NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
604932 | 2n3l | 25650 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 HT1 GLY -2 -9.014 1.738 -6.328 2 H2 GLY -2 HT2 GLY -2 -8.488 3.077 -7.215 3 H3 GLY -2 HT3 GLY -2 -10.143 2.753 -7.079 4 HA2 GLY -2 HA1 GLY -2 -9.549 4.569 -5.613 5 HA3 GLY -2 HA2 GLY -2 -10.057 3.155 -4.698 6 H SER -1 HN SER -1 -7.820 5.536 -4.838 7 HA SER -1 HA SER -1 -6.166 4.272 -2.872 8 HB2 SER -1 HB2 SER -1 -4.015 4.802 -4.143 9 HB3 SER -1 HB1 SER -1 -4.928 3.402 -4.709 10 HG SER -1 HG SER -1 -5.374 5.947 -5.826 11 H HIS 0 HN HIS 0 -6.536 5.833 -1.418 12 HA HIS 0 HA HIS 0 -5.315 8.447 -1.903 13 HB2 HIS 0 HB2 HIS 0 -8.051 8.117 -2.216 14 HB3 HIS 0 HB1 HIS 0 -7.904 8.694 -0.560 15 HD1 HIS 0 HD1 HIS 0 -6.344 9.711 -3.889 16 HD2 HIS 0 HD2 HIS 0 -8.120 11.376 -0.518 17 HE1 HIS 0 HE1 HIS 0 -6.324 12.203 -4.274 18 HE2 HIS 0 HE2 HIS 0 -7.354 13.191 -2.192 19 H MET 1 HN MET 1 -5.751 9.741 0.386 20 HA MET 1 HA MET 1 -5.592 9.960 2.620 21 HB2 MET 1 HB2 MET 1 -6.449 7.079 2.673 22 HB3 MET 1 HB1 MET 1 -6.158 8.011 4.129 23 HG2 MET 1 HG2 MET 1 -8.430 8.214 3.940 24 HG3 MET 1 HG1 MET 1 -7.913 9.653 3.070 25 HE1 MET 1 HE1 MET 1 -10.567 9.586 2.103 26 HE2 MET 1 HE2 MET 1 -10.791 8.068 2.974 27 HE3 MET 1 HE3 MET 1 -11.196 8.165 1.262 28 H VAL 2 HN VAL 2 -4.138 9.802 4.322 29 HA VAL 2 HA VAL 2 -1.892 7.938 4.011 30 HB VAL 2 HB VAL 2 -0.276 9.743 4.705 31 HG11 VAL 2 HG11 VAL 2 -1.667 10.156 2.061 32 HG12 VAL 2 HG12 VAL 2 -0.381 8.997 2.393 33 HG13 VAL 2 HG13 VAL 2 -0.050 10.728 2.469 34 HG21 VAL 2 HG21 VAL 2 -1.833 11.384 5.610 35 HG22 VAL 2 HG22 VAL 2 -2.559 11.605 4.018 36 HG23 VAL 2 HG23 VAL 2 -0.889 12.094 4.301 37 H ILE 3 HN ILE 3 -0.533 7.772 6.014 38 HA ILE 3 HA ILE 3 -1.696 8.695 8.481 39 HB ILE 3 HB ILE 3 -3.129 6.775 8.118 40 HG12 ILE 3 HG12 ILE 3 -1.145 5.923 10.218 41 HG13 ILE 3 HG11 ILE 3 -2.172 7.341 10.427 42 HG21 ILE 3 HG21 ILE 3 -2.301 4.451 7.970 43 HG22 ILE 3 HG22 ILE 3 -0.645 5.050 7.881 44 HG23 ILE 3 HG23 ILE 3 -1.788 5.429 6.594 45 HD11 ILE 3 HD11 ILE 3 -3.117 5.412 11.531 46 HD12 ILE 3 HD12 ILE 3 -3.099 4.509 10.016 47 HD13 ILE 3 HD13 ILE 3 -4.147 5.918 10.193 48 H ARG 4 HN ARG 4 -0.027 9.305 9.780 49 HA ARG 4 HA ARG 4 2.535 7.884 9.407 50 HB2 ARG 4 HB2 ARG 4 1.959 10.751 10.125 51 HB3 ARG 4 HB1 ARG 4 3.533 10.022 10.412 52 HG2 ARG 4 HG2 ARG 4 4.010 10.847 8.335 53 HG3 ARG 4 HG1 ARG 4 3.149 9.407 7.784 54 HD2 ARG 4 HD2 ARG 4 1.167 10.608 7.387 55 HD3 ARG 4 HD1 ARG 4 1.714 11.989 8.338 56 HE ARG 4 HE ARG 4 2.506 11.308 5.611 57 HH11 ARG 4 HH12 ARG 4 2.897 13.452 8.380 58 HH12 ARG 4 HH11 ARG 4 3.660 14.702 7.458 59 HH21 ARG 4 HH22 ARG 4 3.520 12.992 4.418 60 HH22 ARG 4 HH21 ARG 4 4.010 14.442 5.227 61 H GLU 5 HN GLU 5 0.835 6.651 11.176 62 HA GLU 5 HA GLU 5 2.369 6.824 13.614 63 HB2 GLU 5 HB2 GLU 5 0.309 8.594 13.756 64 HB3 GLU 5 HB1 GLU 5 -0.570 7.132 14.193 65 HG2 GLU 5 HG2 GLU 5 1.174 6.786 16.046 66 HG3 GLU 5 HG1 GLU 5 1.734 8.427 15.697 67 H SER 6 HN SER 6 1.484 4.888 11.428 68 HA SER 6 HA SER 6 0.412 2.822 13.234 69 HB2 SER 6 HB2 SER 6 -1.308 3.762 11.536 70 HB3 SER 6 HB1 SER 6 -0.358 2.944 10.296 71 HG SER 6 HG SER 6 -2.200 1.745 11.193 72 H VAL 7 HN VAL 7 0.643 0.603 11.913 73 HA VAL 7 HA VAL 7 3.223 0.452 10.547 74 HB VAL 7 HB VAL 7 3.159 -1.973 11.902 75 HG11 VAL 7 HG11 VAL 7 5.102 -0.752 11.269 76 HG12 VAL 7 HG12 VAL 7 5.200 -1.153 12.982 77 HG13 VAL 7 HG13 VAL 7 4.776 0.486 12.481 78 HG21 VAL 7 HG21 VAL 7 3.135 -1.580 14.285 79 HG22 VAL 7 HG22 VAL 7 1.571 -1.101 13.636 80 HG23 VAL 7 HG23 VAL 7 2.770 0.126 14.066 81 H SER 8 HN SER 8 2.643 -0.191 8.677 82 HA SER 8 HA SER 8 0.178 -1.711 8.362 83 HB2 SER 8 HB2 SER 8 1.071 -1.256 5.823 84 HB3 SER 8 HB1 SER 8 0.068 -0.113 6.706 85 HG SER 8 HG SER 8 2.667 0.079 5.902 86 H ARG 9 HN ARG 9 0.132 -3.903 8.166 87 HA ARG 9 HA ARG 9 2.536 -5.216 7.041 88 HB2 ARG 9 HB2 ARG 9 1.395 -6.675 9.424 89 HB3 ARG 9 HB1 ARG 9 3.011 -6.723 8.748 90 HG2 ARG 9 HG2 ARG 9 3.666 -5.428 10.422 91 HG3 ARG 9 HG1 ARG 9 2.791 -4.111 9.643 92 HD2 ARG 9 HD2 ARG 9 1.850 -5.893 11.891 93 HD3 ARG 9 HD1 ARG 9 2.049 -4.143 11.895 94 HE ARG 9 HE ARG 9 0.138 -4.938 9.956 95 HH11 ARG 9 HH11 ARG 9 0.495 -4.482 13.421 96 HH12 ARG 9 HH12 ARG 9 -1.192 -4.179 13.674 97 HH21 ARG 9 HH22 ARG 9 -2.069 -4.526 10.305 98 HH22 ARG 9 HH21 ARG 9 -2.645 -4.206 11.906 99 H ILE 10 HN ILE 10 2.189 -7.621 6.364 100 HA ILE 10 HA ILE 10 -0.618 -8.049 5.569 101 HB ILE 10 HB ILE 10 1.897 -8.895 4.022 102 HG12 ILE 10 HG12 ILE 10 0.050 -6.548 3.573 103 HG13 ILE 10 HG11 ILE 10 1.798 -6.585 3.605 104 HG21 ILE 10 HG21 ILE 10 0.480 -9.699 2.227 105 HG22 ILE 10 HG22 ILE 10 -0.967 -9.106 3.036 106 HG23 ILE 10 HG23 ILE 10 -0.045 -10.439 3.737 107 HD11 ILE 10 HD11 ILE 10 0.464 -7.937 1.308 108 HD12 ILE 10 HD12 ILE 10 1.974 -7.017 1.382 109 HD13 ILE 10 HD13 ILE 10 0.439 -6.188 1.378 110 H TYR 11 HN TYR 11 -1.411 -10.183 5.741 111 HA TYR 11 HA TYR 11 0.179 -11.890 7.581 112 HB2 TYR 11 HB2 TYR 11 -2.192 -10.881 8.036 113 HB3 TYR 11 HB1 TYR 11 -2.768 -12.173 6.990 114 HD1 TYR 11 HD1 TYR 11 -2.320 -14.573 7.696 115 HD2 TYR 11 HD2 TYR 11 -1.673 -11.253 10.273 116 HE1 TYR 11 HE1 TYR 11 -2.389 -16.071 9.643 117 HE2 TYR 11 HE2 TYR 11 -1.722 -12.745 12.225 118 HH TYR 11 HH TYR 11 -1.563 -16.127 11.975 119 H VAL 12 HN VAL 12 1.242 -13.808 6.463 120 HA VAL 12 HA VAL 12 -0.530 -15.058 4.457 121 HB VAL 12 HB VAL 12 1.525 -15.690 3.041 122 HG11 VAL 12 HG11 VAL 12 1.776 -13.520 1.870 123 HG12 VAL 12 HG12 VAL 12 0.810 -12.747 3.121 124 HG13 VAL 12 HG13 VAL 12 0.106 -14.005 2.106 125 HG21 VAL 12 HG21 VAL 12 3.278 -15.204 4.657 126 HG22 VAL 12 HG22 VAL 12 2.906 -13.479 4.556 127 HG23 VAL 12 HG23 VAL 12 3.519 -14.336 3.142 128 H GLY 13 HN GLY 13 -1.107 -16.988 5.288 129 HA2 GLY 13 HA2 GLY 13 1.006 -18.588 6.669 130 HA3 GLY 13 HA1 GLY 13 -0.517 -18.307 7.466 131 H ASN 14 HN ASN 14 -0.153 -20.844 7.456 132 HA ASN 14 HA ASN 14 -0.620 -22.957 6.618 133 HB2 ASN 14 HB2 ASN 14 -2.932 -21.495 5.354 134 HB3 ASN 14 HB1 ASN 14 -2.875 -23.205 5.747 135 HD21 ASN 14 HD21 ASN 14 -2.958 -23.818 7.936 136 HD22 ASN 14 HD22 ASN 14 -3.581 -22.764 9.150 137 H LEU 15 HN LEU 15 1.134 -21.419 4.734 138 HA LEU 15 HA LEU 15 0.135 -21.921 2.102 139 HB2 LEU 15 HB2 LEU 15 1.828 -20.352 1.365 140 HB3 LEU 15 HB1 LEU 15 0.966 -19.661 2.732 141 HG LEU 15 HG LEU 15 3.626 -21.012 3.141 142 HD11 LEU 15 HD11 LEU 15 4.122 -19.416 1.453 143 HD12 LEU 15 HD12 LEU 15 4.613 -18.723 3.007 144 HD13 LEU 15 HD13 LEU 15 3.119 -18.191 2.236 145 HD21 LEU 15 HD21 LEU 15 3.742 -19.158 4.899 146 HD22 LEU 15 HD22 LEU 15 2.658 -20.508 5.214 147 HD23 LEU 15 HD23 LEU 15 2.013 -18.972 4.632 148 HA PRO 16 HA PRO 16 2.704 -25.537 1.534 149 HB2 PRO 16 HB2 PRO 16 3.064 -25.326 -1.234 150 HB3 PRO 16 HB1 PRO 16 1.707 -26.126 -0.424 151 HG2 PRO 16 HG2 PRO 16 1.854 -23.481 -1.711 152 HG3 PRO 16 HG1 PRO 16 0.477 -24.583 -1.524 153 HD2 PRO 16 HD2 PRO 16 0.835 -22.313 -0.079 154 HD3 PRO 16 HD1 PRO 16 -0.115 -23.696 0.472 155 H SER 17 HN SER 17 4.931 -25.811 1.786 156 HA SER 17 HA SER 17 7.133 -25.681 1.592 157 HB2 SER 17 HB2 SER 17 8.347 -24.608 -0.070 158 HB3 SER 17 HB1 SER 17 6.792 -24.841 -0.859 159 HG SER 17 HG SER 17 7.845 -22.688 -1.006 160 H HIS 18 HN HIS 18 5.394 -22.689 2.099 161 HA HIS 18 HA HIS 18 5.599 -20.946 3.487 162 HB2 HIS 18 HB2 HIS 18 5.750 -22.452 5.354 163 HB3 HIS 18 HB1 HIS 18 7.447 -22.724 5.024 164 HD1 HIS 18 HD1 HIS 18 8.899 -21.577 6.639 165 HD2 HIS 18 HD2 HIS 18 5.419 -19.423 5.950 166 HE1 HIS 18 HE1 HIS 18 9.057 -19.551 8.119 167 HE2 HIS 18 HE2 HIS 18 7.000 -18.200 7.585 168 H VAL 19 HN VAL 19 6.392 -19.143 2.804 169 HA VAL 19 HA VAL 19 8.932 -19.028 1.493 170 HB VAL 19 HB VAL 19 8.379 -16.674 0.948 171 HG11 VAL 19 HG11 VAL 19 7.131 -18.322 -0.315 172 HG12 VAL 19 HG12 VAL 19 6.220 -16.836 -0.076 173 HG13 VAL 19 HG13 VAL 19 5.839 -18.255 0.884 174 HG21 VAL 19 HG21 VAL 19 6.155 -16.814 2.996 175 HG22 VAL 19 HG22 VAL 19 6.434 -15.482 1.874 176 HG23 VAL 19 HG23 VAL 19 7.621 -15.837 3.128 177 H SER 20 HN SER 20 10.944 -19.099 2.751 178 HA SER 20 HA SER 20 11.018 -18.316 5.482 179 HB2 SER 20 HB2 SER 20 13.611 -18.640 4.052 180 HB3 SER 20 HB1 SER 20 12.980 -19.512 5.444 181 HG SER 20 HG SER 20 12.893 -20.166 2.795 182 H SER 21 HN SER 21 12.440 -16.536 6.467 183 HA SER 21 HA SER 21 11.815 -14.077 5.589 184 HB2 SER 21 HB2 SER 21 14.184 -14.919 7.230 185 HB3 SER 21 HB1 SER 21 13.710 -13.233 7.004 186 HG SER 21 HG SER 21 12.154 -13.521 8.375 187 H ARG 22 HN ARG 22 15.031 -15.574 4.809 188 HA ARG 22 HA ARG 22 16.000 -13.454 3.359 189 HB2 ARG 22 HB2 ARG 22 17.691 -14.912 3.484 190 HB3 ARG 22 HB1 ARG 22 16.726 -16.344 3.321 191 HG2 ARG 22 HG2 ARG 22 17.256 -14.662 0.900 192 HG3 ARG 22 HG1 ARG 22 18.554 -15.646 1.567 193 HD2 ARG 22 HD2 ARG 22 16.117 -17.181 1.370 194 HD3 ARG 22 HD1 ARG 22 16.531 -16.468 -0.188 195 HE ARG 22 HE ARG 22 17.898 -18.583 1.174 196 HH11 ARG 22 HH12 ARG 22 18.334 -15.964 -1.146 197 HH12 ARG 22 HH11 ARG 22 19.710 -16.698 -1.903 198 HH21 ARG 22 HH22 ARG 22 19.696 -19.544 0.176 199 HH22 ARG 22 HH21 ARG 22 20.487 -18.747 -1.144 200 H ASP 23 HN ASP 23 13.772 -15.919 1.915 201 HA ASP 23 HA ASP 23 13.914 -14.835 -0.708 202 HB2 ASP 23 HB2 ASP 23 12.162 -16.933 0.549 203 HB3 ASP 23 HB1 ASP 23 11.788 -16.301 -1.035 204 H VAL 24 HN VAL 24 11.616 -14.398 2.030 205 HA VAL 24 HA VAL 24 9.867 -12.855 0.475 206 HB VAL 24 HB VAL 24 8.767 -13.833 2.250 207 HG11 VAL 24 HG11 VAL 24 9.292 -13.714 4.549 208 HG12 VAL 24 HG12 VAL 24 10.663 -12.672 4.215 209 HG13 VAL 24 HG13 VAL 24 10.667 -14.340 3.632 210 HG21 VAL 24 HG21 VAL 24 7.681 -12.226 3.488 211 HG22 VAL 24 HG22 VAL 24 8.142 -11.389 2.008 212 HG23 VAL 24 HG23 VAL 24 9.049 -11.139 3.489 213 H GLU 25 HN GLU 25 12.381 -11.733 2.821 214 HA GLU 25 HA GLU 25 12.432 -9.094 2.095 215 HB2 GLU 25 HB2 GLU 25 14.263 -9.983 3.589 216 HB3 GLU 25 HB1 GLU 25 15.014 -10.690 2.171 217 HG2 GLU 25 HG2 GLU 25 15.725 -8.626 1.349 218 HG3 GLU 25 HG1 GLU 25 14.497 -7.739 2.235 219 H ASN 26 HN ASN 26 14.311 -11.478 -0.003 220 HA ASN 26 HA ASN 26 14.815 -9.403 -1.849 221 HB2 ASN 26 HB2 ASN 26 16.369 -11.351 -1.747 222 HB3 ASN 26 HB1 ASN 26 15.094 -12.373 -2.461 223 HD21 ASN 26 HD21 ASN 26 17.372 -9.801 -2.984 224 HD22 ASN 26 HD22 ASN 26 17.351 -9.865 -4.712 225 H GLU 27 HN GLU 27 12.714 -12.341 -2.629 226 HA GLU 27 HA GLU 27 11.689 -11.011 -4.866 227 HB2 GLU 27 HB2 GLU 27 11.798 -13.506 -4.682 228 HB3 GLU 27 HB1 GLU 27 10.426 -13.463 -3.597 229 HG2 GLU 27 HG2 GLU 27 8.945 -13.301 -5.302 230 HG3 GLU 27 HG1 GLU 27 9.910 -12.116 -6.181 231 H PHE 28 HN PHE 28 10.294 -11.070 -1.460 232 HA PHE 28 HA PHE 28 7.953 -9.924 -2.630 233 HB2 PHE 28 HB2 PHE 28 8.619 -10.785 0.030 234 HB3 PHE 28 HB1 PHE 28 7.811 -9.222 0.060 235 HD1 PHE 28 HD1 PHE 28 5.541 -8.979 -0.778 236 HD2 PHE 28 HD2 PHE 28 7.420 -12.826 -0.576 237 HE1 PHE 28 HE1 PHE 28 3.343 -10.059 -0.952 238 HE2 PHE 28 HE2 PHE 28 5.193 -13.903 -0.787 239 HZ PHE 28 HZ PHE 28 3.167 -12.515 -0.952 240 H ARG 29 HN ARG 29 10.759 -8.439 -0.795 241 HA ARG 29 HA ARG 29 10.104 -5.819 -1.226 242 HB2 ARG 29 HB2 ARG 29 12.197 -5.083 -0.865 243 HB3 ARG 29 HB1 ARG 29 12.496 -6.746 -0.395 244 HG2 ARG 29 HG2 ARG 29 13.703 -7.198 -2.361 245 HG3 ARG 29 HG1 ARG 29 12.908 -5.897 -3.250 246 HD2 ARG 29 HD2 ARG 29 14.138 -4.294 -1.729 247 HD3 ARG 29 HD1 ARG 29 15.105 -5.683 -1.212 248 HE ARG 29 HE ARG 29 16.150 -5.695 -3.230 249 HH11 ARG 29 HH12 ARG 29 13.333 -3.582 -3.477 250 HH12 ARG 29 HH11 ARG 29 13.777 -2.993 -5.044 251 HH21 ARG 29 HH22 ARG 29 16.644 -4.967 -5.317 252 HH22 ARG 29 HH21 ARG 29 15.650 -3.779 -6.085 253 H LYS 30 HN LYS 30 11.237 -7.849 -4.198 254 HA LYS 30 HA LYS 30 11.089 -5.563 -5.826 255 HB2 LYS 30 HB2 LYS 30 11.371 -7.078 -7.482 256 HB3 LYS 30 HB1 LYS 30 10.848 -8.371 -6.433 257 HG2 LYS 30 HG2 LYS 30 9.643 -8.441 -8.538 258 HG3 LYS 30 HG1 LYS 30 8.500 -8.060 -7.271 259 HD2 LYS 30 HD2 LYS 30 9.102 -5.560 -8.098 260 HD3 LYS 30 HD1 LYS 30 9.384 -6.471 -9.610 261 HE2 LYS 30 HE2 LYS 30 6.815 -6.752 -7.986 262 HE3 LYS 30 HE1 LYS 30 7.029 -5.523 -9.226 263 HZ1 LYS 30 HZ1 LYS 30 7.398 -7.233 -10.907 264 HZ2 LYS 30 HZ2 LYS 30 5.943 -7.534 -10.088 265 HZ3 LYS 30 HZ3 LYS 30 7.309 -8.450 -9.730 266 H TYR 31 HN TYR 31 8.251 -7.190 -4.505 267 HA TYR 31 HA TYR 31 6.536 -5.764 -6.295 268 HB2 TYR 31 HB2 TYR 31 5.866 -7.577 -3.993 269 HB3 TYR 31 HB1 TYR 31 4.692 -6.926 -5.124 270 HD1 TYR 31 HD1 TYR 31 4.575 -7.833 -7.487 271 HD2 TYR 31 HD2 TYR 31 7.239 -9.494 -4.621 272 HE1 TYR 31 HE1 TYR 31 4.808 -9.893 -8.878 273 HE2 TYR 31 HE2 TYR 31 7.487 -11.522 -5.987 274 HH TYR 31 HH TYR 31 5.924 -12.673 -7.823 275 H GLY 32 HN GLY 32 7.177 -5.390 -2.708 276 HA2 GLY 32 HA2 GLY 32 6.448 -2.605 -3.153 277 HA3 GLY 32 HA1 GLY 32 5.575 -3.440 -1.877 278 H ASN 33 HN ASN 33 6.652 -1.637 -0.483 279 HA ASN 33 HA ASN 33 9.583 -1.997 -0.450 280 HB2 ASN 33 HB2 ASN 33 8.339 0.438 -0.794 281 HB3 ASN 33 HB1 ASN 33 8.557 0.396 0.951 282 HD21 ASN 33 HD21 ASN 33 9.949 2.113 0.775 283 HD22 ASN 33 HD22 ASN 33 11.575 1.914 0.203 284 H ILE 34 HN ILE 34 9.890 -3.617 1.009 285 HA ILE 34 HA ILE 34 8.477 -3.758 3.460 286 HB ILE 34 HB ILE 34 8.966 -5.862 2.923 287 HG12 ILE 34 HG12 ILE 34 10.179 -5.209 5.214 288 HG13 ILE 34 HG11 ILE 34 10.157 -6.844 4.577 289 HG21 ILE 34 HG21 ILE 34 11.117 -6.666 1.955 290 HG22 ILE 34 HG22 ILE 34 11.607 -4.975 1.834 291 HG23 ILE 34 HG23 ILE 34 10.186 -5.550 0.964 292 HD11 ILE 34 HD11 ILE 34 12.417 -6.756 3.980 293 HD12 ILE 34 HD12 ILE 34 12.375 -5.894 5.501 294 HD13 ILE 34 HD13 ILE 34 12.473 -5.004 4.003 295 H LEU 35 HN LEU 35 8.907 -3.087 5.565 296 HA LEU 35 HA LEU 35 11.524 -1.834 6.041 297 HB2 LEU 35 HB2 LEU 35 9.339 -1.243 8.045 298 HB3 LEU 35 HB1 LEU 35 10.692 -0.279 7.527 299 HG LEU 35 HG LEU 35 8.634 -0.619 5.423 300 HD11 LEU 35 HD11 LEU 35 7.198 -0.433 7.438 301 HD12 LEU 35 HD12 LEU 35 7.074 0.968 6.386 302 HD13 LEU 35 HD13 LEU 35 8.027 1.059 7.865 303 HD21 LEU 35 HD21 LEU 35 10.173 1.725 6.558 304 HD22 LEU 35 HD22 LEU 35 8.928 1.898 5.332 305 HD23 LEU 35 HD23 LEU 35 10.383 0.979 4.972 306 H LYS 36 HN LYS 36 9.330 -4.329 7.152 307 HA LYS 36 HA LYS 36 11.599 -5.733 8.226 308 HB2 LYS 36 HB2 LYS 36 10.805 -6.322 10.388 309 HB3 LYS 36 HB1 LYS 36 10.667 -4.588 10.289 310 HG2 LYS 36 HG2 LYS 36 8.416 -4.608 10.472 311 HG3 LYS 36 HG1 LYS 36 8.238 -6.121 9.584 312 HD2 LYS 36 HD2 LYS 36 9.241 -7.279 11.598 313 HD3 LYS 36 HD1 LYS 36 9.083 -5.759 12.457 314 HE2 LYS 36 HE2 LYS 36 6.764 -7.156 11.149 315 HE3 LYS 36 HE1 LYS 36 7.229 -7.410 12.829 316 HZ1 LYS 36 HZ1 LYS 36 6.446 -4.783 11.653 317 HZ2 LYS 36 HZ2 LYS 36 6.857 -5.082 13.270 318 HZ3 LYS 36 HZ3 LYS 36 5.469 -5.779 12.615 319 H CYS 37 HN CYS 37 11.243 -8.110 8.403 320 HA CYS 37 HA CYS 37 8.643 -9.083 7.467 321 HB2 CYS 37 HB2 CYS 37 10.151 -10.796 6.111 322 HB3 CYS 37 HB1 CYS 37 9.686 -9.259 5.381 323 HG CYS 37 HG CYS 37 12.560 -9.127 7.090 324 H ASP 38 HN ASP 38 8.083 -10.110 9.283 325 HA ASP 38 HA ASP 38 10.247 -11.794 10.545 326 HB2 ASP 38 HB2 ASP 38 9.270 -9.913 11.881 327 HB3 ASP 38 HB1 ASP 38 7.752 -10.822 11.968 328 H VAL 39 HN VAL 39 9.953 -13.877 11.210 329 HA VAL 39 HA VAL 39 7.689 -15.348 10.100 330 HB VAL 39 HB VAL 39 10.397 -16.441 11.100 331 HG11 VAL 39 HG11 VAL 39 9.794 -18.653 10.517 332 HG12 VAL 39 HG12 VAL 39 8.217 -18.162 9.924 333 HG13 VAL 39 HG13 VAL 39 8.587 -18.062 11.657 334 HG21 VAL 39 HG21 VAL 39 10.219 -15.394 8.758 335 HG22 VAL 39 HG22 VAL 39 9.264 -16.832 8.356 336 HG23 VAL 39 HG23 VAL 39 10.918 -17.005 8.907 337 H LYS 40 HN LYS 40 5.986 -15.604 11.566 338 HA LYS 40 HA LYS 40 6.691 -16.188 14.387 339 HB2 LYS 40 HB2 LYS 40 4.348 -14.784 13.089 340 HB3 LYS 40 HB1 LYS 40 4.202 -15.364 14.732 341 HG2 LYS 40 HG2 LYS 40 5.223 -13.596 15.553 342 HG3 LYS 40 HG1 LYS 40 6.628 -13.836 14.506 343 HD2 LYS 40 HD2 LYS 40 5.852 -11.703 13.815 344 HD3 LYS 40 HD1 LYS 40 5.051 -12.767 12.662 345 HE2 LYS 40 HE2 LYS 40 3.346 -11.370 13.277 346 HE3 LYS 40 HE1 LYS 40 3.096 -12.709 14.401 347 HZ1 LYS 40 HZ1 LYS 40 4.443 -10.120 14.944 348 HZ2 LYS 40 HZ2 LYS 40 4.466 -11.417 16.020 349 HZ3 LYS 40 HZ3 LYS 40 2.998 -10.686 15.613 350 H LYS 41 HN LYS 41 5.772 -18.387 15.271 351 HA LYS 41 HA LYS 41 4.299 -19.773 13.146 352 HB2 LYS 41 HB2 LYS 41 5.784 -21.586 12.823 353 HB3 LYS 41 HB1 LYS 41 6.941 -20.318 13.117 354 HG2 LYS 41 HG2 LYS 41 6.076 -22.462 15.060 355 HG3 LYS 41 HG1 LYS 41 7.623 -22.322 14.233 356 HD2 LYS 41 HD2 LYS 41 6.513 -20.459 16.315 357 HD3 LYS 41 HD1 LYS 41 7.820 -21.619 16.545 358 HE2 LYS 41 HE2 LYS 41 8.827 -20.176 14.501 359 HE3 LYS 41 HE1 LYS 41 7.823 -18.942 15.269 360 HZ1 LYS 41 HZ1 LYS 41 10.088 -18.949 16.120 361 HZ2 LYS 41 HZ2 LYS 41 9.914 -20.550 16.636 362 HZ3 LYS 41 HZ3 LYS 41 8.982 -19.327 17.342 363 H THR 42 HN THR 42 2.631 -21.381 14.027 364 HA THR 42 HA THR 42 2.429 -21.001 16.905 365 HB THR 42 HB THR 42 0.465 -20.330 15.490 366 HG1 THR 42 HG1 THR 42 -1.051 -21.746 16.877 367 HG21 THR 42 HG21 THR 42 0.294 -23.284 14.973 368 HG22 THR 42 HG22 THR 42 0.220 -21.973 13.806 369 HG23 THR 42 HG23 THR 42 -1.121 -22.244 14.910 370 H VAL 43 HN VAL 43 1.178 -23.026 18.060 371 HA VAL 43 HA VAL 43 3.008 -25.239 17.911 372 HB VAL 43 HB VAL 43 0.510 -25.377 19.612 373 HG11 VAL 43 HG11 VAL 43 3.363 -26.154 20.118 374 HG12 VAL 43 HG12 VAL 43 2.031 -27.224 19.674 375 HG13 VAL 43 HG13 VAL 43 2.007 -26.382 21.223 376 HG21 VAL 43 HG21 VAL 43 1.523 -24.028 21.376 377 HG22 VAL 43 HG22 VAL 43 1.232 -23.051 19.946 378 HG23 VAL 43 HG23 VAL 43 2.866 -23.599 20.321 379 H SER 44 HN SER 44 0.237 -24.614 16.094 380 HA SER 44 HA SER 44 -0.751 -27.364 16.069 381 HB2 SER 44 HB2 SER 44 -1.932 -25.364 14.138 382 HB3 SER 44 HB1 SER 44 -2.773 -26.527 15.166 383 HG SER 44 HG SER 44 -2.845 -25.110 16.759 384 H GLY 45 HN GLY 45 1.863 -26.092 14.801 385 HA2 GLY 45 HA2 GLY 45 3.232 -26.845 13.092 386 HA3 GLY 45 HA1 GLY 45 1.917 -27.838 12.504 387 H ALA 46 HN ALA 46 0.525 -24.897 12.559 388 HA ALA 46 HA ALA 46 1.047 -24.400 9.778 389 HB1 ALA 46 HB1 ALA 46 -0.836 -23.022 11.728 390 HB2 ALA 46 HB2 ALA 46 -1.247 -24.217 10.502 391 HB3 ALA 46 HB3 ALA 46 -0.704 -22.616 10.029 392 H ALA 47 HN ALA 47 2.345 -22.745 8.939 393 HA ALA 47 HA ALA 47 3.811 -21.120 10.902 394 HB1 ALA 47 HB1 ALA 47 4.821 -21.626 8.081 395 HB2 ALA 47 HB2 ALA 47 5.213 -22.686 9.442 396 HB3 ALA 47 HB3 ALA 47 5.715 -21.001 9.466 397 H PHE 48 HN PHE 48 3.923 -18.760 10.613 398 HA PHE 48 HA PHE 48 2.328 -17.785 8.300 399 HB2 PHE 48 HB2 PHE 48 2.641 -16.455 11.021 400 HB3 PHE 48 HB1 PHE 48 1.471 -16.046 9.768 401 HD1 PHE 48 HD2 PHE 48 -0.420 -17.486 9.348 402 HD2 PHE 48 HD1 PHE 48 2.271 -18.223 12.557 403 HE1 PHE 48 HE2 PHE 48 -2.030 -19.023 10.333 404 HE2 PHE 48 HE1 PHE 48 0.653 -19.712 13.558 405 HZ PHE 48 HZ PHE 48 -1.515 -20.152 12.470 406 H ALA 49 HN ALA 49 3.222 -15.925 7.230 407 HA ALA 49 HA ALA 49 5.523 -14.771 8.547 408 HB1 ALA 49 HB1 ALA 49 6.219 -16.020 6.535 409 HB2 ALA 49 HB2 ALA 49 6.658 -14.321 6.471 410 HB3 ALA 49 HB3 ALA 49 5.274 -14.909 5.547 411 H PHE 50 HN PHE 50 5.680 -12.656 8.836 412 HA PHE 50 HA PHE 50 3.249 -11.142 8.458 413 HB2 PHE 50 HB2 PHE 50 4.425 -11.903 10.712 414 HB3 PHE 50 HB1 PHE 50 5.450 -10.494 10.425 415 HD1 PHE 50 HD2 PHE 50 1.779 -11.174 10.057 416 HD2 PHE 50 HD1 PHE 50 4.819 -8.776 11.829 417 HE1 PHE 50 HE2 PHE 50 0.054 -9.809 11.148 418 HE2 PHE 50 HE1 PHE 50 3.099 -7.419 12.941 419 HZ PHE 50 HZ PHE 50 0.712 -7.934 12.601 420 H ILE 51 HN ILE 51 3.470 -9.117 7.142 421 HA ILE 51 HA ILE 51 6.310 -8.653 6.280 422 HB ILE 51 HB ILE 51 4.530 -8.215 4.015 423 HG12 ILE 51 HG12 ILE 51 4.924 -11.187 4.626 424 HG13 ILE 51 HG11 ILE 51 3.454 -10.332 5.189 425 HG21 ILE 51 HG21 ILE 51 6.993 -8.318 4.049 426 HG22 ILE 51 HG22 ILE 51 6.279 -9.398 2.853 427 HG23 ILE 51 HG23 ILE 51 6.902 -10.045 4.373 428 HD11 ILE 51 HD11 ILE 51 4.273 -11.149 2.455 429 HD12 ILE 51 HD12 ILE 51 3.273 -9.705 2.621 430 HD13 ILE 51 HD13 ILE 51 2.711 -11.255 3.242 431 H GLU 52 HN GLU 52 6.714 -6.649 6.803 432 HA GLU 52 HA GLU 52 4.485 -4.793 7.167 433 HB2 GLU 52 HB2 GLU 52 6.157 -5.045 8.972 434 HB3 GLU 52 HB1 GLU 52 7.377 -4.425 7.879 435 HG2 GLU 52 HG2 GLU 52 6.369 -2.260 7.849 436 HG3 GLU 52 HG1 GLU 52 4.968 -2.835 8.762 437 H PHE 53 HN PHE 53 3.820 -3.678 5.366 438 HA PHE 53 HA PHE 53 5.862 -2.787 3.423 439 HB2 PHE 53 HB2 PHE 53 3.215 -4.036 3.022 440 HB3 PHE 53 HB1 PHE 53 3.759 -2.867 1.827 441 HD1 PHE 53 HD1 PHE 53 5.976 -5.205 3.663 442 HD2 PHE 53 HD2 PHE 53 4.007 -4.349 -0.001 443 HE1 PHE 53 HE1 PHE 53 7.306 -6.923 2.537 444 HE2 PHE 53 HE2 PHE 53 5.334 -6.052 -1.104 445 HZ PHE 53 HZ PHE 53 7.002 -7.341 0.145 446 H GLU 54 HN GLU 54 5.893 -0.681 2.592 447 HA GLU 54 HA GLU 54 4.006 1.130 3.893 448 HB2 GLU 54 HB2 GLU 54 5.160 3.015 3.266 449 HB3 GLU 54 HB1 GLU 54 6.431 1.859 3.507 450 HG2 GLU 54 HG2 GLU 54 6.494 1.563 0.970 451 HG3 GLU 54 HG1 GLU 54 5.393 2.946 0.877 452 H ASP 55 HN ASP 55 4.332 -0.155 0.593 453 HA ASP 55 HA ASP 55 1.842 1.285 -0.077 454 HB2 ASP 55 HB2 ASP 55 3.614 -0.078 -2.083 455 HB3 ASP 55 HB1 ASP 55 2.516 1.273 -2.368 456 H ALA 56 HN ALA 56 0.063 -0.289 0.206 457 HA ALA 56 HA ALA 56 0.500 -2.998 -0.543 458 HB1 ALA 56 HB1 ALA 56 -2.241 -1.855 -0.371 459 HB2 ALA 56 HB2 ALA 56 -1.302 -2.365 1.031 460 HB3 ALA 56 HB3 ALA 56 -1.743 -3.524 -0.217 461 H ARG 57 HN ARG 57 -0.713 -0.322 -2.493 462 HA ARG 57 HA ARG 57 -2.143 -1.846 -4.352 463 HB2 ARG 57 HB2 ARG 57 -2.534 -0.012 -5.717 464 HB3 ARG 57 HB1 ARG 57 -2.469 0.635 -4.090 465 HG2 ARG 57 HG2 ARG 57 0.007 1.257 -4.672 466 HG3 ARG 57 HG1 ARG 57 -0.460 0.903 -6.326 467 HD2 ARG 57 HD2 ARG 57 -2.349 2.651 -4.932 468 HD3 ARG 57 HD1 ARG 57 -0.729 3.321 -5.056 469 HE ARG 57 HE ARG 57 -1.774 2.277 -7.531 470 HH11 ARG 57 HH11 ARG 57 -1.520 5.071 -5.420 471 HH12 ARG 57 HH12 ARG 57 -1.794 6.221 -6.682 472 HH21 ARG 57 HH21 ARG 57 -2.139 3.810 -9.210 473 HH22 ARG 57 HH22 ARG 57 -2.148 5.506 -8.844 474 H ASP 58 HN ASP 58 1.295 -0.677 -4.793 475 HA ASP 58 HA ASP 58 1.718 -2.219 -7.098 476 HB2 ASP 58 HB2 ASP 58 3.960 -1.563 -5.147 477 HB3 ASP 58 HB1 ASP 58 4.054 -1.796 -6.899 478 H ALA 59 HN ALA 59 2.702 -3.324 -3.746 479 HA ALA 59 HA ALA 59 3.438 -5.843 -4.222 480 HB1 ALA 59 HB1 ALA 59 1.932 -5.370 -1.706 481 HB2 ALA 59 HB2 ALA 59 3.453 -4.551 -2.039 482 HB3 ALA 59 HB3 ALA 59 3.393 -6.296 -2.002 483 H ALA 60 HN ALA 60 0.148 -4.829 -4.402 484 HA ALA 60 HA ALA 60 -1.463 -6.930 -4.268 485 HB1 ALA 60 HB1 ALA 60 -2.453 -4.846 -4.688 486 HB2 ALA 60 HB2 ALA 60 -2.858 -5.792 -6.108 487 HB3 ALA 60 HB3 ALA 60 -1.565 -4.599 -6.191 488 H ASP 61 HN ASP 61 0.692 -6.412 -7.270 489 HA ASP 61 HA ASP 61 -0.097 -8.649 -8.705 490 HB2 ASP 61 HB2 ASP 61 2.790 -7.792 -8.360 491 HB3 ASP 61 HB1 ASP 61 2.204 -8.980 -9.506 492 H ALA 62 HN ALA 62 2.351 -8.796 -6.031 493 HA ALA 62 HA ALA 62 2.527 -11.631 -6.102 494 HB1 ALA 62 HB1 ALA 62 3.481 -11.609 -3.822 495 HB2 ALA 62 HB2 ALA 62 3.223 -9.873 -3.734 496 HB3 ALA 62 HB3 ALA 62 4.307 -10.554 -4.938 497 H ILE 63 HN ILE 63 0.455 -9.478 -4.135 498 HA ILE 63 HA ILE 63 -0.365 -11.679 -2.611 499 HB ILE 63 HB ILE 63 -0.671 -8.939 -2.349 500 HG12 ILE 63 HG12 ILE 63 -0.605 -11.239 -0.736 501 HG13 ILE 63 HG11 ILE 63 -0.438 -9.565 -0.232 502 HG21 ILE 63 HG21 ILE 63 -2.886 -9.026 -3.485 503 HG22 ILE 63 HG22 ILE 63 -2.996 -8.492 -1.810 504 HG23 ILE 63 HG23 ILE 63 -3.439 -10.140 -2.238 505 HD11 ILE 63 HD11 ILE 63 -3.006 -11.143 -0.347 506 HD12 ILE 63 HD12 ILE 63 -2.879 -9.463 0.134 507 HD13 ILE 63 HD13 ILE 63 -2.103 -10.731 1.097 508 H LYS 64 HN LYS 64 -2.158 -10.210 -5.385 509 HA LYS 64 HA LYS 64 -4.041 -12.190 -5.491 510 HB2 LYS 64 HB2 LYS 64 -4.378 -11.695 -7.888 511 HB3 LYS 64 HB1 LYS 64 -4.429 -10.275 -6.882 512 HG2 LYS 64 HG2 LYS 64 -3.275 -9.548 -8.788 513 HG3 LYS 64 HG1 LYS 64 -1.965 -9.880 -7.668 514 HD2 LYS 64 HD2 LYS 64 -1.257 -11.778 -8.852 515 HD3 LYS 64 HD1 LYS 64 -2.795 -11.953 -9.713 516 HE2 LYS 64 HE2 LYS 64 -0.694 -9.838 -10.083 517 HE3 LYS 64 HE1 LYS 64 -1.031 -11.175 -11.159 518 HZ1 LYS 64 HZ1 LYS 64 -3.243 -10.232 -11.511 519 HZ2 LYS 64 HZ2 LYS 64 -2.014 -9.183 -12.012 520 HZ3 LYS 64 HZ3 LYS 64 -2.827 -8.904 -10.554 521 H GLU 65 HN GLU 65 -0.702 -12.357 -6.603 522 HA GLU 65 HA GLU 65 -1.213 -14.699 -8.221 523 HB2 GLU 65 HB2 GLU 65 0.796 -14.248 -9.113 524 HB3 GLU 65 HB1 GLU 65 0.702 -12.745 -8.224 525 HG2 GLU 65 HG2 GLU 65 1.976 -13.999 -6.374 526 HG3 GLU 65 HG1 GLU 65 2.215 -15.171 -7.631 527 H LYS 66 HN LYS 66 -0.537 -14.187 -4.846 528 HA LYS 66 HA LYS 66 -0.387 -17.096 -4.590 529 HB2 LYS 66 HB2 LYS 66 0.108 -15.145 -2.310 530 HB3 LYS 66 HB1 LYS 66 0.685 -16.790 -2.492 531 HG2 LYS 66 HG2 LYS 66 1.740 -15.146 -4.598 532 HG3 LYS 66 HG1 LYS 66 2.039 -14.377 -3.051 533 HD2 LYS 66 HD2 LYS 66 3.273 -16.273 -2.272 534 HD3 LYS 66 HD1 LYS 66 2.782 -17.255 -3.644 535 HE2 LYS 66 HE2 LYS 66 4.024 -14.974 -4.754 536 HE3 LYS 66 HE1 LYS 66 5.026 -15.476 -3.397 537 HZ1 LYS 66 HZ1 LYS 66 5.652 -16.540 -5.488 538 HZ2 LYS 66 HZ2 LYS 66 4.124 -17.262 -5.593 539 HZ3 LYS 66 HZ3 LYS 66 5.170 -17.676 -4.331 540 H ASP 67 HN ASP 67 -2.871 -15.224 -5.056 541 HA ASP 67 HA ASP 67 -4.344 -15.480 -2.582 542 HB2 ASP 67 HB2 ASP 67 -5.750 -13.911 -2.979 543 HB3 ASP 67 HB1 ASP 67 -4.590 -13.376 -4.136 544 H GLY 68 HN GLY 68 -6.765 -16.195 -2.699 545 HA2 GLY 68 HA2 GLY 68 -7.930 -18.238 -3.443 546 HA3 GLY 68 HA1 GLY 68 -6.343 -18.901 -3.774 547 H CYS 69 HN CYS 69 -6.980 -17.095 -0.768 548 HA CYS 69 HA CYS 69 -5.809 -18.880 0.945 549 HB2 CYS 69 HB2 CYS 69 -6.427 -16.728 1.888 550 HB3 CYS 69 HB1 CYS 69 -8.154 -17.025 1.629 551 HG CYS 69 HG CYS 69 -8.111 -19.178 3.578 552 H ASP 70 HN ASP 70 -6.152 -20.733 1.767 553 HA ASP 70 HA ASP 70 -8.829 -21.893 1.644 554 HB2 ASP 70 HB2 ASP 70 -6.948 -22.449 -0.253 555 HB3 ASP 70 HB1 ASP 70 -6.735 -23.797 0.865 556 H PHE 71 HN PHE 71 -9.202 -23.755 3.012 557 HA PHE 71 HA PHE 71 -7.486 -24.216 5.229 558 HB2 PHE 71 HB2 PHE 71 -8.797 -22.002 5.669 559 HB3 PHE 71 HB1 PHE 71 -10.203 -23.052 5.822 560 HD1 PHE 71 HD2 PHE 71 -6.958 -22.136 7.270 561 HD2 PHE 71 HD1 PHE 71 -10.481 -24.508 7.769 562 HE1 PHE 71 HE2 PHE 71 -6.340 -22.565 9.610 563 HE2 PHE 71 HE1 PHE 71 -9.855 -24.924 10.112 564 HZ PHE 71 HZ PHE 71 -7.787 -23.956 11.034 565 H GLU 72 HN GLU 72 -8.242 -26.107 6.319 566 HA GLU 72 HA GLU 72 -9.277 -28.051 6.659 567 HB2 GLU 72 HB2 GLU 72 -11.340 -26.429 6.617 568 HB3 GLU 72 HB1 GLU 72 -11.659 -27.100 5.038 569 HG2 GLU 72 HG2 GLU 72 -11.833 -29.374 6.174 570 HG3 GLU 72 HG1 GLU 72 -11.844 -28.475 7.706 571 H GLY 73 HN GLY 73 -7.495 -28.506 5.011 572 HA2 GLY 73 HA2 GLY 73 -7.000 -30.513 3.891 573 HA3 GLY 73 HA1 GLY 73 -8.608 -30.519 3.215 574 H ASN 74 HN ASN 74 -8.144 -27.615 2.190 575 HA ASN 74 HA ASN 74 -5.743 -28.194 0.537 576 HB2 ASN 74 HB2 ASN 74 -7.624 -25.838 -0.202 577 HB3 ASN 74 HB1 ASN 74 -6.317 -26.546 -1.109 578 HD21 ASN 74 HD21 ASN 74 -7.659 -26.654 -2.849 579 HD22 ASN 74 HD22 ASN 74 -8.821 -27.922 -3.019 580 H LYS 75 HN LYS 75 -3.878 -27.131 1.102 581 HA LYS 75 HA LYS 75 -4.327 -25.253 3.392 582 HB2 LYS 75 HB2 LYS 75 -2.447 -27.392 3.143 583 HB3 LYS 75 HB1 LYS 75 -1.503 -25.924 3.018 584 HG2 LYS 75 HG2 LYS 75 -1.365 -26.047 5.254 585 HG3 LYS 75 HG1 LYS 75 -2.995 -25.404 5.272 586 HD2 LYS 75 HD2 LYS 75 -2.796 -28.378 5.057 587 HD3 LYS 75 HD1 LYS 75 -2.234 -27.682 6.560 588 HE2 LYS 75 HE2 LYS 75 -4.931 -26.830 5.549 589 HE3 LYS 75 HE1 LYS 75 -4.744 -28.421 6.297 590 HZ1 LYS 75 HZ1 LYS 75 -3.986 -25.823 7.500 591 HZ2 LYS 75 HZ2 LYS 75 -3.809 -27.332 8.241 592 HZ3 LYS 75 HZ3 LYS 75 -5.353 -26.732 7.895 593 H LEU 76 HN LEU 76 -4.567 -23.015 2.484 594 HA LEU 76 HA LEU 76 -2.100 -21.980 1.256 595 HB2 LEU 76 HB2 LEU 76 -4.317 -22.810 -0.418 596 HB3 LEU 76 HB1 LEU 76 -3.955 -21.118 -0.620 597 HG LEU 76 HG LEU 76 -1.569 -22.798 -0.709 598 HD11 LEU 76 HD11 LEU 76 -2.052 -23.728 -2.922 599 HD12 LEU 76 HD12 LEU 76 -3.715 -23.151 -2.790 600 HD13 LEU 76 HD13 LEU 76 -3.120 -24.387 -1.682 601 HD21 LEU 76 HD21 LEU 76 -1.128 -21.437 -2.679 602 HD22 LEU 76 HD22 LEU 76 -1.634 -20.426 -1.324 603 HD23 LEU 76 HD23 LEU 76 -2.774 -20.801 -2.616 604 H ARG 77 HN ARG 77 -2.575 -20.324 3.379 605 HA ARG 77 HA ARG 77 -4.822 -18.521 2.786 606 HB2 ARG 77 HB2 ARG 77 -5.190 -18.968 5.009 607 HB3 ARG 77 HB1 ARG 77 -3.540 -19.486 5.255 608 HG2 ARG 77 HG2 ARG 77 -3.986 -17.640 6.724 609 HG3 ARG 77 HG1 ARG 77 -2.801 -17.161 5.534 610 HD2 ARG 77 HD2 ARG 77 -4.046 -15.279 5.540 611 HD3 ARG 77 HD1 ARG 77 -4.967 -16.140 4.336 612 HE ARG 77 HE ARG 77 -6.553 -16.773 6.087 613 HH11 ARG 77 HH11 ARG 77 -4.428 -14.057 6.778 614 HH12 ARG 77 HH12 ARG 77 -5.480 -13.377 7.967 615 HH21 ARG 77 HH21 ARG 77 -7.932 -15.855 7.670 616 HH22 ARG 77 HH22 ARG 77 -7.473 -14.401 8.481 617 H VAL 78 HN VAL 78 -4.368 -16.545 1.642 618 HA VAL 78 HA VAL 78 -1.947 -15.159 2.521 619 HB VAL 78 HB VAL 78 -2.685 -15.623 -0.431 620 HG11 VAL 78 HG11 VAL 78 -1.648 -13.766 -1.141 621 HG12 VAL 78 HG12 VAL 78 -0.439 -13.804 0.131 622 HG13 VAL 78 HG13 VAL 78 -2.035 -13.130 0.460 623 HG21 VAL 78 HG21 VAL 78 -1.120 -17.252 0.230 624 HG22 VAL 78 HG22 VAL 78 -0.300 -16.184 1.353 625 HG23 VAL 78 HG23 VAL 78 -0.069 -15.970 -0.375 626 H GLU 79 HN GLU 79 -2.640 -12.979 3.364 627 HA GLU 79 HA GLU 79 -5.057 -11.832 2.217 628 HB2 GLU 79 HB2 GLU 79 -6.056 -13.243 3.765 629 HB3 GLU 79 HB1 GLU 79 -4.827 -12.963 4.986 630 HG2 GLU 79 HG2 GLU 79 -6.963 -12.045 5.638 631 HG3 GLU 79 HG1 GLU 79 -5.796 -10.747 5.472 632 H VAL 80 HN VAL 80 -5.018 -9.723 2.104 633 HA VAL 80 HA VAL 80 -3.108 -8.189 3.677 634 HB VAL 80 HB VAL 80 -4.301 -6.242 2.370 635 HG11 VAL 80 HG11 VAL 80 -1.996 -6.607 2.160 636 HG12 VAL 80 HG12 VAL 80 -2.639 -6.558 0.514 637 HG13 VAL 80 HG13 VAL 80 -2.227 -8.094 1.275 638 HG21 VAL 80 HG21 VAL 80 -6.031 -7.523 1.286 639 HG22 VAL 80 HG22 VAL 80 -4.837 -8.599 0.562 640 HG23 VAL 80 HG23 VAL 80 -4.912 -6.909 0.065 641 HA PRO 81 HA PRO 81 -6.479 -6.583 6.222 642 HB2 PRO 81 HB2 PRO 81 -4.729 -5.447 8.055 643 HB3 PRO 81 HB1 PRO 81 -5.430 -7.066 8.184 644 HG2 PRO 81 HG2 PRO 81 -2.707 -6.341 7.710 645 HG3 PRO 81 HG1 PRO 81 -3.401 -7.955 7.918 646 HD2 PRO 81 HD2 PRO 81 -2.579 -6.602 5.472 647 HD3 PRO 81 HD1 PRO 81 -2.962 -8.316 5.742 648 H PHE 82 HN PHE 82 -4.980 -5.352 3.897 649 HA PHE 82 HA PHE 82 -5.353 -2.515 4.661 650 HB2 PHE 82 HB2 PHE 82 -3.891 -3.214 2.081 651 HB3 PHE 82 HB1 PHE 82 -3.931 -1.718 2.980 652 HD1 PHE 82 HD2 PHE 82 -3.123 -2.230 5.622 653 HD2 PHE 82 HD1 PHE 82 -1.782 -4.105 2.053 654 HE1 PHE 82 HE2 PHE 82 -0.987 -2.722 6.667 655 HE2 PHE 82 HE1 PHE 82 0.378 -4.565 3.121 656 HZ PHE 82 HZ PHE 82 0.758 -3.874 5.415 657 H ASN 83 HN ASN 83 -6.379 -5.084 2.674 658 HA ASN 83 HA ASN 83 -7.793 -5.319 0.895 659 HB2 ASN 83 HB2 ASN 83 -9.203 -3.049 2.322 660 HB3 ASN 83 HB1 ASN 83 -9.867 -3.840 0.905 661 HD21 ASN 83 HD21 ASN 83 -8.102 -5.610 3.387 662 HD22 ASN 83 HD22 ASN 83 -9.471 -6.474 3.984 663 H ALA 84 HN ALA 84 -5.645 -4.244 -0.210 664 HA ALA 84 HA ALA 84 -4.740 -3.120 -1.937 665 HB1 ALA 84 HB1 ALA 84 -6.078 -2.135 -3.666 666 HB2 ALA 84 HB2 ALA 84 -7.480 -2.082 -2.599 667 HB3 ALA 84 HB3 ALA 84 -6.848 -3.639 -3.141 668 H ARG 85 HN ARG 85 -6.024 -1.623 0.657 669 HA ARG 85 HA ARG 85 -5.673 0.312 1.767 670 HB2 ARG 85 HB2 ARG 85 -3.405 0.444 0.717 671 HB3 ARG 85 HB1 ARG 85 -4.101 1.244 -0.672 672 HG2 ARG 85 HG2 ARG 85 -4.640 2.662 1.821 673 HG3 ARG 85 HG1 ARG 85 -2.923 2.489 1.460 674 HD2 ARG 85 HD2 ARG 85 -3.710 3.267 -0.963 675 HD3 ARG 85 HD1 ARG 85 -5.041 3.967 -0.043 676 HE ARG 85 HE ARG 85 -3.482 5.331 1.125 677 HH11 ARG 85 HH12 ARG 85 -2.107 3.616 -1.638 678 HH12 ARG 85 HH11 ARG 85 -0.755 4.684 -1.781 679 HH21 ARG 85 HH22 ARG 85 -1.680 6.699 0.936 680 HH22 ARG 85 HH21 ARG 85 -0.512 6.436 -0.318 681 H GLU 86 HN GLU 86 -6.997 2.030 2.062 682 HA GLU 86 HA GLU 86 -9.076 2.403 0.072 683 HB2 GLU 86 HB2 GLU 86 -9.080 2.159 2.873 684 HB3 GLU 86 HB1 GLU 86 -9.392 3.865 2.589 685 HG2 GLU 86 HG2 GLU 86 -11.531 2.885 2.733 686 HG3 GLU 86 HG1 GLU 86 -11.264 3.087 0.999 Start of MODEL 2 1 H1 GLY -2 HT1 GLY -2 -13.294 -2.445 2.237 2 H2 GLY -2 HT2 GLY -2 -11.648 -2.151 2.485 3 H3 GLY -2 HT3 GLY -2 -12.223 -2.474 0.931 4 HA2 GLY -2 HA1 GLY -2 -13.462 -0.435 0.898 5 HA3 GLY -2 HA2 GLY -2 -12.943 -0.093 2.543 6 H SER -1 HN SER -1 -12.200 1.934 1.411 7 HA SER -1 HA SER -1 -9.355 1.690 0.988 8 HB2 SER -1 HB2 SER -1 -10.430 1.430 -1.312 9 HB3 SER -1 HB1 SER -1 -10.990 3.093 -1.143 10 HG SER -1 HG SER -1 -8.876 2.649 -2.251 11 H HIS 0 HN HIS 0 -8.245 3.588 1.458 12 HA HIS 0 HA HIS 0 -9.751 6.023 2.095 13 HB2 HIS 0 HB2 HIS 0 -7.694 4.795 3.968 14 HB3 HIS 0 HB1 HIS 0 -8.411 6.384 4.163 15 HD1 HIS 0 HD1 HIS 0 -11.279 6.116 4.237 16 HD2 HIS 0 HD2 HIS 0 -8.868 3.000 5.567 17 HE1 HIS 0 HE1 HIS 0 -12.751 4.685 5.681 18 HE2 HIS 0 HE2 HIS 0 -11.206 2.960 6.668 19 H MET 1 HN MET 1 -8.398 7.940 2.017 20 HA MET 1 HA MET 1 -5.712 7.513 0.894 21 HB2 MET 1 HB2 MET 1 -7.780 9.502 -0.037 22 HB3 MET 1 HB1 MET 1 -6.072 9.703 -0.374 23 HG2 MET 1 HG2 MET 1 -6.807 8.707 -2.305 24 HG3 MET 1 HG1 MET 1 -6.249 7.317 -1.387 25 HE1 MET 1 HE1 MET 1 -9.599 9.475 -1.279 26 HE2 MET 1 HE2 MET 1 -10.649 8.420 -2.225 27 HE3 MET 1 HE3 MET 1 -9.250 9.180 -2.982 28 H VAL 2 HN VAL 2 -6.955 8.229 3.599 29 HA VAL 2 HA VAL 2 -5.319 10.607 4.139 30 HB VAL 2 HB VAL 2 -6.966 11.182 5.988 31 HG11 VAL 2 HG11 VAL 2 -8.579 12.295 4.489 32 HG12 VAL 2 HG12 VAL 2 -7.988 11.309 3.151 33 HG13 VAL 2 HG13 VAL 2 -6.915 12.471 3.928 34 HG21 VAL 2 HG21 VAL 2 -8.737 9.235 4.500 35 HG22 VAL 2 HG22 VAL 2 -9.272 10.347 5.764 36 HG23 VAL 2 HG23 VAL 2 -8.139 9.054 6.148 37 H ILE 3 HN ILE 3 -5.298 10.673 6.825 38 HA ILE 3 HA ILE 3 -4.517 9.827 8.762 39 HB ILE 3 HB ILE 3 -5.491 7.154 7.682 40 HG12 ILE 3 HG12 ILE 3 -6.841 8.869 9.767 41 HG13 ILE 3 HG11 ILE 3 -7.163 9.077 8.047 42 HG21 ILE 3 HG21 ILE 3 -5.532 6.318 9.991 43 HG22 ILE 3 HG22 ILE 3 -4.755 7.793 10.557 44 HG23 ILE 3 HG23 ILE 3 -3.890 6.691 9.478 45 HD11 ILE 3 HD11 ILE 3 -7.598 6.538 9.625 46 HD12 ILE 3 HD12 ILE 3 -7.938 6.767 7.909 47 HD13 ILE 3 HD13 ILE 3 -8.848 7.676 9.117 48 H ARG 4 HN ARG 4 -2.485 10.624 7.871 49 HA ARG 4 HA ARG 4 -0.623 8.701 6.809 50 HB2 ARG 4 HB2 ARG 4 -0.016 11.475 7.863 51 HB3 ARG 4 HB1 ARG 4 1.006 10.483 6.831 52 HG2 ARG 4 HG2 ARG 4 0.087 11.646 5.099 53 HG3 ARG 4 HG1 ARG 4 -1.337 10.642 5.391 54 HD2 ARG 4 HD2 ARG 4 -1.653 12.616 7.260 55 HD3 ARG 4 HD1 ARG 4 -0.916 13.490 5.920 56 HE ARG 4 HE ARG 4 -3.494 12.107 5.904 57 HH11 ARG 4 HH11 ARG 4 -1.178 14.111 4.177 58 HH12 ARG 4 HH12 ARG 4 -2.317 14.588 2.963 59 HH21 ARG 4 HH21 ARG 4 -4.987 12.776 4.318 60 HH22 ARG 4 HH22 ARG 4 -4.477 13.829 3.043 61 H GLU 5 HN GLU 5 -0.326 7.048 8.353 62 HA GLU 5 HA GLU 5 1.411 7.183 10.461 63 HB2 GLU 5 HB2 GLU 5 0.218 7.348 12.538 64 HB3 GLU 5 HB1 GLU 5 -0.278 8.722 11.580 65 HG2 GLU 5 HG2 GLU 5 -2.472 7.693 11.161 66 HG3 GLU 5 HG1 GLU 5 -1.976 6.231 12.027 67 H SER 6 HN SER 6 1.044 5.176 12.037 68 HA SER 6 HA SER 6 0.726 2.976 12.365 69 HB2 SER 6 HB2 SER 6 -1.321 2.977 10.106 70 HB3 SER 6 HB1 SER 6 -1.046 1.681 11.275 71 HG SER 6 HG SER 6 -2.265 4.165 11.611 72 H VAL 7 HN VAL 7 0.333 0.949 10.206 73 HA VAL 7 HA VAL 7 2.606 1.328 8.488 74 HB VAL 7 HB VAL 7 3.701 0.778 10.667 75 HG11 VAL 7 HG11 VAL 7 2.372 -1.914 10.427 76 HG12 VAL 7 HG12 VAL 7 2.075 -0.697 11.670 77 HG13 VAL 7 HG13 VAL 7 3.646 -1.490 11.568 78 HG21 VAL 7 HG21 VAL 7 5.246 -0.951 9.885 79 HG22 VAL 7 HG22 VAL 7 4.922 0.239 8.629 80 HG23 VAL 7 HG23 VAL 7 4.149 -1.347 8.567 81 H SER 8 HN SER 8 2.512 0.080 6.716 82 HA SER 8 HA SER 8 0.125 -1.540 6.373 83 HB2 SER 8 HB2 SER 8 0.241 -0.592 4.315 84 HB3 SER 8 HB1 SER 8 1.861 0.020 4.644 85 HG SER 8 HG SER 8 2.722 -1.652 3.641 86 H ARG 9 HN ARG 9 0.034 -3.750 6.399 87 HA ARG 9 HA ARG 9 2.578 -5.239 6.144 88 HB2 ARG 9 HB2 ARG 9 2.209 -6.648 8.139 89 HB3 ARG 9 HB1 ARG 9 2.423 -4.961 8.574 90 HG2 ARG 9 HG2 ARG 9 -0.360 -5.327 8.317 91 HG3 ARG 9 HG1 ARG 9 0.222 -6.765 9.146 92 HD2 ARG 9 HD2 ARG 9 0.020 -5.534 10.991 93 HD3 ARG 9 HD1 ARG 9 1.536 -4.793 10.491 94 HE ARG 9 HE ARG 9 0.377 -2.897 9.788 95 HH11 ARG 9 HH11 ARG 9 -1.879 -5.339 10.970 96 HH12 ARG 9 HH12 ARG 9 -3.204 -4.229 11.096 97 HH21 ARG 9 HH21 ARG 9 -1.390 -1.454 9.963 98 HH22 ARG 9 HH22 ARG 9 -2.928 -2.024 10.525 99 H ILE 10 HN ILE 10 2.298 -7.720 5.656 100 HA ILE 10 HA ILE 10 -0.520 -8.282 4.955 101 HB ILE 10 HB ILE 10 2.055 -9.262 3.709 102 HG12 ILE 10 HG12 ILE 10 -0.462 -8.046 2.634 103 HG13 ILE 10 HG11 ILE 10 1.174 -7.475 2.487 104 HG21 ILE 10 HG21 ILE 10 0.794 -11.370 4.251 105 HG22 ILE 10 HG22 ILE 10 1.141 -11.149 2.542 106 HG23 ILE 10 HG23 ILE 10 -0.485 -10.845 3.143 107 HD11 ILE 10 HD11 ILE 10 0.131 -9.884 1.018 108 HD12 ILE 10 HD12 ILE 10 1.645 -9.037 0.767 109 HD13 ILE 10 HD13 ILE 10 0.150 -8.245 0.374 110 H TYR 11 HN TYR 11 -1.505 -9.963 5.842 111 HA TYR 11 HA TYR 11 -0.002 -11.626 7.778 112 HB2 TYR 11 HB2 TYR 11 -2.169 -10.341 8.374 113 HB3 TYR 11 HB1 TYR 11 -3.017 -11.566 7.436 114 HD1 TYR 11 HD1 TYR 11 -3.155 -13.902 8.294 115 HD2 TYR 11 HD2 TYR 11 -1.238 -10.815 10.517 116 HE1 TYR 11 HE1 TYR 11 -3.274 -15.287 10.325 117 HE2 TYR 11 HE2 TYR 11 -1.347 -12.202 12.546 118 HH TYR 11 HH TYR 11 -2.075 -15.500 12.480 119 H VAL 12 HN VAL 12 0.708 -13.773 6.883 120 HA VAL 12 HA VAL 12 -1.254 -14.911 4.998 121 HB VAL 12 HB VAL 12 0.464 -14.148 3.420 122 HG11 VAL 12 HG11 VAL 12 2.849 -14.657 3.715 123 HG12 VAL 12 HG12 VAL 12 2.490 -15.258 5.333 124 HG13 VAL 12 HG13 VAL 12 2.196 -13.565 4.935 125 HG21 VAL 12 HG21 VAL 12 1.255 -17.044 3.930 126 HG22 VAL 12 HG22 VAL 12 1.535 -16.099 2.475 127 HG23 VAL 12 HG23 VAL 12 -0.098 -16.535 2.927 128 H GLY 13 HN GLY 13 -2.185 -16.587 6.126 129 HA2 GLY 13 HA2 GLY 13 -0.307 -18.340 7.655 130 HA3 GLY 13 HA1 GLY 13 -1.982 -18.058 8.107 131 H ASN 14 HN ASN 14 -1.236 -20.677 7.945 132 HA ASN 14 HA ASN 14 -1.442 -22.702 6.865 133 HB2 ASN 14 HB2 ASN 14 -3.826 -21.337 5.587 134 HB3 ASN 14 HB1 ASN 14 -3.591 -23.067 5.784 135 HD21 ASN 14 HD21 ASN 14 -3.728 -23.966 7.897 136 HD22 ASN 14 HD22 ASN 14 -4.570 -23.126 9.154 137 H LEU 15 HN LEU 15 0.178 -20.676 5.243 138 HA LEU 15 HA LEU 15 -0.222 -21.288 2.504 139 HB2 LEU 15 HB2 LEU 15 1.718 -19.969 2.060 140 HB3 LEU 15 HB1 LEU 15 0.853 -19.163 3.347 141 HG LEU 15 HG LEU 15 3.188 -20.946 4.011 142 HD11 LEU 15 HD11 LEU 15 4.152 -19.535 2.345 143 HD12 LEU 15 HD12 LEU 15 4.631 -18.891 3.918 144 HD13 LEU 15 HD13 LEU 15 3.352 -18.103 2.996 145 HD21 LEU 15 HD21 LEU 15 3.439 -19.172 5.815 146 HD22 LEU 15 HD22 LEU 15 2.035 -20.232 5.934 147 HD23 LEU 15 HD23 LEU 15 1.846 -18.588 5.323 148 HA PRO 16 HA PRO 16 2.046 -25.144 2.486 149 HB2 PRO 16 HB2 PRO 16 2.366 -25.358 -0.249 150 HB3 PRO 16 HB1 PRO 16 0.910 -25.850 0.628 151 HG2 PRO 16 HG2 PRO 16 1.407 -23.458 -1.019 152 HG3 PRO 16 HG1 PRO 16 -0.104 -24.339 -0.725 153 HD2 PRO 16 HD2 PRO 16 0.598 -21.937 0.427 154 HD3 PRO 16 HD1 PRO 16 -0.626 -23.043 1.073 155 H SER 17 HN SER 17 4.303 -25.350 2.862 156 HA SER 17 HA SER 17 6.501 -24.912 2.959 157 HB2 SER 17 HB2 SER 17 6.537 -25.620 0.547 158 HB3 SER 17 HB1 SER 17 6.340 -23.925 0.088 159 HG SER 17 HG SER 17 8.346 -23.487 0.760 160 H HIS 18 HN HIS 18 6.808 -23.387 4.450 161 HA HIS 18 HA HIS 18 5.916 -20.715 4.193 162 HB2 HIS 18 HB2 HIS 18 7.238 -20.268 6.296 163 HB3 HIS 18 HB1 HIS 18 6.056 -21.555 6.423 164 HD1 HIS 18 HD1 HIS 18 6.936 -23.929 6.891 165 HD2 HIS 18 HD2 HIS 18 9.922 -21.052 6.546 166 HE1 HIS 18 HE1 HIS 18 9.035 -25.037 7.713 167 HE2 HIS 18 HE2 HIS 18 10.842 -23.296 7.445 168 H VAL 19 HN VAL 19 6.799 -18.908 3.585 169 HA VAL 19 HA VAL 19 8.935 -18.949 1.726 170 HB VAL 19 HB VAL 19 8.484 -16.392 1.651 171 HG11 VAL 19 HG11 VAL 19 7.349 -17.763 0.062 172 HG12 VAL 19 HG12 VAL 19 6.167 -16.651 0.748 173 HG13 VAL 19 HG13 VAL 19 6.209 -18.326 1.282 174 HG21 VAL 19 HG21 VAL 19 6.551 -15.509 2.792 175 HG22 VAL 19 HG22 VAL 19 7.702 -16.126 3.980 176 HG23 VAL 19 HG23 VAL 19 6.268 -17.066 3.573 177 H SER 20 HN SER 20 11.234 -18.858 2.189 178 HA SER 20 HA SER 20 12.042 -18.361 4.907 179 HB2 SER 20 HB2 SER 20 14.351 -18.601 3.113 180 HB3 SER 20 HB1 SER 20 13.738 -19.744 4.310 181 HG SER 20 HG SER 20 13.127 -19.532 1.572 182 H SER 21 HN SER 21 13.645 -16.727 5.658 183 HA SER 21 HA SER 21 12.916 -14.210 5.234 184 HB2 SER 21 HB2 SER 21 15.200 -13.557 6.149 185 HB3 SER 21 HB1 SER 21 14.254 -14.692 7.104 186 HG SER 21 HG SER 21 16.593 -15.158 6.688 187 H ARG 22 HN ARG 22 15.860 -15.530 3.579 188 HA ARG 22 HA ARG 22 16.432 -13.268 2.107 189 HB2 ARG 22 HB2 ARG 22 18.174 -14.618 1.787 190 HB3 ARG 22 HB1 ARG 22 17.262 -16.094 1.809 191 HG2 ARG 22 HG2 ARG 22 17.239 -14.362 -0.653 192 HG3 ARG 22 HG1 ARG 22 18.648 -15.341 -0.271 193 HD2 ARG 22 HD2 ARG 22 16.290 -16.960 0.004 194 HD3 ARG 22 HD1 ARG 22 16.273 -16.152 -1.565 195 HE ARG 22 HE ARG 22 18.065 -18.217 -0.688 196 HH11 ARG 22 HH12 ARG 22 17.665 -15.566 -2.967 197 HH12 ARG 22 HH11 ARG 22 18.815 -16.192 -4.099 198 HH21 ARG 22 HH22 ARG 22 19.601 -19.019 -2.148 199 HH22 ARG 22 HH21 ARG 22 19.926 -18.180 -3.617 200 H ASP 23 HN ASP 23 14.114 -15.813 0.967 201 HA ASP 23 HA ASP 23 13.520 -14.630 -1.523 202 HB2 ASP 23 HB2 ASP 23 11.490 -16.359 -0.078 203 HB3 ASP 23 HB1 ASP 23 11.772 -16.237 -1.803 204 H VAL 24 HN VAL 24 12.062 -14.078 1.797 205 HA VAL 24 HA VAL 24 10.130 -12.352 0.764 206 HB VAL 24 HB VAL 24 11.066 -11.753 3.505 207 HG11 VAL 24 HG11 VAL 24 9.223 -10.615 2.516 208 HG12 VAL 24 HG12 VAL 24 8.801 -11.475 3.994 209 HG13 VAL 24 HG13 VAL 24 8.360 -12.151 2.429 210 HG21 VAL 24 HG21 VAL 24 10.510 -14.490 3.019 211 HG22 VAL 24 HG22 VAL 24 9.097 -13.761 3.812 212 HG23 VAL 24 HG23 VAL 24 10.683 -13.657 4.565 213 H GLU 25 HN GLU 25 13.496 -11.584 1.976 214 HA GLU 25 HA GLU 25 13.179 -8.895 1.661 215 HB2 GLU 25 HB2 GLU 25 15.376 -10.294 2.366 216 HB3 GLU 25 HB1 GLU 25 15.762 -9.977 0.684 217 HG2 GLU 25 HG2 GLU 25 15.070 -7.481 1.469 218 HG3 GLU 25 HG1 GLU 25 15.735 -8.136 2.968 219 H ASN 26 HN ASN 26 14.391 -11.173 -1.072 220 HA ASN 26 HA ASN 26 14.137 -8.801 -2.687 221 HB2 ASN 26 HB2 ASN 26 15.271 -11.449 -3.321 222 HB3 ASN 26 HB1 ASN 26 14.650 -10.472 -4.646 223 HD21 ASN 26 HD21 ASN 26 16.909 -10.529 -1.979 224 HD22 ASN 26 HD22 ASN 26 17.926 -9.265 -2.572 225 H GLU 27 HN GLU 27 12.407 -12.010 -3.028 226 HA GLU 27 HA GLU 27 10.818 -10.952 -5.099 227 HB2 GLU 27 HB2 GLU 27 11.354 -13.388 -4.475 228 HB3 GLU 27 HB1 GLU 27 10.010 -13.269 -3.362 229 HG2 GLU 27 HG2 GLU 27 9.442 -14.366 -5.509 230 HG3 GLU 27 HG1 GLU 27 8.449 -12.942 -5.187 231 H PHE 28 HN PHE 28 10.401 -10.772 -1.503 232 HA PHE 28 HA PHE 28 7.784 -9.754 -2.103 233 HB2 PHE 28 HB2 PHE 28 9.061 -10.580 0.431 234 HB3 PHE 28 HB1 PHE 28 7.760 -9.403 0.505 235 HD1 PHE 28 HD1 PHE 28 5.500 -9.999 -0.167 236 HD2 PHE 28 HD2 PHE 28 8.566 -12.964 -0.115 237 HE1 PHE 28 HE1 PHE 28 3.806 -11.763 -0.194 238 HE2 PHE 28 HE2 PHE 28 6.853 -14.719 -0.234 239 HZ PHE 28 HZ PHE 28 4.475 -14.129 -0.212 240 H ARG 29 HN ARG 29 10.974 -8.264 -1.124 241 HA ARG 29 HA ARG 29 10.089 -5.697 -0.931 242 HB2 ARG 29 HB2 ARG 29 12.090 -4.703 -1.695 243 HB3 ARG 29 HB1 ARG 29 12.574 -6.170 -0.865 244 HG2 ARG 29 HG2 ARG 29 14.015 -6.117 -2.694 245 HG3 ARG 29 HG1 ARG 29 12.732 -7.167 -3.326 246 HD2 ARG 29 HD2 ARG 29 11.771 -5.138 -4.495 247 HD3 ARG 29 HD1 ARG 29 13.133 -4.190 -3.893 248 HE ARG 29 HE ARG 29 13.978 -6.498 -5.344 249 HH11 ARG 29 HH12 ARG 29 12.864 -3.192 -5.696 250 HH12 ARG 29 HH11 ARG 29 13.617 -2.961 -7.237 251 HH21 ARG 29 HH22 ARG 29 14.966 -6.195 -7.397 252 HH22 ARG 29 HH21 ARG 29 14.816 -4.673 -8.208 253 H LYS 30 HN LYS 30 10.120 -7.557 -4.063 254 HA LYS 30 HA LYS 30 9.231 -5.402 -5.617 255 HB2 LYS 30 HB2 LYS 30 9.235 -7.066 -7.133 256 HB3 LYS 30 HB1 LYS 30 8.983 -8.292 -5.916 257 HG2 LYS 30 HG2 LYS 30 7.426 -8.446 -7.761 258 HG3 LYS 30 HG1 LYS 30 6.533 -8.154 -6.300 259 HD2 LYS 30 HD2 LYS 30 6.529 -5.688 -7.040 260 HD3 LYS 30 HD1 LYS 30 7.071 -6.293 -8.601 261 HE2 LYS 30 HE2 LYS 30 4.595 -7.326 -7.235 262 HE3 LYS 30 HE1 LYS 30 4.579 -5.915 -8.295 263 HZ1 LYS 30 HZ1 LYS 30 5.509 -7.307 -10.070 264 HZ2 LYS 30 HZ2 LYS 30 4.015 -7.885 -9.535 265 HZ3 LYS 30 HZ3 LYS 30 5.441 -8.652 -9.049 266 H TYR 31 HN TYR 31 7.378 -6.452 -2.855 267 HA TYR 31 HA TYR 31 4.836 -5.833 -4.145 268 HB2 TYR 31 HB2 TYR 31 5.651 -6.802 -1.445 269 HB3 TYR 31 HB1 