS 51 HZ3 LYS 51 14.562 3.749 3.749 396 3HZ LYS 51 HZ2 LYS 51 13.491 4.995 4.995 397 H ARG 52 HN ARG 52 10.114 4.617 4.617 398 HA ARG 52 HA ARG 52 9.002 2.346 2.346 399 1HB ARG 52 HB2 ARG 52 8.980 5.355 5.355 400 2HB ARG 52 HB1 ARG 52 8.230 4.333 4.333 401 1HG ARG 52 HG2 ARG 52 6.350 4.255 4.255 402 2HG ARG 52 HG1 ARG 52 7.412 3.285 3.285 403 1HD ARG 52 HD2 ARG 52 6.377 5.023 5.023 404 2HD ARG 52 HD1 ARG 52 8.184 5.013 5.013 405 HE ARG 52 HE ARG 52 8.113 6.904 6.904 406 1HH1 ARG 52 HH21 ARG 52 6.253 7.429 7.429 407 2HH1 ARG 52 HH22 ARG 52 4.906 8.205 8.205 408 1HH2 ARG 52 HH11 ARG 52 5.856 7.276 7.276 409 2HH2 ARG 52 HH12 ARG 52 4.681 8.117 8.117 410 H ARG 53 HN ARG 53 10.754 1.253 1.253 411 HA ARG 53 HA ARG 53 12.998 2.526 2.526 412 1HB ARG 53 HB2 ARG 53 12.566 0.062 0.062 413 2HB ARG 53 HB1 ARG 53 11.797 -0.105 -0.105 414 1HG ARG 53 HG2 ARG 53 14.460 1.195 1.195 415 2HG ARG 53 HG1 ARG 53 14.466 -0.485 -0.485 416 1HD ARG 53 HD2 ARG 53 13.503 -1.248 -1.248 417 2HD ARG 53 HD1 ARG 53 13.010 0.364 0.364 418 HE ARG 53 HE ARG 53 15.857 -0.599 -0.599 419 1HH1 ARG 53 HH11 ARG 53 14.776 2.418 2.418 420 2HH1 ARG 53 HH12 ARG 53 15.274 2.969 2.969 421 1HH2 ARG 53 HH21 ARG 53 15.957 -0.217 -0.217 422 2HH2 ARG 53 HH22 ARG 53 15.942 1.475 1.475 423 H GLN 54 HN GLN 54 9.733 2.541 2.541 424 HA GLN 54 HA GLN 54 9.843 2.279 2.279 425 1HB GLN 54 HB2 GLN 54 7.876 4.030 4.030 426 2HB GLN 54 HB1 GLN 54 7.678 3.003 3.003 427 1HG GLN 54 HG2 GLN 54 6.862 1.348 1.348 428 2HG GLN 54 HG1 GLN 54 8.463 1.216 1.216 429 1HE2 GLN 54 HE22 GLN 54 7.071 1.961 1.961 430 2HE2 GLN 54 HE21 GLN 54 8.016 0.891 0.891 431 H ARG 55 HN ARG 55 10.077 5.063 5.063 432 HA ARG 55 HA ARG 55 10.857 7.257 7.257 433 1HB ARG 55 HB2 ARG 55 12.246 5.803 5.803 434 2HB ARG 55 HB1 ARG 55 12.607 7.431 7.431 435 1HG ARG 55 HG2 ARG 55 13.325 6.689 6.689 436 2HG ARG 55 HG1 ARG 55 12.652 5.082 5.082 437 1HD ARG 55 HD2 ARG 55 15.057 4.943 4.943 438 2HD ARG 55 HD1 ARG 55 14.269 4.780 4.780 439 HE ARG 55 HE ARG 55 14.786 7.565 7.565 440 1HH1 ARG 55 HH11 ARG 55 15.317 5.579 5.579 441 2HH1 ARG 55 HH12 ARG 55 16.994 5.935 5.935 442 1HH2 ARG 55 HH21 ARG 55 17.364 7.625 7.625 443 2HH2 ARG 55 HH22 ARG 55 18.155 7.097 7.097 444 H ARG 56 HN ARG 56 8.303 6.363 6.363 445 HA ARG 56 HA ARG 56 7.848 8.704 8.704 446 1HB ARG 56 HB2 ARG 56 7.432 7.500 7.500 447 2HB ARG 56 HB1 ARG 56 9.031 7.037 7.037 448 1HG ARG 56 HG2 ARG 56 7.572 5.129 5.129 449 2HG ARG 56 HG1 ARG 56 6.495 5.474 5.474 450 1HD ARG 56 HD2 ARG 56 8.789 5.335 5.335 451 2HD ARG 56 HD1 ARG 56 9.203 4.265 4.265 452 HE ARG 56 HE ARG 56 6.546 3.780 3.780 453 1HH1 ARG 56 HH21 ARG 56 7.704 1.483 1.483 454 2HH1 ARG 56 HH22 ARG 56 8.444 0.612 0.612 455 1HH2 ARG 56 HH11 ARG 56 8.452 3.332 3.332 456 2HH2 ARG 56 HH12 ARG 56 8.868 1.662 1.662 457 H ARG 57 HN ARG 57 6.684 7.546 7.546 458 HA ARG 57 HA ARG 57 4.268 6.122 6.122 459 1HB ARG 57 HB2 ARG 57 5.532 6.700 6.700 460 2HB ARG 57 HB1 ARG 57 4.703 8.262 8.262 461 1HG ARG 57 HG2 ARG 57 3.336 6.860 6.860 462 2HG ARG 57 HG1 ARG 57 2.543 6.876 6.876 463 1HD ARG 57 HD2 ARG 57 3.017 4.730 4.730 464 2HD ARG 57 HD1 ARG 57 4.581 4.748 4.748 465 HE ARG 57 HE ARG 57 1.920 4.346 4.346 466 1HH1 ARG 57 HH21 ARG 57 3.290 6.056 6.056 467 2HH1 ARG 57 HH22 ARG 57 4.273 4.969 4.969 468 1HH2 ARG 57 HH11 ARG 57 4.064 2.388 2.388 469 2HH2 ARG 57 HH12 ARG 57 4.711 2.886 2.886 470 HA PRO 58 HA PRO 58 2.120 10.428 10.428 471 1HB PRO 58 HB2 PRO 58 3.674 12.520 12.520 472 2HB PRO 58 HB1 PRO 58 3.404 12.145 12.145 473 1HG PRO 58 HG2 PRO 58 5.730 11.468 11.468 474 2HG PRO 58 HG1 PRO 58 5.706 12.041 12.041 475 1HD PRO 58 HD2 PRO 58 6.114 9.538 9.538 476 2HD PRO 58 HD1 PRO 58 5.385 9.887 9.887 477 H SER 59 HN SER 59 4.642 9.306 9.306 478 HA SER 59 HA SER 59 3.230 10.366 10.366 479 1HB SER 59 HB2 SER 59 5.848 8.925 8.925 480 2HB SER 59 HB1 SER 59 5.272 9.273 9.273 481 HG SER 59 HG SER 59 6.146 11.019 11.019 482 H GLN 60 HN GLN 60 2.230 8.963 8.963 483 HA GLN 60 HA GLN 60 2.305 6.051 6.051 484 1HB GLN 60 HB2 GLN 60 -0.029 5.851 5.851 485 2HB GLN 60 HB1 GLN 60 0.525 7.089 7.089 486 1HG GLN 60 HG2 GLN 60 -0.779 7.583 7.583 487 2HG GLN 60 HG1 GLN 60 -1.637 7.529 7.529 488 1HE2 GLN 60 HE22 GLN 60 0.357 10.544 10.544 489 2HE2 GLN 60 HE21 GLN 60 0.354 8.912 8.912 490 H GLY 61 HN GLY 61 0.746 8.607 8.607 491 1HA GLY 61 HA2 GLY 61 0.761 8.820 8.820 492 2HA GLY 61 HA1 GLY 61 1.437 7.150 7.150 493 H GLY 62 HN GLY 62 -1.379 8.454 8.454 494 1HA GLY 62 HA2 GLY 62 -3.609 7.704 7.704 495 2HA GLY 62 HA1 GLY 62 -3.357 7.360 7.360 496 H GLN 63 HN GLN 63 -1.318 5.921 5.921 497 HA GLN 63 HA GLN 63 -1.976 3.293 3.293 498 1HB GLN 63 HB2 GLN 63 0.295 4.057 4.057 499 2HB GLN 63 HB1 GLN 63 -0.358 4.079 4.079 500 1HG GLN 63 HG2 GLN 63 0.186 2.008 2.008 501 2HG GLN 63 HG1 GLN 63 -1.052 1.631 1.631 502 1HE2 GLN 63 HE22 GLN 63 1.047 0.681 0.681 503 2HE2 GLN 63 HE21 GLN 63 -0.553 0.925 0.925 504 H THR 64 HN THR 64 -3.404 5.255 5.255 505 HA THR 64 HA THR 64 -4.935 4.776 4.776 506 HB THR 64 HB THR 64 -4.831 1.933 1.933 507 HG1 THR 64 HG1 THR 64 -5.966 2.472 2.472 508 1HG2 THR 64 HG23 THR 64 -6.984 3.645 3.645 509 2HG2 THR 64 HG22 THR 64 -7.249 2.011 2.011 510 3HG2 THR 64 HG21 THR 64 -6.154 2.281 2.281 511 H HIS 65 HN HIS 65 -2.336 4.970 4.970 512 HA HIS 65 HA HIS 65 -1.063 2.714 2.714 513 1HB HIS 65 HB2 HIS 65 -0.679 5.518 5.518 514 2HB HIS 65 HB1 HIS 65 0.147 5.133 5.133 515 HD1 HIS 65 HD1 HIS 65 2.149 5.769 5.769 516 HD2 