TYR 31 4.041 -6.281 -1.736 270 HD1 TYR 31 HD1 TYR 31 6.300 -8.476 -3.842 271 HD2 TYR 31 HD2 TYR 31 2.744 -8.167 -1.498 272 HE1 TYR 31 HE1 TYR 31 5.771 -10.806 -4.336 273 HE2 TYR 31 HE2 TYR 31 2.195 -10.519 -2.069 274 HH TYR 31 HH TYR 31 4.563 -12.577 -3.515 275 H GLY 32 HN GLY 32 6.589 -4.373 -1.195 276 HA2 GLY 32 HA2 GLY 32 6.300 -1.916 -2.659 277 HA3 GLY 32 HA1 GLY 32 5.297 -2.002 -1.234 278 H ASN 33 HN ASN 33 8.668 -3.130 -1.790 279 HA ASN 33 HA ASN 33 10.604 -2.747 -0.738 280 HB2 ASN 33 HB2 ASN 33 9.969 -0.325 -1.535 281 HB3 ASN 33 HB1 ASN 33 9.776 -0.028 0.170 282 HD21 ASN 33 HD21 ASN 33 11.970 -0.543 -2.382 283 HD22 ASN 33 HD22 ASN 33 13.425 -0.278 -1.493 284 H ILE 34 HN ILE 34 10.117 -4.295 0.800 285 HA ILE 34 HA ILE 34 8.759 -3.825 3.191 286 HB ILE 34 HB ILE 34 8.768 -6.065 3.077 287 HG12 ILE 34 HG12 ILE 34 10.299 -5.572 5.147 288 HG13 ILE 34 HG11 ILE 34 10.052 -7.221 4.596 289 HG21 ILE 34 HG21 ILE 34 10.644 -7.412 2.021 290 HG22 ILE 34 HG22 ILE 34 11.312 -5.852 1.529 291 HG23 ILE 34 HG23 ILE 34 9.705 -6.340 0.997 292 HD11 ILE 34 HD11 ILE 34 12.245 -7.186 3.529 293 HD12 ILE 34 HD12 ILE 34 12.381 -6.807 5.230 294 HD13 ILE 34 HD13 ILE 34 12.494 -5.526 4.041 295 H LEU 35 HN LEU 35 9.332 -3.120 5.337 296 HA LEU 35 HA LEU 35 12.158 -2.339 5.670 297 HB2 LEU 35 HB2 LEU 35 10.438 -1.425 7.902 298 HB3 LEU 35 HB1 LEU 35 11.704 -0.608 7.041 299 HG LEU 35 HG LEU 35 9.740 0.697 6.872 300 HD11 LEU 35 HD11 LEU 35 9.276 0.837 4.464 301 HD12 LEU 35 HD12 LEU 35 10.210 -0.637 4.220 302 HD13 LEU 35 HD13 LEU 35 10.993 0.810 4.854 303 HD21 LEU 35 HD21 LEU 35 8.195 -1.303 7.283 304 HD22 LEU 35 HD22 LEU 35 8.147 -1.436 5.520 305 HD23 LEU 35 HD23 LEU 35 7.620 0.044 6.314 306 H LYS 36 HN LYS 36 9.732 -4.538 6.774 307 HA LYS 36 HA LYS 36 11.545 -5.777 8.700 308 HB2 LYS 36 HB2 LYS 36 9.950 -3.922 9.745 309 HB3 LYS 36 HB1 LYS 36 8.767 -5.224 9.717 310 HG2 LYS 36 HG2 LYS 36 10.707 -6.574 10.870 311 HG3 LYS 36 HG1 LYS 36 11.309 -4.977 11.267 312 HD2 LYS 36 HD2 LYS 36 9.954 -4.971 13.026 313 HD3 LYS 36 HD1 LYS 36 8.594 -4.895 11.909 314 HE2 LYS 36 HE2 LYS 36 8.336 -6.723 13.535 315 HE3 LYS 36 HE1 LYS 36 8.444 -7.336 11.898 316 HZ1 LYS 36 HZ1 LYS 36 10.636 -7.298 13.897 317 HZ2 LYS 36 HZ2 LYS 36 10.787 -7.848 12.308 318 HZ3 LYS 36 HZ3 LYS 36 9.774 -8.664 13.387 319 H CYS 37 HN CYS 37 11.175 -8.150 8.741 320 HA CYS 37 HA CYS 37 8.562 -9.122 7.807 321 HB2 CYS 37 HB2 CYS 37 10.052 -10.969 6.570 322 HB3 CYS 37 HB1 CYS 37 9.582 -9.487 5.744 323 HG CYS 37 HG CYS 37 12.130 -8.286 6.538 324 H ASP 38 HN ASP 38 7.890 -10.143 9.612 325 HA ASP 38 HA ASP 38 10.011 -11.912 10.832 326 HB2 ASP 38 HB2 ASP 38 8.597 -10.127 12.203 327 HB3 ASP 38 HB1 ASP 38 7.475 -11.484 12.366 328 H VAL 39 HN VAL 39 9.626 -14.051 11.433 329 HA VAL 39 HA VAL 39 7.317 -15.330 10.147 330 HB VAL 39 HB VAL 39 10.182 -16.529 10.437 331 HG11 VAL 39 HG11 VAL 39 7.896 -18.235 9.428 332 HG12 VAL 39 HG12 VAL 39 8.662 -18.375 11.023 333 HG13 VAL 39 HG13 VAL 39 9.593 -18.647 9.561 334 HG21 VAL 39 HG21 VAL 39 8.650 -15.875 7.988 335 HG22 VAL 39 HG22 VAL 39 9.728 -17.236 7.993 336 HG23 VAL 39 HG23 VAL 39 10.348 -15.627 8.363 337 H LYS 40 HN LYS 40 5.943 -15.776 11.761 338 HA LYS 40 HA LYS 40 7.157 -16.868 14.213 339 HB2 LYS 40 HB2 LYS 40 4.793 -15.037 13.776 340 HB3 LYS 40 HB1 LYS 40 5.105 -15.798 15.341 341 HG2 LYS 40 HG2 LYS 40 7.501 -14.730 15.029 342 HG3 LYS 40 HG1 LYS 40 6.648 -13.672 13.916 343 HD2 LYS 40 HD2 LYS 40 4.980 -13.230 15.721 344 HD3 LYS 40 HD1 LYS 40 6.022 -14.109 16.834 345 HE2 LYS 40 HE2 LYS 40 6.585 -11.495 15.426 346 HE3 LYS 40 HE1 LYS 40 6.451 -11.794 17.155 347 HZ1 LYS 40 HZ1 LYS 40 8.630 -12.778 15.379 348 HZ2 LYS 40 HZ2 LYS 40 8.494 -13.120 17.035 349 HZ3 LYS 40 HZ3 LYS 40 8.747 -11.531 16.517 350 H LYS 41 HN LYS 41 6.021 -18.893 15.223 351 HA LYS 41 HA LYS 41 4.160 -19.995 13.253 352 HB2 LYS 41 HB2 LYS 41 5.359 -21.989 12.742 353 HB3 LYS 41 HB1 LYS 41 6.681 -20.871 12.880 354 HG2 LYS 41 HG2 LYS 41 5.840 -22.936 14.919 355 HG3 LYS 41 HG1 LYS 41 7.273 -22.944 13.894 356 HD2 LYS 41 HD2 LYS 41 6.654 -21.035 16.141 357 HD3 LYS 41 HD1 LYS 41 7.878 -22.305 16.148 358 HE2 LYS 41 HE2 LYS 41 8.968 -21.033 14.207 359 HE3 LYS 41 HE1 LYS 41 7.857 -19.715 14.584 360 HZ1 LYS 41 HZ1 LYS 41 10.010 -19.420 15.655 361 HZ2 LYS 41 HZ2 LYS 41 9.828 -20.883 16.482 362 HZ3 LYS 41 HZ3 LYS 41 8.781 -19.593 16.804 363 H THR 42 HN THR 42 2.453 -21.513 14.256 364 HA THR 42 HA THR 42 2.562 -21.133 17.130 365 HB THR 42 HB THR 42 0.509 -20.326 15.901 366 HG1 THR 42 HG1 THR 42 -0.938 -21.684 17.457 367 HG21 THR 42 HG21 THR 42 0.145 -23.255 15.385 368 HG22 THR 42 HG22 THR 42 -0.086 -21.913 14.273 369 HG23 THR 42 HG23 THR 42 -1.252 -22.204 15.554 370 H VAL 43 HN VAL 43 1.356 -23.077 18.421 371 HA VAL 43 HA VAL 43 2.939 -25.442 17.992 372 HB VAL 43 HB VAL 43 0.689 -25.415 20.025 373 HG11 VAL 43 HG11 VAL 43 3.513 -26.432 20.128 374 HG12 VAL 43 HG12 VAL 43 2.060 -27.388 19.828 375 HG13 VAL 43 HG13 VAL 43 2.292 -26.602 21.389 376 HG21 VAL 43 HG21 VAL 43 2.116 -24.240 21.666 377 HG22 VAL 43 HG22 VAL 43 1.617 -23.178 20.355 378 HG23 VAL 43 HG23 VAL 43 3.257 -23.829 20.389 379 H SER 44 HN SER 44 0.027 -24.495 16.600 380 HA SER 44 HA SER 44 -1.173 -27.169 16.561 381 HB2 SER 44 HB2 SER 44 -2.481 -25.056 14.861 382 HB3 SER 44 HB1 SER 44 -3.229 -26.145 16.029 383 HG SER 44 HG SER 44 -3.379 -24.325 17.111 384 H GLY 45 HN GLY 45 1.343 -25.970 15.044 385 HA2 GLY 45 HA2 GLY 45 2.478 -26.765 13.193 386 HA3 GLY 45 HA1 GLY 45 1.046 -27.657 12.725 387 H ALA 46 HN ALA 46 -0.122 -24.608 12.950 388 HA ALA 46 HA ALA 46 0.246 -24.089 10.126 389 HB1 ALA 46 HB1 ALA 46 -1.478 -22.576 12.142 390 HB2 ALA 46 HB2 ALA 46 -2.013 -23.847 11.044 391 HB3 ALA 46 HB3 ALA 46 -1.456 -22.312 10.403 392 H ALA 47 HN ALA 47 1.576 -22.467 9.252 393 HA ALA 47 HA ALA 47 3.164 -20.943 11.198 394 HB1 ALA 47 HB1 ALA 47 5.021 -20.759 9.633 395 HB2 ALA 47 HB2 ALA 47 4.087 -21.527 8.362 396 HB3 ALA 47 HB3 ALA 47 4.574 -22.459 9.780 397 H PHE 48 HN PHE 48 3.377 -18.573 10.966 398 HA PHE 48 HA PHE 48 1.636 -17.583 8.763 399 HB2 PHE 48 HB2 PHE 48 2.189 -16.167 11.399 400 HB3 PHE 48 HB1 PHE 48 0.897 -15.838 10.248 401 HD1 PHE 48 HD1 PHE 48 -0.923 -17.559 9.984 402 HD2 PHE 48 HD2 PHE 48 1.895 -17.597 13.163 403 HE1 PHE 48 HE1 PHE 48 -2.393 -19.016 11.274 404 HE2 PHE 48 HE2 PHE 48 0.433 -18.993 14.454 405 HZ PHE 48 HZ PHE 48 -1.733 -19.757 13.544 406 H ALA 49 HN ALA 49 2.488 -15.758 7.608 407 HA ALA 49 HA ALA 49 5.000 -14.740 8.668 408 HB1 ALA 49 HB1 ALA 49 5.412 -16.109 6.638 409 HB2 ALA 49 HB2 ALA 49 5.941 -14.449 6.434 410 HB3 ALA 49 HB3 ALA 49 4.443 -14.984 5.702 411 H PHE 50 HN PHE 50 5.424 -12.529 8.602 412 HA PHE 50 HA PHE 50 2.974 -10.937 8.465 413 HB2 PHE 50 HB2 PHE 50 3.812 -11.841 10.759 414 HB3 PHE 50 HB1 PHE 50 5.139 -10.688 10.569 415 HD1 PHE 50 HD1 PHE 50 1.432 -10.923 10.678 416 HD2 PHE 50 HD2 PHE 50 4.884 -8.523 11.308 417 HE1 PHE 50 HE1 PHE 50 0.036 -9.214 11.767 418 HE2 PHE 50 HE2 PHE 50 3.499 -6.805 12.389 419 HZ PHE 50 HZ PHE 50 1.073 -7.153 12.625 420 H ILE 51 HN ILE 51 3.428 -8.973 7.109 421 HA ILE 51 HA ILE 51 6.326 -8.529 6.675 422 HB ILE 51 HB ILE 51 5.405 -8.429 4.060 423 HG12 ILE 51 HG12 ILE 51 4.737 -11.174 5.077 424 HG13 ILE 51 HG11 ILE 51 3.480 -9.934 5.045 425 HG21 ILE 51 HG21 ILE 51 7.582 -8.976 4.774 426 HG22 ILE 51 HG22 ILE 51 6.944 -10.287 3.781 427 HG23 ILE 51 HG23 ILE 51 7.005 -10.458 5.536 428 HD11 ILE 51 HD11 ILE 51 4.969 -11.148 2.736 429 HD12 ILE 51 HD12 ILE 51 3.929 -9.717 2.583 430 HD13 ILE 51 HD13 ILE 51 3.255 -11.250 3.101 431 H GLU 52 HN GLU 52 6.771 -6.549 6.835 432 HA GLU 52 HA GLU 52 4.681 -4.529 6.693 433 HB2 GLU 52 HB2 GLU 52 7.435 -4.577 7.852 434 HB3 GLU 52 HB1 GLU 52 6.641 -3.041 7.571 435 HG2 GLU 52 HG2 GLU 52 6.354 -3.658 9.850 436 HG3 GLU 52 HG1 GLU 52 4.794 -3.779 9.052 437 H PHE 53 HN PHE 53 4.319 -3.587 4.673 438 HA PHE 53 HA PHE 53 6.704 -2.840 3.081 439 HB2 PHE 53 HB2 PHE 53 3.878 -3.013 2.054 440 HB3 PHE 53 HB1 PHE 53 5.344 -2.826 1.100 441 HD1 PHE 53 HD1 PHE 53 7.118 -4.857 2.221 442 HD2 PHE 53 HD2 PHE 53 2.960 -5.006 1.420 443 HE1 PHE 53 HE1 PHE 53 7.244 -7.298 2.063 444 HE2 PHE 53 HE2 PHE 53 3.059 -7.462 1.258 445 HZ PHE 53 HZ PHE 53 5.222 -8.604 1.559 446 H GLU 54 HN GLU 54 6.839 -0.725 2.048 447 HA GLU 54 HA GLU 54 5.406 1.359 3.500 448 HB2 GLU 54 HB2 GLU 54 6.828 2.960 2.721 449 HB3 GLU 54 HB1 GLU 54 7.866 1.563 2.672 450 HG2 GLU 54 HG2 GLU 54 7.371 1.380 0.197 451 HG3 GLU 54 HG1 GLU 54 6.517 2.923 0.324 452 H ASP 55 HN ASP 55 4.866 -0.133 0.369 453 HA ASP 55 HA ASP 55 2.837 1.929 -0.101 454 HB2 ASP 55 HB2 ASP 55 4.881 0.884 -1.746 455 HB3 ASP 55 HB1 ASP 55 3.374 0.329 -2.427 456 H ALA 56 HN ALA 56 0.763 1.130 0.442 457 HA ALA 56 HA ALA 56 0.220 -1.655 0.260 458 HB1 ALA 56 HB1 ALA 56 -1.785 0.596 0.612 459 HB2 ALA 56 HB2 ALA 56 -1.035 -0.400 1.865 460 HB3 ALA 56 HB3 ALA 56 -2.137 -1.127 0.707 461 H ARG 57 HN ARG 57 -0.178 0.851 -2.353 462 HA ARG 57 HA ARG 57 -2.302 -0.833 -3.413 463 HB2 ARG 57 HB2 ARG 57 -2.964 0.705 -4.964 464 HB3 ARG 57 HB1 ARG 57 -2.625 1.667 -3.549 465 HG2 ARG 57 HG2 ARG 57 -0.981 1.441 -6.101 466 HG3 ARG 57 HG1 ARG 57 -1.943 2.820 -5.597 467 HD2 ARG 57 HD2 ARG 57 -0.238 2.835 -3.542 468 HD3 ARG 57 HD1 ARG 57 0.758 1.951 -4.691 469 HE ARG 57 HE ARG 57 -0.247 4.671 -5.039 470 HH11 ARG 57 HH11 ARG 57 2.089 2.164 -5.875 471 HH12 ARG 57 HH12 ARG 57 3.069 3.234 -6.813 472 HH21 ARG 57 HH21 ARG 57 1.071 6.064 -6.222 473 HH22 ARG 57 HH22 ARG 57 2.488 5.462 -7.008 474 H ASP 58 HN ASP 58 1.138 -0.219 -4.252 475 HA ASP 58 HA ASP 58 1.194 -1.547 -6.735 476 HB2 ASP 58 HB2 ASP 58 3.099 -0.227 -5.649 477 HB3 ASP 58 HB1 ASP 58 3.466 -1.677 -4.718 478 H ALA 59 HN ALA 59 1.888 -3.043 -3.533 479 HA ALA 59 HA ALA 59 2.207 -5.610 -4.213 480 HB1 ALA 59 HB1 ALA 59 1.036 -4.543 -1.667 481 HB2 ALA 59 HB2 ALA 59 2.722 -4.822 -2.061 482 HB3 ALA 59 HB3 ALA 59 1.614 -6.191 -1.906 483 H ALA 60 HN ALA 60 -0.951 -4.088 -4.147 484 HA ALA 60 HA ALA 60 -2.759 -6.105 -3.855 485 HB1 ALA 60 HB1 ALA 60 -3.630 -3.906 -3.878 486 HB2 ALA 60 HB2 ALA 60 -4.330 -4.674 -5.288 487 HB3 ALA 60 HB3 ALA 60 -2.994 -3.538 -5.487 488 H ASP 61 HN ASP 61 -1.275 -5.263 -7.134 489 HA ASP 61 HA ASP 61 -2.310 -7.338 -8.666 490 HB2 ASP 61 HB2 ASP 61 0.571 -6.405 -8.844 491 HB3 ASP 61 HB1 ASP 61 -0.297 -7.394 -10.005 492 H ALA 62 HN ALA 62 0.563 -7.685 -6.595 493 HA ALA 62 HA ALA 62 0.760 -10.412 -7.242 494 HB1 ALA 62 HB1 ALA 62 2.206 -9.034 -4.954 495 HB2 ALA 62 HB2 ALA 62 2.785 -9.169 -6.623 496 HB3 ALA 62 HB3 ALA 62 2.556 -10.612 -5.647 497 H ILE 63 HN ILE 63 -0.965 -8.712 -4.671 498 HA ILE 63 HA ILE 63 -1.257 -11.104 -3.201 499 HB ILE 63 HB ILE 63 -1.485 -8.504 -2.452 500 HG12 ILE 63 HG12 ILE 63 -1.391 -11.002 -1.259 501 HG13 ILE 63 HG11 ILE 63 -1.175 -9.454 -0.498 502 HG21 ILE 63 HG21 ILE 63 -3.642 -7.964 -1.650 503 HG22 ILE 63 HG22 ILE 63 -4.316 -9.494 -2.201 504 HG23 ILE 63 HG23 ILE 63 -3.773 -8.290 -3.372 505 HD11 ILE 63 HD11 ILE 63 -3.660 -9.463 -0.040 506 HD12 ILE 63 HD12 ILE 63 -2.651 -10.597 0.853 507 HD13 ILE 63 HD13 ILE 63 -3.598 -11.154 -0.491 508 H LYS 64 HN LYS 64 -3.785 -9.384 -5.280 509 HA LYS 64 HA LYS 64 -5.387 -11.567 -5.469 510 HB2 LYS 64 HB2 LYS 64 -6.029 -10.871 -7.774 511 HB3 LYS 64 HB1 LYS 64 -6.095 -9.572 -6.617 512 HG2 LYS 64 HG2 LYS 64 -5.158 -8.509 -8.461 513 HG3 LYS 64 HG1 LYS 64 -3.712 -8.950 -7.549 514 HD2 LYS 64 HD2 LYS 64 -3.116 -10.643 -9.022 515 HD3 LYS 64 HD1 LYS 64 -4.741 -10.740 -9.744 516 HE2 LYS 64 HE2 LYS 64 -3.511 -8.114 -9.997 517 HE3 LYS 64 HE1 LYS 64 -2.556 -9.390 -10.740 518 HZ1 LYS 64 HZ1 LYS 64 -5.433 -8.892 -11.297 519 HZ2 LYS 64 HZ2 LYS 64 -4.410 -9.980 -12.101 520 HZ3 LYS 64 HZ3 LYS 64 -4.158 -8.315 -12.246 521 H GLU 65 HN GLU 65 -2.182 -11.337 -7.269 522 HA GLU 65 HA GLU 65 -2.699 -13.772 -8.648 523 HB2 GLU 65 HB2 GLU 65 -0.579 -13.698 -9.494 524 HB3 GLU 65 HB1 GLU 65 -0.748 -12.034 -8.985 525 HG2 GLU 65 HG2 GLU 65 1.148 -12.261 -7.853 526 HG3 GLU 65 HG1 GLU 65 0.312 -13.343 -6.816 527 H LYS 66 HN LYS 66 -1.487 -13.470 -5.224 528 HA LYS 66 HA LYS 66 -2.273 -16.332 -5.225 529 HB2 LYS 66 HB2 LYS 66 -1.210 -16.623 -2.983 530 HB3 LYS 66 HB1 LYS 66 -0.113 -16.276 -4.297 531 HG2 LYS 66 HG2 LYS 66 -1.010 -14.159 -2.310 532 HG3 LYS 66 HG1 LYS 66 0.365 -15.208 -2.012 533 HD2 LYS 66 HD2 LYS 66 0.064 -13.127 -4.192 534 HD3 LYS 66 HD1 LYS 66 1.158 -13.104 -2.820 535 HE2 LYS 66 HE2 LYS 66 1.340 -14.932 -5.252 536 HE3 LYS 66 HE1 LYS 66 2.386 -13.579 -4.849 537 HZ1 LYS 66 HZ1 LYS 66 3.432 -15.640 -4.273 538 HZ2 LYS 66 HZ2 LYS 66 2.144 -16.090 -3.274 539 HZ3 LYS 66 HZ3 LYS 66 3.111 -14.762 -2.865 540 H ASP 67 HN ASP 67 -4.413 -14.145 -5.090 541 HA ASP 67 HA ASP 67 -5.418 -14.554 -2.428 542 HB2 ASP 67 HB2 ASP 67 -6.787 -12.878 -2.356 543 HB3 ASP 67 HB1 ASP 67 -5.615 -12.223 -3.471 544 H GLY 68 HN GLY 68 -7.932 -14.838 -2.145 545 HA2 GLY 68 HA2 GLY 68 -9.426 -16.677 -2.662 546 HA3 GLY 68 HA1 GLY 68 -8.057 -17.510 -3.370 547 H CYS 69 HN CYS 69 -7.879 -15.811 -0.233 548 HA CYS 69 HA CYS 69 -6.677 -17.847 1.153 549 HB2 CYS 69 HB2 CYS 69 -8.044 -16.520 3.144 550 HB3 CYS 69 HB1 CYS 69 -6.571 -15.924 2.401 551 HG CYS 69 HG CYS 69 -9.543 -15.103 1.018 552 H ASP 70 HN ASP 70 -7.352 -19.796 1.918 553 HA ASP 70 HA ASP 70 -10.218 -20.141 2.293 554 HB2 ASP 70 HB2 ASP 70 -9.027 -21.126 0.122 555 HB3 ASP 70 HB1 ASP 70 -8.614 -22.432 1.241 556 H PHE 71 HN PHE 71 -10.832 -22.020 3.637 557 HA PHE 71 HA PHE 71 -9.121 -22.822 5.752 558 HB2 PHE 71 HB2 PHE 71 -10.853 -21.783 7.447 559 HB3 PHE 71 HB1 PHE 71 -9.518 -20.803 6.866 560 HD1 PHE 71 HD1 PHE 71 -13.114 -21.541 6.200 561 HD2 PHE 71 HD2 PHE 71 -9.943 -18.706 5.989 562 HE1 PHE 71 HE1 PHE 71 -14.715 -19.802 5.511 563 HE2 PHE 71 HE2 PHE 71 -11.535 -16.977 5.290 564 HZ PHE 71 HZ PHE 71 -13.922 -17.513 5.056 565 H GLU 72 HN GLU 72 -10.181 -24.547 6.972 566 HA GLU 72 HA GLU 72 -11.537 -26.338 7.248 567 HB2 GLU 72 HB2 GLU 72 -13.703 -24.865 5.722 568 HB3 GLU 72 HB1 GLU 72 -13.923 -26.362 6.600 569 HG2 GLU 72 HG2 GLU 72 -13.511 -23.586 7.702 570 HG3 GLU 72 HG1 GLU 72 -14.853 -24.678 7.907 571 H GLY 73 HN GLY 73 -9.753 -26.931 5.620 572 HA2 GLY 73 HA2 GLY 73 -9.545 -29.036 4.553 573 HA3 GLY 73 HA1 GLY 73 -11.111 -28.806 3.820 574 H ASN 74 HN ASN 74 -10.176 -26.030 2.726 575 HA ASN 74 HA ASN 74 -7.789 -26.971 1.250 576 HB2 ASN 74 HB2 ASN 74 -9.566 -24.557 0.502 577 HB3 ASN 74 HB1 ASN 74 -8.103 -25.051 -0.320 578 HD21 ASN 74 HD21 ASN 74 -8.100 -26.817 -1.670 579 HD22 ASN 74 HD22 ASN 74 -9.565 -27.554 -2.208 580 H LYS 75 HN LYS 75 -5.803 -26.184 1.858 581 HA LYS 75 HA LYS 75 -5.998 -24.211 4.095 582 HB2 LYS 75 HB2 LYS 75 -3.999 -26.407 3.698 583 HB3 LYS 75 HB1 LYS 75 -3.346 -24.861 4.174 584 HG2 LYS 75 HG2 LYS 75 -3.684 -26.055 6.164 585 HG3 LYS 75 HG1 LYS 75 -4.939 -24.834 6.112 586 HD2 LYS 75 HD2 LYS 75 -6.105 -27.137 4.973 587 HD3 LYS 75 HD1 LYS 75 -5.155 -27.721 6.311 588 HE2 LYS 75 HE2 LYS 75 -7.199 -25.507 6.533 589 HE3 LYS 75 HE1 LYS 75 -7.517 -27.201 6.877 590 HZ1 LYS 75 HZ1 LYS 75 -5.525 -25.509 8.267 591 HZ2 LYS 75 HZ2 LYS 75 -5.828 -27.137 8.603 592 HZ3 LYS 75 HZ3 LYS 75 -7.026 -25.976 8.881 593 H LEU 76 HN LEU 76 -5.851 -22.014 3.228 594 HA LEU 76 HA LEU 76 -3.381 -21.368 1.882 595 HB2 LEU 76 HB2 LEU 76 -4.665 -22.440 -0.018 596 HB3 LEU 76 HB1 LEU 76 -5.859 -21.163 0.124 597 HG LEU 76 HG LEU 76 -3.886 -19.579 -0.224 598 HD11 LEU 76 HD11 LEU 76 -2.727 -22.103 -1.367 599 HD12 LEU 76 HD12 LEU 76 -2.105 -21.177 -0.000 600 HD13 LEU 76 HD13 LEU 76 -2.091 -20.478 -1.619 601 HD21 LEU 76 HD21 LEU 76 -4.975 -21.262 -2.477 602 HD22 LEU 76 HD22 LEU 76 -4.176 -19.702 -2.668 603 HD23 LEU 76 HD23 LEU 76 -5.706 -19.808 -1.796 604 H ARG 77 HN ARG 77 -3.792 -19.728 4.009 605 HA ARG 77 HA ARG 77 -5.881 -17.795 3.285 606 HB2 ARG 77 HB2 ARG 77 -6.378 -18.292 5.438 607 HB3 ARG 77 HB1 ARG 77 -4.761 -18.863 5.780 608 HG2 ARG 77 HG2 ARG 77 -5.144 -17.069 7.273 609 HG3 ARG 77 HG1 ARG 77 -4.056 -16.450 6.041 610 HD2 ARG 77 HD2 ARG 77 -5.802 -14.848 6.716 611 HD3 ARG 77 HD1 ARG 77 -5.847 -15.199 5.006 612 HE ARG 77 HE ARG 77 -7.641 -16.928 6.287 613 HH11 ARG 77 HH11 ARG 77 -7.257 -13.519 5.698 614 HH12 ARG 77 HH12 ARG 77 -8.949 -13.173 5.717 615 HH21 ARG 77 HH22 ARG 77 -9.886 -16.482 6.345 616 HH22 ARG 77 HH21 ARG 77 -10.450 -14.865 6.081 617 H VAL 78 HN VAL 78 -4.992 -16.102 1.899 618 HA VAL 78 HA VAL 78 -2.620 -14.764 3.034 619 HB VAL 78 HB VAL 78 -3.417 -14.671 0.027 620 HG11 VAL 78 HG11 VAL 78 -2.208 -12.717 0.806 621 HG12 VAL 78 HG12 VAL 78 -1.168 -13.702 -0.221 622 HG13 VAL 78 HG13 VAL 78 -0.953 -13.718 1.529 623 HG21 VAL 78 HG21 VAL 78 -1.461 -16.472 1.476 624 HG22 VAL 78 HG22 VAL 78 -1.108 -15.904 -0.141 625 HG23 VAL 78 HG23 VAL 78 -2.556 -16.854 0.162 626 H GLU 79 HN GLU 79 -3.453 -12.761 4.064 627 HA GLU 79 HA GLU 79 -5.321 -11.278 2.394 628 HB2 GLU 79 HB2 GLU 79 -6.321 -12.599 4.455 629 HB3 GLU 79 HB1 GLU 79 -5.734 -11.197 5.340 630 HG2 GLU 79 HG2 GLU 79 -7.050 -9.837 3.534 631 HG3 GLU 79 HG1 GLU 79 -7.868 -11.369 3.245 632 H VAL 80 HN VAL 80 -5.019 -9.146 2.328 633 HA VAL 80 HA VAL 80 -2.915 -7.963 3.878 634 HB VAL 80 HB VAL 80 -3.586 -5.849 2.625 635 HG11 VAL 80 HG11 VAL 80 -1.720 -6.789 1.737 636 HG12 VAL 80 HG12 VAL 80 -2.820 -6.977 0.373 637 HG13 VAL 80 HG13 VAL 80 -2.504 -8.340 1.445 638 HG21 VAL 80 HG21 VAL 80 -5.172 -7.773 0.932 639 HG22 VAL 80 HG22 VAL 80 -4.949 -6.044 0.667 640 HG23 VAL 80 HG23 VAL 80 -5.889 -6.614 2.048 641 HA PRO 81 HA PRO 81 -5.816 -5.807 6.607 642 HB2 PRO 81 HB2 PRO 81 -4.096 -5.512 8.687 643 HB3 PRO 81 HB1 PRO 81 -5.026 -7.002 8.442 644 HG2 PRO 81 HG2 PRO 81 -2.171 -6.476 7.986 645 HG3 PRO 81 HG1 PRO 81 -2.991 -7.993 8.382 646 HD2 PRO 81 HD2 PRO 81 -2.103 -7.151 5.836 647 HD3 PRO 81 HD1 PRO 81 -3.102 -8.570 6.203 648 H PHE 82 HN PHE 82 -4.093 -4.832 4.388 649 HA PHE 82 HA PHE 82 -3.569 -2.204 5.552 650 HB2 PHE 82 HB2 PHE 82 -1.577 -1.815 4.253 651 HB3 PHE 82 HB1 PHE 82 -1.350 -3.212 5.271 652 HD1 PHE 82 HD1 PHE 82 -2.826 -3.047 1.747 653 HD2 PHE 82 HD2 PHE 82 0.378 -4.366 4.252 654 HE1 PHE 82 HE1 PHE 82 -1.732 -4.117 -0.174 655 HE2 PHE 82 HE2 PHE 82 1.409 -5.400 2.378 656 HZ PHE 82 HZ PHE 82 0.403 -5.304 0.144 657 H ASN 83 HN ASN 83 -5.726 -3.491 3.776 658 HA ASN 83 HA ASN 83 -5.240 -2.328 1.149 659 HB2 ASN 83 HB2 ASN 83 -6.546 -4.575 1.610 660 HB3 ASN 83 HB1 ASN 83 -7.934 -3.499 1.799 661 HD21 ASN 83 HD21 ASN 83 -8.726 -2.390 0.023 662 HD22 ASN 83 HD22 ASN 83 -8.299 -2.827 -1.593 663 H ALA 84 HN ALA 84 -5.118 -0.091 2.200 664 HA ALA 84 HA ALA 84 -7.369 1.429 1.397 665 HB1 ALA 84 HB1 ALA 84 -7.956 2.460 3.555 666 HB2 ALA 84 HB2 ALA 84 -6.876 1.342 4.390 667 HB3 ALA 84 HB3 ALA 84 -8.300 0.731 3.551 668 H ARG 85 HN ARG 85 -4.711 1.304 0.670 669 HA ARG 85 HA ARG 85 -2.912 2.489 0.101 670 HB2 ARG 85 HB2 ARG 85 -4.633 4.298 -0.289 671 HB3 ARG 85 HB1 ARG 85 -4.154 4.953 1.274 672 HG2 ARG 85 HG2 ARG 85 -1.750 4.645 -0.048 673 HG3 ARG 85 HG1 ARG 85 -2.859 5.184 -1.309 674 HD2 ARG 85 HD2 ARG 85 -3.530 7.055 0.237 675 HD3 ARG 85 HD1 ARG 85 -2.195 6.569 1.284 676 HE ARG 85 HE ARG 85 -2.034 7.998 -1.200 677 HH11 ARG 85 HH11 ARG 85 -0.168 5.968 1.018 678 HH12 ARG 85 HH12 ARG 85 1.358 6.549 0.442 679 HH21 ARG 85 HH21 ARG 85 -0.014 8.718 -1.951 680 HH22 ARG 85 HH22 ARG 85 1.443 8.116 -1.245 681 H GLU 86 HN GLU 86 -3.478 4.424 3.123 682 HA GLU 86 HA GLU 86 -1.298 2.921 4.348 683 HB2 GLU 86 HB2 GLU 86 -0.469 5.133 3.473 684 HB3 GLU 86 HB1 GLU 86 -1.597 5.927 4.558 685 HG2 GLU 86 HG2 GLU 86 -0.433 5.098 6.495 686 HG3 GLU 86 HG1 GLU 86 0.587 4.059 5.497 Start of MODEL 3 1 H1 GLY -2 HT1 GLY -2 -6.258 -3.901 -7.124 2 H2 GLY -2 HT2 GLY -2 -7.164 -3.156 -8.341 3 H3 GLY -2 HT3 GLY -2 -7.909 -4.232 -7.267 4 HA2 GLY -2 HA1 GLY -2 -8.439 -1.938 -6.705 5 HA3 GLY -2 HA2 GLY -2 -7.535 -2.744 -5.427 6 H SER -1 HN SER -1 -7.820 0.156 -6.446 7 HA SER -1 HA SER -1 -4.977 0.820 -6.279 8 HB2 SER -1 HB2 SER -1 -5.447 0.702 -8.687 9 HB3 SER -1 HB1 SER -1 -6.818 1.789 -8.485 10 HG SER -1 HG SER -1 -5.372 3.241 -8.955 11 H HIS 0 HN HIS 0 -4.697 2.367 -4.815 12 HA HIS 0 HA HIS 0 -6.466 4.657 -4.625 13 HB2 HIS 0 HB2 HIS 0 -6.520 2.503 -2.647 14 HB3 HIS 0 HB1 HIS 0 -6.141 4.060 -1.929 15 HD1 HIS 0 HD1 HIS 0 -7.967 6.013 -2.523 16 HD2 HIS 0 HD2 HIS 0 -9.173 2.064 -2.985 17 HE1 HIS 0 HE1 HIS 0 -10.472 6.074 -2.559 18 HE2 HIS 0 HE2 HIS 0 -11.174 3.657 -2.614 19 H MET 1 HN MET 1 -5.494 6.456 -3.597 20 HA MET 1 HA MET 1 -2.913 6.212 -2.310 21 HB2 MET 1 HB2 MET 1 -1.926 8.068 -3.796 22 HB3 MET 1 HB1 MET 1 -1.978 6.443 -4.457 23 HG2 MET 1 HG2 MET 1 -3.490 6.992 -6.064 24 HG3 MET 1 HG1 MET 1 -4.266 8.227 -5.077 25 HE1 MET 1 HE1 MET 1 -0.241 8.910 -7.265 26 HE2 MET 1 HE2 MET 1 -1.125 7.387 -7.341 27 HE3 MET 1 HE3 MET 1 -0.386 7.904 -5.825 28 H VAL 2 HN VAL 2 -3.798 7.067 -0.433 29 HA VAL 2 HA VAL 2 -4.391 9.964 -0.525 30 HB VAL 2 HB VAL 2 -5.771 8.000 1.350 31 HG11 VAL 2 HG11 VAL 2 -5.551 10.244 2.302 32 HG12 VAL 2 HG12 VAL 2 -7.234 9.840 1.976 33 HG13 VAL 2 HG13 VAL 2 -6.362 10.928 0.893 34 HG21 VAL 2 HG21 VAL 2 -7.825 8.431 0.097 35 HG22 VAL 2 HG22 VAL 2 -6.587 7.665 -0.895 36 HG23 VAL 2 HG23 VAL 2 -6.915 9.388 -1.070 37 H ILE 3 HN ILE 3 -3.634 11.157 1.312 38 HA ILE 3 HA ILE 3 -1.323 10.133 2.605 39 HB ILE 3 HB ILE 3 -1.225 12.437 2.111 40 HG12 ILE 3 HG12 ILE 3 -1.727 12.237 5.090 41 HG13 ILE 3 HG11 ILE 3 -0.216 11.847 4.274 42 HG21 ILE 3 HG21 ILE 3 -3.589 13.003 1.839 43 HG22 ILE 3 HG22 ILE 3 -2.787 14.185 2.869 44 HG23 ILE 3 HG23 ILE 3 -3.827 12.961 3.591 45 HD11 ILE 3 HD11 ILE 3 -0.076 13.995 5.347 46 HD12 ILE 3 HD12 ILE 3 -1.500 14.562 4.474 47 HD13 ILE 3 HD13 ILE 3 -0.014 14.200 3.599 48 H ARG 4 HN ARG 4 -1.827 8.332 3.862 49 HA ARG 4 HA ARG 4 -2.848 9.188 6.476 50 HB2 ARG 4 HB2 ARG 4 -3.980 7.150 4.807 51 HB3 ARG 4 HB1 ARG 4 -3.280 6.375 6.228 52 HG2 ARG 4 HG2 ARG 4 -4.613 7.753 7.704 53 HG3 ARG 4 HG1 ARG 4 -5.174 8.723 6.347 54 HD2 ARG 4 HD2 ARG 4 -5.742 5.778 6.628 55 HD3 ARG 4 HD1 ARG 4 -6.833 7.038 7.201 56 HE ARG 4 HE ARG 4 -6.289 6.287 4.431 57 HH11 ARG 4 HH11 ARG 4 -7.844 8.581 6.602 58 HH12 ARG 4 HH12 ARG 4 -8.911 9.193 5.384 59 HH21 ARG 4 HH22 ARG 4 -7.703 7.097 2.846 60 HH22 ARG 4 HH21 ARG 4 -8.831 8.354 3.261 61 H GLU 5 HN GLU 5 -1.823 7.936 8.309 62 HA GLU 5 HA GLU 5 0.922 7.293 7.464 63 HB2 GLU 5 HB2 GLU 5 1.620 8.203 9.782 64 HB3 GLU 5 HB1 GLU 5 1.219 9.354 8.519 65 HG2 GLU 5 HG2 GLU 5 -1.032 9.693 9.588 66 HG3 GLU 5 HG1 GLU 5 -0.572 8.575 10.878 67 H SER 6 HN SER 6 1.105 5.030 7.591 68 HA SER 6 HA SER 6 0.606 3.756 10.131 69 HB2 SER 6 HB2 SER 6 -1.659 3.803 8.970 70 HB3 SER 6 HB1 SER 6 -0.968 2.784 7.706 71 HG SER 6 HG SER 6 -1.961 1.441 9.152 72 H VAL 7 HN VAL 7 0.801 1.078 9.306 73 HA VAL 7 HA VAL 7 2.992 0.865 7.403 74 HB VAL 7 HB VAL 7 3.851 -1.122 8.957 75 HG11 VAL 7 HG11 VAL 7 5.317 0.491 8.102 76 HG12 VAL 7 HG12 VAL 7 5.617 0.393 9.839 77 HG13 VAL 7 HG13 VAL 7 4.690 1.741 9.177 78 HG21 VAL 7 HG21 VAL 7 3.967 -0.701 11.287 79 HG22 VAL 7 HG22 VAL 7 2.266 -0.686 10.830 80 HG23 VAL 7 HG23 VAL 7 3.124 0.836 11.133 81 H SER 8 HN SER 8 2.401 -0.431 5.993 82 HA SER 8 HA SER 8 -0.016 -1.995 6.418 83 HB2 SER 8 HB2 SER 8 0.507 -2.379 3.816 84 HB3 SER 8 HB1 SER 8 -0.266 -0.911 4.379 85 HG SER 8 HG SER 8 2.569 -1.153 4.172 86 H ARG 9 HN ARG 9 -0.086 -4.219 6.717 87 HA ARG 9 HA ARG 9 2.527 -5.549 6.453 88 HB2 ARG 9 HB2 ARG 9 2.176 -6.802 8.568 89 HB3 ARG 9 HB1 ARG 9 2.341 -5.069 8.821 90 HG2 ARG 9 HG2 ARG 9 -0.426 -5.562 8.523 91 HG3 ARG 9 HG1 ARG 9 0.189 -6.860 9.540 92 HD2 ARG 9 HD2 ARG 9 1.316 -5.037 10.916 93 HD3 ARG 9 HD1 ARG 9 0.287 -3.902 10.032 94 HE ARG 9 HE ARG 9 -1.167 -6.096 11.143 95 HH11 ARG 9 HH11 ARG 9 0.167 -2.947 11.877 96 HH12 ARG 9 HH12 ARG 9 -0.936 -2.647 13.180 97 HH21 ARG 9 HH21 ARG 9 -2.601 -5.725 12.860 98 HH22 ARG 9 HH22 ARG 9 -2.520 -4.235 13.745 99 H ILE 10 HN ILE 10 2.459 -8.036 6.115 100 HA ILE 10 HA ILE 10 -0.194 -8.804 4.985 101 HB ILE 10 HB ILE 10 2.599 -9.682 4.102 102 HG12 ILE 10 HG12 ILE 10 0.805 -8.427 2.106 103 HG13 ILE 10 HG11 ILE 10 1.404 -7.355 3.345 104 HG21 ILE 10 HG21 ILE 10 1.405 -10.913 2.231 105 HG22 ILE 10 HG22 ILE 10 -0.100 -10.574 3.066 106 HG23 ILE 10 HG23 ILE 10 1.136 -11.563 3.844 107 HD11 ILE 10 HD11 ILE 10 3.391 -9.035 1.862 108 HD12 ILE 10 HD12 ILE 10 3.561 -7.415 2.540 109 HD13 ILE 10 HD13 ILE 10 2.653 -7.654 1.062 110 H TYR 11 HN TYR 11 -1.092 -10.710 5.613 111 HA TYR 11 HA TYR 11 0.493 -12.329 7.530 112 HB2 TYR 11 HB2 TYR 11 -1.810 -11.283 8.139 113 HB3 TYR 11 HB1 TYR 11 -2.506 -12.568 7.153 114 HD1 TYR 11 HD2 TYR 11 -0.558 -11.814 10.189 115 HD2 TYR 11 HD1 TYR 11 -2.636 -14.814 7.999 116 HE1 TYR 11 HE2 TYR 11 -0.513 -13.279 12.164 117 HE2 TYR 11 HE1 TYR 11 -2.599 -16.281 9.970 118 HH TYR 11 HH TYR 11 -1.294 -16.573 12.033 119 H VAL 12 HN VAL 12 1.463 -14.300 6.520 120 HA VAL 12 HA VAL 12 -0.334 -15.650 4.621 121 HB VAL 12 HB VAL 12 1.262 -14.750 3.022 122 HG11 VAL 12 HG11 VAL 12 3.441 -15.346 4.999 123 HG12 VAL 12 HG12 VAL 12 2.817 -13.767 4.516 124 HG13 VAL 12 HG13 VAL 12 3.697 -14.762 3.357 125 HG21 VAL 12 HG21 VAL 12 2.429 -17.485 3.721 126 HG22 VAL 12 HG22 VAL 12 2.838 -16.542 2.295 127 HG23 VAL 12 HG23 VAL 12 1.201 -17.131 2.502 128 H GLY 13 HN GLY 13 -1.056 -17.382 5.849 129 HA2 GLY 13 HA2 GLY 13 1.065 -18.976 7.231 130 HA3 GLY 13 HA1 GLY 13 -0.581 -18.821 7.821 131 H ASN 14 HN ASN 14 0.233 -21.348 7.701 132 HA ASN 14 HA ASN 14 -0.084 -23.435 6.797 133 HB2 ASN 14 HB2 ASN 14 -2.502 -21.917 5.917 134 HB3 ASN 14 HB1 ASN 14 -2.312 -23.614 5.486 135 HD21 ASN 14 HD21 ASN 14 -2.907 -21.344 8.025 136 HD22 ASN 14 HD22 ASN 14 -3.313 -22.497 9.243 137 H LEU 15 HN LEU 15 1.616 -21.732 4.942 138 HA LEU 15 HA LEU 15 0.816 -22.700 2.344 139 HB2 LEU 15 HB2 LEU 15 2.430 -21.260 1.390 140 HB3 LEU 15 HB1 LEU 15 1.711 -20.345 2.685 141 HG LEU 15 HG LEU 15 3.902 -19.703 2.797 142 HD11 LEU 15 HD11 LEU 15 5.024 -20.762 4.717 143 HD12 LEU 15 HD12 LEU 15 3.775 -21.999 4.711 144 HD13 LEU 15 HD13 LEU 15 3.348 -20.315 5.014 145 HD21 LEU 15 HD21 LEU 15 5.854 -21.230 2.580 146 HD22 LEU 15 HD22 LEU 15 4.856 -21.075 1.130 147 HD23 LEU 15 HD23 LEU 15 4.717 -22.512 2.146 148 HA PRO 16 HA PRO 16 3.529 -26.199 2.574 149 HB2 PRO 16 HB2 PRO 16 3.797 -26.833 -0.071 150 HB3 PRO 16 HB1 PRO 16 2.342 -27.180 0.881 151 HG2 PRO 16 HG2 PRO 16 2.805 -25.163 -1.188 152 HG3 PRO 16 HG1 PRO 16 1.280 -25.861 -0.623 153 HD2 PRO 16 HD2 PRO 16 2.379 -23.326 0.016 154 HD3 PRO 16 HD1 PRO 16 0.911 -24.066 0.686 155 H SER 17 HN SER 17 5.743 -26.294 2.939 156 HA SER 17 HA SER 17 7.985 -26.481 2.240 157 HB2 SER 17 HB2 SER 17 9.193 -24.940 0.908 158 HB3 SER 17 HB1 SER 17 7.679 -25.192 0.042 159 HG SER 17 HG SER 17 8.632 -22.927 0.556 160 H HIS 18 HN HIS 18 6.186 -23.941 3.683 161 HA HIS 18 HA HIS 18 6.500 -22.415 5.287 162 HB2 HIS 18 HB2 HIS 18 7.282 -24.064 6.800 163 HB3 HIS 18 HB1 HIS 18 8.842 -24.131 6.013 164 HD1 HIS 18 HD1 HIS 18 10.579 -23.155 7.468 165 HD2 HIS 18 HD2 HIS 18 6.966 -21.131 7.841 166 HE1 HIS 18 HE1 HIS 18 11.010 -21.293 9.100 167 HE2 HIS 18 HE2 HIS 18 8.873 -19.974 9.152 168 H VAL 19 HN VAL 19 6.723 -20.545 4.391 169 HA VAL 19 HA VAL 19 9.008 -19.823 2.835 170 HB VAL 19 HB VAL 19 6.844 -19.073 2.116 171 HG11 VAL 19 HG11 VAL 19 6.547 -17.450 4.648 172 HG12 VAL 19 HG12 VAL 19 5.617 -18.876 4.209 173 HG13 VAL 19 HG13 VAL 19 5.466 -17.409 3.255 174 HG21 VAL 19 HG21 VAL 19 8.367 -16.641 2.946 175 HG22 VAL 19 HG22 VAL 19 7.028 -16.716 1.798 176 HG23 VAL 19 HG23 VAL 19 8.531 -17.577 1.448 177 H SER 20 HN SER 20 10.966 -19.163 3.735 178 HA SER 20 HA SER 20 11.065 -18.302 6.470 179 HB2 SER 20 HB2 SER 20 13.308 -18.350 4.409 180 HB3 SER 20 HB1 SER 20 13.488 -18.441 6.157 181 HG SER 20 HG SER 20 12.173 -20.369 4.560 182 H SER 21 HN SER 21 12.100 -15.986 7.097 183 HA SER 21 HA SER 21 10.801 -13.894 5.958 184 HB2 SER 21 HB2 SER 21 12.712 -12.491 6.994 185 HB3 SER 21 HB1 SER 21 11.732 -13.500 8.051 186 HG SER 21 HG SER 21 13.848 -13.874 8.585 187 H ARG 22 HN ARG 22 14.110 -14.936 4.925 188 HA ARG 22 HA ARG 22 14.457 -12.793 3.181 189 HB2 ARG 22 HB2 ARG 22 16.451 -13.706 3.401 190 HB3 ARG 22 HB1 ARG 22 15.922 -15.347 3.545 191 HG2 ARG 22 HG2 ARG 22 15.873 -14.071 0.838 192 HG3 ARG 22 HG1 ARG 22 17.435 -14.481 1.553 193 HD2 ARG 22 HD2 ARG 22 15.677 -16.701 1.892 194 HD3 ARG 22 HD1 ARG 22 15.602 -16.187 0.210 195 HE ARG 22 HE ARG 22 18.028 -16.459 0.139 196 HH11 ARG 22 HH12 ARG 22 16.339 -18.064 2.780 197 HH12 ARG 22 HH11 ARG 22 17.582 -19.243 3.011 198 HH21 ARG 22 HH21 ARG 22 19.643 -18.030 0.449 199 HH22 ARG 22 HH22 ARG 22 19.458 -19.226 1.689 200 H ASP 23 HN ASP 23 12.599 -15.745 2.365 201 HA ASP 23 HA ASP 23 12.418 -15.304 -0.419 202 HB2 ASP 23 HB2 ASP 23 10.355 -16.701 1.328 203 HB3 ASP 23 HB1 ASP 23 10.561 -16.945 -0.392 204 H VAL 24 HN VAL 24 10.041 -14.660 2.206 205 HA VAL 24 HA VAL 24 8.189 -13.184 0.737 206 HB VAL 24 HB VAL 24 7.681 -12.118 3.106 207 HG11 VAL 24 HG11 VAL 24 6.025 -13.489 2.222 208 HG12 VAL 24 HG12 VAL 24 6.535 -14.370 3.654 209 HG13 VAL 24 HG13 VAL 24 7.120 -14.837 2.067 210 HG21 VAL 24 HG21 VAL 24 9.693 -12.946 4.200 211 HG22 VAL 24 HG22 VAL 24 9.227 -14.597 3.809 212 HG23 VAL 24 HG23 VAL 24 8.243 -13.647 4.912 213 H GLU 25 HN GLU 25 10.698 -11.757 2.891 214 HA GLU 25 HA GLU 25 10.672 -9.209 2.067 215 HB2 GLU 25 HB2 GLU 25 12.410 -8.998 3.416 216 HB3 GLU 25 HB1 GLU 25 12.275 -10.697 3.722 217 HG2 GLU 25 HG2 GLU 25 14.523 -10.639 3.273 218 HG3 GLU 25 HG1 GLU 25 13.982 -10.725 1.596 219 H ASN 26 HN ASN 26 12.544 -11.693 0.094 220 HA ASN 26 HA ASN 26 13.482 -9.669 -1.614 221 HB2 ASN 26 HB2 ASN 26 14.727 -11.850 -1.491 222 HB3 ASN 26 HB1 ASN 26 13.380 -12.619 -2.366 223 HD21 ASN 26 HD21 ASN 26 16.190 -10.672 -2.554 224 HD22 ASN 26 HD22 ASN 26 16.274 -10.588 -4.278 225 H GLU 27 HN GLU 27 10.908 -12.221 -2.403 226 HA GLU 27 HA GLU 27 10.127 -11.098 -4.797 227 HB2 GLU 27 HB2 GLU 27 9.272 -13.309 -3.573 228 HB3 GLU 27 HB1 GLU 27 7.962 -12.273 -3.069 229 HG2 GLU 27 HG2 GLU 27 7.135 -13.429 -4.903 230 HG3 GLU 27 HG1 GLU 27 7.526 -11.849 -5.576 231 H PHE 28 HN PHE 28 8.962 -10.063 -1.493 232 HA PHE 28 HA PHE 28 7.143 -8.318 -2.853 233 HB2 PHE 28 HB2 PHE 28 7.588 -8.644 0.110 234 HB3 PHE 28 HB1 PHE 28 6.488 -7.459 -0.565 235 HD1 PHE 28 HD2 PHE 28 4.392 -8.178 -1.678 236 HD2 PHE 28 HD1 PHE 28 7.049 -10.978 0.117 237 HE1 PHE 28 HE2 PHE 28 2.630 -9.870 -1.706 238 HE2 PHE 28 HE1 PHE 28 5.279 -12.688 0.079 239 HZ PHE 28 HZ PHE 28 3.063 -12.128 -0.824 240 H ARG 29 HN ARG 29 10.184 -7.780 -1.043 241 HA ARG 29 HA ARG 29 10.425 -5.057 -1.267 242 HB2 ARG 29 HB2 ARG 29 12.703 -5.092 -1.010 243 HB3 ARG 29 HB1 ARG 29 12.384 -6.722 -0.458 244 HG2 ARG 29 HG2 ARG 29 12.945 -7.459 -2.860 245 HG3 ARG 29 HG1 ARG 29 13.438 -5.798 -3.141 246 HD2 ARG 29 HD2 ARG 29 15.235 -5.990 -1.623 247 HD3 ARG 29 HD1 ARG 29 14.648 -7.535 -1.001 248 HE ARG 29 HE ARG 29 15.485 -8.604 -2.842 249 HH11 ARG 29 HH12 ARG 29 15.709 -5.143 -3.419 250 HH12 ARG 29 HH11 ARG 29 16.679 -5.321 -4.840 251 HH21 ARG 29 HH22 ARG 29 16.721 -8.809 -4.749 252 HH22 ARG 29 HH21 ARG 29 17.253 -7.393 -5.589 253 H LYS 30 HN LYS 30 10.699 -7.385 -4.019 254 HA LYS 30 HA LYS 30 11.868 -5.246 -5.514 255 HB2 LYS 30 HB2 LYS 30 11.718 -6.524 -7.632 256 HB3 LYS 30 HB1 LYS 30 12.584 -7.399 -6.404 257 HG2 LYS 30 HG2 LYS 30 11.293 -9.184 -6.893 258 HG3 LYS 30 HG1 LYS 30 9.897 -8.309 -6.258 259 HD2 LYS 30 HD2 LYS 30 10.882 -8.262 -9.103 260 HD3 LYS 30 HD1 LYS 30 9.509 -9.177 -8.502 261 HE2 LYS 30 HE2 LYS 30 8.262 -7.158 -8.033 262 HE3 LYS 30 HE1 LYS 30 9.689 -6.171 -8.395 263 HZ1 LYS 30 HZ1 LYS 30 9.643 -6.946 -10.685 264 HZ2 LYS 30 HZ2 LYS 30 8.183 -6.198 -10.281 265 HZ3 LYS 30 HZ3 LYS 30 8.273 -7.888 -10.364 266 H TYR 31 HN TYR 31 8.683 -6.233 -5.161 267 HA TYR 31 HA TYR 31 7.712 -4.508 -7.219 268 HB2 TYR 31 HB2 TYR 31 6.438 -6.118 -5.028 269 HB3 TYR 31 HB1 TYR 31 5.481 -5.019 -5.953 270 HD1 TYR 31 HD2 TYR 31 5.435 -5.569 -8.641 271 HD2 TYR 31 HD1 TYR 31 6.653 -8.347 -5.583 272 HE1 TYR 31 HE2 TYR 31 5.111 -7.436 -10.200 273 HE2 TYR 31 HE1 TYR 31 6.321 -10.231 -7.195 274 HH TYR 31 HH TYR 31 5.107 -10.709 -9.246 275 H GLY 32 HN GLY 32 7.461 -4.348 -3.555 276 HA2 GLY 32 HA2 GLY 32 8.021 -1.505 -3.812 277 HA3 GLY 32 HA1 GLY 32 6.551 -1.965 -2.966 278 H ASN 33 HN ASN 33 8.927 -0.515 -1.983 279 HA ASN 33 HA ASN 33 10.841 -2.261 -0.902 280 HB2 ASN 33 HB2 ASN 33 10.377 0.615 -0.079 281 HB3 ASN 33 HB1 ASN 33 11.780 -0.345 0.303 282 HD21 ASN 33 HD21 ASN 33 13.242 -0.903 -1.364 283 HD22 ASN 33 HD22 ASN 33 13.250 -0.055 -2.868 284 H ILE 34 HN ILE 34 10.589 -3.664 0.683 285 HA ILE 34 HA ILE 34 8.753 -3.432 2.785 286 HB ILE 34 HB ILE 34 9.111 -5.642 2.877 287 HG12 ILE 34 HG12 ILE 34 10.325 -4.963 5.058 288 HG13 ILE 34 HG11 ILE 34 10.529 -6.604 4.478 289 HG21 ILE 34 HG21 ILE 34 11.789 -5.197 1.633 290 HG22 ILE 34 HG22 ILE 34 10.290 -5.719 0.867 291 HG23 ILE 34 HG23 ILE 34 11.117 -6.788 1.996 292 HD11 ILE 34 HD11 ILE 34 12.792 -5.960 3.621 293 HD12 ILE 34 HD12 ILE 34 12.625 -5.761 5.350 294 HD13 ILE 34 HD13 ILE 34 12.555 -4.362 4.307 295 H LEU 35 HN LEU 35 8.892 -2.639 5.015 296 HA LEU 35 HA LEU 35 11.547 -1.515 5.650 297 HB2 LEU 35 HB2 LEU 35 8.851 -0.537 6.299 298 HB3 LEU 35 HB1 LEU 35 9.961 -0.511 7.660 299 HG LEU 35 HG LEU 35 11.554 0.841 6.361 300 HD11 LEU 35 HD11 LEU 35 9.470 0.832 4.190 301 HD12 LEU 35 HD12 LEU 35 11.086 0.128 4.097 302 HD13 LEU 35 HD13 LEU 35 10.887 1.875 4.240 303 HD21 LEU 35 HD21 LEU 35 8.782 2.000 6.391 304 HD22 LEU 35 HD22 LEU 35 10.285 2.909 6.289 305 HD23 LEU 35 HD23 LEU 35 9.914 1.974 7.737 306 H LYS 36 HN LYS 36 9.451 -4.062 6.611 307 HA LYS 36 HA LYS 36 11.285 -5.009 8.658 308 HB2 LYS 36 HB2 LYS 36 9.744 -3.363 9.800 309 HB3 LYS 36 HB1 LYS 36 8.403 -4.394 9.364 310 HG2 LYS 36 HG2 LYS 36 10.612 -5.559 10.995 311 HG3 LYS 36 HG1 LYS 36 9.475 -4.462 11.765 312 HD2 LYS 36 HD2 LYS 36 7.767 -6.123 10.460 313 HD3 LYS 36 HD1 LYS 36 9.099 -7.223 10.818 314 HE2 LYS 36 HE2 LYS 36 7.513 -7.326 12.617 315 HE3 LYS 36 HE1 LYS 36 8.969 -6.505 13.194 316 HZ1 LYS 36 HZ1 LYS 36 6.540 -5.100 12.230 317 HZ2 LYS 36 HZ2 LYS 36 7.892 -4.407 12.970 318 HZ3 LYS 36 HZ3 LYS 36 6.878 -5.422 13.853 319 H CYS 37 HN CYS 37 11.183 -7.398 8.677 320 HA CYS 37 HA CYS 37 8.685 -8.600 7.864 321 HB2 CYS 37 HB2 CYS 37 9.646 -8.444 5.619 322 HB3 CYS 37 HB1 CYS 37 11.085 -9.341 6.120 323 HG CYS 37 HG CYS 37 7.938 -10.650 6.350 324 H ASP 38 HN ASP 38 8.218 -9.988 9.270 325 HA ASP 38 HA ASP 38 10.489 -11.555 10.346 326 HB2 ASP 38 HB2 ASP 38 9.994 -11.110 12.549 327 HB3 ASP 38 HB1 ASP 38 9.669 -9.581 11.824 328 H VAL 39 HN VAL 39 9.949 -13.678 11.240 329 HA VAL 39 HA VAL 39 7.439 -14.710 10.234 330 HB VAL 39 HB VAL 39 8.903 -15.683 8.630 331 HG11 VAL 39 HG11 VAL 39 11.086 -16.779 9.267 332 HG12 VAL 39 HG12 VAL 39 10.918 -15.978 10.825 333 HG13 VAL 39 HG13 VAL 39 11.005 -15.026 9.338 334 HG21 VAL 39 HG21 VAL 39 9.309 -18.038 8.920 335 HG22 VAL 39 HG22 VAL 39 7.742 -17.707 9.635 336 HG23 VAL 39 HG23 VAL 39 9.153 -17.920 10.657 337 H LYS 40 HN LYS 40 6.100 -15.592 11.637 338 HA LYS 40 HA LYS 40 6.945 -15.950 14.464 339 HB2 LYS 40 HB2 LYS 40 4.535 -14.800 13.053 340 HB3 LYS 40 HB1 LYS 40 4.298 -15.467 14.652 341 HG2 LYS 40 HG2 LYS 40 5.405 -13.797 15.718 342 HG3 LYS 40 HG1 LYS 40 6.426 -13.383 14.341 343 HD2 LYS 40 HD2 LYS 40 4.600 -12.200 13.244 344 HD3 LYS 40 HD1 LYS 40 3.386 -12.956 14.281 345 HE2 LYS 40 HE2 LYS 40 3.736 -10.583 14.765 346 HE3 LYS 40 HE1 LYS 40 4.106 -11.595 16.157 347 HZ1 LYS 40 HZ1 LYS 40 6.407 -11.277 15.804 348 HZ2 LYS 40 HZ2 LYS 40 5.701 -9.745 15.674 349 HZ3 LYS 40 HZ3 LYS 40 6.169 -10.589 14.278 350 H LYS 41 HN LYS 41 6.048 -18.091 15.572 351 HA LYS 41 HA LYS 41 4.596 -19.687 13.590 352 HB2 LYS 41 HB2 LYS 41 6.028 -21.546 13.503 353 HB3 LYS 41 HB1 LYS 41 7.211 -20.293 13.701 354 HG2 LYS 41 HG2 LYS 41 6.241 -22.238 15.803 355 HG3 LYS 41 HG1 LYS 41 7.821 -22.176 15.035 356 HD2 LYS 41 HD2 LYS 41 6.653 -20.096 16.859 357 HD3 LYS 41 HD1 LYS 41 7.870 -21.287 17.317 358 HE2 LYS 41 HE2 LYS 41 9.093 -20.110 15.223 359 HE3 LYS 41 HE1 LYS 41 8.107 -18.758 15.809 360 HZ1 LYS 41 HZ1 LYS 41 10.327 -18.812 16.802 361 HZ2 LYS 41 HZ2 LYS 41 10.010 -20.337 17.460 362 HZ3 LYS 41 HZ3 LYS 41 9.116 -18.996 17.967 363 H THR 42 HN THR 42 2.847 -21.141 14.579 364 HA THR 42 HA THR 42 2.648 -20.625 17.429 365 HB THR 42 HB THR 42 0.664 -20.053 15.959 366 HG1 THR 42 HG1 THR 42 -0.692 -20.469 17.595 367 HG21 THR 42 HG21 THR 42 0.577 -23.008 15.585 368 HG22 THR 42 HG22 THR 42 0.149 -21.734 14.444 369 HG23 THR 42 HG23 THR 42 -0.941 -22.140 15.761 370 H VAL 43 HN VAL 43 1.300 -22.683 18.623 371 HA VAL 43 HA VAL 43 3.253 -24.811 18.654 372 HB VAL 43 HB VAL 43 0.735 -25.037 20.306 373 HG11 VAL 43 HG11 VAL 43 2.298 -25.813 22.015 374 HG12 VAL 43 HG12 VAL 43 3.641 -25.517 20.909 375 HG13 VAL 43 HG13 VAL 43 2.430 -26.735 20.516 376 HG21 VAL 43 HG21 VAL 43 1.612 -23.517 22.037 377 HG22 VAL 43 HG22 VAL 43 1.215 -22.645 20.560 378 HG23 VAL 43 HG23 VAL 43 2.898 -23.004 20.947 379 H SER 44 HN SER 44 0.543 -24.415 16.694 380 HA SER 44 HA SER 44 -0.388 -27.178 16.845 381 HB2 SER 44 HB2 SER 44 -2.024 -25.180 16.723 382 HB3 SER 44 HB1 SER 44 -1.483 -24.961 15.056 383 HG SER 44 HG SER 44 -2.086 -27.315 14.877 384 H GLY 45 HN GLY 45 2.127 -25.744 15.399 385 HA2 GLY 45 HA2 GLY 45 3.554 -26.584 13.780 386 HA3 GLY 45 HA1 GLY 45 2.337 -27.763 13.339 387 H ALA 46 HN ALA 46 0.523 -25.138 12.988 388 HA ALA 46 HA ALA 46 1.246 -24.565 10.280 389 HB1 ALA 46 HB1 ALA 46 -1.124 -24.477 10.934 390 HB2 ALA 46 HB2 ALA 46 -0.607 -22.935 10.270 391 HB3 ALA 46 HB3 ALA 46 -0.803 -23.114 12.012 392 H ALA 47 HN ALA 47 2.444 -22.798 9.500 393 HA ALA 47 HA ALA 47 3.804 -21.182 11.556 394 HB1 ALA 47 HB1 ALA 47 5.883 -21.415 10.428 395 HB2 ALA 47 HB2 ALA 47 5.133 -22.110 9.005 396 HB3 ALA 47 HB3 ALA 47 5.199 -23.029 10.508 397 H PHE 48 HN PHE 48 4.210 -18.891 10.979 398 HA PHE 48 HA PHE 48 2.501 -18.035 8.713 399 HB2 PHE 48 HB2 PHE 48 2.832 -16.674 11.411 400 HB3 PHE 48 HB1 PHE 48 1.690 -16.231 10.142 401 HD1 PHE 48 HD1 PHE 48 -0.229 -17.639 9.671 402 HD2 PHE 48 HD2 PHE 48 2.440 -18.477 12.869 403 HE1 PHE 48 HE1 PHE 48 -1.868 -19.170 10.639 404 HE2 PHE 48 HE2 PHE 48 0.827 -19.960 13.830 405 HZ PHE 48 HZ PHE 48 -1.356 -20.351 12.750 406 H ALA 49 HN ALA 49 3.157 -16.048 7.625 407 HA ALA 49 HA ALA 49 5.590 -14.831 8.602 408 HB1 ALA 49 HB1 ALA 49 5.947 -16.461 6.557 409 HB2 ALA 49 HB2 ALA 49 6.904 -15.010 6.749 410 HB3 ALA 49 HB3 ALA 49 5.502 -15.026 5.655 411 H PHE 50 HN PHE 50 6.080 -12.619 7.857 412 HA PHE 50 HA PHE 50 3.545 -11.206 8.020 413 HB2 PHE 50 HB2 PHE 50 4.385 -11.949 10.355 414 HB3 PHE 50 HB1 PHE 50 5.744 -10.845 10.132 415 HD1 PHE 50 HD2 PHE 50 2.092 -11.102 10.507 416 HD2 PHE 50 HD1 PHE 50 5.462 -8.501 10.459 417 HE1 PHE 50 HE2 PHE 50 0.722 -9.314 11.487 418 HE2 PHE 50 HE1 PHE 50 4.097 -6.707 11.443 419 HZ PHE 50 HZ PHE 50 1.725 -7.117 11.964 420 H ILE 51 HN ILE 51 3.787 -9.541 6.475 421 HA ILE 51 HA ILE 51 6.629 -8.543 6.149 422 HB ILE 51 HB ILE 51 4.937 -8.497 3.629 423 HG12 ILE 51 HG12 ILE 51 6.186 -10.472 2.762 424 HG13 ILE 51 HG11 ILE 51 6.870 -10.717 4.334 425 HG21 ILE 51 HG21 ILE 51 7.899 -8.603 4.058 426 HG22 ILE 51 HG22 ILE 51 6.952 -7.121 3.895 427 HG23 ILE 51 HG23 ILE 51 7.040 -8.266 2.549 428 HD11 ILE 51 HD11 ILE 51 5.114 -12.363 3.854 429 HD12 ILE 51 HD12 ILE 51 3.963 -11.072 3.523 430 HD13 ILE 51 HD13 ILE 51 4.574 -11.303 5.158 431 H GLU 52 HN GLU 52 6.729 -6.627 6.718 432 HA GLU 52 HA GLU 52 4.392 -4.905 6.448 433 HB2 GLU 52 HB2 GLU 52 4.776 -5.401 8.708 434 HB3 GLU 52 HB1 GLU 52 6.485 -5.087 8.586 435 HG2 GLU 52 HG2 GLU 52 6.130 -2.747 8.544 436 HG3 GLU 52 HG1 GLU 52 4.390 -2.945 8.305 437 H PHE 53 HN PHE 53 4.620 -3.678 4.663 438 HA PHE 53 HA PHE 53 7.286 -2.583 4.134 439 HB2 PHE 53 HB2 PHE 53 6.524 -2.474 1.657 440 HB3 PHE 53 HB1 PHE 53 6.911 -4.037 2.330 441 HD1 PHE 53 HD2 PHE 53 3.644 -2.746 3.248 442 HD2 PHE 53 HD1 PHE 53 5.813 -4.933 0.257 443 HE1 PHE 53 HE2 PHE 53 1.549 -3.677 2.385 444 HE2 PHE 53 HE1 PHE 53 3.719 -5.854 -0.592 445 HZ PHE 53 HZ PHE 53 1.579 -5.230 0.478 446 H GLU 54 HN GLU 54 7.463 -0.408 2.990 447 HA GLU 54 HA GLU 54 5.640 1.485 4.098 448 HB2 GLU 54 HB2 GLU 54 7.521 2.716 3.831 449 HB3 GLU 54 HB1 GLU 54 8.157 1.638 2.620 450 HG2 GLU 54 HG2 GLU 54 7.304 2.915 0.844 451 HG3 GLU 54 HG1 GLU 54 6.139 3.762 1.856 452 H ASP 55 HN ASP 55 5.904 0.171 0.744 453 HA ASP 55 HA ASP 55 3.404 1.646 0.274 454 HB2 ASP 55 HB2 ASP 55 5.697 0.983 -1.471 455 HB3 ASP 55 HB1 ASP 55 4.115 0.845 -2.232 456 H ALA 56 HN ALA 56 1.724 0.239 0.774 457 HA ALA 56 HA ALA 56 1.763 -2.466 0.003 458 HB1 ALA 56 HB1 ALA 56 -0.583 -2.528 0.600 459 HB2 ALA 56 HB2 ALA 56 -0.621 -0.774 0.720 460 HB3 ALA 56 HB3 ALA 56 0.381 -1.709 1.817 461 H ARG 57 HN ARG 57 1.110 0.266 -2.126 462 HA ARG 57 HA ARG 57 -0.825 -1.251 -3.608 463 HB2 ARG 57 HB2 ARG 57 -1.285 0.462 -5.101 464 HB3 ARG 57 HB1 ARG 57 -1.058 1.255 -3.554 465 HG2 ARG 57 HG2 ARG 57 1.201 1.998 -4.302 466 HG3 ARG 57 HG1 ARG 57 0.969 1.118 -5.809 467 HD2 ARG 57 HD2 ARG 57 -0.971 3.247 -4.961 468 HD3 ARG 57 HD1 ARG 57 0.546 3.668 -5.746 469 HE ARG 57 HE ARG 57 -0.730 1.692 -7.267 470 HH11 ARG 57 HH11 ARG 57 -1.121 5.070 -6.404 471 HH12 ARG 57 HH12 ARG 57 -1.945 5.482 -7.873 472 HH21 ARG 57 HH21 ARG 57 -1.756 2.249 -9.228 473 HH22 ARG 57 HH22 ARG 57 -2.306 3.874 -9.478 474 H ASP 58 HN ASP 58 2.708 -0.477 -4.494 475 HA ASP 58 HA ASP 58 2.323 -2.066 -6.824 476 HB2 ASP 58 HB2 ASP 58 4.946 -1.093 -5.668 477 HB3 ASP 58 HB1 ASP 58 4.786 -1.995 -7.168 478 H ALA 59 HN ALA 59 3.607 -3.263 -3.668 479 HA ALA 59 HA ALA 59 4.415 -5.737 -4.712 480 HB1 ALA 59 HB1 ALA 59 4.455 -4.594 -1.996 481 HB2 ALA 59 HB2 ALA 59 5.800 -5.030 -3.077 482 HB3 ALA 59 HB3 ALA 59 4.838 -6.281 -2.288 483 H ALA 60 HN ALA 60 1.416 -4.560 -3.592 484 HA ALA 60 HA ALA 60 -0.269 -6.603 -3.376 485 HB1 ALA 60 HB1 ALA 60 -1.248 -4.407 -3.442 486 HB2 ALA 60 HB2 ALA 60 -1.963 -5.265 -4.802 487 HB3 ALA 60 HB3 ALA 60 -0.665 -4.115 -5.080 488 H ASP 61 HN ASP 61 1.150 -5.811 -6.725 489 HA ASP 61 HA ASP 61 0.174 -7.948 -8.126 490 HB2 ASP 61 HB2 ASP 61 3.050 -7.069 -8.289 491 HB3 ASP 61 HB1 ASP 61 2.209 -8.109 -9.425 492 H ALA 62 HN ALA 62 3.272 -8.353 -6.213 493 HA ALA 62 HA ALA 62 3.281 -11.134 -6.290 494 HB1 ALA 62 HB1 ALA 62 4.316 -9.538 -3.914 495 HB2 ALA 62 HB2 ALA 62 5.223 -10.112 -5.310 496 HB3 ALA 62 HB3 ALA 62 4.553 -11.261 -4.181 497 H ILE 63 HN ILE 63 1.288 -9.146 -4.084 498 HA ILE 63 HA ILE 63 0.685 -11.485 -2.565 499 HB ILE 63 HB ILE 63 0.372 -8.755 -2.139 500 HG12 ILE 63 HG12 ILE 63 1.147 -10.647 -0.618 501 HG13 ILE 63 HG11 ILE 63 0.389 -9.236 0.085 502 HG21 ILE 63 HG21 ILE 63 -2.293 -10.050 -1.610 503 HG22 ILE 63 HG22 ILE 63 -1.990 -8.918 -2.925 504 HG23 ILE 63 HG23 ILE 63 -1.829 -8.384 -1.254 505 HD11 ILE 63 HD11 ILE 63 -0.267 -11.964 0.401 506 HD12 ILE 63 HD12 ILE 63 -1.642 -11.144 -0.362 507 HD13 ILE 63 HD13 ILE 63 -0.980 -10.544 1.150 508 H LYS 64 HN LYS 64 -1.608 -9.740 -4.900 509 HA LYS 64 HA LYS 64 -3.300 -11.814 -5.231 510 HB2 LYS 64 HB2 LYS 64 -3.715 -11.107 -7.566 511 HB3 LYS 64 HB1 LYS 64 -3.753 -9.771 -6.441 512 HG2 LYS 64 HG2 LYS 64 -2.611 -8.849 -8.250 513 HG3 LYS 64 HG1 LYS 64 -1.268 -9.367 -7.228 514 HD2 LYS 64 HD2 LYS 64 -0.732 -11.180 -8.616 515 HD3 LYS 64 HD1 LYS 64 -2.295 -11.117 -9.454 516 HE2 LYS 64 HE2 LYS 64 0.085 -9.304 -9.694 517 HE3 LYS 64 HE1 LYS 64 -0.679 -10.266 -10.948 518 HZ1 LYS 64 HZ1 LYS 64 -2.616 -8.783 -10.781 519 HZ2 LYS 64 HZ2 LYS 64 -1.211 -7.982 -11.262 520 HZ3 LYS 64 HZ3 LYS 64 -1.769 -7.822 -9.677 521 H GLU 65 HN GLU 65 0.055 -11.860 -6.433 522 HA GLU 65 HA GLU 65 -0.489 -14.131 -8.148 523 HB2 GLU 65 HB2 GLU 65 1.361 -13.377 -9.148 524 HB3 GLU 65 HB1 GLU 65 1.447 -12.109 -7.944 525 HG2 GLU 65 HG2 GLU 65 2.733 -13.793 -6.560 526 HG3 GLU 65 HG1 GLU 65 2.862 -14.657 -8.079 527 H LYS 66 HN LYS 66 0.602 -13.795 -4.803 528 HA LYS 66 HA LYS 66 0.528 -16.682 -4.617 529 HB2 LYS 66 HB2 LYS 66 0.785 -14.764 -2.291 530 HB3 LYS 66 HB1 LYS 66 1.290 -16.429 -2.348 531 HG2 LYS 66 HG2 LYS 66 2.638 -14.030 -3.624 532 HG3 LYS 66 HG1 LYS 66 3.184 -14.915 -2.230 533 HD2 LYS 66 HD2 LYS 66 3.823 -16.838 -3.628 534 HD3 LYS 66 HD1 LYS 66 3.147 -16.048 -5.060 