HIS 65 HD2 HIS 65 0.333 2.058 2.058 517 HE1 HIS 65 HE1 HIS 65 3.678 4.379 4.379 518 H GLN 66 HN GLN 66 -3.836 3.842 3.842 519 HA GLN 66 HA GLN 66 -4.900 3.823 3.823 520 1HB GLN 66 HB2 GLN 66 -2.276 2.525 2.525 521 2HB GLN 66 HB1 GLN 66 -3.606 2.579 2.579 522 1HG GLN 66 HG2 GLN 66 -4.420 0.737 0.737 523 2HG GLN 66 HG1 GLN 66 -4.700 1.675 1.675 524 1HE2 GLN 66 HE22 GLN 66 -1.712 0.503 0.503 525 2HE2 GLN 66 HE21 GLN 66 -2.842 1.769 1.769 526 H ASP 67 HN ASP 67 -1.507 4.621 4.621 527 HA ASP 67 HA ASP 67 -2.351 6.462 6.462 528 1HB ASP 67 HB2 ASP 67 -0.351 5.151 5.151 529 2HB ASP 67 HB1 ASP 67 0.255 5.853 5.853 530 HA PRO 68 HA PRO 68 -0.857 9.861 9.861 531 1HB PRO 68 HB2 PRO 68 -0.539 9.295 9.295 532 2HB PRO 68 HB1 PRO 68 0.766 9.105 9.105 533 1HG PRO 68 HG2 PRO 68 -0.997 6.954 6.954 534 2HG PRO 68 HG1 PRO 68 0.682 6.839 6.839 535 1HD PRO 68 HD2 PRO 68 -1.587 6.053 6.053 536 2HD PRO 68 HD1 PRO 68 0.059 6.043 6.043 537 H ILE 69 HN ILE 69 -3.080 7.556 7.556 538 HA ILE 69 HA ILE 69 -4.815 9.912 9.912 539 HB ILE 69 HB ILE 69 -5.134 9.047 9.047 540 1HG1 ILE 69 HG12 ILE 69 -5.934 6.801 6.801 541 2HG1 ILE 69 HG11 ILE 69 -4.346 6.575 6.575 542 1HG2 ILE 69 HG22 ILE 69 -2.640 9.508 9.508 543 2HG2 ILE 69 HG21 ILE 69 -2.460 7.763 7.763 544 3HG2 ILE 69 HG23 ILE 69 -3.005 8.760 8.760 545 1HD1 ILE 69 HD13 ILE 69 -4.604 6.428 6.428 546 2HD1 ILE 69 HD12 ILE 69 -4.635 5.055 5.055 547 3HD1 ILE 69 HD11 ILE 69 -3.204 6.086 6.086 548 HA PRO 70 HA PRO 70 -7.143 6.432 6.432 549 1HB PRO 70 HB2 PRO 70 -7.408 7.687 7.687 550 2HB PRO 70 HB1 PRO 70 -6.137 6.505 6.505 551 1HG PRO 70 HG2 PRO 70 -6.114 9.515 9.515 552 2HG PRO 70 HG1 PRO 70 -4.874 8.395 8.395 553 1HD PRO 70 HD2 PRO 70 -4.631 9.663 9.663 554 2HD PRO 70 HD1 PRO 70 -4.023 7.995 7.995 555 H LYS 71 HN LYS 71 -7.336 9.801 9.801 556 HA LYS 71 HA LYS 71 -10.127 10.108 10.108 557 1HB LYS 71 HB2 LYS 71 -9.794 12.389 12.389 558 2HB LYS 71 HB1 LYS 71 -8.539 11.944 11.944 559 1HG LYS 71 HG2 LYS 71 -7.477 11.084 11.084 560 2HG LYS 71 HG1 LYS 71 -8.314 12.600 12.600 561 1HD LYS 71 HD2 LYS 71 -6.176 13.181 13.181 562 2HD LYS 71 HD1 LYS 71 -7.098 13.632 13.632 563 1HE LYS 71 HE2 LYS 71 -6.337 11.485 11.485 564 2HE LYS 71 HE1 LYS 71 -5.409 11.114 11.114 565 1HZ LYS 71 HZ1 LYS 71 -5.117 13.597 13.597 566 2HZ LYS 71 HZ3 LYS 71 -4.069 12.266 12.266 567 3HZ LYS 71 HZ2 LYS 71 -4.192 13.156 13.156 568 H GLN 72 HN GLN 72 -8.353 9.641 9.641 569 HA GLN 72 HA GLN 72 -10.712 8.595 8.595 570 1HB GLN 72 HB2 GLN 72 -10.316 10.689 10.689 571 2HB GLN 72 HB1 GLN 72 -11.525 10.690 10.690 572 1HG GLN 72 HG2 GLN 72 -10.421 12.702 12.702 573 2HG GLN 72 HG1 GLN 72 -9.695 11.816 11.816 574 1HE2 GLN 72 HE22 GLN 72 -6.526 11.656 11.656 575 2HE2 GLN 72 HE21 GLN 72 -7.403 10.724 10.724 576 HA PRO 73 HA PRO 73 -7.621 7.047 7.047 577 1HB PRO 73 HB2 PRO 73 -8.733 7.281 7.281 578 2HB PRO 73 HB1 PRO 73 -9.280 6.085 6.085 579 1HG PRO 73 HG2 PRO 73 -10.469 8.753 8.753 580 2HG PRO 73 HG1 PRO 73 -11.283 7.193 7.193 581 1HD PRO 73 HD2 PRO 73 -11.186 9.085 9.085 582 2HD PRO 73 HD1 PRO 73 -11.144 7.362 7.362 583 H SER 74 HN SER 74 -9.142 10.023 10.023 584 HA SER 74 HA SER 74 -8.226 11.974 11.974 585 1HB SER 74 HB2 SER 74 -7.213 11.429 11.429 586 2HB SER 74 HB1 SER 74 -5.702 11.406 11.406 587 HG SER 74 HG SER 74 -5.792 13.437 13.437 588 H SER 75 HN SER 75 -7.806 9.591 9.591 589 HA SER 75 HA SER 75 -5.977 10.494 10.494 590 1HB SER 75 HB2 SER 75 -4.736 9.370 9.370 591 2HB SER 75 HB1 SER 75 -4.480 8.251 8.251 592 HG SER 75 HG SER 75 -3.308 9.672 9.672 593 H GLN 76 HN GLN 76 -7.639 7.772 7.772 594 HA GLN 76 HA GLN 76 -7.451 6.091 6.091 595 1HB GLN 76 HB2 GLN 76 -8.801 5.697 5.697 596 2HB GLN 76 HB1 GLN 76 -8.540 4.504 4.504 597 1HG GLN 76 HG2 GLN 76 -6.582 4.002 4.002 598 2HG GLN 76 HG1 GLN 76 -5.997 5.467 5.467 599 1HE2 GLN 76 HE22 GLN 76 -5.774 7.162 7.162 600 2HE2 GLN 76 HE21 GLN 76 -5.534 7.221 7.221 601 HA PRO 77 HA PRO 77 -12.143 7.165 7.165 602 1HB PRO 77 HB2 PRO 77 -12.761 9.722 9.722 603 2HB PRO 77 HB1 PRO 77 -12.742 8.362 8.362 604 1HG PRO 77 HG2 PRO 77 -10.748 10.485 10.485 605 2HG PRO 77 HG1 PRO 77 -11.230 9.674 9.674 606 1HD PRO 77 HD2 PRO 77 -9.056 9.232 9.232 607 2HD PRO 77 HD1 PRO 77 -9.559 8.182 8.182 608 H ARG 78 HN ARG 78 -9.603 9.446 9.446 609 HA ARG 78 HA ARG 78 -10.999 10.217 10.217 610 1HB ARG 78 HB2 ARG 78 -9.886 12.410 12.410 611 2HB ARG 78 HB1 ARG 78 -10.830 11.987 11.987 612 1HG ARG 78 HG2 ARG 78 -8.694 11.071 11.071 613 2HG ARG 78 HG1 ARG 78 -7.845 11.787 11.787 614 1HD ARG 78 HD2 ARG 78 -8.717 14.008 14.008 615 2HD ARG 78 HD1 ARG 78 -9.616 13.284 13.284 616 HE ARG 78 HE ARG 78 -6.892 12.415 12.415 617 1HH1 ARG 78 HH11 ARG 78 -6.315 15.250 15.250 618 2HH1 ARG 78 HH12 ARG 78 -6.359 16.012 16.012 619 1HH2 ARG 78 HH21 ARG 78 -8.042 13.383 13.383 620 2HH2 ARG 78 HH22 ARG 78 -7.340 14.950 14.950 621 H GLY 79 HN GLY 79 -7.900 9.389 9.389 622 1HA GLY 79 HA2 GLY 79 -6.390 9.595 9.595 623 2HA GLY 79 HA1 GLY 79 -5.793 9.082 9.082 624 H ASP 80 HN ASP 80 -5.159 7.013 7.013 625 HA ASP 80 HA ASP 80 -6.026 5.092 5.092 626 1HB ASP 80 HB2 ASP 80 -4.329 4.960 4.960 627 2HB ASP 80 HB1 ASP 80 -4.573 3.582 3.582 628 HA PRO 81 HA PRO 81 -9.635 4.019 4.019 629 1HB PRO 81 HB2 PRO 81 -10.636 2.194 2.194 630 2HB PRO 81 HB1 PRO 81 -10.836 3.949 3.949 631 1HG PRO 81 HG2 PRO 81 -8.839 2.130 2.130 632 2HG PRO 81 HG1 PRO 81 -9.798 3.441 3.441 633 1HD PRO 81 HD2 PRO 81 -7.213 3.759 3.759 634 2HD PRO 81 HD1 PRO 