535 HE2 LYS 66 HE2 LYS 66 4.814 -14.309 -4.959 536 HE3 LYS 66 HE1 LYS 66 5.399 -14.895 -3.402 537 HZ1 LYS 66 HZ1 LYS 66 6.801 -15.514 -5.328 538 HZ2 LYS 66 HZ2 LYS 66 5.531 -16.470 -5.915 539 HZ3 LYS 66 HZ3 LYS 66 6.255 -16.845 -4.432 540 H ASP 67 HN ASP 67 -2.115 -14.830 -5.120 541 HA ASP 67 HA ASP 67 -3.531 -15.263 -2.651 542 HB2 ASP 67 HB2 ASP 67 -5.034 -13.772 -2.861 543 HB3 ASP 67 HB1 ASP 67 -3.839 -13.054 -3.898 544 H GLY 68 HN GLY 68 -6.002 -15.910 -2.754 545 HA2 GLY 68 HA2 GLY 68 -7.232 -17.814 -3.614 546 HA3 GLY 68 HA1 GLY 68 -5.700 -18.509 -4.086 547 H CYS 69 HN CYS 69 -6.312 -17.034 -0.892 548 HA CYS 69 HA CYS 69 -5.026 -18.947 0.580 549 HB2 CYS 69 HB2 CYS 69 -6.949 -18.063 2.351 550 HB3 CYS 69 HB1 CYS 69 -5.499 -17.173 1.962 551 HG CYS 69 HG CYS 69 -8.515 -16.719 0.427 552 H ASP 70 HN ASP 70 -5.400 -21.042 1.074 553 HA ASP 70 HA ASP 70 -8.206 -21.835 1.170 554 HB2 ASP 70 HB2 ASP 70 -6.738 -22.459 -0.962 555 HB3 ASP 70 HB1 ASP 70 -6.239 -23.790 0.083 556 H PHE 71 HN PHE 71 -8.638 -23.871 2.333 557 HA PHE 71 HA PHE 71 -6.931 -24.661 4.451 558 HB2 PHE 71 HB2 PHE 71 -8.822 -24.055 6.155 559 HB3 PHE 71 HB1 PHE 71 -7.642 -22.830 5.727 560 HD1 PHE 71 HD2 PHE 71 -11.092 -24.003 4.897 561 HD2 PHE 71 HD1 PHE 71 -8.355 -20.739 5.021 562 HE1 PHE 71 HE2 PHE 71 -12.918 -22.441 4.352 563 HE2 PHE 71 HE1 PHE 71 -10.173 -19.183 4.475 564 HZ PHE 71 HZ PHE 71 -12.459 -20.031 4.151 565 H GLU 72 HN GLU 72 -7.783 -26.637 5.401 566 HA GLU 72 HA GLU 72 -8.897 -28.622 5.376 567 HB2 GLU 72 HB2 GLU 72 -11.117 -27.142 3.946 568 HB3 GLU 72 HB1 GLU 72 -11.209 -28.839 4.360 569 HG2 GLU 72 HG2 GLU 72 -11.213 -26.464 6.219 570 HG3 GLU 72 HG1 GLU 72 -12.449 -27.665 5.945 571 H GLY 73 HN GLY 73 -6.933 -28.776 3.845 572 HA2 GLY 73 HA2 GLY 73 -6.376 -30.707 2.584 573 HA3 GLY 73 HA1 GLY 73 -7.929 -30.620 1.802 574 H ASN 74 HN ASN 74 -7.357 -27.650 1.045 575 HA ASN 74 HA ASN 74 -4.762 -28.095 -0.309 576 HB2 ASN 74 HB2 ASN 74 -6.741 -25.844 -1.057 577 HB3 ASN 74 HB1 ASN 74 -5.158 -26.134 -1.752 578 HD21 ASN 74 HD21 ASN 74 -4.840 -27.730 -3.230 579 HD22 ASN 74 HD22 ASN 74 -6.147 -28.611 -3.937 580 H LYS 75 HN LYS 75 -3.016 -27.172 0.581 581 HA LYS 75 HA LYS 75 -3.661 -25.458 2.910 582 HB2 LYS 75 HB2 LYS 75 -1.518 -27.444 2.515 583 HB3 LYS 75 HB1 LYS 75 -0.893 -25.894 3.022 584 HG2 LYS 75 HG2 LYS 75 -1.184 -27.059 5.008 585 HG3 LYS 75 HG1 LYS 75 -2.572 -25.994 4.950 586 HD2 LYS 75 HD2 LYS 75 -3.508 -28.368 3.781 587 HD3 LYS 75 HD1 LYS 75 -2.433 -28.915 5.055 588 HE2 LYS 75 HE2 LYS 75 -4.841 -27.103 5.355 589 HE3 LYS 75 HE1 LYS 75 -4.656 -28.762 5.927 590 HZ1 LYS 75 HZ1 LYS 75 -3.067 -26.436 6.872 591 HZ2 LYS 75 HZ2 LYS 75 -2.895 -28.026 7.412 592 HZ3 LYS 75 HZ3 LYS 75 -4.333 -27.185 7.716 593 H LEU 76 HN LEU 76 -3.732 -23.190 2.239 594 HA LEU 76 HA LEU 76 -1.244 -22.075 1.327 595 HB2 LEU 76 HB2 LEU 76 -3.101 -22.854 -0.814 596 HB3 LEU 76 HB1 LEU 76 -2.765 -21.136 -0.824 597 HG LEU 76 HG LEU 76 -0.370 -22.852 -0.597 598 HD11 LEU 76 HD11 LEU 76 -0.418 -23.407 -2.993 599 HD12 LEU 76 HD12 LEU 76 -2.063 -22.781 -3.090 600 HD13 LEU 76 HD13 LEU 76 -1.718 -24.204 -2.105 601 HD21 LEU 76 HD21 LEU 76 0.484 -21.244 -2.209 602 HD22 LEU 76 HD22 LEU 76 -0.290 -20.396 -0.869 603 HD23 LEU 76 HD23 LEU 76 -1.130 -20.563 -2.412 604 H ARG 77 HN ARG 77 -2.117 -20.658 3.447 605 HA ARG 77 HA ARG 77 -4.511 -19.114 2.713 606 HB2 ARG 77 HB2 ARG 77 -4.864 -20.078 4.826 607 HB3 ARG 77 HB1 ARG 77 -3.193 -19.933 5.277 608 HG2 ARG 77 HG2 ARG 77 -4.500 -18.535 6.749 609 HG3 ARG 77 HG1 ARG 77 -3.479 -17.522 5.736 610 HD2 ARG 77 HD2 ARG 77 -5.515 -17.103 4.297 611 HD3 ARG 77 HD1 ARG 77 -6.491 -17.903 5.570 612 HE ARG 77 HE ARG 77 -4.873 -15.888 6.705 613 HH11 ARG 77 HH11 ARG 77 -7.666 -16.257 4.622 614 HH12 ARG 77 HH12 ARG 77 -8.424 -14.783 5.142 615 HH21 ARG 77 HH22 ARG 77 -5.933 -13.975 7.466 616 HH22 ARG 77 HH21 ARG 77 -7.440 -13.496 6.751 617 H VAL 78 HN VAL 78 -3.906 -17.125 1.573 618 HA VAL 78 HA VAL 78 -1.735 -15.573 2.810 619 HB VAL 78 HB VAL 78 -2.323 -15.828 -0.223 620 HG11 VAL 78 HG11 VAL 78 -1.381 -13.642 0.866 621 HG12 VAL 78 HG12 VAL 78 -0.655 -14.297 -0.602 622 HG13 VAL 78 HG13 VAL 78 0.116 -14.568 0.963 623 HG21 VAL 78 HG21 VAL 78 -0.968 -17.670 -0.111 624 HG22 VAL 78 HG22 VAL 78 -0.544 -17.349 1.561 625 HG23 VAL 78 HG23 VAL 78 0.336 -16.543 0.271 626 H GLU 79 HN GLU 79 -2.704 -13.513 3.649 627 HA GLU 79 HA GLU 79 -4.688 -12.226 1.965 628 HB2 GLU 79 HB2 GLU 79 -5.759 -13.743 3.842 629 HB3 GLU 79 HB1 GLU 79 -5.314 -12.415 4.892 630 HG2 GLU 79 HG2 GLU 79 -6.649 -10.914 3.315 631 HG3 GLU 79 HG1 GLU 79 -7.273 -12.401 2.594 632 H VAL 80 HN VAL 80 -4.576 -9.994 2.070 633 HA VAL 80 HA VAL 80 -2.801 -8.768 3.982 634 HB VAL 80 HB VAL 80 -3.305 -6.652 2.795 635 HG11 VAL 80 HG11 VAL 80 -1.482 -8.141 2.117 636 HG12 VAL 80 HG12 VAL 80 -2.156 -7.260 0.746 637 HG13 VAL 80 HG13 VAL 80 -2.572 -8.956 0.997 638 HG21 VAL 80 HG21 VAL 80 -4.980 -8.363 0.939 639 HG22 VAL 80 HG22 VAL 80 -4.550 -6.670 0.694 640 HG23 VAL 80 HG23 VAL 80 -5.603 -7.127 2.032 641 HA PRO 81 HA PRO 81 -6.234 -7.499 6.653 642 HB2 PRO 81 HB2 PRO 81 -4.692 -6.834 8.777 643 HB3 PRO 81 HB1 PRO 81 -5.100 -8.518 8.392 644 HG2 PRO 81 HG2 PRO 81 -2.569 -7.041 7.960 645 HG3 PRO 81 HG1 PRO 81 -2.832 -8.750 8.358 646 HD2 PRO 81 HD2 PRO 81 -2.261 -7.746 5.828 647 HD3 PRO 81 HD1 PRO 81 -2.937 -9.348 6.183 648 H PHE 82 HN PHE 82 -4.837 -5.733 4.614 649 HA PHE 82 HA PHE 82 -5.319 -3.226 6.051 650 HB2 PHE 82 HB2 PHE 82 -3.554 -2.094 4.656 651 HB3 PHE 82 HB1 PHE 82 -2.949 -3.193 5.876 652 HD1 PHE 82 HD2 PHE 82 -3.780 -3.102 2.229 653 HD2 PHE 82 HD1 PHE 82 -1.294 -4.664 5.289 654 HE1 PHE 82 HE2 PHE 82 -2.352 -4.137 0.527 655 HE2 PHE 82 HE1 PHE 82 0.149 -5.705 3.606 656 HZ PHE 82 HZ PHE 82 -0.384 -5.441 1.216 657 H ASN 83 HN ASN 83 -5.703 -5.066 3.161 658 HA ASN 83 HA ASN 83 -6.814 -4.837 1.204 659 HB2 ASN 83 HB2 ASN 83 -8.502 -3.000 2.910 660 HB3 ASN 83 HB1 ASN 83 -8.893 -3.357 1.235 661 HD21 ASN 83 HD21 ASN 83 -10.804 -4.345 1.762 662 HD22 ASN 83 HD22 ASN 83 -10.882 -5.900 2.512 663 H ALA 84 HN ALA 84 -4.809 -3.837 0.201 664 HA ALA 84 HA ALA 84 -3.793 -2.402 -1.200 665 HB1 ALA 84 HB1 ALA 84 -5.090 -0.869 -2.562 666 HB2 ALA 84 HB2 ALA 84 -6.446 -0.954 -1.435 667 HB3 ALA 84 HB3 ALA 84 -5.984 -2.373 -2.369 668 H ARG 85 HN ARG 85 -4.514 0.639 -1.294 669 HA ARG 85 HA ARG 85 -3.420 1.254 1.410 670 HB2 ARG 85 HB2 ARG 85 -1.574 1.150 -0.312 671 HB3 ARG 85 HB1 ARG 85 -2.311 2.509 -1.135 672 HG2 ARG 85 HG2 ARG 85 -1.802 3.996 0.600 673 HG3 ARG 85 HG1 ARG 85 -1.446 2.688 1.729 674 HD2 ARG 85 HD2 ARG 85 0.676 2.404 0.936 675 HD3 ARG 85 HD1 ARG 85 0.187 2.707 -0.732 676 HE ARG 85 HE ARG 85 0.586 4.977 -0.422 677 HH11 ARG 85 HH12 ARG 85 1.184 3.262 2.596 678 HH12 ARG 85 HH11 ARG 85 2.036 4.589 3.311 679 HH21 ARG 85 HH21 ARG 85 1.727 6.704 0.554 680 HH22 ARG 85 HH22 ARG 85 2.342 6.526 2.165 681 H GLU 86 HN GLU 86 -5.364 2.192 2.226 682 HA GLU 86 HA GLU 86 -6.910 3.793 0.326 683 HB2 GLU 86 HB2 GLU 86 -7.914 1.873 1.760 684 HB3 GLU 86 HB1 GLU 86 -7.803 3.012 3.096 685 HG2 GLU 86 HG2 GLU 86 -9.164 4.627 1.649 686 HG3 GLU 86 HG1 GLU 86 -9.468 3.241 0.599 Start of MODEL 4 1 H1 GLY -2 HT1 GLY -2 -15.513 4.555 -1.959 2 H2 GLY -2 HT2 GLY -2 -15.028 5.279 -3.411 3 H3 GLY -2 HT3 GLY -2 -16.422 5.821 -2.623 4 HA2 GLY -2 HA1 GLY -2 -14.557 7.342 -2.310 5 HA3 GLY -2 HA2 GLY -2 -15.145 6.671 -0.794 6 H SER -1 HN SER -1 -12.570 7.777 -1.141 7 HA SER -1 HA SER -1 -10.854 5.402 -1.105 8 HB2 SER -1 HB2 SER -1 -10.064 8.258 -1.740 9 HB3 SER -1 HB1 SER -1 -8.989 6.866 -1.749 10 HG SER -1 HG SER -1 -9.756 6.249 -3.598 11 H HIS 0 HN HIS 0 -10.130 8.655 0.090 12 HA HIS 0 HA HIS 0 -9.507 9.533 2.079 13 HB2 HIS 0 HB2 HIS 0 -10.591 7.117 3.536 14 HB3 HIS 0 HB1 HIS 0 -10.249 8.703 4.209 15 HD1 HIS 0 HD1 HIS 0 -11.861 10.641 2.838 16 HD2 HIS 0 HD2 HIS 0 -13.215 6.738 3.253 17 HE1 HIS 0 HE1 HIS 0 -14.350 10.756 2.525 18 HE2 HIS 0 HE2 HIS 0 -15.161 8.416 3.004 19 H MET 1 HN MET 1 -7.303 9.414 1.712 20 HA MET 1 HA MET 1 -5.974 6.916 2.498 21 HB2 MET 1 HB2 MET 1 -4.682 9.224 1.038 22 HB3 MET 1 HB1 MET 1 -4.080 7.581 1.181 23 HG2 MET 1 HG2 MET 1 -4.878 7.457 -0.925 24 HG3 MET 1 HG1 MET 1 -6.370 7.066 -0.074 25 HE1 MET 1 HE1 MET 1 -5.371 11.100 -2.060 26 HE2 MET 1 HE2 MET 1 -4.407 9.632 -2.194 27 HE3 MET 1 HE3 MET 1 -4.454 10.519 -0.671 28 H VAL 2 HN VAL 2 -3.993 7.021 3.743 29 HA VAL 2 HA VAL 2 -2.468 7.695 5.283 30 HB VAL 2 HB VAL 2 -3.563 10.516 5.006 31 HG11 VAL 2 HG11 VAL 2 -1.540 11.241 6.168 32 HG12 VAL 2 HG12 VAL 2 -1.037 9.561 6.359 33 HG13 VAL 2 HG13 VAL 2 -2.481 10.146 7.183 34 HG21 VAL 2 HG21 VAL 2 -1.537 10.940 3.705 35 HG22 VAL 2 HG22 VAL 2 -2.521 9.681 2.959 36 HG23 VAL 2 HG23 VAL 2 -1.073 9.245 3.867 37 H ILE 3 HN ILE 3 -5.400 9.545 5.955 38 HA ILE 3 HA ILE 3 -6.867 9.715 7.620 39 HB ILE 3 HB ILE 3 -6.031 7.174 9.011 40 HG12 ILE 3 HG12 ILE 3 -6.167 6.759 6.502 41 HG13 ILE 3 HG11 ILE 3 -7.253 5.784 7.476 42 HG21 ILE 3 HG21 ILE 3 -7.957 8.877 9.715 43 HG22 ILE 3 HG22 ILE 3 -8.221 7.142 9.870 44 HG23 ILE 3 HG23 ILE 3 -8.875 8.020 8.483 45 HD11 ILE 3 HD11 ILE 3 -9.098 7.281 6.877 46 HD12 ILE 3 HD12 ILE 3 -8.335 6.564 5.458 47 HD13 ILE 3 HD13 ILE 3 -7.993 8.240 5.891 48 H ARG 4 HN ARG 4 -3.836 8.402 9.267 49 HA ARG 4 HA ARG 4 -3.397 10.624 10.841 50 HB2 ARG 4 HB2 ARG 4 -4.349 10.016 13.059 51 HB3 ARG 4 HB1 ARG 4 -5.594 10.367 11.875 52 HG2 ARG 4 HG2 ARG 4 -5.317 7.632 11.680 53 HG3 ARG 4 HG1 ARG 4 -5.106 7.936 13.406 54 HD2 ARG 4 HD2 ARG 4 -7.412 8.867 11.701 55 HD3 ARG 4 HD1 ARG 4 -7.456 7.535 12.846 56 HE ARG 4 HE ARG 4 -6.712 9.666 14.363 57 HH11 ARG 4 HH12 ARG 4 -9.438 9.118 12.179 58 HH12 ARG 4 HH11 ARG 4 -10.506 10.166 13.055 59 HH21 ARG 4 HH21 ARG 4 -8.162 11.025 15.510 60 HH22 ARG 4 HH22 ARG 4 -9.785 11.239 14.936 61 H GLU 5 HN GLU 5 -2.006 8.594 9.480 62 HA GLU 5 HA GLU 5 0.118 7.830 9.571 63 HB2 GLU 5 HB2 GLU 5 0.493 9.378 11.587 64 HB3 GLU 5 HB1 GLU 5 0.098 8.016 12.621 65 HG2 GLU 5 HG2 GLU 5 2.510 8.317 12.533 66 HG3 GLU 5 HG1 GLU 5 2.105 6.797 11.727 67 H SER 6 HN SER 6 0.583 5.563 9.204 68 HA SER 6 HA SER 6 -0.485 3.647 11.080 69 HB2 SER 6 HB2 SER 6 -2.400 4.260 9.486 70 HB3 SER 6 HB1 SER 6 -1.479 3.441 8.225 71 HG SER 6 HG SER 6 -3.038 2.387 10.156 72 H VAL 7 HN VAL 7 0.056 1.312 10.317 73 HA VAL 7 HA VAL 7 2.525 1.335 8.704 74 HB VAL 7 HB VAL 7 3.445 -0.572 9.958 75 HG11 VAL 7 HG11 VAL 7 3.996 0.550 12.048 76 HG12 VAL 7 HG12 VAL 7 2.707 1.714 11.753 77 HG13 VAL 7 HG13 VAL 7 4.084 1.628 10.654 78 HG21 VAL 7 HG21 VAL 7 2.437 -1.050 12.299 79 HG22 VAL 7 HG22 VAL 7 1.791 -1.888 10.900 80 HG23 VAL 7 HG23 VAL 7 0.915 -0.532 11.590 81 H SER 8 HN SER 8 2.449 0.231 6.867 82 HA SER 8 HA SER 8 0.054 -1.339 6.313 83 HB2 SER 8 HB2 SER 8 0.262 -0.140 4.412 84 HB3 SER 8 HB1 SER 8 1.964 0.219 4.728 85 HG SER 8 HG SER 8 2.483 -1.817 3.890 86 H ARG 9 HN ARG 9 -0.105 -3.459 6.294 87 HA ARG 9 HA ARG 9 2.326 -5.117 6.085 88 HB2 ARG 9 HB2 ARG 9 1.801 -6.342 8.240 89 HB3 ARG 9 HB1 ARG 9 2.370 -4.689 8.440 90 HG2 ARG 9 HG2 ARG 9 -0.079 -4.016 8.625 91 HG3 ARG 9 HG1 ARG 9 -0.448 -5.735 8.758 92 HD2 ARG 9 HD2 ARG 9 1.509 -5.524 10.602 93 HD3 ARG 9 HD1 ARG 9 0.829 -3.900 10.685 94 HE ARG 9 HE ARG 9 -1.227 -5.843 10.750 95 HH11 ARG 9 HH11 ARG 9 1.246 -4.414 12.820 96 HH12 ARG 9 HH12 ARG 9 0.384 -4.764 14.282 97 HH21 ARG 9 HH22 ARG 9 -2.290 -6.371 12.685 98 HH22 ARG 9 HH21 ARG 9 -1.621 -5.875 14.201 99 H ILE 10 HN ILE 10 1.931 -7.549 5.654 100 HA ILE 10 HA ILE 10 -0.902 -8.075 4.962 101 HB ILE 10 HB ILE 10 1.625 -9.245 3.689 102 HG12 ILE 10 HG12 ILE 10 -0.535 -7.431 2.624 103 HG13 ILE 10 HG11 ILE 10 1.192 -7.199 2.615 104 HG21 ILE 10 HG21 ILE 10 0.320 -10.739 2.304 105 HG22 ILE 10 HG22 ILE 10 -1.196 -10.114 2.939 106 HG23 ILE 10 HG23 ILE 10 -0.108 -11.030 3.986 107 HD11 ILE 10 HD11 ILE 10 0.660 -7.560 0.375 108 HD12 ILE 10 HD12 ILE 10 -0.508 -8.817 0.740 109 HD13 ILE 10 HD13 ILE 10 1.209 -9.147 0.894 110 H TYR 11 HN TYR 11 -1.858 -9.787 5.824 111 HA TYR 11 HA TYR 11 -0.380 -11.371 7.816 112 HB2 TYR 11 HB2 TYR 11 -2.503 -10.078 8.391 113 HB3 TYR 11 HB1 TYR 11 -3.393 -11.223 7.390 114 HD1 TYR 11 HD1 TYR 11 -1.437 -10.802 10.475 115 HD2 TYR 11 HD2 TYR 11 -3.897 -13.428 8.206 116 HE1 TYR 11 HE1 TYR 11 -1.675 -12.263 12.438 117 HE2 TYR 11 HE2 TYR 11 -4.143 -14.897 10.161 118 HH TYR 11 HH TYR 11 -2.889 -15.397 12.257 119 H VAL 12 HN VAL 12 0.213 -13.627 7.241 120 HA VAL 12 HA VAL 12 -1.491 -14.861 5.164 121 HB VAL 12 HB VAL 12 1.594 -15.180 5.395 122 HG11 VAL 12 HG11 VAL 12 -0.173 -16.387 3.251 123 HG12 VAL 12 HG12 VAL 12 0.577 -17.254 4.598 124 HG13 VAL 12 HG13 VAL 12 1.581 -16.475 3.384 125 HG21 VAL 12 HG21 VAL 12 1.219 -13.067 4.427 126 HG22 VAL 12 HG22 VAL 12 -0.034 -13.683 3.357 127 HG23 VAL 12 HG23 VAL 12 1.641 -14.167 3.113 128 H GLY 13 HN GLY 13 -2.666 -16.452 6.233 129 HA2 GLY 13 HA2 GLY 13 -1.055 -18.063 8.178 130 HA3 GLY 13 HA1 GLY 13 -2.805 -17.907 8.226 131 H ASN 14 HN ASN 14 -1.587 -20.446 8.302 132 HA ASN 14 HA ASN 14 -1.518 -22.506 7.280 133 HB2 ASN 14 HB2 ASN 14 -3.892 -21.252 5.944 134 HB3 ASN 14 HB1 ASN 14 -3.487 -22.954 5.763 135 HD21 ASN 14 HD21 ASN 14 -5.783 -21.539 6.995 136 HD22 ASN 14 HD22 ASN 14 -5.895 -22.165 8.601 137 H LEU 15 HN LEU 15 -0.071 -20.281 5.597 138 HA LEU 15 HA LEU 15 0.154 -21.299 3.012 139 HB2 LEU 15 HB2 LEU 15 1.037 -19.184 3.287 140 HB3 LEU 15 HB1 LEU 15 1.768 -19.576 4.817 141 HG LEU 15 HG LEU 15 3.075 -20.966 2.601 142 HD11 LEU 15 HD11 LEU 15 2.381 -18.927 1.389 143 HD12 LEU 15 HD12 LEU 15 4.126 -19.011 1.624 144 HD13 LEU 15 HD13 LEU 15 3.155 -17.952 2.642 145 HD21 LEU 15 HD21 LEU 15 5.065 -20.039 3.675 146 HD22 LEU 15 HD22 LEU 15 3.986 -20.763 4.869 147 HD23 LEU 15 HD23 LEU 15 4.052 -19.009 4.689 148 HA PRO 16 HA PRO 16 2.805 -24.829 3.993 149 HB2 PRO 16 HB2 PRO 16 2.437 -26.103 1.603 150 HB3 PRO 16 HB1 PRO 16 1.314 -26.239 2.961 151 HG2 PRO 16 HG2 PRO 16 0.972 -24.876 0.412 152 HG3 PRO 16 HG1 PRO 16 -0.251 -25.315 1.619 153 HD2 PRO 16 HD2 PRO 16 0.980 -22.744 1.146 154 HD3 PRO 16 HD1 PRO 16 -0.335 -23.146 2.269 155 H SER 17 HN SER 17 5.071 -24.628 3.765 156 HA SER 17 HA SER 17 6.976 -23.520 3.197 157 HB2 SER 17 HB2 SER 17 6.469 -25.242 0.763 158 HB3 SER 17 HB1 SER 17 8.028 -24.517 1.162 159 HG SER 17 HG SER 17 7.795 -25.648 3.234 160 H HIS 18 HN HIS 18 6.348 -23.580 -0.213 161 HA HIS 18 HA HIS 18 6.497 -22.068 -1.844 162 HB2 HIS 18 HB2 HIS 18 4.144 -21.756 -1.174 163 HB3 HIS 18 HB1 HIS 18 4.634 -20.416 -0.162 164 HD1 HIS 18 HD1 HIS 18 6.262 -20.671 -3.504 165 HD2 HIS 18 HD2 HIS 18 3.026 -18.679 -1.796 166 HE1 HIS 18 HE1 HIS 18 5.668 -18.844 -5.112 167 HE2 HIS 18 HE2 HIS 18 3.575 -17.810 -4.182 168 H VAL 19 HN VAL 19 6.216 -19.396 0.511 169 HA VAL 19 HA VAL 19 8.878 -18.658 -0.401 170 HB VAL 19 HB VAL 19 8.408 -16.315 0.464 171 HG11 VAL 19 HG11 VAL 19 8.009 -16.702 -1.872 172 HG12 VAL 19 HG12 VAL 19 6.738 -15.669 -1.231 173 HG13 VAL 19 HG13 VAL 19 6.415 -17.372 -1.530 174 HG21 VAL 19 HG21 VAL 19 5.575 -17.256 0.938 175 HG22 VAL 19 HG22 VAL 19 6.174 -15.596 1.096 176 HG23 VAL 19 HG23 VAL 19 6.730 -16.848 2.207 177 H SER 20 HN SER 20 10.645 -19.509 1.024 178 HA SER 20 HA SER 20 10.200 -19.547 3.868 179 HB2 SER 20 HB2 SER 20 12.864 -19.596 2.405 180 HB3 SER 20 HB1 SER 20 12.496 -20.284 3.981 181 HG SER 20 HG SER 20 10.965 -21.665 2.823 182 H SER 21 HN SER 21 11.935 -18.163 5.383 183 HA SER 21 HA SER 21 11.131 -15.605 5.499 184 HB2 SER 21 HB2 SER 21 13.932 -16.445 6.218 185 HB3 SER 21 HB1 SER 21 12.946 -15.205 6.994 186 HG SER 21 HG SER 21 12.393 -16.785 8.272 187 H ARG 22 HN ARG 22 14.225 -16.596 3.968 188 HA ARG 22 HA ARG 22 15.000 -14.037 3.166 189 HB2 ARG 22 HB2 ARG 22 16.840 -15.385 3.181 190 HB3 ARG 22 HB1 ARG 22 16.073 -16.762 2.454 191 HG2 ARG 22 HG2 ARG 22 16.628 -14.369 0.746 192 HG3 ARG 22 HG1 ARG 22 17.973 -15.373 1.264 193 HD2 ARG 22 HD2 ARG 22 17.474 -16.928 -0.253 194 HD3 ARG 22 HD1 ARG 22 15.779 -16.976 0.247 195 HE ARG 22 HE ARG 22 15.252 -15.627 -1.493 196 HH11 ARG 22 HH11 ARG 22 18.751 -15.442 -1.162 197 HH12 ARG 22 HH12 ARG 22 18.941 -14.511 -2.606 198 HH21 ARG 22 HH22 ARG 22 15.506 -14.360 -3.303 199 HH22 ARG 22 HH21 ARG 22 17.095 -13.891 -3.825 200 H ASP 23 HN ASP 23 13.149 -16.391 1.093 201 HA ASP 23 HA ASP 23 12.897 -14.314 -0.802 202 HB2 ASP 23 HB2 ASP 23 11.951 -17.171 -1.207 203 HB3 ASP 23 HB1 ASP 23 11.233 -15.852 -2.146 204 H VAL 24 HN VAL 24 10.777 -14.938 2.130 205 HA VAL 24 HA VAL 24 8.775 -13.263 1.103 206 HB VAL 24 HB VAL 24 9.599 -12.850 3.950 207 HG11 VAL 24 HG11 VAL 24 7.731 -11.643 3.093 208 HG12 VAL 24 HG12 VAL 24 7.327 -12.705 4.440 209 HG13 VAL 24 HG13 VAL 24 6.892 -13.173 2.800 210 HG21 VAL 24 HG21 VAL 24 9.607 -15.044 4.410 211 HG22 VAL 24 HG22 VAL 24 8.732 -15.489 2.955 212 HG23 VAL 24 HG23 VAL 24 7.872 -14.834 4.351 213 H GLU 25 HN GLU 25 11.986 -12.411 2.600 214 HA GLU 25 HA GLU 25 11.664 -9.710 2.204 215 HB2 GLU 25 HB2 GLU 25 13.629 -11.055 3.385 216 HB3 GLU 25 HB1 GLU 25 14.381 -10.905 1.817 217 HG2 GLU 25 HG2 GLU 25 13.374 -8.350 2.696 218 HG3 GLU 25 HG1 GLU 25 14.485 -9.053 3.865 219 H ASN 26 HN ASN 26 13.245 -11.983 -0.304 220 HA ASN 26 HA ASN 26 13.536 -9.725 -2.007 221 HB2 ASN 26 HB2 ASN 26 15.181 -11.501 -2.304 222 HB3 ASN 26 HB1 ASN 26 13.906 -12.615 -2.854 223 HD21 ASN 26 HD21 ASN 26 15.746 -9.748 -3.618 224 HD22 ASN 26 HD22 ASN 26 15.456 -9.781 -5.321 225 H GLU 27 HN GLU 27 11.287 -12.622 -2.547 226 HA GLU 27 HA GLU 27 9.970 -11.479 -4.703 227 HB2 GLU 27 HB2 GLU 27 9.764 -13.852 -3.770 228 HB3 GLU 27 HB1 GLU 27 8.596 -13.213 -2.662 229 HG2 GLU 27 HG2 GLU 27 7.386 -14.287 -4.381 230 HG3 GLU 27 HG1 GLU 27 7.163 -12.561 -4.650 231 H PHE 28 HN PHE 28 9.370 -10.701 -1.109 232 HA PHE 28 HA PHE 28 7.135 -9.235 -2.193 233 HB2 PHE 28 HB2 PHE 28 7.936 -9.717 0.634 234 HB3 PHE 28 HB1 PHE 28 6.868 -8.381 0.254 235 HD1 PHE 28 HD2 PHE 28 4.648 -8.810 -0.772 236 HD2 PHE 28 HD1 PHE 28 7.107 -12.041 0.651 237 HE1 PHE 28 HE2 PHE 28 2.702 -10.320 -0.729 238 HE2 PHE 28 HE1 PHE 28 5.128 -13.484 0.639 239 HZ PHE 28 HZ PHE 28 2.950 -12.625 0.008 240 H ARG 29 HN ARG 29 10.392 -8.475 -1.278 241 HA ARG 29 HA ARG 29 10.104 -5.697 -1.167 242 HB2 ARG 29 HB2 ARG 29 12.417 -5.321 -1.302 243 HB3 ARG 29 HB1 ARG 29 12.222 -6.779 -0.368 244 HG2 ARG 29 HG2 ARG 29 14.096 -7.256 -1.650 245 HG3 ARG 29 HG1 ARG 29 12.799 -7.991 -2.632 246 HD2 ARG 29 HD2 ARG 29 14.659 -6.541 -3.771 247 HD3 ARG 29 HD1 ARG 29 12.977 -6.353 -4.275 248 HE ARG 29 HE ARG 29 12.949 -4.226 -3.402 249 HH11 ARG 29 HH11 ARG 29 15.893 -5.786 -2.318 250 HH12 ARG 29 HH12 ARG 29 16.592 -4.323 -1.715 251 HH21 ARG 29 HH21 ARG 29 13.859 -2.314 -2.614 252 HH22 ARG 29 HH22 ARG 29 15.430 -2.345 -1.885 253 H LYS 30 HN LYS 30 10.408 -7.714 -4.116 254 HA LYS 30 HA LYS 30 10.726 -5.145 -5.438 255 HB2 LYS 30 HB2 LYS 30 10.317 -5.979 -7.674 256 HB3 LYS 30 HB1 LYS 30 11.422 -7.102 -6.915 257 HG2 LYS 30 HG2 LYS 30 10.051 -8.784 -7.493 258 HG3 LYS 30 HG1 LYS 30 8.745 -8.070 -6.529 259 HD2 LYS 30 HD2 LYS 30 9.345 -7.313 -9.401 260 HD3 LYS 30 HD1 LYS 30 8.142 -8.496 -8.924 261 HE2 LYS 30 HE2 LYS 30 6.813 -6.754 -7.785 262 HE3 LYS 30 HE1 LYS 30 8.074 -5.563 -8.136 263 HZ1 LYS 30 HZ1 LYS 30 6.217 -5.435 -9.690 264 HZ2 LYS 30 HZ2 LYS 30 6.514 -7.018 -10.203 265 HZ3 LYS 30 HZ3 LYS 30 7.662 -5.806 -10.491 266 H TYR 31 HN TYR 31 7.905 -6.790 -4.398 267 HA TYR 31 HA TYR 31 6.246 -5.442 -6.300 268 HB2 TYR 31 HB2 TYR 31 5.717 -7.351 -4.019 269 HB3 TYR 31 HB1 TYR 31 4.388 -6.563 -4.808 270 HD1 TYR 31 HD1 TYR 31 4.228 -7.063 -7.560 271 HD2 TYR 31 HD2 TYR 31 6.471 -9.402 -4.763 272 HE1 TYR 31 HE1 TYR 31 4.272 -8.932 -9.165 273 HE2 TYR 31 HE2 TYR 31 6.525 -11.241 -6.350 274 HH TYR 31 HH TYR 31 5.305 -12.084 -8.248 275 H GLY 32 HN GLY 32 6.495 -5.106 -2.608 276 HA2 GLY 32 HA2 GLY 32 6.712 -2.306 -3.424 277 HA3 GLY 32 HA1 GLY 32 5.766 -2.732 -1.998 278 H ASN 33 HN ASN 33 7.926 -0.956 -1.529 279 HA ASN 33 HA ASN 33 10.340 -2.499 -1.168 280 HB2 ASN 33 HB2 ASN 33 9.667 0.380 -0.722 281 HB3 ASN 33 HB1 ASN 33 11.029 -0.308 0.132 282 HD21 ASN 33 HD21 ASN 33 10.948 1.748 -1.893 283 HD22 ASN 33 HD22 ASN 33 11.971 1.200 -3.178 284 H ILE 34 HN ILE 34 10.208 -4.046 0.425 285 HA ILE 34 HA ILE 34 8.646 -3.584 2.749 286 HB ILE 34 HB ILE 34 8.631 -5.826 2.333 287 HG12 ILE 34 HG12 ILE 34 9.460 -5.297 4.779 288 HG13 ILE 34 HG11 ILE 34 9.304 -6.950 4.208 289 HG21 ILE 34 HG21 ILE 34 11.586 -5.705 1.868 290 HG22 ILE 34 HG22 ILE 34 10.305 -5.960 0.700 291 HG23 ILE 34 HG23 ILE 34 10.652 -7.202 1.884 292 HD11 ILE 34 HD11 ILE 34 11.760 -6.970 3.807 293 HD12 ILE 34 HD12 ILE 34 11.338 -6.716 5.485 294 HD13 ILE 34 HD13 ILE 34 11.864 -5.362 4.495 295 H LEU 35 HN LEU 35 8.982 -2.798 4.763 296 HA LEU 35 HA LEU 35 11.708 -2.134 5.629 297 HB2 LEU 35 HB2 LEU 35 9.197 -1.790 7.293 298 HB3 LEU 35 HB1 LEU 35 10.770 -1.090 7.576 299 HG LEU 35 HG LEU 35 9.318 -0.433 5.058 300 HD11 LEU 35 HD11 LEU 35 7.644 -0.020 6.739 301 HD12 LEU 35 HD12 LEU 35 8.329 1.525 6.250 302 HD13 LEU 35 HD13 LEU 35 8.824 0.788 7.770 303 HD21 LEU 35 HD21 LEU 35 11.361 0.965 6.784 304 HD22 LEU 35 HD22 LEU 35 10.466 1.800 5.519 305 HD23 LEU 35 HD23 LEU 35 11.534 0.463 5.100 306 H LYS 36 HN LYS 36 9.128 -4.354 7.075 307 HA LYS 36 HA LYS 36 11.348 -6.109 7.831 308 HB2 LYS 36 HB2 LYS 36 10.502 -6.448 10.125 309 HB3 LYS 36 HB1 LYS 36 10.795 -4.762 9.832 310 HG2 LYS 36 HG2 LYS 36 8.712 -4.221 10.379 311 HG3 LYS 36 HG1 LYS 36 8.031 -5.422 9.288 312 HD2 LYS 36 HD2 LYS 36 8.879 -7.083 11.176 313 HD3 LYS 36 HD1 LYS 36 8.701 -5.649 12.178 314 HE2 LYS 36 HE2 LYS 36 6.552 -6.753 10.389 315 HE3 LYS 36 HE1 LYS 36 6.688 -7.135 12.104 316 HZ1 LYS 36 HZ1 LYS 36 6.256 -4.428 10.956 317 HZ2 LYS 36 HZ2 LYS 36 6.422 -4.779 12.601 318 HZ3 LYS 36 HZ3 LYS 36 5.099 -5.379 11.744 319 H CYS 37 HN CYS 37 10.972 -8.295 7.011 320 HA CYS 37 HA CYS 37 8.167 -9.257 6.941 321 HB2 CYS 37 HB2 CYS 37 10.512 -10.928 6.001 322 HB3 CYS 37 HB1 CYS 37 8.840 -11.035 5.507 323 HG CYS 37 HG CYS 37 9.316 -9.991 3.244 324 H ASP 38 HN ASP 38 7.615 -10.086 8.949 325 HA ASP 38 HA ASP 38 9.790 -11.828 10.126 326 HB2 ASP 38 HB2 ASP 38 8.957 -9.832 11.486 327 HB3 ASP 38 HB1 ASP 38 7.468 -10.763 11.752 328 H VAL 39 HN VAL 39 9.371 -13.933 10.767 329 HA VAL 39 HA VAL 39 6.789 -15.071 9.871 330 HB VAL 39 HB VAL 39 9.284 -16.808 10.161 331 HG11 VAL 39 HG11 VAL 39 8.420 -18.129 8.301 332 HG12 VAL 39 HG12 VAL 39 6.989 -17.117 8.235 333 HG13 VAL 39 HG13 VAL 39 7.327 -18.085 9.680 334 HG21 VAL 39 HG21 VAL 39 8.943 -15.003 7.822 335 HG22 VAL 39 HG22 VAL 39 9.623 -16.610 7.636 336 HG23 VAL 39 HG23 VAL 39 10.386 -15.454 8.726 337 H LYS 40 HN LYS 40 5.643 -15.297 11.666 338 HA LYS 40 HA LYS 40 7.020 -16.498 13.940 339 HB2 LYS 40 HB2 LYS 40 4.404 -14.959 13.673 340 HB3 LYS 40 HB1 LYS 40 4.935 -15.670 15.209 341 HG2 LYS 40 HG2 LYS 40 6.999 -14.082 13.999 342 HG3 LYS 40 HG1 LYS 40 5.506 -13.158 14.186 343 HD2 LYS 40 HD2 LYS 40 5.540 -14.192 16.607 344 HD3 LYS 40 HD1 LYS 40 7.273 -14.345 16.293 345 HE2 LYS 40 HE2 LYS 40 6.970 -11.831 15.493 346 HE3 LYS 40 HE1 LYS 40 5.612 -11.906 16.617 347 HZ1 LYS 40 HZ1 LYS 40 8.452 -12.485 17.250 348 HZ2 LYS 40 HZ2 LYS 40 7.169 -12.649 18.340 349 HZ3 LYS 40 HZ3 LYS 40 7.574 -11.123 17.730 350 H LYS 41 HN LYS 41 6.060 -18.571 15.010 351 HA LYS 41 HA LYS 41 4.319 -19.906 13.056 352 HB2 LYS 41 HB2 LYS 41 5.727 -21.765 12.561 353 HB3 LYS 41 HB1 LYS 41 6.930 -20.521 12.702 354 HG2 LYS 41 HG2 LYS 41 6.290 -22.623 14.773 355 HG3 LYS 41 HG1 LYS 41 7.698 -22.543 13.719 356 HD2 LYS 41 HD2 LYS 41 6.966 -20.649 15.934 357 HD3 LYS 41 HD1 LYS 41 8.314 -21.785 15.926 358 HE2 LYS 41 HE2 LYS 41 9.019 -20.382 13.785 359 HE3 LYS 41 HE1 LYS 41 7.999 -19.148 14.537 360 HZ1 LYS 41 HZ1 LYS 41 10.318 -18.918 15.185 361 HZ2 LYS 41 HZ2 LYS 41 10.329 -20.485 15.819 362 HZ3 LYS 41 HZ3 LYS 41 9.360 -19.297 16.526 363 H THR 42 HN THR 42 2.780 -21.545 14.082 364 HA THR 42 HA THR 42 2.841 -21.182 16.968 365 HB THR 42 HB THR 42 0.743 -20.537 15.762 366 HG1 THR 42 HG1 THR 42 -0.209 -20.966 17.571 367 HG21 THR 42 HG21 THR 42 0.687 -23.441 15.049 368 HG22 THR 42 HG22 THR 42 0.369 -22.056 14.020 369 HG23 THR 42 HG23 THR 42 -0.815 -22.547 15.226 370 H VAL 43 HN VAL 43 2.060 -23.087 18.340 371 HA VAL 43 HA VAL 43 3.561 -25.410 18.010 372 HB VAL 43 HB VAL 43 2.279 -26.335 19.918 373 HG11 VAL 43 HG11 VAL 43 3.152 -23.464 20.203 374 HG12 VAL 43 HG12 VAL 43 4.182 -24.889 20.307 375 HG13 VAL 43 HG13 VAL 43 2.945 -24.605 21.531 376 HG21 VAL 43 HG21 VAL 43 0.606 -24.933 21.071 377 HG22 VAL 43 HG22 VAL 43 0.040 -25.461 19.492 378 HG23 VAL 43 HG23 VAL 43 0.614 -23.810 19.716 379 H SER 44 HN SER 44 0.850 -24.850 16.070 380 HA SER 44 HA SER 44 -0.134 -27.607 16.202 381 HB2 SER 44 HB2 SER 44 -1.773 -25.595 16.377 382 HB3 SER 44 HB1 SER 44 -1.407 -25.290 14.675 383 HG SER 44 HG SER 44 -2.059 -27.589 14.386 384 H GLY 45 HN GLY 45 2.336 -26.219 14.741 385 HA2 GLY 45 HA2 GLY 45 3.559 -26.817 12.864 386 HA3 GLY 45 HA1 GLY 45 2.241 -27.849 12.354 387 H ALA 46 HN ALA 46 0.754 -24.955 12.690 388 HA ALA 46 HA ALA 46 0.894 -24.311 9.888 389 HB1 ALA 46 HB1 ALA 46 -0.771 -23.272 12.188 390 HB2 ALA 46 HB2 ALA 46 -1.275 -24.231 10.808 391 HB3 ALA 46 HB3 ALA 46 -0.833 -22.546 10.601 392 H ALA 47 HN ALA 47 1.953 -22.504 8.945 393 HA ALA 47 HA ALA 47 3.681 -20.931 10.751 394 HB1 ALA 47 HB1 ALA 47 5.301 -20.537 9.000 395 HB2 ALA 47 HB2 ALA 47 4.231 -21.170 7.763 396 HB3 ALA 47 HB3 ALA 47 4.938 -22.262 8.957 397 H PHE 48 HN PHE 48 3.642 -18.522 10.621 398 HA PHE 48 HA PHE 48 1.608 -17.605 8.670 399 HB2 PHE 48 HB2 PHE 48 2.514 -16.267 11.241 400 HB3 PHE 48 HB1 PHE 48 1.120 -15.829 10.269 401 HD1 PHE 48 HD2 PHE 48 -0.844 -17.328 10.203 402 HD2 PHE 48 HD1 PHE 48 2.409 -17.978 12.865 403 HE1 PHE 48 HE2 PHE 48 -2.235 -18.803 11.562 404 HE2 PHE 48 HE1 PHE 48 1.039 -19.360 14.223 405 HZ PHE 48 HZ PHE 48 -1.308 -19.842 13.609 406 H ALA 49 HN ALA 49 2.174 -15.784 7.354 407 HA ALA 49 HA ALA 49 4.901 -14.732 7.732 408 HB1 ALA 49 HB1 ALA 49 4.260 -16.043 5.545 409 HB2 ALA 49 HB2 ALA 49 5.252 -14.617 5.444 410 HB3 ALA 49 HB3 ALA 49 3.537 -14.508 5.069 411 H PHE 50 HN PHE 50 5.259 -12.510 7.762 412 HA PHE 50 HA PHE 50 2.834 -10.886 7.833 413 HB2 PHE 50 HB2 PHE 50 4.078 -11.792 10.080 414 HB3 PHE 50 HB1 PHE 50 4.937 -10.262 9.864 415 HD1 PHE 50 HD2 PHE 50 2.356 -8.904 8.592 416 HD2 PHE 50 HD1 PHE 50 3.110 -11.130 12.139 417 HE1 PHE 50 HE2 PHE 50 0.476 -7.782 9.696 418 HE2 PHE 50 HE1 PHE 50 1.228 -10.010 13.246 419 HZ PHE 50 HZ PHE 50 -0.090 -8.330 12.026 420 H ILE 51 HN ILE 51 3.153 -9.151 6.353 421 HA ILE 51 HA ILE 51 6.041 -8.440 5.924 422 HB ILE 51 HB ILE 51 4.217 -8.202 3.502 423 HG12 ILE 51 HG12 ILE 51 5.127 -10.260 2.550 424 HG13 ILE 51 HG11 ILE 51 6.065 -10.561 3.979 425 HG21 ILE 51 HG21 ILE 51 6.296 -6.974 3.569 426 HG22 ILE 51 HG22 ILE 51 6.349 -8.235 2.335 427 HG23 ILE 51 HG23 ILE 51 7.186 -8.468 3.868 428 HD11 ILE 51 HD11 ILE 51 3.055 -10.845 3.578 429 HD12 ILE 51 HD12 ILE 51 3.847 -11.032 5.146 430 HD13 ILE 51 HD13 ILE 51 4.228 -12.139 3.828 431 H GLU 52 HN GLU 52 6.328 -6.551 6.644 432 HA GLU 52 HA GLU 52 4.273 -4.486 6.329 433 HB2 GLU 52 HB2 GLU 52 4.994 -4.870 8.620 434 HB3 GLU 52 HB1 GLU 52 6.651 -4.556 8.159 435 HG2 GLU 52 HG2 GLU 52 5.976 -2.216 7.557 436 HG3 GLU 52 HG1 GLU 52 4.390 -2.556 8.258 437 H PHE 53 HN PHE 53 4.535 -3.263 4.496 438 HA PHE 53 HA PHE 53 7.304 -2.494 3.783 439 HB2 PHE 53 HB2 PHE 53 6.009 -2.187 1.343 440 HB3 PHE 53 HB1 PHE 53 6.947 -3.589 1.798 441 HD1 PHE 53 HD1 PHE 53 3.524 -2.428 2.599 442 HD2 PHE 53 HD2 PHE 53 5.955 -5.512 0.922 443 HE1 PHE 53 HE1 PHE 53 1.548 -3.803 2.234 444 HE2 PHE 53 HE2 PHE 53 4.000 -6.884 0.624 445 HZ PHE 53 HZ PHE 53 1.780 -6.026 1.237 446 H GLU 54 HN GLU 54 7.761 -0.275 2.973 447 HA GLU 54 HA GLU 54 6.049 1.813 3.768 448 HB2 GLU 54 HB2 GLU 54 7.146 3.411 2.280 449 HB3 GLU 54 HB1 GLU 54 8.346 2.466 3.094 450 HG2 GLU 54 HG2 GLU 54 8.260 1.041 0.840 451 HG3 GLU 54 HG1 GLU 54 7.657 2.570 0.181 452 H ASP 55 HN ASP 55 5.770 -0.059 0.757 453 HA ASP 55 HA ASP 55 3.592 1.795 0.036 454 HB2 ASP 55 HB2 ASP 55 5.181 -0.073 -1.746 455 HB3 ASP 55 HB1 ASP 55 3.868 0.947 -2.308 456 H ALA 56 HN ALA 56 1.699 0.798 0.893 457 HA ALA 56 HA ALA 56 1.267 -1.974 0.586 458 HB1 ALA 56 HB1 ALA 56 -1.028 -1.672 1.296 459 HB2 ALA 56 HB2 ALA 56 -0.817 0.071 1.274 460 HB3 ALA 56 HB3 ALA 56 0.135 -0.920 2.368 461 H ARG 57 HN ARG 57 0.232 0.640 -1.655 462 HA ARG 57 HA ARG 57 -1.701 -1.149 -2.787 463 HB2 ARG 57 HB2 ARG 57 -2.665 0.492 -3.994 464 HB3 ARG 57 HB1 ARG 57 -2.014 1.413 -2.662 465 HG2 ARG 57 HG2 ARG 57 0.004 1.665 -4.518 466 HG3 ARG 57 HG1 ARG 57 -1.413 1.530 -5.554 467 HD2 ARG 57 HD2 ARG 57 -2.482 3.313 -4.064 468 HD3 ARG 57 HD1 ARG 57 -0.871 3.563 -3.392 469 HE ARG 57 HE ARG 57 -0.834 3.708 -6.226 470 HH11 ARG 57 HH11 ARG 57 -1.697 5.566 -3.365 471 HH12 ARG 57 HH12 ARG 57 -1.493 7.099 -4.145 472 HH21 ARG 57 HH21 ARG 57 -0.662 5.718 -7.267 473 HH22 ARG 57 HH22 ARG 57 -0.902 7.182 -6.375 474 H ASP 58 HN ASP 58 1.599 -0.163 -4.036 475 HA ASP 58 HA ASP 58 1.290 -1.642 -6.436 476 HB2 ASP 58 HB2 ASP 58 3.416 -0.120 -5.372 477 HB3 ASP 58 HB1 ASP 58 4.103 -1.741 -5.652 478 H ALA 59 HN ALA 59 2.852 -2.882 -3.413 479 HA ALA 59 HA ALA 59 3.300 -5.428 -3.851 480 HB1 ALA 59 HB1 ALA 59 2.780 -5.638 -1.326 481 HB2 ALA 59 HB2 ALA 59 2.463 -3.918 -1.465 482 HB3 ALA 59 HB3 ALA 59 4.035 -4.558 -1.924 483 H ALA 60 HN ALA 60 0.016 -4.270 -3.596 484 HA ALA 60 HA ALA 60 -1.536 -6.460 -3.378 485 HB1 ALA 60 HB1 ALA 60 -2.611 -4.356 -3.585 486 HB2 ALA 60 HB2 ALA 60 -3.143 -5.287 -4.976 487 HB3 ALA 60 HB3 ALA 60 -1.910 -4.044 -5.178 488 H ASP 61 HN ASP 61 0.259 -5.667 -6.548 489 HA ASP 61 HA ASP 61 -0.349 -7.886 -8.045 490 HB2 ASP 61 HB2 ASP 61 2.298 -6.506 -7.759 491 HB3 ASP 61 HB1 ASP 61 2.057 -7.863 -8.850 492 H ALA 62 HN ALA 62 2.135 -7.971 -5.444 493 HA ALA 62 HA ALA 62 2.629 -10.715 -5.587 494 HB1 ALA 62 HB1 ALA 62 2.725 -9.129 -3.009 495 HB2 ALA 62 HB2 ALA 62 4.049 -9.310 -4.145 496 HB3 ALA 62 HB3 ALA 62 3.428 -10.704 -3.293 497 H ILE 63 HN ILE 63 0.223 -9.009 -3.450 498 HA ILE 63 HA ILE 63 -0.542 -11.514 -2.391 499 HB ILE 63 HB ILE 63 -1.041 -9.160 -1.391 500 HG12 ILE 63 HG12 ILE 63 -2.407 -11.808 -1.136 501 HG13 ILE 63 HG11 ILE 63 -1.255 -11.051 -0.055 502 HG21 ILE 63 HG21 ILE 63 -3.297 -8.418 -1.499 503 HG22 ILE 63 HG22 ILE 63 -3.748 -9.771 -2.527 504 HG23 ILE 63 HG23 ILE 63 -2.698 -8.507 -3.157 505 HD11 ILE 63 HD11 ILE 63 -3.121 -10.927 1.203 506 HD12 ILE 63 HD12 ILE 63 -4.191 -10.807 -0.200 507 HD13 ILE 63 HD13 ILE 63 -3.279 -9.404 0.331 508 H LYS 64 HN LYS 64 -2.331 -9.782 -5.011 509 HA LYS 64 HA LYS 64 -3.952 -11.865 -5.609 510 HB2 LYS 64 HB2 LYS 64 -4.144 -11.047 -7.944 511 HB3 LYS 64 HB1 LYS 64 -4.387 -9.806 -6.747 512 HG2 LYS 64 HG2 LYS 64 -3.172 -8.720 -8.410 513 HG3 LYS 64 HG1 LYS 64 -1.927 -9.125 -7.236 514 HD2 LYS 64 HD2 LYS 64 -0.946 -10.692 -8.611 515 HD3 LYS 64 HD1 LYS 64 -2.414 -10.987 -9.554 516 HE2 LYS 64 HE2 LYS 64 -1.236 -8.280 -9.708 517 HE3 LYS 64 HE1 LYS 64 -0.316 -9.584 -10.436 518 HZ1 LYS 64 HZ1 LYS 64 -3.132 -8.891 -11.057 519 HZ2 LYS 64 HZ2 LYS 64 -2.230 -10.135 -11.774 520 HZ3 LYS 64 HZ3 LYS 64 -1.781 -8.526 -12.013 521 H GLU 65 HN GLU 65 -0.466 -11.726 -6.751 522 HA GLU 65 HA GLU 65 -0.788 -13.962 -8.451 523 HB2 GLU 65 HB2 GLU 65 1.544 -14.172 -8.639 524 HB3 GLU 65 HB1 GLU 65 1.298 -12.461 -8.374 525 HG2 GLU 65 HG2 GLU 65 2.870 -12.649 -6.825 526 HG3 GLU 65 HG1 GLU 65 1.678 -13.398 -5.863 527 H LYS 66 HN LYS 66 -0.063 -13.862 -4.926 528 HA LYS 66 HA LYS 66 -0.482 -16.723 -5.080 529 HB2 LYS 66 HB2 LYS 66 0.723 -17.054 -3.121 530 HB3 LYS 66 HB1 LYS 66 1.577 -15.794 -4.004 531 HG2 LYS 66 HG2 LYS 66 -0.329 -14.932 -1.873 532 HG3 LYS 66 HG1 LYS 66 1.143 -15.737 -1.351 533 HD2 LYS 66 HD2 LYS 66 0.894 -13.137 -2.904 534 HD3 LYS 66 HD1 LYS 66 1.502 -13.370 -1.278 535 HE2 LYS 66 HE2 LYS 66 2.877 -14.146 -3.880 536 HE3 LYS 66 HE1 LYS 66 3.372 -12.947 -2.692 537 HZ1 LYS 66 HZ1 LYS 66 4.664 -15.003 -2.556 538 HZ2 LYS 66 HZ2 LYS 66 3.264 -15.863 -2.151 539 HZ3 LYS 66 HZ3 LYS 66 3.851 -14.669 -1.107 540 H ASP 67 HN ASP 67 -2.848 -14.816 -5.265 541 HA ASP 67 HA ASP 67 -4.182 -14.986 -2.751 542 HB2 ASP 67 HB2 ASP 67 -5.962 -13.780 -3.312 543 HB3 ASP 67 HB1 ASP 67 -4.702 -13.029 -4.258 544 H GLY 68 HN GLY 68 -6.670 -15.781 -2.731 545 HA2 GLY 68 HA2 GLY 68 -7.794 -17.894 -3.327 546 HA3 GLY 68 HA1 GLY 68 -6.198 -18.578 -3.514 547 H CYS 69 HN CYS 69 -7.023 -16.476 -0.705 548 HA CYS 69 HA CYS 69 -6.198 -18.174 1.245 549 HB2 CYS 69 HB2 CYS 69 -8.337 -16.875 2.438 550 HB3 CYS 69 HB1 CYS 69 -6.742 -16.189 2.235 551 HG CYS 69 HG CYS 69 -8.334 -14.152 1.474 552 H ASP 70 HN ASP 70 -6.819 -20.108 1.965 553 HA ASP 70 HA ASP 70 -9.643 -20.802 1.791 554 HB2 ASP 70 HB2 ASP 70 -7.645 -21.954 0.200 555 HB3 ASP 70 HB1 ASP 70 -7.954 -23.152 1.457 556 H PHE 71 HN PHE 71 -10.334 -22.574 3.281 557 HA PHE 71 HA PHE 71 -8.932 -22.819 5.734 558 HB2 PHE 71 HB2 PHE 71 -10.545 -21.607 7.118 559 HB3 PHE 71 HB1 PHE 71 -9.834 -20.500 5.960 560 HD1 PHE 71 HD1 PHE 71 -11.218 -19.701 4.028 561 HD2 PHE 71 HD2 PHE 71 -12.888 -22.019 7.200 562 HE1 PHE 71 HE1 PHE 71 -13.463 -18.955 3.379 563 HE2 PHE 71 HE2 PHE 71 -15.138 -21.260 6.549 564 HZ PHE 71 HZ PHE 71 -15.424 -19.726 4.643 565 H GLU 72 HN GLU 72 -9.915 -24.449 6.971 566 HA GLU 72 HA GLU 72 -11.067 -26.323 7.418 567 HB2 GLU 72 HB2 GLU 72 -13.023 -24.489 7.004 568 HB3 GLU 72 HB1 GLU 72 -13.405 -25.537 5.665 569 HG2 GLU 72 HG2 GLU 72 -13.465 -27.332 7.760 570 HG3 GLU 72 HG1 GLU 72 -14.004 -25.827 8.534 571 H GLY 73 HN GLY 73 -9.327 -27.206 5.963 572 HA2 GLY 73 HA2 GLY 73 -9.090 -29.343 4.988 573 HA3 GLY 73 HA1 GLY 73 -10.615 -29.131 4.175 574 H ASN 74 HN ASN 74 -9.542 -26.382 3.094 575 HA ASN 74 HA ASN 74 -7.089 -27.462 1.801 576 HB2 ASN 74 HB2 ASN 74 -8.500 -25.044 0.459 577 HB3 ASN 74 HB1 ASN 74 -7.236 -26.096 -0.139 578 HD21 ASN 74 HD21 ASN 74 -7.680 -28.007 -1.067 579 HD22 ASN 74 HD22 ASN 74 -9.286 -28.517 -1.438 580 H LYS 75 HN LYS 75 -5.162 -26.552 2.445 581 HA LYS 75 HA LYS 75 -5.622 -24.475 4.525 582 HB2 LYS 75 HB2 LYS 75 -3.694 -26.695 4.352 583 HB3 LYS 75 HB1 LYS 75 -2.909 -25.172 4.679 584 HG2 LYS 75 HG2 LYS 75 -3.293 -26.177 6.764 585 HG3 LYS 75 HG1 LYS 75 -4.473 -24.884 6.645 586 HD2 LYS 75 HD2 LYS 75 -5.802 -27.178 5.680 587 HD3 LYS 75 HD1 LYS 75 -4.853 -27.744 7.036 588 HE2 LYS 75 HE2 LYS 75 -6.926 -25.535 7.048 589 HE3 LYS 75 HE1 LYS 75 -7.027 -27.129 7.808 590 HZ1 LYS 75 HZ1 LYS 75 -5.102 -24.991 8.533 591 HZ2 LYS 75 HZ2 LYS 75 -5.160 -26.532 9.233 592 HZ3 LYS 75 HZ3 LYS 75 -6.456 -25.467 9.431 593 H LEU 76 HN LEU 76 -5.479 -22.294 3.589 594 HA LEU 76 HA LEU 76 -2.979 -21.579 2.323 595 HB2 LEU 76 HB2 LEU 76 -5.009 -22.640 0.519 596 HB3 LEU 76 HB1 LEU 76 -4.618 -20.975 0.141 597 HG LEU 76 HG LEU 76 -2.319 -22.791 0.580 598 HD11 LEU 76 HD11 LEU 76 -2.498 -23.647 -1.726 599 HD12 LEU 76 HD12 LEU 76 -4.101 -22.920 -1.847 600 HD13 LEU 76 HD13 LEU 76 -3.807 -24.217 -0.690 601 HD21 LEU 76 HD21 LEU 76 -1.395 -21.484 -1.259 602 HD22 LEU 76 HD22 LEU 76 -2.044 -20.410 -0.019 603 HD23 LEU 76 HD23 LEU 76 -2.953 -20.694 -1.503 604 H ARG 77 HN ARG 77 -3.875 -19.832 4.267 605 HA ARG 77 HA ARG 77 -6.000 -18.083 3.251 606 HB2 ARG 77 HB2 ARG 77 -6.491 -18.592 5.435 607 HB3 ARG 77 HB1 ARG 77 -4.811 -18.719 5.906 608 HG2 ARG 77 HG2 ARG 77 -5.759 -16.890 7.111 609 HG3 ARG 77 HG1 ARG 77 -4.669 -16.217 5.904 610 HD2 ARG 77 HD2 ARG 77 -6.743 -14.938 6.157 611 HD3 ARG 77 HD1 ARG 77 -6.541 -15.540 4.530 612 HE ARG 77 HE ARG 77 -8.213 -17.220 5.017 613 HH11 ARG 77 HH12 ARG 77 -8.003 -14.593 7.345 614 HH12 ARG 77 HH11 ARG 77 -9.616 -14.828 7.928 615 HH21 ARG 77 HH21 ARG 77 -10.349 -17.476 5.761 616 HH22 ARG 77 HH22 ARG 77 -10.948 -16.463 7.031 617 H VAL 78 HN VAL 78 -5.105 -16.360 1.835 618 HA VAL 78 HA VAL 78 -2.783 -14.934 2.996 619 HB VAL 78 HB VAL 78 -3.361 -14.509 0.030 620 HG11 VAL 78 HG11 VAL 78 -0.878 -14.441 0.013 621 HG12 VAL 78 HG12 VAL 78 -0.910 -14.645 1.760 622 HG13 VAL 78 HG13 VAL 78 -1.647 -13.220 1.028 623 HG21 VAL 78 HG21 VAL 78 -2.014 -17.020 1.090 624 HG22 VAL 78 HG22 VAL 78 -1.805 -16.386 -0.533 625 HG23 VAL 78 HG23 VAL 78 -3.394 -16.907 -0.004 626 H GLU 79 HN GLU 79 -3.219 -12.663 3.590 627 HA GLU 79 HA GLU 79 -5.760 -11.542 2.644 628 HB2 GLU 79 HB2 GLU 79 -6.636 -12.917 4.273 629 HB3 GLU 79 HB1 GLU 79 -5.220 -12.806 5.290 630 HG2 GLU 79 HG2 GLU 79 -5.980 -10.743 6.271 631 HG3 GLU 79 HG1 GLU 79 -7.297 -10.611 5.082 632 H VAL 80 HN VAL 80 -5.438 -9.294 2.353 633 HA VAL 80 HA VAL 80 -3.437 -8.035 4.027 634 HB VAL 80 HB VAL 80 -4.163 -5.895 2.878 635 HG11 VAL 80 HG11 VAL 80 -3.352 -7.136 0.552 636 HG12 VAL 80 HG12 VAL 80 -2.722 -8.173 1.843 637 HG13 VAL 80 HG13 VAL 80 -2.319 -6.458 1.810 638 HG21 VAL 80 HG21 VAL 80 -5.665 -7.783 1.066 639 HG22 VAL 80 HG22 VAL 80 -5.393 -6.063 0.792 640 HG23 VAL 80 HG23 VAL 80 -6.403 -6.596 2.138 641 HA PRO 81 HA PRO 81 -6.478 -6.418 6.915 642 HB2 PRO 81 HB2 PRO 81 -4.768 -5.868 8.913 643 HB3 PRO 81 HB1 PRO 81 -5.275 -7.531 8.562 644 HG2 PRO 81 HG2 PRO 81 -2.721 -6.163 7.922 645 HG3 PRO 81 HG1 PRO 81 -3.016 -7.847 8.400 646 HD2 PRO 81 HD2 PRO 81 -2.621 -6.942 5.796 647 HD3 PRO 81 HD1 PRO 81 -3.314 -8.507 6.257 648 H PHE 82 HN PHE 82 -4.609 -4.879 4.795 649 HA PHE 82 HA PHE 82 -4.950 -2.293 6.150 650 HB2 PHE 82 HB2 PHE 82 -3.356 -1.296 4.471 651 HB3 PHE 82 HB1 PHE 82 -2.632 -2.382 5.634 652 HD1 PHE 82 HD1 PHE 82 -3.989 -2.438 2.122 653 HD2 PHE 82 HD2 PHE 82 -1.080 -3.858 4.858 654 HE1 PHE 82 HE1 PHE 82 -2.822 -3.551 0.284 655 HE2 PHE 82 HE2 PHE 82 0.089 -4.983 3.054 656 HZ PHE 82 HZ PHE 82 -0.756 -4.827 0.740 657 H ASN 83 HN ASN 83 -5.719 -4.118 3.307 658 HA ASN 83 HA ASN 83 -7.153 -3.857 1.542 659 HB2 ASN 83 HB2 ASN 83 -8.841 -3.362 3.425 660 HB3 ASN 83 HB1 ASN 83 -8.545 -1.655 3.109 661 HD21 ASN 83 HD21 ASN 83 -9.443 -0.707 1.322 662 HD22 ASN 83 HD22 ASN 83 -10.609 -1.503 0.322 663 H ALA 84 HN ALA 84 -5.122 -2.930 0.378 664 HA ALA 84 HA ALA 84 -4.043 -1.488 -0.973 665 HB1 ALA 84 HB1 ALA 84 -5.377 0.073 -2.329 666 HB2 ALA 84 HB2 ALA 84 -6.743 -0.122 -1.230 667 HB3 ALA 84 HB3 ALA 84 -6.176 -1.487 -2.183 668 H ARG 85 HN ARG 85 -4.383 1.488 -1.243 669 HA ARG 85 HA ARG 85 -3.548 2.227 1.557 670 HB2 ARG 85 HB2 ARG 85 -1.674 2.311 -0.147 671 HB3 ARG 85 HB1 ARG 85 -2.506 3.665 -0.902 672 HG2 ARG 85 HG2 ARG 85 -2.467 4.675 1.503 673 HG3 ARG 85 HG1 ARG 85 -1.154 3.536 1.770 674 HD2 ARG 85 HD2 ARG 85 -1.264 5.600 -0.421 675 HD3 ARG 85 HD1 ARG 85 -0.396 5.790 1.095 676 HE ARG 85 HE ARG 85 0.574 3.480 -0.106 677 HH11 ARG 85 HH11 ARG 85 0.451 6.918 -0.844 678 HH12 ARG 85 HH12 ARG 85 1.916 6.906 -1.775 679 HH21 ARG 85 HH22 ARG 85 2.567 3.497 -1.307 680 HH22 ARG 85 HH21 ARG 85 3.110 4.970 -2.038 681 H GLU 86 HN GLU 86 -5.895 2.928 2.078 682 HA GLU 86 HA GLU 86 -7.106 5.111 0.913 683 HB2 GLU 86 HB2 GLU 86 -7.423 2.632 -0.798 684 HB3 GLU 86 HB1 GLU 86 -8.787 3.717 -0.615 685 HG2 GLU 86 HG2 GLU 86 -7.458 5.551 -1.613 686 HG3 GLU 86 HG1 GLU 86 -6.084 4.472 -1.779 Start of MODEL 5 1 H1 GLY -2 HT1 GLY -2 -9.810 -0.340 -4.214 2 H2 GLY -2 HT2 GLY -2 -10.946 0.893 -4.442 3 H3 GLY -2 HT3 GLY -2 -10.045 0.829 -3.013 4 HA2 GLY -2 HA1 GLY -2 -8.007 1.266 -4.235 5 HA3 GLY -2 HA2 GLY -2 -8.942 1.326 -5.724 6 H SER -1 HN SER -1 -7.287 3.325 -4.072 7 HA SER -1 HA SER -1 -9.272 5.484 -4.152 8 HB2 SER -1 HB2 SER -1 -7.258 5.937 -2.090 9 HB3 SER -1 HB1 SER -1 -9.014 6.011 -1.975 10 HG SER -1 HG SER -1 -7.408 4.165 -0.992 11 H HIS 0 HN HIS 0 -7.687 7.660 -3.635 12 HA HIS 0 HA HIS 0 -5.438 7.617 -5.441 13 HB2 HIS 0 HB2 HIS 0 -7.306 7.645 -7.018 14 HB3 HIS 0 HB1 HIS 0 -8.008 9.033 -6.215 15 HD1 HIS 0 HD1 HIS 0 -7.934 10.722 -8.026 16 HD2 HIS 0 HD2 HIS 0 -4.269 8.821 -7.559 17 HE1 HIS 0 HE1 HIS 0 -6.328 11.993 -9.476 18 HE2 HIS 0 HE2 HIS 0 -4.077 10.971 -8.984 19 H MET 1 HN MET 1 -4.605 8.295 -3.320 20 HA MET 1 HA MET 1 -4.113 11.150 -3.412 21 HB2 MET 1 HB2 MET 1 -5.552 9.864 -1.145 22 HB3 MET 1 HB1 MET 1 -4.254 10.968 -0.720 23 HG2 MET 1 HG2 MET 1 -5.329 12.754 -1.924 24 HG3 MET 1 HG1 MET 1 -6.592 11.658 -2.485 25 HE1 MET 1 HE1 MET 1 -7.306 14.437 -1.014 26 HE2 MET 1 HE2 MET 1 -8.642 13.832 -0.028 27 HE3 MET 1 HE3 MET 1 -8.432 13.254 -1.683 28 H VAL 2 HN VAL 2 -1.966 11.570 -2.864 29 HA VAL 2 HA VAL 2 -0.500 9.491 -1.359 30 HB VAL 2 HB VAL 2 0.883 11.092 -3.548 31 HG11 VAL 2 HG11 VAL 2 2.552 9.269 -3.441 32 HG12 VAL 2 HG12 VAL 2 1.624 8.516 -2.143 33 HG13 VAL 2 HG13 VAL 2 2.362 10.097 -1.894 34 HG21 VAL 2 HG21 VAL 2 -0.860 9.759 -4.637 35 HG22 VAL 2 HG22 VAL 2 -0.239 8.311 -3.843 36 HG23 VAL 2 HG23 VAL 2 0.756 9.166 -5.023 37 H ILE 3 HN ILE 3 -1.675 11.523 -0.029 38 HA ILE 3 HA ILE 3 0.621 13.223 0.718 39 HB ILE 3 HB ILE 3 -2.244 14.224 0.977 40 HG12 ILE 3 HG12 ILE 3 -0.276 14.968 -1.212 41 HG13 ILE 3 HG11 ILE 3 -1.636 13.870 -1.443 42 HG21 ILE 3 HG21 ILE 3 -0.674 15.358 2.482 43 HG22 ILE 3 HG22 ILE 3 -1.153 16.462 1.201 44 HG23 ILE 3 HG23 ILE 3 0.426 15.687 1.141 45 HD11 ILE 3 HD11 ILE 3 -3.179 15.702 -0.939 46 HD12 ILE 3 HD12 ILE 3 -2.118 16.095 -2.291 47 HD13 ILE 3 HD13 ILE 3 -1.812 16.788 -0.699 48 H ARG 4 HN ARG 4 0.715 11.005 1.991 49 HA ARG 4 HA ARG 4 0.400 11.825 4.697 50 HB2 ARG 4 HB2 ARG 4 -1.910 10.693 3.920 51 HB3 ARG 4 HB1 ARG 4 -1.025 9.220 4.298 52 HG2 ARG 4 HG2 ARG 4 -0.490 10.374 6.552 53 HG3 ARG 4 HG1 ARG 4 -1.796 11.475 6.129 54 HD2 ARG 4 HD2 ARG 4 -3.415 9.829 6.305 55 HD3 ARG 4 HD1 ARG 4 -2.257 8.521 6.040 56 HE ARG 4 HE ARG 4 -1.594 9.894 8.402 57 HH11 ARG 4 HH12 ARG 4 -4.076 7.682 7.225 58 HH12 ARG 4 HH11 ARG 4 -4.387 7.014 8.792 59 HH21 ARG 4 HH22 ARG 4 -1.970 8.973 10.421 60 HH22 ARG 4 HH21 ARG 4 -3.183 7.753 10.613 61 H GLU 5 HN GLU 5 0.563 9.050 5.757 62 HA GLU 5 HA GLU 5 2.914 7.828 4.769 63 HB2 GLU 5 HB2 GLU 5 4.104 9.810 5.504 64 HB3 GLU 5 HB1 GLU 5 3.266 9.863 7.042 65 HG2 GLU 5 HG2 GLU 5 4.447 7.488 7.379 66 HG3 GLU 5 HG1 GLU 5 5.600 8.158 6.214 67 H SER 6 HN SER 6 3.057 5.730 5.803 68 HA SER 6 HA SER 6 2.126 5.211 8.421 69 HB2 SER 6 HB2 SER 6 -0.091 5.551 7.081 70 HB3 SER 6 HB1 SER 6 0.265 3.983 6.360 71 HG SER 6 HG SER 6 0.169 4.401 9.158 72 H VAL 7 HN VAL 7 1.479 2.399 8.127 73 HA VAL 7 HA VAL 7 3.503 1.278 6.338 74 HB VAL 7 HB VAL 7 3.486 -0.737 8.201 75 HG11 VAL 7 HG11 VAL 7 5.417 -0.044 7.008 76 HG12 VAL 7 HG12 VAL 7 5.803 -0.065 8.730 77 HG13 VAL 7 HG13 VAL 7 5.504 1.468 7.914 78 HG21 VAL 7 HG21 VAL 7 3.994 -0.030 10.398 79 HG22 VAL 7 HG22 VAL 7 2.441 0.689 9.986 80 HG23 VAL 7 HG23 VAL 7 3.915 1.669 9.973 81 H SER 8 HN SER 8 2.695 -0.117 5.062 82 HA SER 8 HA SER 8 0.019 -1.136 5.456 83 HB2 SER 8 HB2 SER 8 0.069 -1.432 3.183 84 HB3 SER 8 HB1 SER 8 1.423 -0.341 3.283 85 HG SER 8 HG SER 8 2.767 -1.895 2.799 86 H ARG 9 HN ARG 9 -0.443 -3.267 6.226 87 HA ARG 9 HA ARG 9 1.975 -4.901 6.721 88 HB2 ARG 9 HB2 ARG 9 -0.428 -4.915 8.601 89 HB3 ARG 9 HB1 ARG 9 1.051 -5.837 8.782 90 HG2 ARG 9 HG2 ARG 9 1.611 -4.167 10.188 91 HG3 ARG 9 HG1 ARG 9 2.112 -3.371 8.700 92 HD2 ARG 9 HD2 ARG 9 0.821 -1.846 10.067 93 HD3 ARG 9 HD1 ARG 9 -0.067 -2.224 8.593 94 HE ARG 9 HE ARG 9 -0.675 -3.766 11.002 95 HH11 ARG 9 HH11 ARG 9 -1.640 -1.203 8.792 96 HH12 ARG 9 HH12 ARG 9 -3.285 -1.189 9.331 97 HH21 ARG 9 HH21 ARG 9 -2.833 -3.748 11.702 98 HH22 ARG 9 HH22 ARG 9 -3.970 -2.643 10.994 99 H ILE 10 HN ILE 10 1.617 -7.376 6.616 100 HA ILE 10 HA ILE 10 -0.982 -8.051 5.357 101 HB ILE 10 HB ILE 10 1.651 -9.012 4.141 102 HG12 ILE 10 HG12 ILE 10 0.706 -7.845 2.001 103 HG13 ILE 10 HG11 ILE 10 -0.135 -6.830 3.119 104 HG21 ILE 10 HG21 ILE 10 0.304 -9.979 2.339 105 HG22 ILE 10 HG22 ILE 10 -1.166 -9.453 3.147 106 HG23 ILE 10 HG23 ILE 10 -0.120 -10.657 3.907 107 HD11 ILE 10 HD11 ILE 10 2.062 -5.995 2.205 108 HD12 ILE 10 HD12 ILE 10 2.832 -7.205 3.207 109 HD13 ILE 10 HD13 ILE 10 1.881 -5.936 3.953 110 H TYR 11 HN TYR 11 -1.788 -9.919 5.987 111 HA TYR 11 HA TYR 11 -0.192 -11.619 7.825 112 HB2 TYR 11 HB2 TYR 11 -2.507 -10.461 8.353 113 HB3 TYR 11 HB1 TYR 11 -3.174 -11.831 7.462 114 HD1 TYR 11 HD1 TYR 11 -2.914 -14.142 8.392 115 HD2 TYR 11 HD2 TYR 11 -1.596 -10.698 10.519 116 HE1 TYR 11 HE1 TYR 11 -2.815 -15.454 10.470 117 HE2 TYR 11 HE2 TYR 11 -1.487 -12.011 12.591 118 HH TYR 11 HH TYR 11 -2.439 -14.072 13.534 119 H VAL 