81 -8.399 5.078 5.078 635 H THR 82 HN THR 82 -8.946 2.775 2.775 636 HA THR 82 HA THR 82 -7.416 0.313 0.313 637 HB THR 82 HB THR 82 -8.625 1.060 1.060 638 HG1 THR 82 HG1 THR 82 -6.520 2.484 2.484 639 1HG2 THR 82 HG23 THR 82 -7.045 -0.844 -0.844 640 2HG2 THR 82 HG22 THR 82 -5.823 0.278 0.278 641 3HG2 THR 82 HG21 THR 82 -6.403 0.406 0.406 642 H GLY 83 HN GLY 83 -10.628 1.061 1.061 643 1HA GLY 83 HA2 GLY 83 -11.701 -1.423 -1.423 644 2HA GLY 83 HA1 GLY 83 -11.504 -1.464 -1.464 645 HA PRO 84 HA PRO 84 -15.440 0.675 0.675 646 1HB PRO 84 HB2 PRO 84 -15.912 0.565 0.565 647 2HB PRO 84 HB1 PRO 84 -15.985 -0.846 -0.846 648 1HG PRO 84 HG2 PRO 84 -14.004 -0.184 -0.184 649 2HG PRO 84 HG1 PRO 84 -14.261 -1.719 -1.719 650 1HD PRO 84 HD2 PRO 84 -12.418 0.481 0.481 651 2HD PRO 84 HD1 PRO 84 -12.171 -1.133 -1.133 652 H LYS 85 HN LYS 85 -12.653 2.214 2.214 653 HA LYS 85 HA LYS 85 -13.901 4.445 4.445 654 1HB LYS 85 HB2 LYS 85 -11.603 5.300 5.300 655 2HB LYS 85 HB1 LYS 85 -11.381 3.580 3.580 656 1HG LYS 85 HG2 LYS 85 -11.386 3.712 3.712 657 2HG LYS 85 HG1 LYS 85 -10.310 4.910 4.910 658 1HD LYS 85 HD2 LYS 85 -10.533 1.949 1.949 659 2HD LYS 85 HD1 LYS 85 -9.376 2.656 2.656 660 1HE LYS 85 HE2 LYS 85 -8.000 3.263 3.263 661 2HE LYS 85 HE1 LYS 85 -9.324 4.138 4.138 662 1HZ LYS 85 HZ1 LYS 85 -10.134 1.844 1.844 663 2HZ LYS 85 HZ3 LYS 85 -8.645 1.244 1.244 664 3HZ LYS 85 HZ2 LYS 85 -8.692 2.344 2.344 665 H GLU 86 HN GLU 86 -13.984 3.635 3.635 666 HA GLU 86 HA GLU 86 -13.175 6.093 6.093 667 1HB GLU 86 HB2 GLU 86 -15.008 3.802 3.802 668 2HB GLU 86 HB1 GLU 86 -14.451 5.056 5.056 669 1HG GLU 86 HG2 GLU 86 -12.122 4.415 4.415 670 2HG GLU 86 HG1 GLU 86 -12.735 3.129 3.129 Start of MODEL 10 1 1H LEU 1 HT3 LEU 1 13.459 -12.396 -12.396 2 2H LEU 1 HT2 LEU 1 11.883 -13.028 -13.028 3 3H LEU 1 HT1 LEU 1 12.576 -12.477 -12.477 4 HA LEU 1 HA LEU 1 11.087 -10.778 -10.778 5 1HB LEU 1 HB2 LEU 1 11.105 -9.971 -9.971 6 2HB LEU 1 HB1 LEU 1 10.877 -11.725 -11.725 7 HG LEU 1 HG LEU 1 13.706 -10.930 -10.930 8 1HD1 LEU 1 HD11 LEU 1 11.782 -10.079 -10.079 9 2HD1 LEU 1 HD13 LEU 1 13.479 -10.412 -10.412 10 3HD1 LEU 1 HD12 LEU 1 13.044 -9.126 -9.126 11 1HD2 LEU 1 HD22 LEU 1 11.884 -12.857 -12.857 12 2HD2 LEU 1 HD21 LEU 1 13.274 -13.199 -13.199 13 3HD2 LEU 1 HD23 LEU 1 13.517 -12.555 -12.555 14 H ASP 2 HN ASP 2 11.706 -8.423 -8.423 15 HA ASP 2 HA ASP 2 13.026 -6.569 -6.569 16 1HB ASP 2 HB2 ASP 2 14.056 -7.962 -7.962 17 2HB ASP 2 HB1 ASP 2 15.448 -7.931 -7.931 18 HA PRO 3 HA PRO 3 15.188 -8.673 -8.673 19 1HB PRO 3 HB2 PRO 3 13.226 -8.670 -8.670 20 2HB PRO 3 HB1 PRO 3 13.454 -9.988 -9.988 21 1HG PRO 3 HG2 PRO 3 11.339 -7.951 -7.951 22 2HG PRO 3 HG1 PRO 3 11.359 -9.532 -9.532 23 1HD PRO 3 HD2 PRO 3 11.860 -6.917 -6.917 24 2HD PRO 3 HD1 PRO 3 11.673 -8.457 -8.457 25 H VAL 4 HN VAL 4 12.714 -6.689 -6.689 26 HA VAL 4 HA VAL 4 14.659 -4.738 -4.738 27 HB VAL 4 HB VAL 4 11.649 -5.132 -5.132 28 1HG1 VAL 4 HG11 VAL 4 13.149 -2.749 -2.749 29 2HG1 VAL 4 HG13 VAL 4 11.527 -3.221 -3.221 30 3HG1 VAL 4 HG12 VAL 4 11.818 -2.717 -2.717 31 1HG2 VAL 4 HG21 VAL 4 13.861 -5.787 -5.787 32 2HG2 VAL 4 HG23 VAL 4 12.192 -6.356 -6.356 33 3HG2 VAL 4 HG22 VAL 4 12.625 -4.862 -4.862 34 H ASP 5 HN ASP 5 11.813 -4.568 -4.568 35 HA ASP 5 HA ASP 5 13.172 -2.915 -2.915 36 1HB ASP 5 HB2 ASP 5 11.424 -1.803 -1.803 37 2HB ASP 5 HB1 ASP 5 10.852 -1.422 -1.422 38 HA PRO 6 HA PRO 6 9.215 -4.766 -4.766 39 1HB PRO 6 HB2 PRO 6 6.887 -4.642 -4.642 40 2HB PRO 6 HB1 PRO 6 7.523 -3.252 -3.252 41 1HG PRO 6 HG2 PRO 6 7.345 -3.624 -3.624 42 2HG PRO 6 HG1 PRO 6 7.670 -2.152 -2.152 43 1HD PRO 6 HD2 PRO 6 9.452 -3.992 -3.992 44 2HD PRO 6 HD1 PRO 6 9.685 -2.301 -2.301 45 H ASN 7 HN ASN 7 7.336 -6.678 -6.678 46 HA ASN 7 HA ASN 7 8.971 -8.717 -8.717 47 1HB ASN 7 HB2 ASN 7 6.110 -8.564 -8.564 48 2HB ASN 7 HB1 ASN 7 6.803 -10.038 -10.038 49 1HD2 ASN 7 HD22 ASN 7 7.675 -9.112 -9.112 50 2HD2 ASN 7 HD21 ASN 7 6.533 -8.228 -8.228 51 H ILE 8 HN ILE 8 5.836 -7.208 -7.208 52 HA ILE 8 HA ILE 8 6.600 -7.608 -7.608 53 HB ILE 8 HB ILE 8 4.495 -8.576 -8.576 54 1HG1 ILE 8 HG12 ILE 8 3.066 -7.003 -7.003 55 2HG1 ILE 8 HG11 ILE 8 2.599 -8.674 -8.674 56 1HG2 ILE 8 HG22 ILE 8 5.359 -9.665 -9.665 57 2HG2 ILE 8 HG21 ILE 8 4.293 -10.495 -10.495 58 3HG2 ILE 8 HG23 ILE 8 5.967 -10.164 -10.164 59 1HD1 ILE 8 HD11 ILE 8 4.141 -8.673 -8.673 60 2HD1 ILE 8 HD13 ILE 8 4.000 -6.920 -6.920 61 3HD1 ILE 8 HD12 ILE 8 2.557 -7.910 -7.910 62 H GLU 9 HN GLU 9 6.313 -5.243 -5.243 63 HA GLU 9 HA GLU 9 5.555 -3.004 -3.004 64 1HB GLU 9 HB2 GLU 9 5.829 -3.867 -3.867 65 2HB GLU 9 HB1 GLU 9 5.240 -2.265 -2.265 66 1HG GLU 9 HG2 GLU 9 7.213 -1.685 -1.685 67 2HG GLU 9 HG1 GLU 9 7.822 -3.348 -3.348 68 HA PRO 10 HA PRO 10 1.144 -4.304 -4.304 69 1HB PRO 10 HB2 PRO 10 0.390 -4.622 -4.622 70 2HB PRO 10 HB1 PRO 10 1.030 -5.961 -5.961 71 1HG PRO 10 HG2 PRO 10 2.166 -4.304 -4.304 72 2HG PRO 10 HG1 PRO 10 2.621 -6.023 -6.023 73 1HD PRO 10 HD2 PRO 10 3.978 -3.594 -3.594 74 2HD PRO 10 HD1 PRO 10 4.377 -5.172 -5.172 75 H TRP 11 HN TRP 11 2.205 -1.617 -1.617 76 HA TRP 11 HA TRP 11 0.334 -0.333 -0.333 77 1HB TRP 11 HB2 TRP 11 2.789 0.670 0.670 78 2HB TRP 11 HB1 TRP 11 1.798 1.634 1.634 79 HD1 TRP 11 HD1 TRP 11 3.905 -1.575 -1.575 80 HE1 TRP 11 HE1 TRP 11 4.794 -1.754 -1.754 81 HE3 TRP 11 HE3 TRP 11 1.604 2.472 2.472 82 HZ2 TRP 11 HZ2 TRP 11 4.553 -0.352 -0.352 83 HZ3 TRP 11 HZ3 TRP 11 1.954 3.021 3.021 84 HH2 TRP 11 HH2 TRP 11 3.420 1.620 1.620 85 H ASN 12 