12 HN VAL 12 0.663 -13.636 6.773 120 HA VAL 12 HA VAL 12 -1.229 -14.831 4.856 121 HB VAL 12 HB VAL 12 0.480 -13.959 3.319 122 HG11 VAL 12 HG11 VAL 12 2.558 -15.016 5.220 123 HG12 VAL 12 HG12 VAL 12 2.194 -13.332 4.833 124 HG13 VAL 12 HG13 VAL 12 2.894 -14.389 3.608 125 HG21 VAL 12 HG21 VAL 12 1.729 -15.897 2.409 126 HG22 VAL 12 HG22 VAL 12 0.029 -16.257 2.649 127 HG23 VAL 12 HG23 VAL 12 1.233 -16.878 3.785 128 H GLY 13 HN GLY 13 -2.067 -16.541 6.013 129 HA2 GLY 13 HA2 GLY 13 -0.085 -18.222 7.498 130 HA3 GLY 13 HA1 GLY 13 -1.708 -17.920 8.071 131 H ASN 14 HN ASN 14 -1.213 -20.477 8.086 132 HA ASN 14 HA ASN 14 -1.632 -22.564 7.214 133 HB2 ASN 14 HB2 ASN 14 -3.883 -21.091 5.831 134 HB3 ASN 14 HB1 ASN 14 -3.821 -22.815 6.162 135 HD21 ASN 14 HD21 ASN 14 -3.878 -23.491 8.383 136 HD22 ASN 14 HD22 ASN 14 -4.628 -22.492 9.579 137 H LEU 15 HN LEU 15 0.181 -20.911 5.430 138 HA LEU 15 HA LEU 15 -0.360 -21.700 2.757 139 HB2 LEU 15 HB2 LEU 15 1.770 -20.609 2.199 140 HB3 LEU 15 HB1 LEU 15 0.744 -19.561 3.141 141 HG LEU 15 HG LEU 15 3.015 -21.082 4.430 142 HD11 LEU 15 HD11 LEU 15 4.188 -19.914 2.764 143 HD12 LEU 15 HD12 LEU 15 4.285 -18.894 4.206 144 HD13 LEU 15 HD13 LEU 15 3.154 -18.489 2.913 145 HD21 LEU 15 HD21 LEU 15 1.590 -20.090 6.034 146 HD22 LEU 15 HD22 LEU 15 1.507 -18.583 5.126 147 HD23 LEU 15 HD23 LEU 15 3.015 -19.060 5.911 148 HA PRO 16 HA PRO 16 2.037 -25.490 3.216 149 HB2 PRO 16 HB2 PRO 16 1.185 -26.675 0.919 150 HB3 PRO 16 HB1 PRO 16 0.245 -26.689 2.417 151 HG2 PRO 16 HG2 PRO 16 -0.209 -25.202 -0.069 152 HG3 PRO 16 HG1 PRO 16 -1.356 -25.624 1.211 153 HD2 PRO 16 HD2 PRO 16 -0.101 -23.105 0.774 154 HD3 PRO 16 HD1 PRO 16 -1.164 -23.569 2.118 155 H SER 17 HN SER 17 4.278 -25.318 2.719 156 HA SER 17 HA SER 17 6.236 -24.767 1.681 157 HB2 SER 17 HB2 SER 17 4.881 -26.429 -0.466 158 HB3 SER 17 HB1 SER 17 6.612 -26.122 -0.363 159 HG SER 17 HG SER 17 6.759 -27.649 1.082 160 H HIS 18 HN HIS 18 4.803 -22.451 1.427 161 HA HIS 18 HA HIS 18 4.456 -21.902 -1.422 162 HB2 HIS 18 HB2 HIS 18 2.652 -21.546 0.431 163 HB3 HIS 18 HB1 HIS 18 3.536 -20.077 0.742 164 HD1 HIS 18 HD1 HIS 18 0.676 -19.746 -0.042 165 HD2 HIS 18 HD2 HIS 18 3.725 -19.946 -2.853 166 HE1 HIS 18 HE1 HIS 18 -0.230 -18.627 -2.098 167 HE2 HIS 18 HE2 HIS 18 1.519 -19.051 -3.854 168 H VAL 19 HN VAL 19 5.091 -19.294 0.916 169 HA VAL 19 HA VAL 19 7.437 -18.677 -0.739 170 HB VAL 19 HB VAL 19 7.115 -16.277 -0.135 171 HG11 VAL 19 HG11 VAL 19 4.553 -17.561 -1.075 172 HG12 VAL 19 HG12 VAL 19 5.890 -17.017 -2.091 173 HG13 VAL 19 HG13 VAL 19 4.936 -15.850 -1.181 174 HG21 VAL 19 HG21 VAL 19 5.154 -15.496 1.135 175 HG22 VAL 19 HG22 VAL 19 6.196 -16.489 2.153 176 HG23 VAL 19 HG23 VAL 19 4.711 -17.164 1.482 177 H SER 20 HN SER 20 9.546 -19.353 0.285 178 HA SER 20 HA SER 20 9.757 -19.427 3.184 179 HB2 SER 20 HB2 SER 20 12.374 -19.534 1.821 180 HB3 SER 20 HB1 SER 20 11.496 -20.813 2.671 181 HG SER 20 HG SER 20 11.432 -20.108 -0.056 182 H SER 21 HN SER 21 11.287 -18.109 4.517 183 HA SER 21 HA SER 21 10.776 -15.472 4.505 184 HB2 SER 21 HB2 SER 21 11.781 -16.837 6.311 185 HB3 SER 21 HB1 SER 21 13.336 -16.647 5.508 186 HG SER 21 HG SER 21 12.419 -15.060 7.274 187 H ARG 22 HN ARG 22 13.900 -16.770 3.262 188 HA ARG 22 HA ARG 22 14.891 -14.335 2.402 189 HB2 ARG 22 HB2 ARG 22 16.628 -15.688 2.348 190 HB3 ARG 22 HB1 ARG 22 15.712 -17.123 2.022 191 HG2 ARG 22 HG2 ARG 22 16.483 -15.174 -0.146 192 HG3 ARG 22 HG1 ARG 22 17.582 -16.418 0.432 193 HD2 ARG 22 HD2 ARG 22 15.257 -17.829 -0.080 194 HD3 ARG 22 HD1 ARG 22 15.296 -16.628 -1.372 195 HE ARG 22 HE ARG 22 16.940 -18.920 -1.138 196 HH11 ARG 22 HH12 ARG 22 17.105 -15.573 -2.260 197 HH12 ARG 22 HH11 ARG 22 18.404 -15.877 -3.364 198 HH21 ARG 22 HH22 ARG 22 18.696 -19.287 -2.523 199 HH22 ARG 22 HH21 ARG 22 19.317 -18.006 -3.511 200 H ASP 23 HN ASP 23 12.872 -16.507 0.319 201 HA ASP 23 HA ASP 23 12.817 -14.793 -1.906 202 HB2 ASP 23 HB2 ASP 23 10.474 -16.599 -1.342 203 HB3 ASP 23 HB1 ASP 23 11.158 -16.158 -2.889 204 H VAL 24 HN VAL 24 10.752 -14.730 1.174 205 HA VAL 24 HA VAL 24 9.110 -12.709 0.080 206 HB VAL 24 HB VAL 24 9.634 -12.529 2.992 207 HG11 VAL 24 HG11 VAL 24 8.059 -11.078 1.976 208 HG12 VAL 24 HG12 VAL 24 7.349 -12.114 3.208 209 HG13 VAL 24 HG13 VAL 24 7.095 -12.482 1.512 210 HG21 VAL 24 HG21 VAL 24 9.444 -14.871 3.135 211 HG22 VAL 24 HG22 VAL 24 8.216 -14.925 1.884 212 HG23 VAL 24 HG23 VAL 24 7.835 -14.242 3.464 213 H GLU 25 HN GLU 25 12.295 -12.379 1.901 214 HA GLU 25 HA GLU 25 12.099 -9.621 1.756 215 HB2 GLU 25 HB2 GLU 25 13.986 -11.171 2.905 216 HB3 GLU 25 HB1 GLU 25 14.844 -10.707 1.449 217 HG2 GLU 25 HG2 GLU 25 14.260 -8.287 2.069 218 HG3 GLU 25 HG1 GLU 25 13.824 -8.953 3.642 219 H ASN 26 HN ASN 26 13.807 -11.749 -0.739 220 HA ASN 26 HA ASN 26 14.325 -9.420 -2.321 221 HB2 ASN 26 HB2 ASN 26 15.725 -11.556 -2.517 222 HB3 ASN 26 HB1 ASN 26 14.372 -12.267 -3.423 223 HD21 ASN 26 HD21 ASN 26 17.048 -11.946 -4.232 224 HD22 ASN 26 HD22 ASN 26 17.051 -10.952 -5.643 225 H GLU 27 HN GLU 27 11.939 -12.168 -3.150 226 HA GLU 27 HA GLU 27 10.927 -10.581 -5.224 227 HB2 GLU 27 HB2 GLU 27 10.939 -13.119 -5.163 228 HB3 GLU 27 HB1 GLU 27 9.571 -13.037 -4.076 229 HG2 GLU 27 HG2 GLU 27 8.122 -12.255 -5.781 230 HG3 GLU 27 HG1 GLU 27 9.463 -11.823 -6.841 231 H PHE 28 HN PHE 28 9.776 -10.773 -1.737 232 HA PHE 28 HA PHE 28 7.471 -9.292 -2.651 233 HB2 PHE 28 HB2 PHE 28 8.230 -10.442 -0.075 234 HB3 PHE 28 HB1 PHE 28 7.355 -8.922 0.029 235 HD1 PHE 28 HD1 PHE 28 5.033 -8.780 -0.666 236 HD2 PHE 28 HD2 PHE 28 7.119 -12.512 -0.820 237 HE1 PHE 28 HE1 PHE 28 2.873 -9.960 -0.758 238 HE2 PHE 28 HE2 PHE 28 4.940 -13.676 -1.024 239 HZ PHE 28 HZ PHE 28 2.843 -12.418 -0.949 240 H ARG 29 HN ARG 29 10.559 -8.302 -0.902 241 HA ARG 29 HA ARG 29 10.063 -5.633 -1.095 242 HB2 ARG 29 HB2 ARG 29 12.234 -5.133 -0.868 243 HB3 ARG 29 HB1 ARG 29 12.407 -6.856 -0.585 244 HG2 ARG 29 HG2 ARG 29 13.074 -7.130 -2.969 245 HG3 ARG 29 HG1 ARG 29 12.867 -5.411 -3.211 246 HD2 ARG 29 HD2 ARG 29 14.615 -5.064 -1.453 247 HD3 ARG 29 HD1 ARG 29 14.919 -6.807 -1.528 248 HE ARG 29 HE ARG 29 15.150 -6.236 -4.069 249 HH11 ARG 29 HH12 ARG 29 16.325 -4.413 -1.328 250 HH12 ARG 29 HH11 ARG 29 17.671 -3.732 -2.184 251 HH21 ARG 29 HH22 ARG 29 16.879 -5.338 -5.226 252 HH22 ARG 29 HH21 ARG 29 17.983 -4.269 -4.425 253 H LYS 30 HN LYS 30 10.790 -7.535 -4.261 254 HA LYS 30 HA LYS 30 10.546 -5.207 -5.807 255 HB2 LYS 30 HB2 LYS 30 10.716 -6.726 -7.482 256 HB3 LYS 30 HB1 LYS 30 10.201 -8.015 -6.421 257 HG2 LYS 30 HG2 LYS 30 8.931 -7.979 -8.490 258 HG3 LYS 30 HG1 LYS 30 7.846 -7.690 -7.151 259 HD2 LYS 30 HD2 LYS 30 8.411 -5.133 -7.898 260 HD3 LYS 30 HD1 LYS 30 8.594 -5.949 -9.441 261 HE2 LYS 30 HE2 LYS 30 6.126 -6.214 -7.680 262 HE3 LYS 30 HE1 LYS 30 6.284 -5.046 -8.996 263 HZ1 LYS 30 HZ1 LYS 30 6.566 -6.902 -10.534 264 HZ2 LYS 30 HZ2 LYS 30 5.119 -7.007 -9.685 265 HZ3 LYS 30 HZ3 LYS 30 6.422 -8.009 -9.257 266 H TYR 31 HN TYR 31 7.837 -6.913 -4.350 267 HA TYR 31 HA TYR 31 5.979 -5.306 -5.821 268 HB2 TYR 31 HB2 TYR 31 5.520 -7.301 -3.593 269 HB3 TYR 31 HB1 TYR 31 4.214 -6.480 -4.426 270 HD1 TYR 31 HD1 TYR 31 3.757 -7.069 -6.904 271 HD2 TYR 31 HD2 TYR 31 6.535 -9.298 -4.568 272 HE1 TYR 31 HE1 TYR 31 3.685 -8.947 -8.542 273 HE2 TYR 31 HE2 TYR 31 6.471 -11.104 -6.194 274 HH TYR 31 HH TYR 31 4.737 -11.907 -7.988 275 H GLY 32 HN GLY 32 7.020 -5.257 -2.331 276 HA2 GLY 32 HA2 GLY 32 6.470 -2.403 -2.493 277 HA3 GLY 32 HA1 GLY 32 5.698 -3.284 -1.176 278 H ASN 33 HN ASN 33 7.617 -1.141 -0.786 279 HA ASN 33 HA ASN 33 10.207 -2.336 -0.447 280 HB2 ASN 33 HB2 ASN 33 9.131 0.380 -0.275 281 HB3 ASN 33 HB1 ASN 33 10.334 0.027 0.951 282 HD21 ASN 33 HD21 ASN 33 10.566 1.859 -1.195 283 HD22 ASN 33 HD22 ASN 33 11.886 1.320 -2.186 284 H ILE 34 HN ILE 34 10.368 -3.825 1.155 285 HA ILE 34 HA ILE 34 8.815 -3.665 3.514 286 HB ILE 34 HB ILE 34 9.026 -5.855 3.265 287 HG12 ILE 34 HG12 ILE 34 10.430 -5.249 5.412 288 HG13 ILE 34 HG11 ILE 34 10.249 -6.904 4.872 289 HG21 ILE 34 HG21 ILE 34 10.952 -7.029 2.189 290 HG22 ILE 34 HG22 ILE 34 11.666 -5.437 1.915 291 HG23 ILE 34 HG23 ILE 34 10.108 -5.841 1.204 292 HD11 ILE 34 HD11 ILE 34 12.530 -6.572 3.744 293 HD12 ILE 34 HD12 ILE 34 12.476 -6.723 5.482 294 HD13 ILE 34 HD13 ILE 34 12.663 -5.135 4.750 295 H LEU 35 HN LEU 35 9.109 -3.048 5.535 296 HA LEU 35 HA LEU 35 11.719 -1.964 6.246 297 HB2 LEU 35 HB2 LEU 35 8.982 -0.936 6.937 298 HB3 LEU 35 HB1 LEU 35 10.295 -0.704 8.069 299 HG LEU 35 HG LEU 35 11.592 0.485 6.315 300 HD11 LEU 35 HD11 LEU 35 9.085 0.263 4.657 301 HD12 LEU 35 HD12 LEU 35 10.663 -0.430 4.281 302 HD13 LEU 35 HD13 LEU 35 10.451 1.319 4.311 303 HD21 LEU 35 HD21 LEU 35 10.267 1.732 7.903 304 HD22 LEU 35 HD22 LEU 35 8.863 1.617 6.840 305 HD23 LEU 35 HD23 LEU 35 10.284 2.522 6.326 306 H LYS 36 HN LYS 36 9.419 -4.374 6.935 307 HA LYS 36 HA LYS 36 10.794 -5.347 9.323 308 HB2 LYS 36 HB2 LYS 36 8.969 -3.560 9.918 309 HB3 LYS 36 HB1 LYS 36 7.837 -4.847 9.572 310 HG2 LYS 36 HG2 LYS 36 10.021 -5.216 11.594 311 HG3 LYS 36 HG1 LYS 36 8.514 -4.410 12.007 312 HD2 LYS 36 HD2 LYS 36 7.304 -6.460 11.179 313 HD3 LYS 36 HD1 LYS 36 8.879 -7.241 11.047 314 HE2 LYS 36 HE2 LYS 36 7.793 -6.064 13.602 315 HE3 LYS 36 HE1 LYS 36 7.621 -7.758 13.155 316 HZ1 LYS 36 HZ1 LYS 36 10.212 -6.347 13.478 317 HZ2 LYS 36 HZ2 LYS 36 9.996 -7.997 13.158 318 HZ3 LYS 36 HZ3 LYS 36 9.502 -7.353 14.640 319 H CYS 37 HN CYS 37 10.713 -7.694 9.212 320 HA CYS 37 HA CYS 37 8.390 -8.994 7.930 321 HB2 CYS 37 HB2 CYS 37 11.279 -9.430 7.167 322 HB3 CYS 37 HB1 CYS 37 10.144 -10.710 6.973 323 HG CYS 37 HG CYS 37 9.806 -10.034 4.517 324 H ASP 38 HN ASP 38 7.606 -10.032 9.685 325 HA ASP 38 HA ASP 38 9.728 -11.603 11.156 326 HB2 ASP 38 HB2 ASP 38 8.420 -9.653 12.315 327 HB3 ASP 38 HB1 ASP 38 7.166 -10.899 12.536 328 H VAL 39 HN VAL 39 9.461 -13.805 11.203 329 HA VAL 39 HA VAL 39 6.876 -14.823 10.384 330 HB VAL 39 HB VAL 39 8.064 -15.353 8.376 331 HG11 VAL 39 HG11 VAL 39 10.516 -15.841 10.036 332 HG12 VAL 39 HG12 VAL 39 10.229 -14.583 8.820 333 HG13 VAL 39 HG13 VAL 39 10.387 -16.268 8.334 334 HG21 VAL 39 HG21 VAL 39 7.304 -17.649 9.304 335 HG22 VAL 39 HG22 VAL 39 8.978 -17.867 9.808 336 HG23 VAL 39 HG23 VAL 39 8.595 -17.656 8.113 337 H LYS 40 HN LYS 40 5.869 -15.912 11.815 338 HA LYS 40 HA LYS 40 7.380 -17.103 14.073 339 HB2 LYS 40 HB2 LYS 40 4.873 -15.403 13.921 340 HB3 LYS 40 HB1 LYS 40 5.337 -16.273 15.395 341 HG2 LYS 40 HG2 LYS 40 7.648 -15.049 14.895 342 HG3 LYS 40 HG1 LYS 40 6.569 -13.918 14.087 343 HD2 LYS 40 HD2 LYS 40 5.624 -14.738 16.731 344 HD3 LYS 40 HD1 LYS 40 7.161 -13.871 16.771 345 HE2 LYS 40 HE2 LYS 40 6.123 -12.031 15.514 346 HE3 LYS 40 HE1 LYS 40 4.593 -12.916 15.513 347 HZ1 LYS 40 HZ1 LYS 40 4.580 -12.832 17.925 348 HZ2 LYS 40 HZ2 LYS 40 4.679 -11.270 17.288 349 HZ3 LYS 40 HZ3 LYS 40 6.054 -12.006 17.931 350 H LYS 41 HN LYS 41 6.294 -19.186 15.091 351 HA LYS 41 HA LYS 41 4.381 -20.226 13.136 352 HB2 LYS 41 HB2 LYS 41 5.534 -22.234 12.604 353 HB3 LYS 41 HB1 LYS 41 6.891 -21.161 12.774 354 HG2 LYS 41 HG2 LYS 41 5.954 -23.244 14.760 355 HG3 LYS 41 HG1 LYS 41 7.411 -23.253 13.775 356 HD2 LYS 41 HD2 LYS 41 6.785 -21.298 15.982 357 HD3 LYS 41 HD1 LYS 41 7.883 -22.676 16.115 358 HE2 LYS 41 HE2 LYS 41 9.109 -21.518 14.117 359 HE3 LYS 41 HE1 LYS 41 8.208 -20.088 14.647 360 HZ1 LYS 41 HZ1 LYS 41 10.412 -20.199 15.647 361 HZ2 LYS 41 HZ2 LYS 41 10.047 -21.693 16.350 362 HZ3 LYS 41 HZ3 LYS 41 9.206 -20.305 16.828 363 H THR 42 HN THR 42 2.625 -21.680 14.158 364 HA THR 42 HA THR 42 2.870 -21.571 17.046 365 HB THR 42 HB THR 42 0.756 -20.712 15.915 366 HG1 THR 42 HG1 THR 42 0.073 -20.950 17.872 367 HG21 THR 42 HG21 THR 42 0.464 -23.587 15.229 368 HG22 THR 42 HG22 THR 42 -0.077 -22.177 14.330 369 HG23 THR 42 HG23 THR 42 -0.981 -22.722 15.733 370 H VAL 43 HN VAL 43 1.980 -23.518 18.307 371 HA VAL 43 HA VAL 43 3.439 -25.829 17.665 372 HB VAL 43 HB VAL 43 2.421 -26.867 19.661 373 HG11 VAL 43 HG11 VAL 43 3.459 -24.054 19.914 374 HG12 VAL 43 HG12 VAL 43 4.395 -25.550 19.901 375 HG13 VAL 43 HG13 VAL 43 3.326 -25.187 21.257 376 HG21 VAL 43 HG21 VAL 43 0.163 -25.919 19.663 377 HG22 VAL 43 HG22 VAL 43 0.818 -24.300 19.915 378 HG23 VAL 43 HG23 VAL 43 0.997 -25.528 21.162 379 H SER 44 HN SER 44 0.681 -25.145 15.966 380 HA SER 44 HA SER 44 -0.571 -27.777 16.252 381 HB2 SER 44 HB2 SER 44 -1.999 -25.649 16.579 382 HB3 SER 44 HB1 SER 44 -1.717 -25.303 14.868 383 HG SER 44 HG SER 44 -2.600 -27.590 14.632 384 H GLY 45 HN GLY 45 1.881 -26.627 14.604 385 HA2 GLY 45 HA2 GLY 45 2.868 -27.276 12.609 386 HA3 GLY 45 HA1 GLY 45 1.401 -28.136 12.194 387 H ALA 46 HN ALA 46 0.201 -25.161 12.759 388 HA ALA 46 HA ALA 46 0.347 -24.373 9.985 389 HB1 ALA 46 HB1 ALA 46 -1.223 -23.173 12.300 390 HB2 ALA 46 HB2 ALA 46 -1.829 -24.255 11.053 391 HB3 ALA 46 HB3 ALA 46 -1.324 -22.629 10.636 392 H ALA 47 HN ALA 47 1.590 -22.628 9.179 393 HA ALA 47 HA ALA 47 3.297 -21.253 11.141 394 HB1 ALA 47 HB1 ALA 47 5.201 -21.327 9.726 395 HB2 ALA 47 HB2 ALA 47 4.253 -21.802 8.331 396 HB3 ALA 47 HB3 ALA 47 4.519 -22.949 9.649 397 H PHE 48 HN PHE 48 3.648 -18.879 10.849 398 HA PHE 48 HA PHE 48 1.850 -17.829 8.715 399 HB2 PHE 48 HB2 PHE 48 2.462 -16.507 11.392 400 HB3 PHE 48 HB1 PHE 48 1.133 -16.145 10.292 401 HD1 PHE 48 HD1 PHE 48 -0.692 -17.802 10.040 402 HD2 PHE 48 HD2 PHE 48 2.275 -18.093 13.087 403 HE1 PHE 48 HE1 PHE 48 -2.139 -19.303 11.304 404 HE2 PHE 48 HE2 PHE 48 0.837 -19.520 14.346 405 HZ PHE 48 HZ PHE 48 -1.393 -20.184 13.498 406 H ALA 49 HN ALA 49 2.531 -15.855 7.693 407 HA ALA 49 HA ALA 49 5.001 -14.741 8.687 408 HB1 ALA 49 HB1 ALA 49 5.338 -16.104 6.497 409 HB2 ALA 49 HB2 ALA 49 6.153 -14.562 6.696 410 HB3 ALA 49 HB3 ALA 49 4.681 -14.671 5.724 411 H PHE 50 HN PHE 50 5.442 -12.511 8.193 412 HA PHE 50 HA PHE 50 2.959 -11.029 8.351 413 HB2 PHE 50 HB2 PHE 50 3.663 -11.812 10.695 414 HB3 PHE 50 HB1 PHE 50 5.116 -10.818 10.499 415 HD1 PHE 50 HD1 PHE 50 1.403 -10.668 10.593 416 HD2 PHE 50 HD2 PHE 50 5.051 -8.500 10.959 417 HE1 PHE 50 HE1 PHE 50 0.155 -8.713 11.415 418 HE2 PHE 50 HE2 PHE 50 3.805 -6.543 11.779 419 HZ PHE 50 HZ PHE 50 1.357 -6.648 12.010 420 H ILE 51 HN ILE 51 3.258 -9.083 7.182 421 HA ILE 51 HA ILE 51 6.075 -8.592 6.363 422 HB ILE 51 HB ILE 51 4.548 -8.366 3.967 423 HG12 ILE 51 HG12 ILE 51 4.294 -11.216 5.012 424 HG13 ILE 51 HG11 ILE 51 2.957 -10.063 5.176 425 HG21 ILE 51 HG21 ILE 51 6.901 -8.834 4.197 426 HG22 ILE 51 HG22 ILE 51 6.106 -10.054 3.202 427 HG23 ILE 51 HG23 ILE 51 6.531 -10.421 4.875 428 HD11 ILE 51 HD11 ILE 51 4.145 -11.168 2.633 429 HD12 ILE 51 HD12 ILE 51 2.961 -9.859 2.673 430 HD13 ILE 51 HD13 ILE 51 2.534 -11.450 3.279 431 H GLU 52 HN GLU 52 6.439 -6.512 6.757 432 HA GLU 52 HA GLU 52 4.198 -4.642 6.432 433 HB2 GLU 52 HB2 GLU 52 6.645 -4.275 8.134 434 HB3 GLU 52 HB1 GLU 52 5.385 -3.082 7.936 435 HG2 GLU 52 HG2 GLU 52 3.775 -4.736 8.891 436 HG3 GLU 52 HG1 GLU 52 5.140 -5.787 9.246 437 H PHE 53 HN PHE 53 4.245 -3.591 4.442 438 HA PHE 53 HA PHE 53 6.903 -2.754 3.438 439 HB2 PHE 53 HB2 PHE 53 4.324 -2.883 1.829 440 HB3 PHE 53 HB1 PHE 53 5.946 -2.622 1.196 441 HD1 PHE 53 HD1 PHE 53 7.396 -4.741 2.700 442 HD2 PHE 53 HD2 PHE 53 3.658 -4.846 0.709 443 HE1 PHE 53 HE1 PHE 53 7.618 -7.159 2.445 444 HE2 PHE 53 HE2 PHE 53 3.855 -7.231 0.477 445 HZ PHE 53 HZ PHE 53 5.830 -8.415 1.336 446 H GLU 54 HN GLU 54 7.078 -0.523 2.365 447 HA GLU 54 HA GLU 54 5.540 1.424 3.876 448 HB2 GLU 54 HB2 GLU 54 6.957 3.133 3.215 449 HB3 GLU 54 HB1 GLU 54 8.013 1.748 3.241 450 HG2 GLU 54 HG2 GLU 54 7.779 1.605 0.740 451 HG3 GLU 54 HG1 GLU 54 6.872 3.116 0.772 452 H ASP 55 HN ASP 55 5.167 0.158 0.639 453 HA ASP 55 HA ASP 55 3.179 2.233 0.070 454 HB2 ASP 55 HB2 ASP 55 5.014 0.586 -1.639 455 HB3 ASP 55 HB1 ASP 55 3.552 1.239 -2.353 456 H ALA 56 HN ALA 56 1.078 1.357 0.512 457 HA ALA 56 HA ALA 56 0.623 -1.413 0.285 458 HB1 ALA 56 HB1 ALA 56 -1.529 0.670 0.480 459 HB2 ALA 56 HB2 ALA 56 -0.634 0.000 1.838 460 HB3 ALA 56 HB3 ALA 56 -1.641 -1.045 0.846 461 H ARG 57 HN ARG 57 0.160 1.025 -2.409 462 HA ARG 57 HA ARG 57 -1.809 -0.778 -3.466 463 HB2 ARG 57 HB2 ARG 57 -2.560 0.612 -5.062 464 HB3 ARG 57 HB1 ARG 57 -2.196 1.711 -3.758 465 HG2 ARG 57 HG2 ARG 57 -0.403 1.263 -6.167 466 HG3 ARG 57 HG1 ARG 57 -1.668 2.476 -6.135 467 HD2 ARG 57 HD2 ARG 57 -0.108 3.889 -5.433 468 HD3 ARG 57 HD1 ARG 57 -0.122 3.057 -3.880 469 HE ARG 57 HE ARG 57 1.555 1.841 -5.901 470 HH11 ARG 57 HH11 ARG 57 1.410 4.193 -3.326 471 HH12 ARG 57 HH12 ARG 57 3.124 4.196 -3.036 472 HH21 ARG 57 HH22 ARG 57 3.766 1.838 -5.596 473 HH22 ARG 57 HH21 ARG 57 4.486 2.825 -4.359 474 H ASP 58 HN ASP 58 1.693 -0.174 -4.385 475 HA ASP 58 HA ASP 58 1.407 -2.003 -6.532 476 HB2 ASP 58 HB2 ASP 58 3.867 -0.840 -5.239 477 HB3 ASP 58 HB1 ASP 58 4.023 -2.184 -6.373 478 H ALA 59 HN ALA 59 2.271 -2.898 -3.094 479 HA ALA 59 HA ALA 59 2.797 -5.524 -3.430 480 HB1 ALA 59 HB1 ALA 59 1.444 -4.228 -1.079 481 HB2 ALA 59 HB2 ALA 59 3.167 -4.482 -1.361 482 HB3 ALA 59 HB3 ALA 59 2.110 -5.860 -1.094 483 H ALA 60 HN ALA 60 -0.336 -4.069 -3.746 484 HA ALA 60 HA ALA 60 -2.152 -6.045 -3.643 485 HB1 ALA 60 HB1 ALA 60 -2.941 -3.829 -3.937 486 HB2 ALA 60 HB2 ALA 60 -3.513 -4.730 -5.326 487 HB3 ALA 60 HB3 ALA 60 -2.141 -3.641 -5.500 488 H ASP 61 HN ASP 61 0.012 -5.529 -6.605 489 HA ASP 61 HA ASP 61 -0.938 -7.637 -8.136 490 HB2 ASP 61 HB2 ASP 61 1.987 -6.941 -7.875 491 HB3 ASP 61 HB1 ASP 61 1.244 -7.927 -9.110 492 H ALA 62 HN ALA 62 1.602 -8.015 -5.601 493 HA ALA 62 HA ALA 62 1.655 -10.803 -5.699 494 HB1 ALA 62 HB1 ALA 62 2.512 -10.846 -3.361 495 HB2 ALA 62 HB2 ALA 62 2.368 -9.094 -3.292 496 HB3 ALA 62 HB3 ALA 62 3.432 -9.860 -4.470 497 H ILE 63 HN ILE 63 -0.652 -8.712 -3.799 498 HA ILE 63 HA ILE 63 -1.443 -11.155 -2.489 499 HB ILE 63 HB ILE 63 -1.706 -9.034 -1.256 500 HG12 ILE 63 HG12 ILE 63 -3.704 -11.207 -1.592 501 HG13 ILE 63 HG11 ILE 63 -2.640 -10.862 -0.246 502 HG21 ILE 63 HG21 ILE 63 -4.372 -8.626 -2.513 503 HG22 ILE 63 HG22 ILE 63 -2.965 -7.920 -3.288 504 HG23 ILE 63 HG23 ILE 63 -3.363 -7.483 -1.625 505 HD11 ILE 63 HD11 ILE 63 -5.026 -10.683 0.265 506 HD12 ILE 63 HD12 ILE 63 -5.143 -9.322 -0.846 507 HD13 ILE 63 HD13 ILE 63 -4.125 -9.210 0.576 508 H LYS 64 HN LYS 64 -3.350 -9.247 -4.994 509 HA LYS 64 HA LYS 64 -5.110 -11.220 -5.605 510 HB2 LYS 64 HB2 LYS 64 -5.055 -10.488 -7.985 511 HB3 LYS 64 HB1 LYS 64 -5.221 -9.161 -6.872 512 HG2 LYS 64 HG2 LYS 64 -3.668 -8.215 -8.247 513 HG3 LYS 64 HG1 LYS 64 -2.531 -9.099 -7.221 514 HD2 LYS 64 HD2 LYS 64 -1.999 -10.608 -8.851 515 HD3 LYS 64 HD1 LYS 64 -3.595 -10.516 -9.615 516 HE2 LYS 64 HE2 LYS 64 -1.350 -8.513 -9.816 517 HE3 LYS 64 HE1 LYS 64 -1.920 -9.578 -11.085 518 HZ1 LYS 64 HZ1 LYS 64 -4.050 -8.405 -11.025 519 HZ2 LYS 64 HZ2 LYS 64 -2.769 -7.381 -11.425 520 HZ3 LYS 64 HZ3 LYS 64 -3.434 -7.330 -9.871 521 H GLU 65 HN GLU 65 -1.595 -11.444 -6.448 522 HA GLU 65 HA GLU 65 -2.128 -13.660 -8.224 523 HB2 GLU 65 HB2 GLU 65 -0.320 -12.721 -9.134 524 HB3 GLU 65 HB1 GLU 65 -0.080 -11.712 -7.720 525 HG2 GLU 65 HG2 GLU 65 1.131 -13.553 -6.692 526 HG3 GLU 65 HG1 GLU 65 0.948 -14.406 -8.201 527 H LYS 66 HN LYS 66 -1.315 -13.328 -4.847 528 HA LYS 66 HA LYS 66 -0.887 -16.212 -4.698 529 HB2 LYS 66 HB2 LYS 66 -0.581 -14.147 -2.462 530 HB3 LYS 66 HB1 LYS 66 -0.150 -15.841 -2.343 531 HG2 LYS 66 HG2 LYS 66 1.236 -13.595 -3.796 532 HG3 LYS 66 HG1 LYS 66 1.865 -14.643 -2.544 533 HD2 LYS 66 HD2 LYS 66 1.916 -16.538 -4.188 534 HD3 LYS 66 HD1 LYS 66 1.306 -15.445 -5.435 535 HE2 LYS 66 HE2 LYS 66 3.356 -14.040 -5.101 536 HE3 LYS 66 HE1 LYS 66 3.965 -15.278 -3.994 537 HZ1 LYS 66 HZ1 LYS 66 4.804 -15.462 -6.300 538 HZ2 LYS 66 HZ2 LYS 66 3.228 -15.792 -6.828 539 HZ3 LYS 66 HZ3 LYS 66 4.006 -16.861 -5.768 540 H ASP 67 HN ASP 67 -3.690 -14.895 -5.205 541 HA ASP 67 HA ASP 67 -4.936 -15.031 -2.616 542 HB2 ASP 67 HB2 ASP 67 -6.644 -13.820 -3.079 543 HB3 ASP 67 HB1 ASP 67 -5.502 -13.124 -4.210 544 H GLY 68 HN GLY 68 -7.371 -15.981 -2.594 545 HA2 GLY 68 HA2 GLY 68 -8.262 -18.223 -2.919 546 HA3 GLY 68 HA1 GLY 68 -6.616 -18.766 -3.142 547 H CYS 69 HN CYS 69 -7.289 -16.484 -0.501 548 HA CYS 69 HA CYS 69 -6.544 -18.096 1.583 549 HB2 CYS 69 HB2 CYS 69 -7.195 -15.745 2.045 550 HB3 CYS 69 HB1 CYS 69 -8.881 -16.136 1.709 551 HG CYS 69 HG CYS 69 -9.283 -16.223 4.235 552 H ASP 70 HN ASP 70 -7.201 -19.841 2.481 553 HA ASP 70 HA ASP 70 -9.947 -20.730 2.161 554 HB2 ASP 70 HB2 ASP 70 -7.548 -22.024 1.061 555 HB3 ASP 70 HB1 ASP 70 -8.624 -23.098 1.941 556 H PHE 71 HN PHE 71 -10.658 -22.361 3.777 557 HA PHE 71 HA PHE 71 -9.328 -22.573 6.223 558 HB2 PHE 71 HB2 PHE 71 -9.975 -20.068 6.169 559 HB3 PHE 71 HB1 PHE 71 -11.641 -20.619 6.308 560 HD1 PHE 71 HD2 PHE 71 -8.519 -21.844 7.975 561 HD2 PHE 71 HD1 PHE 71 -12.347 -20.035 8.427 562 HE1 PHE 71 HE2 PHE 71 -8.297 -21.992 10.415 563 HE2 PHE 71 HE1 PHE 71 -12.130 -20.190 10.863 564 HZ PHE 71 HZ PHE 71 -10.106 -21.165 11.866 565 H GLU 72 HN GLU 72 -10.515 -24.053 7.568 566 HA GLU 72 HA GLU 72 -12.046 -25.700 8.077 567 HB2 GLU 72 HB2 GLU 72 -14.094 -24.646 6.100 568 HB3 GLU 72 HB1 GLU 72 -14.379 -25.641 7.500 569 HG2 GLU 72 HG2 GLU 72 -13.978 -23.612 8.947 570 HG3 GLU 72 HG1 GLU 72 -13.797 -22.680 7.460 571 H GLY 73 HN GLY 73 -10.317 -26.823 6.803 572 HA2 GLY 73 HA2 GLY 73 -10.267 -28.983 5.834 573 HA3 GLY 73 HA1 GLY 73 -11.713 -28.578 4.945 574 H ASN 74 HN ASN 74 -10.262 -26.009 3.952 575 HA ASN 74 HA ASN 74 -8.064 -27.403 2.533 576 HB2 ASN 74 HB2 ASN 74 -9.808 -26.773 0.806 577 HB3 ASN 74 HB1 ASN 74 -9.650 -25.091 1.319 578 HD21 ASN 74 HD21 ASN 74 -8.991 -24.475 -0.748 579 HD22 ASN 74 HD22 ASN 74 -7.407 -24.828 -1.342 580 H LYS 75 HN LYS 75 -6.033 -26.483 2.896 581 HA LYS 75 HA LYS 75 -6.238 -24.252 4.881 582 HB2 LYS 75 HB2 LYS 75 -4.651 -26.704 4.975 583 HB3 LYS 75 HB1 LYS 75 -3.563 -25.351 4.915 584 HG2 LYS 75 HG2 LYS 75 -3.744 -25.212 7.130 585 HG3 LYS 75 HG1 LYS 75 -5.386 -24.648 6.932 586 HD2 LYS 75 HD2 LYS 75 -5.120 -27.622 6.923 587 HD3 LYS 75 HD1 LYS 75 -4.606 -26.832 8.405 588 HE2 LYS 75 HE2 LYS 75 -7.188 -25.812 7.385 589 HE3 LYS 75 HE1 LYS 75 -7.192 -27.515 7.867 590 HZ1 LYS 75 HZ1 