HN ASN 12 -0.285 -1.485 -1.485 86 HA ASN 12 HA ASN 12 -1.484 0.982 0.982 87 1HB ASN 12 HB2 ASN 12 -1.131 -0.301 -0.301 88 2HB ASN 12 HB1 ASN 12 0.311 0.349 0.349 89 1HD2 ASN 12 HD22 ASN 12 1.594 -2.859 -2.859 90 2HD2 ASN 12 HD21 ASN 12 1.551 -1.236 -1.236 91 H HIS 13 HN HIS 13 -3.674 0.841 0.841 92 HA HIS 13 HA HIS 13 -4.917 -1.887 -1.887 93 1HB HIS 13 HB2 HIS 13 -5.539 0.605 0.605 94 2HB HIS 13 HB1 HIS 13 -6.607 -0.805 -0.805 95 HD1 HIS 13 HD1 HIS 13 -5.896 -2.780 -2.780 96 HD2 HIS 13 HD2 HIS 13 -2.951 0.158 0.158 97 HE1 HIS 13 HE1 HIS 13 -4.123 -3.401 -3.401 98 HA PRO 14 HA PRO 14 -6.907 0.067 0.067 99 1HB PRO 14 HB2 PRO 14 -8.122 -2.429 -2.429 100 2HB PRO 14 HB1 PRO 14 -6.504 -1.883 -1.883 101 1HG PRO 14 HG2 PRO 14 -7.561 -3.557 -3.557 102 2HG PRO 14 HG1 PRO 14 -6.206 -3.910 -3.910 103 1HD PRO 14 HD2 PRO 14 -5.751 -3.052 -3.052 104 2HD PRO 14 HD1 PRO 14 -4.739 -2.497 -2.497 105 H GLY 15 HN GLY 15 -8.188 -1.626 -1.626 106 1HA GLY 15 HA2 GLY 15 -10.165 -1.314 -1.314 107 2HA GLY 15 HA1 GLY 15 -10.655 -0.068 -0.068 108 H SER 16 HN SER 16 -9.569 -3.112 -3.112 109 HA SER 16 HA SER 16 -12.339 -4.175 -4.175 110 1HB SER 16 HB2 SER 16 -11.518 -2.724 -2.724 111 2HB SER 16 HB1 SER 16 -10.232 -3.923 -3.923 112 HG SER 16 HG SER 16 -12.060 -4.351 -4.351 113 H GLN 17 HN GLN 17 -9.223 -4.771 -4.771 114 HA GLN 17 HA GLN 17 -9.543 -7.694 -7.694 115 1HB GLN 17 HB2 GLN 17 -7.180 -5.956 -5.956 116 2HB GLN 17 HB1 GLN 17 -7.077 -7.671 -7.671 117 1HG GLN 17 HG2 GLN 17 -8.059 -8.511 -8.511 118 2HG GLN 17 HG1 GLN 17 -9.143 -7.143 -7.143 119 1HE2 GLN 17 HE22 GLN 17 -6.759 -5.274 -5.274 120 2HE2 GLN 17 HE21 GLN 17 -8.052 -5.076 -5.076 121 HA PRO 18 HA PRO 18 -6.731 -7.124 -7.124 122 1HB PRO 18 HB2 PRO 18 -5.793 -4.659 -4.659 123 2HB PRO 18 HB1 PRO 18 -4.933 -5.760 -5.760 124 1HG PRO 18 HG2 PRO 18 -6.728 -3.463 -3.463 125 2HG PRO 18 HG1 PRO 18 -5.154 -3.912 -3.912 126 1HD PRO 18 HD2 PRO 18 -7.531 -4.392 -4.392 127 2HD PRO 18 HD1 PRO 18 -6.131 -5.495 -5.495 128 H LYS 19 HN LYS 19 -9.324 -5.114 -5.114 129 HA LYS 19 HA LYS 19 -10.227 -4.929 -4.929 130 1HB LYS 19 HB2 LYS 19 -10.695 -2.829 -2.829 131 2HB LYS 19 HB1 LYS 19 -10.865 -2.639 -2.639 132 1HG LYS 19 HG2 LYS 19 -8.247 -3.260 -3.260 133 2HG LYS 19 HG1 LYS 19 -8.725 -1.578 -1.578 134 1HD LYS 19 HD2 LYS 19 -9.198 -2.802 -2.802 135 2HD LYS 19 HD1 LYS 19 -7.658 -3.471 -3.471 136 1HE LYS 19 HE2 LYS 19 -6.556 -1.521 -1.521 137 2HE LYS 19 HE1 LYS 19 -7.857 -0.550 -0.550 138 1HZ LYS 19 HZ1 LYS 19 -7.869 -1.812 -1.812 139 2HZ LYS 19 HZ3 LYS 19 -7.628 -0.162 -0.162 140 3HZ LYS 19 HZ2 LYS 19 -9.128 -0.879 -0.879 141 H THR 20 HN THR 20 -10.785 -6.612 -6.612 142 HA THR 20 HA THR 20 -13.728 -6.593 -6.593 143 HB THR 20 HB THR 20 -12.135 -5.646 -5.646 144 HG1 THR 20 HG1 THR 20 -12.974 -3.856 -3.856 145 1HG2 THR 20 HG21 THR 20 -14.685 -7.152 -7.152 146 2HG2 THR 20 HG23 THR 20 -14.684 -5.673 -5.673 147 3HG2 THR 20 HG22 THR 20 -13.502 -6.940 -6.940 148 H ALA 21 HN ALA 21 -10.866 -7.850 -7.850 149 HA ALA 21 HA ALA 21 -12.247 -10.194 -10.194 150 1HB ALA 21 HB2 ALA 21 -9.335 -9.426 -9.426 151 2HB ALA 21 HB1 ALA 21 -9.916 -10.818 -10.818 152 3HB ALA 21 HB3 ALA 21 -10.381 -9.191 -9.191 153 H CYS 22 HN CYS 22 -12.672 -10.241 -10.241 154 HA CYS 22 HA CYS 22 -12.313 -11.574 -11.574 155 1HB CYS 22 HB2 CYS 22 -12.948 -12.923 -12.923 156 2HB CYS 22 HB1 CYS 22 -11.614 -13.917 -13.917 157 HG CYS 22 HG CYS 22 -13.954 -14.650 -14.650 158 H ASN 23 HN ASN 23 -9.979 -10.159 -10.159 159 HA ASN 23 HA ASN 23 -7.634 -11.844 -11.844 160 1HB ASN 23 HB2 ASN 23 -6.523 -9.679 -9.679 161 2HB ASN 23 HB1 ASN 23 -8.110 -9.482 -9.482 162 1HD2 ASN 23 HD22 ASN 23 -9.475 -7.281 -7.281 163 2HD2 ASN 23 HD21 ASN 23 -9.816 -8.336 -8.336 164 H ARG 24 HN ARG 24 -9.269 -10.022 -10.022 165 HA ARG 24 HA ARG 24 -8.066 -11.661 -11.661 166 1HB ARG 24 HB2 ARG 24 -6.519 -10.119 -10.119 167 2HB ARG 24 HB1 ARG 24 -6.207 -10.062 -10.062 168 1HG ARG 24 HG2 ARG 24 -7.980 -8.091 -8.091 169 2HG ARG 24 HG1 ARG 24 -7.561 -8.057 -8.057 170 1HD ARG 24 HD2 ARG 24 -5.387 -7.442 -7.442 171 2HD ARG 24 HD1 ARG 24 -5.350 -8.205 -8.205 172 HE ARG 24 HE ARG 24 -7.179 -6.310 -6.310 173 1HH1 ARG 24 HH11 ARG 24 -3.864 -6.218 -6.218 174 2HH1 ARG 24 HH12 ARG 24 -3.745 -4.500 -4.500 175 1HH2 ARG 24 HH21 ARG 24 -7.181 -4.006 -4.006 176 2HH2 ARG 24 HH22 ARG 24 -5.623 -3.247 -3.247 177 H CYS 25 HN CYS 25 -8.460 -10.446 -10.446 178 HA CYS 25 HA CYS 25 -10.444 -8.451 -8.451 179 1HB CYS 25 HB2 CYS 25 -11.687 -10.415 -10.415 180 2HB CYS 25 HB1 CYS 25 -11.344 -11.197 -11.197 181 HG CYS 25 HG CYS 25 -12.852 -9.113 -9.113 182 H HIS 26 HN HIS 26 -8.072 -9.447 -9.447 183 HA HIS 26 HA HIS 26 -9.132 -9.835 -9.835 184 1HB HIS 26 HB2 HIS 26 -7.298 -11.992 -11.992 185 2HB HIS 26 HB1 HIS 26 -9.043 -12.102 -12.102 186 HD1 HIS 26 HD1 HIS 26 -10.345 -13.209 -13.209 187 HD2 HIS 26 HD2 HIS 26 -6.730 -11.686 -11.686 188 HE1 HIS 26 HE1 HIS 26 -10.176 -13.827 -13.827 189 H CYS 27 HN CYS 27 -6.104 -10.390 -10.390 190 HA CYS 27 HA CYS 27 -4.461 -9.193 -9.193 191 1HB CYS 27 HB2 CYS 27 -4.095 -10.568 -10.568 192 2HB CYS 27 HB1 CYS 27 -2.782 -9.545 -9.545 193 HG CYS 27 HG CYS 27 -2.270 -11.757 -11.757 194 H LYS 28 HN LYS 28 -6.233 -8.001 -8.001 195 HA LYS 28 HA LYS 28 -4.540 -5.784 -5.784 196 1HB LYS 28 HB2 LYS 28 -6.033 -6.570 -6.570 197 2HB LYS 28 HB1 LYS 28 -7.319 -6.722 -6.722 198 1HG LYS 28 HG2 LYS 28 -7.354 -4.128 -4.128 199 2HG LYS 28 HG1 LYS 28 -6.310 -4.175 -4.175 200 1HD LYS 28 HD2 LYS 28 -8.651 -3.871 -3.871 201 2HD LYS 28 HD1 LYS 28 -8.099 -5.463 -5.463 202 1HE LYS 28 HE2 LYS 28 -9.069 -6.277 -6.277 203 2HE LYS 28 HE1 LYS 28 -9.985 -4.763 -4.763 204 1HZ LYS 28 HZ3 LYS 28 -10.695 -5.385 -5.385 205 2HZ LYS 28 HZ2 LYS 28 -9.819 -6.838 -6.838 206 3HZ LYS 28 HZ1 LYS 28 -11.155 -6.569 -6.569 207 H LYS 29 HN LYS 29 -6.950 -6.272 -6.272 208 HA LYS 29 HA LYS 29 -6.526 -3.463 -3.463 209 1HB LYS 29 HB2 LYS 29 -8.849 -3.173 -3.173 210 2HB LYS 29 HB1 LYS 29 -8.749 -4.073 -4.073 211 1HG LYS 29 HG2 LYS 29 -9.196 -5.426 -5.426 212 2HG LYS 29 HG1 LYS 29 -10.481 -4.906 -4.906 213 1HD LYS 29 HD2 LYS 29 -9.175 -6.314 -6.314 214 2HD LYS 29 HD1 LYS 29 -8.413 -7.010 -7.010 215 1HE LYS 29 HE2 LYS 29 -11.430 -6.826 -6.826 216 2HE LYS 29 HE1 LYS 29 -10.593 -8.158 -8.158 217 1HZ LYS 29 HZ2 LYS 29 -9.310 -8.429 -8.429 218 2HZ LYS 29 HZ1 LYS 29 -10.409 -7.352 -7.352 219 3HZ LYS 29 HZ3 LYS 29 -10.957 -8.832 -8.832 220 H CYS 30 HN CYS 30 -5.350 -6.125 -6.125 221 HA CYS 30 HA CYS 30 -6.533 -6.836 -6.836 222 1HB CYS 30 HB2 CYS 30 -4.807 -8.500 -8.500 223 2HB CYS 30 HB1 CYS 30 -5.200 -8.223 -8.223 224 HG CYS 30 HG CYS 30 -2.653 -8.099 -8.099 225 H CYS 31 HN CYS 31 -5.969 -4.031 -4.031 226 HA CYS 31 HA CYS 31 -4.833 -2.347 -2.347 227 1HB CYS 31 HB2 CYS 31 -6.081 -3.984 -3.984 228 2HB CYS 31 HB1 CYS 31 -4.477 -4.503 -4.503 229 HG CYS 31 HG CYS 31 -5.602 -2.286 -2.286 230 H TYR 32 HN TYR 32 -2.923 -2.445 -2.445 231 HA TYR 32 HA TYR 32 -0.465 -3.065 -3.065 232 1HB TYR 32 HB2 TYR 32 0.398 -4.214 -4.214 233 2HB TYR 32 HB1 TYR 32 -0.844 -5.218 -5.218 234 HD1 TYR 32 HD1 TYR 32 -3.317 -4.279 -4.279 235 HD2 TYR 32 HD2 TYR 32 0.647 -4.366 -4.366 236 HE1 TYR 32 HE1 TYR 32 -4.269 -4.284 -4.284 237 HE2 TYR 32 HE2 TYR 32 -0.317 -4.381 -4.381 238 HH TYR 32 HH TYR 32 -3.023 -3.429 -3.429 239 H HIS 33 HN HIS 33 -1.623 -0.567 -0.567 240 HA HIS 33 HA HIS 33 -1.055 1.449 1.449 241 1HB HIS 33 HB2 HIS 33 1.584 -0.072 -0.072 242 2HB HIS 33 HB1 HIS 33 1.430 1.658 1.658 243 HD1 HIS 33 HD1 HIS 33 0.830 3.223 3.223 244 HD2 HIS 33 HD2 HIS 33 1.285 -0.782 -0.782 245 HE1 HIS 33 HE1 HIS 33 0.967 3.162 3.162 246 H CYS 34 HN CYS 34 -1.825 -1.096 -1.096 247 HA CYS 34 HA CYS 34 -2.138 -1.678 -1.678 248 1HB CYS 34 HB2 CYS 34 -1.439 1.230 1.230 249 2HB CYS 34 HB1 CYS 34 -2.241 0.292 0.292 250 HG CYS 34 HG CYS 34 -4.324 1.015 1.015 251 H GLN 35 HN GLN 35 -0.300 0.251 0.251 252 HA GLN 35 HA GLN 35 1.828 0.141 0.141 253 1HB GLN 35 HB2 GLN 35 2.598 -1.746 -1.746 254 2HB GLN 35 HB1 GLN 35 3.625 -0.798 -0.798 255 1HG GLN 35 HG2 GLN 35 3.013 1.306 1.306 256 2HG GLN 35 HG1 GLN 35 1.579 0.496 0.496 257 1HE2 GLN 35 HE22 GLN 35 2.887 -1.043 -1.043 258 2HE2 GLN 35 HE21 GLN 35 1.702 -1.204 -1.204 259 H VAL 36 HN VAL 36 -0.303 -2.427 -2.427 260 HA VAL 36 HA VAL 36 -0.512 -4.525 -4.525 261 HB VAL 36 HB VAL 36 0.107 -4.337 -4.337 262 1HG1 VAL 36 HG13 VAL 36 -2.005 -3.615 -3.615 263 2HG1 VAL 36 HG12 VAL 36 -1.353 -2.033 -2.033 264 3HG1 VAL 36 HG11 VAL 36 -1.422 -2.536 -2.536 265 1HG2 VAL 36 HG22 VAL 36 2.122 -2.902 -2.902 266 2HG2 VAL 36 HG21 VAL 36 0.868 -2.428 -2.428 267 3HG2 VAL 36 HG23 VAL 36 1.053 -1.550 -1.550 268 H CYS 37 HN CYS 37 1.134 -5.861 -5.861 269 HA CYS 37 HA CYS 37 3.210 -6.937 -6.937 270 1HB CYS 37 HB2 CYS 37 1.547 -8.089 -8.089 271 2HB CYS 37 HB1 CYS 37 2.837 -7.750 -7.750 272 HG CYS 37 HG CYS 37 4.070 -9.663 -9.663 273 H PHE 38 HN PHE 38 4.457 -4.863 -4.863 274 HA PHE 38 HA PHE 38 5.783 -4.110 -4.110 275 1HB PHE 38 HB2 PHE 38 6.583 -2.189 -2.189 276 2HB PHE 38 HB1 PHE 38 4.842 -2.539 -2.539 277 HD1 PHE 38 HD1 PHE 38 5.954 -5.061 -5.061 278 HD2 PHE 38 HD2 PHE 38 6.497 -0.800 -0.800 279 HE1 PHE 38 HE1 PHE 38 6.470 -5.060 -5.060 280 HE2 PHE 38 HE2 PHE 38 7.016 -0.807 -0.807 281 HZ PHE 38 HZ PHE 38 7.003 -2.936 -2.936 282 H ILE 39 HN ILE 39 8.196 -3.354 -3.354 283 HA ILE 39 HA ILE 39 10.030 -5.260 -5.260 284 HB ILE 39 HB ILE 39 11.513 -4.269 -4.269 285 1HG1 ILE 39 HG12 ILE 39 9.319 -2.323 -2.323 286 2HG1 ILE 39 HG11 ILE 39 9.259 -3.808 -3.808 287 1HG2 ILE 39 HG21 ILE 39 10.174 -2.976 -2.976 288 2HG2 ILE 39 HG23 ILE 39 10.640 -1.806 -1.806 289 3HG2 ILE 39 HG22 ILE 39 11.857 -2.856 -2.856 290 1HD1 ILE 39 HD11 ILE 39 11.859 -2.297 -2.297 291 2HD1 ILE 39 HD13 ILE 39 10.614 -1.702 -1.702 292 3HD1 ILE 39 HD12 ILE 39 11.286 -3.317 -3.317 293 H THR 40 HN THR 40 8.239 -5.377 -5.377 294 HA THR 40 HA THR 40 9.560 -8.013 -8.013 295 HB THR 40 HB THR 40 8.422 -5.884 -5.884 296 HG1 THR 40 HG1 THR 40 11.075 -6.732 -6.732 297 1HG2 THR 40 HG22 THR 40 8.716 -8.612 -8.612 298 2HG2 THR 40 HG21 THR 40 10.167 -7.882 -7.882 299 3HG2 THR 40 HG23 THR 40 8.576 -7.328 -7.328 300 H LYS 41 HN LYS 41 8.192 -9.705 -9.705 301 HA LYS 41 HA LYS 41 5.501 -9.770 -9.770 302 1HB LYS 41 HB2 LYS 41 5.496 -12.009 -12.009 303 2HB LYS 41 HB1 LYS 41 7.100 -11.686 -11.686 304 1HG LYS 41 HG2 LYS 41 7.911 -12.349 -12.349 305 2HG LYS 41 HG1 LYS 41 7.403 -10.793 -10.793 306 1HD LYS 41 HD2 LYS 41 5.182 -12.710 -12.710 307 2HD LYS 41 HD1 LYS 41 6.536 -13.348 -13.348 308 1HE LYS 41 HE2 LYS 41 6.114 -11.968 -11.968 309 2HE LYS 41 HE1 LYS 41 6.065 -10.548 -10.548 310 1HZ LYS 41 HZ3 LYS 41 3.867 -12.533 -12.533 311 2HZ LYS 41 HZ2 LYS 41 3.894 -11.060 -11.060 312 3HZ LYS 41 HZ1 LYS 41 3.855 -11.065 -11.065 313 H GLY 42 HN GLY 42 6.768 -8.613 -8.613 314 1HA GLY 42 HA2 GLY 42 4.450 -9.120 -9.120 315 2HA GLY 42 HA1 GLY 42 5.732 -7.966 -7.966 316 H LEU 43 HN LEU 43 4.903 -7.043 -7.043 317 HA LEU 43 HA LEU 43 3.553 -5.357 -5.357 318 1HB LEU 43 HB2 LEU 43 1.593 -6.031 -6.031 319 2HB LEU 43 HB1 LEU 43 1.275 -5.423 -5.423 320 HG LEU 43 HG LEU 43 2.354 -8.161 -8.161 321 1HD1 LEU 43 HD12 LEU 43 -0.250 -7.202 -7.202 322 2HD1 LEU 43 HD11 LEU 43 -0.086 -8.120 -8.120 323 3HD1 LEU 43 HD13 LEU 43 0.294 -8.878 -8.878 324 1HD2 LEU 43 HD21 LEU 43 3.292 -7.196 -7.196 325 2HD2 LEU 43 HD23 LEU 43 2.335 -8.662 -8.662 326 3HD2 LEU 43 HD22 LEU 43 1.640 -7.090 -7.090 327 H GLY 44 HN GLY 44 5.448 -4.823 -4.823 328 1HA GLY 44 HA2 GLY 44 6.131 -2.850 -2.850 329 2HA GLY 44 HA1 GLY 44 4.726 -2.037 -2.037 330 H ILE 45 HN ILE 45 4.350 -4.997 -4.997 331 HA ILE 45 HA ILE 45 2.600 -3.713 -3.713 332 HB ILE 45 HB ILE 45 2.917 -5.978 -5.978 333 1HG1 ILE 45 HG12 ILE 45 3.839 -7.487 -7.487 334 2HG1 ILE 45 HG11 ILE 45 5.055 -6.213 -6.213 335 1HG2 ILE 45 HG22 ILE 45 1.868 -5.560 -5.560 336 2HG2 ILE 45 HG21 ILE 45 1.802 -7.168 -7.168 337 3HG2 ILE 45 HG23 ILE 45 0.982 -5.818 -5.818 338 1HD1 ILE 45 HD12 ILE 45 4.184 -7.313 -7.313 339 2HD1 ILE 45 HD11 ILE 45 4.746 -8.582 -8.582 340 3HD1 ILE 45 HD13 ILE 45 5.809 -7.237 -7.237 341 H SER 46 HN SER 46 5.852 -5.183 -5.183 342 HA SER 46 HA SER 46 6.786 -2.972 -2.972 343 1HB SER 46 HB2 SER 46 6.613 -4.102 -4.102 344 2HB SER 46 HB1 SER 46 5.022 -3.876 -3.876 345 HG SER 46 HG SER 46 6.328 -6.167 -6.167 346 H TYR 47 HN TYR 47 7.711 -5.081 -5.081 347 HA TYR 47 HA TYR 47 9.750 -6.658 -6.658 348 1HB TYR 47 HB2 TYR 47 10.241 -7.447 -7.447 349 2HB TYR 47 HB1 TYR 47 8.486 -7.218 -7.218 350 HD1 TYR 47 HD1 TYR 47 11.587 -5.704 -5.704 351 HD2 TYR 47 HD2 TYR 47 7.296 -5.620 -5.620 352 HE1 TYR 47 HE1 TYR 47 11.563 -4.113 -4.113 353 HE2 TYR 47 HE2 TYR 47 7.273 -4.043 -4.043 354 HH TYR 47 HH TYR 47 9.747 -2.250 -2.250 355 H GLY 48 HN GLY 48 9.602 -3.528 -3.528 356 1HA GLY 48 HA2 GLY 48 11.582 -2.096 -2.096 357 2HA GLY 48 HA1 GLY 48 12.567 -3.219 -3.219 358 H ARG 49 HN ARG 49 9.622 -1.245 -1.245 359 HA ARG 49 HA ARG 49 9.930 -0.986 -0.986 360 1HB ARG 49 HB2 ARG 49 7.817 -0.899 -0.899 361 2HB ARG 49 HB1 ARG 49 8.311 0.380 0.380 362 1HG ARG 49 HG2 ARG 49 8.744 1.656 1.656 363 2HG ARG 49 HG1 ARG 49 7.572 0.471 0.471 364 1HD ARG 49 HD2 ARG 49 7.262 2.474 2.474 365 2HD ARG 49 HD1 ARG 49 6.384 2.485 2.485 366 HE ARG 49 HE ARG 49 5.857 -0.037 -0.037 367 1HH1 ARG 49 HH21 ARG 49 5.897 0.279 0.279 368 2HH1 ARG 49 HH22 ARG 49 4.482 1.173 1.173 369 1HH2 ARG 49 HH11 ARG 49 3.896 2.365 2.365 370 2HH2 ARG 49 HH12 ARG 49 3.349 2.360 2.360 371 H LYS 50 HN LYS 50 10.792 0.680 0.680 372 HA LYS 50 HA LYS 50 12.234 2.849 2.849 373 1HB LYS 50 HB2 LYS 50 13.827 2.667 2.667 374 2HB LYS 50 HB1 LYS 50 13.834 1.305 1.305 375 1HG LYS 50 HG2 LYS 50 11.887 1.187 1.187 376 2HG LYS 50 HG1 LYS 50 13.537 0.983 0.983 377 1HD LYS 50 HD2 LYS 50 13.115 -0.608 -0.608 378 2HD LYS 50 HD1 LYS 50 11.754 -0.859 -0.859 379 1HE LYS 50 HE2 LYS 50 13.279 -2.451 -2.451 380 2HE LYS 50 HE1 LYS 50 13.461 -1.202 -1.202 381 1HZ LYS 50 HZ3 LYS 50 15.119 -1.455 -1.455 382 2HZ LYS 50 HZ2 LYS 50 15.656 -1.831 -1.831 383 3HZ LYS 50 HZ1 LYS 50 15.280 -0.226 -0.226 384 H LYS 51 HN LYS 51 9.767 2.133 2.133 385 HA LYS 51 HA LYS 51 8.471 3.443 3.443 386 1HB LYS 51 HB2 LYS 51 9.794 5.559 5.559 387 2HB LYS 51 HB1 LYS 51 8.630 5.902 5.902 388 1HG LYS 51 HG2 LYS 51 7.990 3.747 3.747 389 2HG LYS 51 HG1 LYS 51 7.833 5.429 5.429 390 1HD LYS 51 HD2 LYS 51 5.708 5.012 5.012 391 2HD LYS 51 HD1 LYS 51 6.487 5.666 5.666 392 1HE LYS 51 HE2 LYS 51 6.528 3.640 3.640 393 2HE LYS 51 HE1 LYS 51 6.720 2.704 2.704 394 1HZ LYS 51 HZ1 LYS 51 4.257 4.185 4.185 395 2HZ LYS 51 HZ3 LYS 51 4.467 2.511 2.511 396 3HZ LYS 51 HZ2 LYS 51 4.467 3.212 3.212 397 H ARG 52 HN ARG 52 8.632 5.288 5.288 398 HA ARG 52 HA ARG 52 9.610 6.162 6.162 399 1HB ARG 52 HB2 ARG 52 12.342 5.965 5.965 400 2HB ARG 52 HB1 ARG 52 11.478 7.214 7.214 401 1HG ARG 52 HG2 ARG 52 11.089 6.497 6.497 402 2HG ARG 52 HG1 ARG 52 11.788 8.007 8.007 403 1HD ARG 52 HD2 ARG 52 8.853 7.119 7.119 404 2HD ARG 52 HD1 ARG 52 9.494 8.535 8.535 405 HE ARG 52 HE ARG 52 9.245 8.126 8.126 406 1HH1 ARG 52 HH21 ARG 52 11.886 9.342 9.342 407 2HH1 ARG 52 HH22 ARG 52 11.548 11.038 11.038 408 1HH2 ARG 52 HH11 ARG 52 8.193 10.592 10.592 409 2HH2 ARG 52 HH12 ARG 52 9.452 11.747 11.747 410 H ARG 53 HN ARG 53 9.852 3.074 3.074 411 HA ARG 53 HA ARG 53 12.002 2.185 2.185 412 1HB ARG 53 HB2 ARG 53 9.746 0.771 0.771 413 2HB ARG 53 HB1 ARG 53 11.173 -0.056 -0.056 414 1HG ARG 53 HG2 ARG 53 10.930 1.648 1.648 415 2HG ARG 53 HG1 ARG 53 11.703 0.084 0.084 416 1HD ARG 53 HD2 ARG 53 12.747 2.576 2.576 417 2HD ARG 53 HD1 ARG 53 13.265 2.133 2.133 418 HE ARG 53 HE ARG 53 13.574 -0.267 -0.267 419 1HH1 ARG 53 HH11 ARG 53 13.752 0.946 0.946 420 2HH1 ARG 53 HH12 ARG 53 15.431 1.344 1.344 421 1HH2 ARG 53 HH21 ARG 53 16.062 1.109 1.109 422 2HH2 ARG 53 HH22 ARG 53 16.743 1.437 1.437 423 H GLN 54 HN GLN 54 9.102 3.606 3.606 424 HA GLN 54 HA GLN 54 7.741 2.001 2.001 425 1HB GLN 54 HB2 GLN 54 7.731 4.543 4.543 426 2HB GLN 54 HB1 GLN 54 7.380 4.881 4.881 427 1HG GLN 54 HG2 GLN 54 5.612 2.811 2.811 428 2HG GLN 54 HG1 GLN 54 6.124 3.165 3.165 429 1HE2 GLN 54 HE22 GLN 54 4.521 6.394 6.394 430 2HE2 GLN 54 HE21 GLN 54 5.911 5.577 5.577 431 H ARG 55 HN ARG 55 10.076 4.694 4.694 432 HA ARG 55 HA ARG 55 11.578 5.314 5.314 433 1HB ARG 55 HB2 ARG 55 10.949 2.510 2.510 434 2HB ARG 55 HB1 ARG 55 12.282 3.530 3.530 435 1HG ARG 55 HG2 ARG 55 11.808 2.539 2.539 436 2HG ARG 55 HG1 ARG 55 12.965 1.876 1.876 437 1HD ARG 55 HD2 ARG 55 13.062 4.812 4.812 438 2HD ARG 55 HD1 ARG 55 13.892 3.565 3.565 439 HE ARG 55 HE ARG 55 14.611 2.937 2.937 440 1HH1 ARG 55 HH11 ARG 55 14.197 5.797 5.797 441 2HH1 ARG 55 HH12 ARG 55 15.746 6.496 6.496 442 1HH2 ARG 55 HH21 ARG 55 16.814 3.843 3.843 443 2HH2 ARG 55 HH22 ARG 55 17.232 5.386 5.386 444 H ARG 56 HN ARG 56 8.340 5.094 5.094 445 HA ARG 56 HA ARG 56 8.492 6.149 6.149 446 1HB ARG 56 HB2 ARG 56 6.629 4.148 4.148 447 2HB ARG 56 HB1 ARG 56 6.096 5.100 5.100 448 1HG ARG 56 HG2 ARG 56 6.989 3.340 3.340 449 2HG ARG 56 HG1 ARG 56 8.430 4.344 4.344 450 1HD ARG 56 HD2 ARG 56 9.257 3.108 3.108 451 2HD ARG 56 HD1 ARG 56 7.707 2.270 2.270 452 HE ARG 56 HE ARG 56 8.242 1.512 1.512 453 1HH1 ARG 56 HH21 ARG 56 10.767 1.568 1.568 454 2HH1 ARG 56 HH22 ARG 56 11.665 0.425 0.425 455 1HH2 ARG 56 HH11 ARG 56 9.214 0.108 0.108 456 2HH2 ARG 56 HH12 ARG 56 10.784 -0.403 -0.403 457 H ARG 57 HN ARG 57 8.622 7.619 7.619 458 HA ARG 57 HA ARG 57 6.153 8.667 8.667 459 1HB ARG 57 HB2 ARG 57 8.478 8.856 8.856 460 2HB ARG 57 HB1 ARG 57 8.807 10.148 10.148 461 1HG ARG 57 HG2 ARG 57 8.090 11.194 11.194 462 2HG ARG 57 HG1 ARG 57 6.700 11.288 11.288 463 1HD ARG 57 HD2 ARG 57 5.530 9.608 9.608 464 2HD ARG 57 HD1 ARG 57 6.988 8.939 8.939 465 HE ARG 57 HE ARG 57 6.815 11.613 11.613 466 1HH1 ARG 57 HH21 ARG 57 3.969 11.535 11.535 467 2HH1 ARG 57 HH22 ARG 57 3.646 10.709 10.709 468 1HH2 ARG 57 HH11 ARG 57 6.831 9.331 9.331 469 2HH2 ARG 57 HH12 ARG 57 5.274 9.455 9.455 470 HA PRO 58 HA PRO 58 6.536 12.005 12.005 471 1HB PRO 58 HB2 PRO 58 8.105 11.492 11.492 472 2HB PRO 58 HB1 PRO 58 8.701 12.297 12.297 473 1HG PRO 58 HG2 PRO 58 9.073 9.499 9.499 474 2HG PRO 58 HG1 PRO 58 10.161 10.549 10.549 475 1HD PRO 58 HD2 PRO 58 8.599 8.524 8.524 476 2HD PRO 58 HD1 PRO 58 9.359 9.763 9.763 477 H SER 59 HN SER 59 6.458 8.579 8.579 478 HA SER 59 HA SER 59 4.764 8.999 8.999 479 1HB SER 59 HB2 SER 59 6.585 7.320 7.320 480 2HB SER 59 HB1 SER 59 5.793 6.502 6.502 481 HG SER 59 HG SER 59 4.834 5.455 5.455 482 H GLN 60 HN GLN 60 2.593 9.244 9.244 483 HA GLN 60 HA GLN 60 1.081 7.417 7.417 484 1HB GLN 60 HB2 GLN 60 1.548 10.334 10.334 485 2HB GLN 60 HB1 GLN 60 0.019 9.547 9.547 486 1HG GLN 60 HG2 GLN 60 0.681 8.593 8.593 487 2HG GLN 60 HG1 GLN 60 1.586 7.633 7.633 488 1HE2 GLN 60 HE22 GLN 60 3.669 10.902 10.902 489 2HE2 GLN 60 HE21 GLN 60 2.106 11.092 11.092 490 H GLY 61 HN GLY 61 1.014 7.812 7.812 491 1HA GLY 61 HA2 GLY 61 -1.240 9.590 9.590 492 2HA GLY 61 HA1 GLY 61 -0.440 8.501 8.501 493 H GLY 62 HN GLY 62 -2.591 8.686 8.686 494 1HA GLY 62 HA2 GLY 62 -4.491 7.381 7.381 495 2HA GLY 62 HA1 GLY 62 -4.433 6.742 6.742 496 H GLN 63 HN GLN 63 -1.673 6.600 6.600 497 HA GLN 63 HA GLN 63 -1.439 3.735 3.735 498 1HB GLN 63 HB2 GLN 63 -0.032 5.925 5.925 499 2HB GLN 63 HB1 GLN 63 0.503 4.282 4.282 500 1HG GLN 63 HG2 GLN 63 -0.007 5.167 5.167 501 2HG GLN 63 HG1 GLN 63 1.297 6.006 6.006 502 1HE2 GLN 63 HE22 GLN 63 1.763 1.863 1.863 503 2HE2 GLN 63 HE21 GLN 63 0.237 2.526 2.526 504 H THR 64 HN THR 64 -3.249 5.614 5.614 505 HA THR 64 HA THR 64 -4.156 5.157 5.157 506 HB THR 64 HB THR 64 -4.040 2.418 2.418 507 HG1 THR 64 HG1 THR 64 -5.593 3.132 3.132 508 1HG2 THR 64 HG22 THR 64 -5.375 3.465 3.465 509 2HG2 THR 64 HG21 THR 64 -6.217 2.246 2.246 510 3HG2 THR 64 HG23 THR 64 -4.626 1.894 1.894 511 H HIS 65 HN HIS 65 -1.467 5.485 5.485 512 HA HIS 65 HA HIS 65 0.037 3.293 3.293 513 1HB HIS 65 HB2 HIS 65 0.286 5.907 5.907 514 2HB HIS 65 HB1 HIS 65 1.400 5.902 5.902 515 HD1 HIS 65 HD1 HIS 65 2.391 6.174 6.174 516 HD2 HIS 65 HD2 HIS 65 1.632 2.387 2.387 517 HE1 HIS 65 HE1 HIS 65 3.638 4.557 4.557 518 H GLN 66 HN GLN 66 -2.428 4.690 4.690 519 HA GLN 66 HA GLN 66 -3.130 4.843 4.843 520 1HB GLN 66 HB2 GLN 66 -0.479 3.477 3.477 521 2HB GLN 66 HB1 GLN 66 -1.695 3.674 3.674 522 1HG GLN 66 HG2 GLN 66 -2.680 1.810 1.810 523 2HG GLN 66 HG1 GLN 66 -3.136 2.630 2.630 524 1HE2 GLN 66 HE22 GLN 66 -0.453 1.167 1.167 525 2HE2 GLN 66 HE21 GLN 66 -1.471 2.524 2.524 526 H ASP 67 HN ASP 67 0.346 5.361 5.361 527 HA ASP 67 HA ASP 67 -0.185 7.441 7.441 528 1HB ASP 67 HB2 ASP 67 1.681 5.868 5.868 529 2HB ASP 67 HB1 ASP 67 2.275 6.571 6.571 530 HA PRO 68 HA PRO 68 1.458 10.454 10.454 531 1HB PRO 68 HB2 PRO 68 1.433 9.707 9.707 532 2HB PRO 68 HB1 PRO 68 2.823 9.433 9.433 533 1HG PRO 68 HG2 PRO 68 0.731 7.489 7.489 534 2HG PRO 68 HG1 PRO 68 2.428 7.184 7.184 535 1HD PRO 68 HD2 PRO 68 0.200 6.721 6.721 536 2HD PRO 68 HD1 PRO 68 1.894 6.600 6.600 537 H ILE 69 HN ILE 69 -1.256 8.391 8.391 538 HA ILE 69 HA ILE 69 -2.671 10.968 10.968 539 HB ILE 69 HB ILE 69 -3.432 10.088 10.088 540 1HG1 ILE 69 HG12 ILE 69 -4.574 8.039 8.039 541 2HG1 ILE 69 HG11 ILE 69 -3.127 7.657 7.657 542 1HG2 ILE 69 HG21 ILE 69 -0.858 10.155 10.155 543 2HG2 ILE 69 HG23 ILE 69 -0.953 8.392 8.392 544 3HG2 ILE 69 HG22 ILE 69 -1.550 9.281 9.281 545 1HD1 ILE 69 HD13 ILE 69 -1.862 6.943 6.943 546 2HD1 ILE 69 HD12 ILE 69 -3.116 7.454 7.454 547 3HD1 ILE 69 HD11 ILE 69 -3.402 6.086 6.086 548 HA PRO 70 HA PRO 70 -5.231 8.100 8.100 549 1HB PRO 70 HB2 PRO 70 -4.791 9.409 9.409 550 2HB PRO 70 HB1 PRO 70 -3.862 7.966 7.966 551 1HG PRO 70 HG2 PRO 70 -3.244 10.896 10.896 552 2HG PRO 70 HG1 PRO 70 -2.172 9.559 9.559 553 1HD PRO 70 HD2 PRO 70 -2.094 10.755 10.755 554 2HD PRO 70 HD1 PRO 70 -1.779 9.005 9.005 555 H LYS 71 HN LYS 71 -4.760 11.400 11.400 556 HA LYS 71 HA LYS 71 -7.074 12.503 12.503 557 1HB LYS 71 HB2 LYS 71 -6.527 14.476 14.476 558 2HB LYS 71 HB1 LYS 71 -5.143 13.867 13.867 559 1HG LYS 71 HG2 LYS 71 -5.021 12.444 12.444 560 2HG LYS 71 HG1 LYS 71 -5.522 14.094 14.094 561 1HD LYS 71 HD2 LYS 71 -3.223 13.834 13.834 562 2HD LYS 71 HD1 LYS 71 -3.637 15.033 15.033 563 1HE LYS 71 HE2 LYS 71 -3.377 13.118 13.118 564 2HE LYS 71 HE1 LYS 71 -2.758 12.138 12.138 565 1HZ LYS 71 HZ1 LYS 71 -1.103 13.878 13.878 566 2HZ LYS 71 HZ3 LYS 71 -1.683 14.783 14.783 567 3HZ LYS 71 HZ2 LYS 71 -0.939 13.278 13.278 568 H GLN 72 HN GLN 72 -6.437 11.342 11.342 569 HA GLN 72 HA GLN 72 -9.304 10.911 10.911 570 1HB GLN 72 HB2 GLN 72 -8.874 12.510 12.510 571 2HB GLN 72 HB1 GLN 72 -9.550 13.090 13.090 572 1HG GLN 72 HG2 GLN 72 -7.902 14.611 14.611 573 2HG GLN 72 HG1 GLN 72 -7.103 13.634 13.634 574 1HE2 GLN 72 HE22 GLN 72 -4.892 12.319 12.319 575 2HE2 GLN 72 HE21 GLN 72 -5.527 11.881 11.881 576 HA PRO 73 HA PRO 73 -7.804 8.024 8.024 577 1HB PRO 73 HB2 PRO 73 -9.512 8.333 8.333 578 2HB PRO 73 HB1 PRO 73 -9.995 7.513 7.513 579 1HG PRO 73 HG2 PRO 73 -10.445 10.352 10.352 580 2HG PRO 73 HG1 PRO 73 -11.614 9.218 9.218 581 1HD PRO 73 HD2 PRO 73 -10.381 11.151 11.151 582 2HD PRO 73 HD1 PRO 73 -10.688 9.571 9.571 583 H SER 74 HN SER 74 -8.721 11.142 11.142 584 HA SER 74 HA SER 74 -7.653 12.474 12.474 585 1HB SER 74 HB2 SER 74 -6.174 12.060 12.060 586 2HB SER 74 HB1 SER 74 -4.999 11.411 11.411 587 HG SER 74 HG SER 74 -5.111 13.841 13.841 588 H SER 75 HN SER 75 -8.475 10.030 10.030 589 HA SER 75 HA SER 75 -7.124 9.831 9.831 590 1HB SER 75 HB2 SER 75 -5.432 8.860 8.860 591 2HB SER 75 HB1 SER 75 -6.350 7.450 7.450 592 HG SER 75 HG SER 75 -5.578 7.280 7.280 593 H GLN 76 HN GLN 76 -8.893 8.172 8.172 594 HA GLN 76 HA GLN 76 -10.082 6.118 6.118 595 1HB GLN 76 HB2 GLN 76 -10.473 7.187 7.187 596 2HB GLN 76 HB1 GLN 76 -11.515 5.918 5.918 597 1HG GLN 76 HG2 GLN 76 -9.991 4.405 4.405 598 2HG GLN 76 HG1 GLN 76 -8.928 5.065 5.065 599 1HE2 GLN 76 HE22 GLN 76 -6.876 6.880 6.880 600 2HE2 GLN 76 HE21 GLN 76 -7.371 6.756 6.756 601 HA PRO 77 HA PRO 77 -13.811 9.023 9.023 602 1HB PRO 77 HB2 PRO 77 -13.528 11.569 11.569 603 2HB PRO 77 HB1 PRO 77 -13.926 10.126 10.126 604 1HG PRO 77 HG2 PRO 77 -11.477 11.693 11.693 605 2HG PRO 77 HG1 PRO 77 -12.024 10.589 10.589 606 1HD PRO 77 HD2 PRO 77 -10.254 10.191 10.191 607 2HD PRO 77 HD1 PRO 77 -10.418 9.175 9.175 608 H ARG 78 HN ARG 78 -10.863 9.726 9.726 609 HA ARG 78 HA ARG 78 -12.037 11.114 11.114 610 1HB ARG 78 HB2 ARG 78 -10.888 13.292 13.292 611 2HB ARG 78 HB1 ARG 78 -12.047 12.908 12.908 612 1HG ARG 78 HG2 ARG 78 -10.124 11.922 11.922 613 2HG ARG 78 HG1 ARG 78 -9.058 12.587 12.587 614 1HD ARG 78 HD2 ARG 78 -11.095 14.352 14.352 615 2HD ARG 78 HD1 ARG 78 -9.458 14.082 14.082 616 HE ARG 78 HE ARG 78 -9.354 14.714 14.714 617 1HH1 ARG 78 HH11 ARG 78 -11.205 16.737 16.737 618 2HH1 ARG 78 HH12 ARG 78 -10.072 18.022 18.022 619 1HH2 ARG 78 HH21 ARG 78 -7.295 16.088 16.088 620 2HH2 ARG 78 HH22 ARG 78 -7.852 17.654 17.654 621 H GLY 79 HN GLY 79 -9.030 10.322 10.322 622 1HA GLY 79 HA2 GLY 79 -7.290 10.809 10.809 623 2HA GLY 79 HA1 GLY 79 -6.828 9.922 9.922 624 H ASP 80 HN ASP 80 -5.970 8.045 8.045 625 HA ASP 80 HA ASP 80 -6.821 6.764 6.764 626 1HB ASP 80 HB2 ASP 80 -4.981 6.114 6.114 627 2HB ASP 80 HB1 ASP 80 -5.264 4.948 4.948 628 HA PRO 81 HA PRO 81 -10.049 4.188 4.188 629 1HB PRO 81 HB2 PRO 81 -9.752 2.006 2.006 630 2HB PRO 81 HB1 PRO 81 -10.430 3.552 3.552 631 1HG PRO 81 HG2 PRO 81 -7.661 2.471 2.471 632 2HG PRO 81 HG1 PRO 81 -8.670 3.328 3.328 633 1HD PRO 81 HD2 PRO 81 -6.679 4.538 4.538 634 2HD PRO 81 HD1 PRO 81 -8.147 5.405 5.405 635 H THR 82 HN THR 82 -10.138 2.861 2.861 636 HA THR 82 HA THR 82 -7.832 1.043 1.043 637 HB THR 82 HB THR 82 -8.946 1.533 1.533 638 HG1 THR 82 HG1 THR 82 -9.661 3.550 3.550 639 1HG2 THR 82 HG21 THR 82 -6.546 1.957 1.957 640 2HG2 THR 82 HG23 THR 82 -7.035 3.601 3.601 641 3HG2 THR 82 HG22 THR 82 -6.890 2.385 2.385 642 H GLY 83 HN GLY 83 -11.319 1.372 1.372 643 1HA GLY 83 HA2 GLY 83 -12.105 -1.259 -1.259 644 2HA GLY 83 HA1 GLY 83 -11.732 -1.165 -1.165 645 HA PRO 84 HA PRO 84 -15.878 0.640 0.640 646 1HB PRO 84 HB2 PRO 84 -16.218 0.172 0.172 647 2HB PRO 84 HB1 PRO 84 -16.283 -1.114 -1.114 648 1HG PRO 84 HG2 PRO 84 -14.265 -0.640 -0.640 649 2HG PRO 84 HG1 PRO 84 -14.449 -2.023 -2.023 650 1HD PRO 84 HD2 PRO 84 -12.857 0.494 0.494 651 2HD PRO 84 HD1 PRO 84 -12.330 -1.031 -1.031 652 H LYS 85 HN LYS 85 -13.457 2.320 2.320 653 HA LYS 85 HA LYS 85 -13.790 4.159 4.159 654 1HB LYS 85 HB2 LYS 85 -11.972 5.335 5.335 655 2HB LYS 85 HB1 LYS 85 -11.614 3.643 3.643 656 1HG LYS 85 HG2 LYS 85 -11.605 2.953 2.953 657 2HG LYS 85 HG1 LYS 85 -12.976 3.887 3.887 658 1HD LYS 85 HD2 LYS 85 -10.931 5.848 5.848 659 2HD LYS 85 HD1 LYS 85 -10.184 4.574 4.574 660 1HE LYS 85 HE2 LYS 85 -11.807 4.778 4.778 661 2HE LYS 85 HE1 LYS 85 -12.858 5.771 5.771 662 1HZ LYS 85 HZ3 LYS 85 -10.070 6.602 6.602 663 2HZ LYS 85 HZ2 LYS 85 -11.241 6.964 6.964 664 3HZ LYS 85 HZ1 LYS 85 -11.421 7.541 7.541 665 H GLU 86 HN GLU 86 -15.105 3.855 3.855 666 HA GLU 86 HA GLU 86 -15.508 6.667 6.667 667 1HB GLU 86 HB2 GLU 86 -16.806 4.124 4.124 668 2HB GLU 86 HB1 GLU 86 -16.953 5.701 5.701 669 1HG GLU 86 HG2 GLU 86 -14.361 5.613 5.613 670 2HG GLU 86 HG1 GLU 86 -14.571 3.918 3.918
Contact the webmaster for help, if required. Sunday, July 7, 2024 8:07:58 PM GMT (wattos1)