LYS 75 -7.735 -26.023 9.690 591 HZ2 LYS 75 HZ2 LYS 75 -6.228 -25.269 9.543 592 HZ3 LYS 75 HZ3 LYS 75 -6.319 -26.897 9.999 593 H LEU 76 HN LEU 76 -5.920 -22.173 3.767 594 HA LEU 76 HA LEU 76 -3.337 -21.729 2.552 595 HB2 LEU 76 HB2 LEU 76 -5.388 -22.680 0.780 596 HB3 LEU 76 HB1 LEU 76 -5.049 -21.002 0.395 597 HG LEU 76 HG LEU 76 -2.773 -22.925 0.682 598 HD11 LEU 76 HD11 LEU 76 -3.009 -23.473 -1.697 599 HD12 LEU 76 HD12 LEU 76 -4.555 -22.628 -1.727 600 HD13 LEU 76 HD13 LEU 76 -4.362 -24.078 -0.740 601 HD21 LEU 76 HD21 LEU 76 -3.278 -20.524 -1.090 602 HD22 LEU 76 HD22 LEU 76 -1.805 -21.491 -1.070 603 HD23 LEU 76 HD23 LEU 76 -2.256 -20.551 0.345 604 H ARG 77 HN ARG 77 -3.814 -19.797 4.394 605 HA ARG 77 HA ARG 77 -5.847 -17.884 3.492 606 HB2 ARG 77 HB2 ARG 77 -6.222 -18.113 5.743 607 HB3 ARG 77 HB1 ARG 77 -4.585 -18.621 6.064 608 HG2 ARG 77 HG2 ARG 77 -5.105 -16.575 7.283 609 HG3 ARG 77 HG1 ARG 77 -3.807 -16.320 6.135 610 HD2 ARG 77 HD2 ARG 77 -4.896 -14.460 5.627 611 HD3 ARG 77 HD1 ARG 77 -5.986 -15.459 4.702 612 HE ARG 77 HE ARG 77 -7.518 -15.454 6.545 613 HH11 ARG 77 HH12 ARG 77 -4.877 -13.156 6.833 614 HH12 ARG 77 HH11 ARG 77 -5.701 -12.155 7.976 615 HH21 ARG 77 HH21 ARG 77 -8.624 -14.123 8.028 616 HH22 ARG 77 HH22 ARG 77 -7.853 -12.707 8.661 617 H VAL 78 HN VAL 78 -5.169 -16.146 2.051 618 HA VAL 78 HA VAL 78 -2.685 -14.779 2.911 619 HB VAL 78 HB VAL 78 -3.518 -14.911 -0.074 620 HG11 VAL 78 HG11 VAL 78 -1.399 -13.763 -0.425 621 HG12 VAL 78 HG12 VAL 78 -1.104 -13.714 1.312 622 HG13 VAL 78 HG13 VAL 78 -2.457 -12.818 0.627 623 HG21 VAL 78 HG21 VAL 78 -1.666 -16.581 1.589 624 HG22 VAL 78 HG22 VAL 78 -0.995 -15.966 0.085 625 HG23 VAL 78 HG23 VAL 78 -2.444 -16.965 0.054 626 H GLU 79 HN GLU 79 -3.374 -12.724 3.846 627 HA GLU 79 HA GLU 79 -5.381 -11.295 2.318 628 HB2 GLU 79 HB2 GLU 79 -6.136 -12.912 4.362 629 HB3 GLU 79 HB1 GLU 79 -5.946 -11.380 5.204 630 HG2 GLU 79 HG2 GLU 79 -7.535 -10.368 3.582 631 HG3 GLU 79 HG1 GLU 79 -7.738 -11.964 2.857 632 H VAL 80 HN VAL 80 -5.050 -9.148 2.321 633 HA VAL 80 HA VAL 80 -3.132 -8.009 4.153 634 HB VAL 80 HB VAL 80 -3.354 -5.932 2.846 635 HG11 VAL 80 HG11 VAL 80 -1.643 -7.103 1.959 636 HG12 VAL 80 HG12 VAL 80 -2.703 -7.131 0.554 637 HG13 VAL 80 HG13 VAL 80 -2.621 -8.519 1.632 638 HG21 VAL 80 HG21 VAL 80 -5.675 -6.066 2.130 639 HG22 VAL 80 HG22 VAL 80 -5.306 -7.456 1.109 640 HG23 VAL 80 HG23 VAL 80 -4.602 -5.879 0.739 641 HA PRO 81 HA PRO 81 -6.443 -6.007 6.499 642 HB2 PRO 81 HB2 PRO 81 -4.866 -5.269 8.603 643 HB3 PRO 81 HB1 PRO 81 -5.609 -6.872 8.464 644 HG2 PRO 81 HG2 PRO 81 -2.809 -6.065 8.102 645 HG3 PRO 81 HG1 PRO 81 -3.482 -7.647 8.542 646 HD2 PRO 81 HD2 PRO 81 -2.539 -6.828 6.006 647 HD3 PRO 81 HD1 PRO 81 -3.379 -8.340 6.400 648 H PHE 82 HN PHE 82 -4.699 -4.831 4.304 649 HA PHE 82 HA PHE 82 -4.836 -2.066 5.312 650 HB2 PHE 82 HB2 PHE 82 -3.058 -1.331 3.793 651 HB3 PHE 82 HB1 PHE 82 -2.457 -2.503 4.934 652 HD1 PHE 82 HD2 PHE 82 -3.832 -2.483 1.420 653 HD2 PHE 82 HD1 PHE 82 -0.898 -3.955 4.113 654 HE1 PHE 82 HE2 PHE 82 -2.672 -3.583 -0.447 655 HE2 PHE 82 HE1 PHE 82 0.267 -5.019 2.269 656 HZ PHE 82 HZ PHE 82 -0.609 -4.846 -0.034 657 H ASN 83 HN ASN 83 -5.624 -4.256 2.827 658 HA ASN 83 HA ASN 83 -6.932 -4.300 1.024 659 HB2 ASN 83 HB2 ASN 83 -8.072 -1.665 1.964 660 HB3 ASN 83 HB1 ASN 83 -8.752 -2.653 0.661 661 HD21 ASN 83 HD21 ASN 83 -9.819 -4.532 1.141 662 HD22 ASN 83 HD22 ASN 83 -10.310 -4.961 2.740 663 H ALA 84 HN ALA 84 -5.547 -1.022 1.290 664 HA ALA 84 HA ALA 84 -4.109 -1.112 -1.114 665 HB1 ALA 84 HB1 ALA 84 -5.381 0.352 -2.598 666 HB2 ALA 84 HB2 ALA 84 -6.684 0.476 -1.421 667 HB3 ALA 84 HB3 ALA 84 -6.360 -1.063 -2.216 668 H ARG 85 HN ARG 85 -3.661 1.518 -1.735 669 HA ARG 85 HA ARG 85 -3.069 2.691 0.886 670 HB2 ARG 85 HB2 ARG 85 -1.352 2.811 -1.050 671 HB3 ARG 85 HB1 ARG 85 -2.396 4.027 -1.778 672 HG2 ARG 85 HG2 ARG 85 -2.001 4.883 0.877 673 HG3 ARG 85 HG1 ARG 85 -0.416 4.382 0.313 674 HD2 ARG 85 HD2 ARG 85 -0.964 5.804 -1.786 675 HD3 ARG 85 HD1 ARG 85 -2.214 6.528 -0.763 676 HE ARG 85 HE ARG 85 0.682 6.645 -0.341 677 HH11 ARG 85 HH12 ARG 85 -2.533 7.783 0.621 678 HH12 ARG 85 HH11 ARG 85 -1.880 9.057 1.601 679 HH21 ARG 85 HH22 ARG 85 1.466 8.293 0.949 680 HH22 ARG 85 HH21 ARG 85 0.374 9.344 1.784 681 H GLU 86 HN GLU 86 -3.798 5.052 1.353 682 HA GLU 86 HA GLU 86 -6.519 5.419 0.361 683 HB2 GLU 86 HB2 GLU 86 -5.857 5.418 2.838 684 HB3 GLU 86 HB1 GLU 86 -5.100 6.975 2.527 685 HG2 GLU 86 HG2 GLU 86 -7.125 7.740 3.245 686 HG3 GLU 86 HG1 GLU 86 -7.560 7.482 1.554 Start of MODEL 6 1 H1 GLY -2 HT1 GLY -2 -15.152 -6.728 -0.274 2 H2 GLY -2 HT2 GLY -2 -14.641 -5.821 -1.609 3 H3 GLY -2 HT3 GLY -2 -16.091 -5.432 -0.827 4 HA2 GLY -2 HA1 GLY -2 -14.897 -4.829 1.174 5 HA3 GLY -2 HA2 GLY -2 -13.386 -5.229 0.375 6 H SER -1 HN SER -1 -12.383 -3.339 0.206 7 HA SER -1 HA SER -1 -11.720 -1.364 -0.613 8 HB2 SER -1 HB2 SER -1 -12.836 -2.279 -2.742 9 HB3 SER -1 HB1 SER -1 -14.184 -1.217 -2.361 10 HG SER -1 HG SER -1 -12.456 -0.412 -3.822 11 H HIS 0 HN HIS 0 -12.955 1.022 -1.190 12 HA HIS 0 HA HIS 0 -13.986 2.863 -0.370 13 HB2 HIS 0 HB2 HIS 0 -15.992 1.351 -0.626 14 HB3 HIS 0 HB1 HIS 0 -15.843 0.949 1.072 15 HD1 HIS 0 HD1 HIS 0 -18.194 1.866 1.555 16 HD2 HIS 0 HD2 HIS 0 -15.595 4.720 0.010 17 HE1 HIS 0 HE1 HIS 0 -19.306 4.080 1.967 18 HE2 HIS 0 HE2 HIS 0 -17.618 5.793 1.226 19 H MET 1 HN MET 1 -11.684 2.021 0.912 20 HA MET 1 HA MET 1 -12.075 2.979 3.663 21 HB2 MET 1 HB2 MET 1 -10.425 0.562 2.868 22 HB3 MET 1 HB1 MET 1 -10.371 1.318 4.450 23 HG2 MET 1 HG2 MET 1 -12.654 0.697 4.877 24 HG3 MET 1 HG1 MET 1 -12.824 0.071 3.239 25 HE1 MET 1 HE1 MET 1 -12.942 -3.184 5.392 26 HE2 MET 1 HE2 MET 1 -13.720 -2.267 4.102 27 HE3 MET 1 HE3 MET 1 -13.655 -1.609 5.737 28 H VAL 2 HN VAL 2 -10.485 4.381 4.351 29 HA VAL 2 HA VAL 2 -7.983 4.534 2.906 30 HB VAL 2 HB VAL 2 -9.364 5.966 1.531 31 HG11 VAL 2 HG11 VAL 2 -9.965 7.620 3.977 32 HG12 VAL 2 HG12 VAL 2 -11.108 6.615 3.088 33 HG13 VAL 2 HG13 VAL 2 -10.394 8.032 2.317 34 HG21 VAL 2 HG21 VAL 2 -7.475 7.616 3.190 35 HG22 VAL 2 HG22 VAL 2 -8.068 8.031 1.586 36 HG23 VAL 2 HG23 VAL 2 -7.042 6.611 1.808 37 H ILE 3 HN ILE 3 -6.431 4.609 4.318 38 HA ILE 3 HA ILE 3 -6.814 5.964 6.908 39 HB ILE 3 HB ILE 3 -5.787 3.136 6.466 40 HG12 ILE 3 HG12 ILE 3 -7.807 3.670 8.538 41 HG13 ILE 3 HG11 ILE 3 -8.353 3.999 6.891 42 HG21 ILE 3 HG21 ILE 3 -5.343 2.955 8.874 43 HG22 ILE 3 HG22 ILE 3 -5.699 4.668 9.088 44 HG23 ILE 3 HG23 ILE 3 -4.308 4.164 8.123 45 HD11 ILE 3 HD11 ILE 3 -7.180 1.388 7.834 46 HD12 ILE 3 HD12 ILE 3 -7.849 1.737 6.239 47 HD13 ILE 3 HD13 ILE 3 -8.899 1.738 7.657 48 H ARG 4 HN ARG 4 -5.200 7.432 7.223 49 HA ARG 4 HA ARG 4 -2.690 7.074 5.766 50 HB2 ARG 4 HB2 ARG 4 -3.570 9.492 7.352 51 HB3 ARG 4 HB1 ARG 4 -2.168 9.396 6.296 52 HG2 ARG 4 HG2 ARG 4 -3.537 10.384 4.757 53 HG3 ARG 4 HG1 ARG 4 -4.246 8.770 4.601 54 HD2 ARG 4 HD2 ARG 4 -5.973 10.459 4.966 55 HD3 ARG 4 HD1 ARG 4 -5.899 9.310 6.303 56 HE ARG 4 HE ARG 4 -4.276 11.491 6.948 57 HH11 ARG 4 HH11 ARG 4 -7.691 10.800 6.484 58 HH12 ARG 4 HH12 ARG 4 -8.216 12.042 7.572 59 HH21 ARG 4 HH22 ARG 4 -4.963 13.114 8.370 60 HH22 ARG 4 HH21 ARG 4 -6.653 13.363 8.652 61 H GLU 5 HN GLU 5 -0.627 7.473 6.904 62 HA GLU 5 HA GLU 5 0.907 7.342 8.561 63 HB2 GLU 5 HB2 GLU 5 -0.478 8.966 9.865 64 HB3 GLU 5 HB1 GLU 5 -1.436 7.654 10.514 65 HG2 GLU 5 HG2 GLU 5 0.487 6.885 11.835 66 HG3 GLU 5 HG1 GLU 5 1.514 8.127 11.112 67 H SER 6 HN SER 6 1.787 5.723 10.152 68 HA SER 6 HA SER 6 1.956 3.719 11.253 69 HB2 SER 6 HB2 SER 6 -0.627 3.651 11.616 70 HB3 SER 6 HB1 SER 6 -0.718 2.712 10.125 71 HG SER 6 HG SER 6 -0.597 1.559 12.232 72 H VAL 7 HN VAL 7 1.457 1.111 10.125 73 HA VAL 7 HA VAL 7 2.710 1.323 7.490 74 HB VAL 7 HB VAL 7 3.958 -0.953 8.404 75 HG11 VAL 7 HG11 VAL 7 4.981 0.667 7.008 76 HG12 VAL 7 HG12 VAL 7 6.014 0.409 8.418 77 HG13 VAL 7 HG13 VAL 7 5.000 1.847 8.316 78 HG21 VAL 7 HG21 VAL 7 5.121 -0.585 10.442 79 HG22 VAL 7 HG22 VAL 7 3.396 -0.527 10.785 80 HG23 VAL 7 HG23 VAL 7 4.339 0.969 10.692 81 H SER 8 HN SER 8 2.076 -0.010 6.066 82 HA SER 8 HA SER 8 -0.183 -1.744 6.619 83 HB2 SER 8 HB2 SER 8 0.396 -2.183 3.981 84 HB3 SER 8 HB1 SER 8 -0.559 -0.795 4.527 85 HG SER 8 HG SER 8 2.275 -0.869 4.099 86 H ARG 9 HN ARG 9 -0.109 -3.948 6.938 87 HA ARG 9 HA ARG 9 2.448 -5.263 6.225 88 HB2 ARG 9 HB2 ARG 9 2.148 -6.852 8.182 89 HB3 ARG 9 HB1 ARG 9 2.669 -5.228 8.594 90 HG2 ARG 9 HG2 ARG 9 -0.248 -6.047 8.765 91 HG3 ARG 9 HG1 ARG 9 0.891 -6.388 10.060 92 HD2 ARG 9 HD2 ARG 9 1.301 -4.074 10.419 93 HD3 ARG 9 HD1 ARG 9 0.429 -3.625 8.953 94 HE ARG 9 HE ARG 9 -1.476 -4.836 10.364 95 HH11 ARG 9 HH11 ARG 9 0.889 -2.420 11.305 96 HH12 ARG 9 HH12 ARG 9 -0.134 -1.716 12.519 97 HH21 ARG 9 HH21 ARG 9 -2.820 -3.928 11.942 98 HH22 ARG 9 HH22 ARG 9 -2.264 -2.580 12.880 99 H ILE 10 HN ILE 10 2.222 -7.730 5.636 100 HA ILE 10 HA ILE 10 -0.642 -8.264 5.104 101 HB ILE 10 HB ILE 10 1.699 -8.591 3.248 102 HG12 ILE 10 HG12 ILE 10 -1.242 -8.377 2.655 103 HG13 ILE 10 HG11 ILE 10 -0.277 -6.973 2.948 104 HG21 ILE 10 HG21 ILE 10 0.957 -11.041 3.681 105 HG22 ILE 10 HG22 ILE 10 1.007 -10.508 2.005 106 HG23 ILE 10 HG23 ILE 10 -0.537 -10.610 2.837 107 HD11 ILE 10 HD11 ILE 10 0.122 -8.893 0.634 108 HD12 ILE 10 HD12 ILE 10 0.906 -7.324 0.855 109 HD13 ILE 10 HD13 ILE 10 -0.821 -7.410 0.562 110 H TYR 11 HN TYR 11 -1.471 -10.339 5.516 111 HA TYR 11 HA TYR 11 0.268 -11.901 7.340 112 HB2 TYR 11 HB2 TYR 11 -1.966 -10.894 8.156 113 HB3 TYR 11 HB1 TYR 11 -2.760 -12.139 7.194 114 HD1 TYR 11 HD2 TYR 11 -0.338 -11.621 9.959 115 HD2 TYR 11 HD1 TYR 11 -3.080 -14.307 8.116 116 HE1 TYR 11 HE2 TYR 11 -0.113 -13.152 11.870 117 HE2 TYR 11 HE1 TYR 11 -2.865 -15.837 10.032 118 HH TYR 11 HH TYR 11 -1.117 -16.326 11.823 119 H VAL 12 HN VAL 12 1.070 -14.013 6.492 120 HA VAL 12 HA VAL 12 -0.779 -15.275 4.550 121 HB VAL 12 HB VAL 12 0.992 -14.517 3.024 122 HG11 VAL 12 HG11 VAL 12 3.375 -14.837 3.480 123 HG12 VAL 12 HG12 VAL 12 2.961 -15.410 5.098 124 HG13 VAL 12 HG13 VAL 12 2.572 -13.755 4.618 125 HG21 VAL 12 HG21 VAL 12 1.866 -17.346 3.750 126 HG22 VAL 12 HG22 VAL 12 2.339 -16.443 2.315 127 HG23 VAL 12 HG23 VAL 12 0.670 -16.914 2.533 128 H GLY 13 HN GLY 13 -1.689 -16.974 5.713 129 HA2 GLY 13 HA2 GLY 13 0.218 -18.598 7.337 130 HA3 GLY 13 HA1 GLY 13 -1.480 -18.395 7.717 131 H ASN 14 HN ASN 14 -0.481 -20.953 7.692 132 HA ASN 14 HA ASN 14 -0.561 -23.032 6.721 133 HB2 ASN 14 HB2 ASN 14 -3.082 -21.738 5.752 134 HB3 ASN 14 HB1 ASN 14 -2.734 -23.432 5.420 135 HD21 ASN 14 HD21 ASN 14 -3.536 -21.093 7.842 136 HD22 ASN 14 HD22 ASN 14 -3.874 -22.215 9.110 137 H LEU 15 HN LEU 15 0.787 -20.950 4.944 138 HA LEU 15 HA LEU 15 0.544 -21.758 2.288 139 HB2 LEU 15 HB2 LEU 15 2.469 -20.396 1.896 140 HB3 LEU 15 HB1 LEU 15 1.497 -19.583 3.107 141 HG LEU 15 HG LEU 15 3.878 -21.260 3.898 142 HD11 LEU 15 HD11 LEU 15 4.816 -19.749 2.363 143 HD12 LEU 15 HD12 LEU 15 5.108 -19.068 3.969 144 HD13 LEU 15 HD13 LEU 15 3.823 -18.415 2.951 145 HD21 LEU 15 HD21 LEU 15 2.401 -20.585 5.714 146 HD22 LEU 15 HD22 LEU 15 2.524 -18.902 5.207 147 HD23 LEU 15 HD23 LEU 15 3.946 -19.741 5.822 148 HA PRO 16 HA PRO 16 3.048 -25.485 2.508 149 HB2 PRO 16 HB2 PRO 16 3.621 -25.710 -0.203 150 HB3 PRO 16 HB1 PRO 16 2.150 -26.316 0.578 151 HG2 PRO 16 HG2 PRO 16 2.559 -23.956 -1.115 152 HG3 PRO 16 HG1 PRO 16 1.094 -24.910 -0.831 153 HD2 PRO 16 HD2 PRO 16 1.648 -22.410 0.246 154 HD3 PRO 16 HD1 PRO 16 0.403 -23.531 0.817 155 H SER 17 HN SER 17 5.294 -25.740 2.893 156 HA SER 17 HA SER 17 7.489 -25.839 2.457 157 HB2 SER 17 HB2 SER 17 8.654 -24.916 0.661 158 HB3 SER 17 HB1 SER 17 7.043 -25.119 -0.017 159 HG SER 17 HG SER 17 8.107 -23.057 -0.425 160 H HIS 18 HN HIS 18 5.954 -22.767 3.024 161 HA HIS 18 HA HIS 18 6.330 -21.068 4.397 162 HB2 HIS 18 HB2 HIS 18 6.740 -22.180 6.332 163 HB3 HIS 18 HB1 HIS 18 8.058 -23.097 5.660 164 HD1 HIS 18 HD1 HIS 18 10.378 -22.318 6.171 165 HD2 HIS 18 HD2 HIS 18 7.486 -19.545 7.279 166 HE1 HIS 18 HE1 HIS 18 11.588 -20.588 7.518 167 HE2 HIS 18 HE2 HIS 18 9.895 -18.761 7.846 168 H VAL 19 HN VAL 19 7.018 -19.204 3.722 169 HA VAL 19 HA VAL 19 9.320 -18.955 2.004 170 HB VAL 19 HB VAL 19 8.596 -16.517 1.817 171 HG11 VAL 19 HG11 VAL 19 6.350 -18.465 1.569 172 HG12 VAL 19 HG12 VAL 19 7.505 -17.992 0.320 173 HG13 VAL 19 HG13 VAL 19 6.347 -16.824 0.945 174 HG21 VAL 19 HG21 VAL 19 6.598 -15.698 2.950 175 HG22 VAL 19 HG22 VAL 19 7.843 -16.119 4.123 176 HG23 VAL 19 HG23 VAL 19 6.486 -17.211 3.854 177 H SER 20 HN SER 20 11.561 -18.877 2.958 178 HA SER 20 HA SER 20 11.855 -18.241 5.716 179 HB2 SER 20 HB2 SER 20 14.181 -18.362 3.796 180 HB3 SER 20 HB1 SER 20 14.032 -19.084 5.396 181 HG SER 20 HG SER 20 13.244 -20.046 2.931 182 H SER 21 HN SER 21 13.296 -16.326 6.589 183 HA SER 21 HA SER 21 12.298 -13.934 5.848 184 HB2 SER 21 HB2 SER 21 14.213 -12.910 7.109 185 HB3 SER 21 HB1 SER 21 13.323 -14.174 7.956 186 HG SER 21 HG SER 21 15.726 -14.226 7.999 187 H ARG 22 HN ARG 22 15.393 -15.213 4.511 188 HA ARG 22 HA ARG 22 15.866 -12.832 3.023 189 HB2 ARG 22 HB2 ARG 22 17.141 -15.423 2.073 190 HB3 ARG 22 HB1 ARG 22 17.748 -13.798 2.049 191 HG2 ARG 22 HG2 ARG 22 19.066 -14.794 3.645 192 HG3 ARG 22 HG1 ARG 22 17.871 -14.002 4.653 193 HD2 ARG 22 HD2 ARG 22 16.778 -16.525 4.250 194 HD3 ARG 22 HD1 ARG 22 18.505 -16.841 4.330 195 HE ARG 22 HE ARG 22 16.890 -15.574 6.449 196 HH11 ARG 22 HH12 ARG 22 19.795 -17.373 5.529 197 HH12 ARG 22 HH11 ARG 22 20.268 -17.650 7.172 198 HH21 ARG 22 HH21 ARG 22 17.472 -16.067 8.567 199 HH22 ARG 22 HH22 ARG 22 18.947 -16.910 8.899 200 H ASP 23 HN ASP 23 14.030 -15.792 1.828 201 HA ASP 23 HA ASP 23 13.739 -14.739 -0.780 202 HB2 ASP 23 HB2 ASP 23 11.696 -16.675 0.328 203 HB3 ASP 23 HB1 ASP 23 12.393 -16.623 -1.265 204 H VAL 24 HN VAL 24 11.884 -14.224 2.309 205 HA VAL 24 HA VAL 24 9.686 -12.971 0.941 206 HB VAL 24 HB VAL 24 9.139 -14.100 2.999 207 HG11 VAL 24 HG11 VAL 24 10.494 -14.065 4.696 208 HG12 VAL 24 HG12 VAL 24 9.898 -12.431 5.022 209 HG13 VAL 24 HG13 VAL 24 11.351 -12.656 4.055 210 HG21 VAL 24 HG21 VAL 24 8.389 -11.898 4.387 211 HG22 VAL 24 HG22 VAL 24 7.472 -12.700 3.137 212 HG23 VAL 24 HG23 VAL 24 8.449 -11.290 2.735 213 H GLU 25 HN GLU 25 12.603 -11.835 2.656 214 HA GLU 25 HA GLU 25 12.185 -9.170 2.118 215 HB2 GLU 25 HB2 GLU 25 14.217 -8.790 2.957 216 HB3 GLU 25 HB1 GLU 25 14.122 -10.454 3.440 217 HG2 GLU 25 HG2 GLU 25 15.544 -10.998 1.403 218 HG3 GLU 25 HG1 GLU 25 15.694 -9.260 1.132 219 H ASN 26 HN ASN 26 14.107 -11.300 -0.282 220 HA ASN 26 HA ASN 26 14.130 -9.246 -2.185 221 HB2 ASN 26 HB2 ASN 26 15.673 -11.208 -2.474 222 HB3 ASN 26 HB1 ASN 26 14.257 -12.210 -2.880 223 HD21 ASN 26 HD21 ASN 26 14.751 -12.737 -4.908 224 HD22 ASN 26 HD22 ASN 26 14.916 -11.598 -6.197 225 H GLU 27 HN GLU 27 11.875 -12.193 -2.456 226 HA GLU 27 HA GLU 27 10.339 -11.111 -4.465 227 HB2 GLU 27 HB2 GLU 27 10.162 -13.501 -3.454 228 HB3 GLU 27 HB1 GLU 27 8.988 -12.822 -2.362 229 HG2 GLU 27 HG2 GLU 27 7.682 -12.116 -4.521 230 HG3 GLU 27 HG1 GLU 27 8.747 -13.277 -5.327 231 H PHE 28 HN PHE 28 9.747 -10.530 -0.859 232 HA PHE 28 HA PHE 28 7.374 -9.083 -1.643 233 HB2 PHE 28 HB2 PHE 28 8.361 -10.072 0.915 234 HB3 PHE 28 HB1 PHE 28 7.634 -8.480 1.035 235 HD1 PHE 28 HD1 PHE 28 6.908 -12.058 0.011 236 HD2 PHE 28 HD2 PHE 28 5.349 -8.188 1.004 237 HE1 PHE 28 HE1 PHE 28 4.606 -12.972 0.026 238 HE2 PHE 28 HE2 PHE 28 3.070 -9.152 1.095 239 HZ PHE 28 HZ PHE 28 2.722 -11.530 0.613 240 H ARG 29 HN ARG 29 10.752 -7.940 -1.210 241 HA ARG 29 HA ARG 29 10.041 -5.194 -0.817 242 HB2 ARG 29 HB2 ARG 29 12.343 -5.737 -2.748 243 HB3 ARG 29 HB1 ARG 29 11.903 -4.244 -1.962 244 HG2 ARG 29 HG2 ARG 29 12.769 -4.902 0.137 245 HG3 ARG 29 HG1 ARG 29 12.942 -6.592 -0.341 246 HD2 ARG 29 HD2 ARG 29 15.112 -5.445 -0.306 247 HD3 ARG 29 HD1 ARG 29 14.711 -5.911 -1.963 248 HE ARG 29 HE ARG 29 13.987 -3.203 -1.140 249 HH11 ARG 29 HH12 ARG 29 16.300 -5.247 -2.780 250 HH12 ARG 29 HH11 ARG 29 17.033 -3.944 -3.655 251 HH21 ARG 29 HH22 ARG 29 14.982 -1.466 -2.240 252 HH22 ARG 29 HH21 ARG 29 16.278 -1.776 -3.343 253 H LYS 30 HN LYS 30 9.944 -7.141 -3.875 254 HA LYS 30 HA LYS 30 9.282 -4.831 -5.403 255 HB2 LYS 30 HB2 LYS 30 9.407 -6.306 -7.062 256 HB3 LYS 30 HB1 LYS 30 9.243 -7.637 -5.952 257 HG2 LYS 30 HG2 LYS 30 7.783 -7.899 -7.812 258 HG3 LYS 30 HG1 LYS 30 6.770 -7.664 -6.415 259 HD2 LYS 30 HD2 LYS 30 6.753 -5.156 -7.266 260 HD3 LYS 30 HD1 LYS 30 7.240 -5.897 -8.791 261 HE2 LYS 30 HE2 LYS 30 4.823 -6.823 -7.225 262 HE3 LYS 30 HE1 LYS 30 4.742 -5.531 -8.425 263 HZ1 LYS 30 HZ1 LYS 30 5.588 -7.090 -10.098 264 HZ2 LYS 30 HZ2 LYS 30 4.137 -7.628 -9.412 265 HZ3 LYS 30 HZ3 LYS 30 5.603 -8.327 -8.942 266 H TYR 31 HN TYR 31 7.308 -5.827 -2.844 267 HA TYR 31 HA TYR 31 4.812 -5.372 -4.277 268 HB2 TYR 31 HB2 TYR 31 5.424 -6.278 -1.496 269 HB3 TYR 31 HB1 TYR 31 3.820 -5.948 -2.026 270 HD1 TYR 31 HD2 TYR 31 6.521 -7.882 -3.844 271 HD2 TYR 31 HD1 TYR 31 2.802 -7.989 -1.766 272 HE1 TYR 31 HE2 TYR 31 6.315 -10.254 -4.309 273 HE2 TYR 31 HE1 TYR 31 2.611 -10.390 -2.260 274 HH TYR 31 HH TYR 31 5.333 -12.114 -3.472 275 H GLY 32 HN GLY 32 6.933 -3.778 -1.937 276 HA2 GLY 32 HA2 GLY 32 6.021 -1.292 -2.582 277 HA3 GLY 32 HA1 GLY 32 5.143 -1.761 -1.149 278 H ASN 33 HN ASN 33 8.454 -2.698 -1.882 279 HA ASN 33 HA ASN 33 10.431 -2.387 -0.860 280 HB2 ASN 33 HB2 ASN 33 9.758 0.064 -1.700 281 HB3 ASN 33 HB1 ASN 33 9.800 0.377 0.013 282 HD21 ASN 33 HD21 ASN 33 11.524 1.694 -0.059 283 HD22 ASN 33 HD22 ASN 33 13.133 1.136 -0.388 284 H ILE 34 HN ILE 34 9.780 -3.903 0.695 285 HA ILE 34 HA ILE 34 8.559 -3.243 3.106 286 HB ILE 34 HB ILE 34 8.198 -5.461 2.994 287 HG12 ILE 34 HG12 ILE 34 9.842 -5.180 5.062 288 HG13 ILE 34 HG11 ILE 34 9.273 -6.763 4.560 289 HG21 ILE 34 HG21 ILE 34 9.792 -7.078 1.953 290 HG22 ILE 34 HG22 ILE 34 10.809 -5.682 1.572 291 HG23 ILE 34 HG23 ILE 34 9.171 -5.805 0.921 292 HD11 ILE 34 HD11 ILE 34 11.441 -7.057 3.341 293 HD12 ILE 34 HD12 ILE 34 11.608 -6.921 5.071 294 HD13 ILE 34 HD13 ILE 34 11.998 -5.547 4.055 295 H LEU 35 HN LEU 35 9.233 -2.876 5.315 296 HA LEU 35 HA LEU 35 12.098 -2.291 5.627 297 HB2 LEU 35 HB2 LEU 35 10.449 -1.164 7.811 298 HB3 LEU 35 HB1 LEU 35 11.799 -0.487 6.955 299 HG LEU 35 HG LEU 35 9.957 0.985 6.705 300 HD11 LEU 35 HD11 LEU 35 9.526 1.069 4.282 301 HD12 LEU 35 HD12 LEU 35 10.343 -0.485 4.118 302 HD13 LEU 35 HD13 LEU 35 11.235 0.922 4.697 303 HD21 LEU 35 HD21 LEU 35 7.793 0.448 6.046 304 HD22 LEU 35 HD22 LEU 35 8.242 -0.790 7.210 305 HD23 LEU 35 HD23 LEU 35 8.259 -1.149 5.486 306 H LYS 36 HN LYS 36 9.513 -4.328 6.719 307 HA LYS 36 HA LYS 36 11.114 -5.329 9.018 308 HB2 LYS 36 HB2 LYS 36 9.306 -3.502 9.529 309 HB3 LYS 36 HB1 LYS 36 8.164 -4.805 9.275 310 HG2 LYS 36 HG2 LYS 36 10.341 -5.297 11.221 311 HG3 LYS 36 HG1 LYS 36 9.085 -4.152 11.673 312 HD2 LYS 36 HD2 LYS 36 7.559 -6.164 10.717 313 HD3 LYS 36 HD1 LYS 36 8.940 -7.074 11.323 314 HE2 LYS 36 HE2 LYS 36 7.275 -6.936 13.045 315 HE3 LYS 36 HE1 LYS 36 8.658 -5.943 13.501 316 HZ1 LYS 36 HZ1 LYS 36 6.189 -4.883 12.219 317 HZ2 LYS 36 HZ2 LYS 36 7.479 -3.989 12.851 318 HZ3 LYS 36 HZ3 LYS 36 6.482 -4.861 13.889 319 H CYS 37 HN CYS 37 10.950 -7.678 9.119 320 HA CYS 37 HA CYS 37 8.803 -9.046 7.633 321 HB2 CYS 37 HB2 CYS 37 11.585 -8.869 6.751 322 HB3 CYS 37 HB1 CYS 37 11.090 -10.529 6.935 323 HG CYS 37 HG CYS 37 10.855 -9.623 4.240 324 H ASP 38 HN ASP 38 7.977 -10.274 9.156 325 HA ASP 38 HA ASP 38 10.003 -11.743 10.823 326 HB2 ASP 38 HB2 ASP 38 8.795 -9.777 11.928 327 HB3 ASP 38 HB1 ASP 38 7.365 -10.853 11.972 328 H VAL 39 HN VAL 39 9.602 -13.842 11.425 329 HA VAL 39 HA VAL 39 7.187 -15.132 10.388 330 HB VAL 39 HB VAL 39 9.745 -16.695 10.943 331 HG11 VAL 39 HG11 VAL 39 7.375 -17.327 9.219 332 HG12 VAL 39 HG12 VAL 39 7.735 -17.980 10.820 333 HG13 VAL 39 HG13 VAL 39 8.786 -18.343 9.452 334 HG21 VAL 39 HG21 VAL 39 9.071 -15.989 8.114 335 HG22 VAL 39 HG22 VAL 39 10.534 -16.687 8.776 336 HG23 VAL 39 HG23 VAL 39 10.172 -14.987 9.067 337 H LYS 40 HN LYS 40 5.856 -15.605 12.064 338 HA LYS 40 HA LYS 40 7.108 -16.234 14.634 339 HB2 LYS 40 HB2 LYS 40 4.220 -15.467 14.032 340 HB3 LYS 40 HB1 LYS 40 5.009 -15.365 15.606 341 HG2 LYS 40 HG2 LYS 40 6.592 -13.702 14.174 342 HG3 LYS 40 HG1 LYS 40 5.074 -13.522 13.300 343 HD2 LYS 40 HD2 LYS 40 4.100 -13.295 15.756 344 HD3 LYS 40 HD1 LYS 40 5.752 -12.773 16.089 345 HE2 LYS 40 HE2 LYS 40 5.532 -11.100 14.263 346 HE3 LYS 40 HE1 LYS 40 3.837 -11.564 14.100 347 HZ1 LYS 40 HZ1 LYS 40 3.552 -10.970 16.463 348 HZ2 LYS 40 HZ2 LYS 40 3.968 -9.654 15.483 349 HZ3 LYS 40 HZ3 LYS 40 5.133 -10.366 16.478 350 H LYS 41 HN LYS 41 6.850 -18.442 15.619 351 HA LYS 41 HA LYS 41 5.283 -20.105 13.781 352 HB2 LYS 41 HB2 LYS 41 7.896 -20.563 14.464 353 HB3 LYS 41 HB1 LYS 41 7.063 -21.570 15.628 354 HG2 LYS 41 HG2 LYS 41 7.867 -22.584 13.405 355 HG3 LYS 41 HG1 LYS 41 6.301 -23.046 14.058 356 HD2 LYS 41 HD2 LYS 41 6.241 -22.594 11.646 357 HD3 LYS 41 HD1 LYS 41 5.201 -21.519 12.559 358 HE2 LYS 41 HE2 LYS 41 6.271 -20.147 10.978 359 HE3 LYS 41 HE1 LYS 41 7.090 -19.846 12.503 360 HZ1 LYS 41 HZ1 LYS 41 8.659 -20.106 10.667 361 HZ2 LYS 41 HZ2 LYS 41 8.063 -21.660 10.361 362 HZ3 LYS 41 HZ3 LYS 41 8.859 -21.334 11.814 363 H THR 42 HN THR 42 3.355 -21.029 14.456 364 HA THR 42 HA THR 42 3.033 -21.168 17.249 365 HB THR 42 HB THR 42 1.131 -20.473 15.674 366 HG1 THR 42 HG1 THR 42 -0.421 -21.433 17.107 367 HG21 THR 42 HG21 THR 42 1.084 -23.437 15.214 368 HG22 THR 42 HG22 THR 42 0.841 -22.152 14.036 369 HG23 THR 42 HG23 THR 42 -0.415 -22.523 15.214 370 H VAL 43 HN VAL 43 2.223 -23.203 18.322 371 HA VAL 43 HA VAL 43 3.943 -25.430 17.716 372 HB VAL 43 HB VAL 43 1.782 -25.671 19.825 373 HG11 VAL 43 HG11 VAL 43 3.514 -26.850 21.055 374 HG12 VAL 43 HG12 VAL 43 4.646 -26.568 19.733 375 HG13 VAL 43 HG13 VAL 43 3.215 -27.566 19.470 376 HG21 VAL 43 HG21 VAL 43 3.155 -24.523 21.486 377 HG22 VAL 43 HG22 VAL 43 2.647 -23.407 20.223 378 HG23 VAL 43 HG23 VAL 43 4.298 -24.030 20.241 379 H SER 44 HN SER 44 0.898 -24.634 16.492 380 HA SER 44 HA SER 44 -0.212 -27.303 16.401 381 HB2 SER 44 HB2 SER 44 -1.222 -24.803 14.946 382 HB3 SER 44 HB1 SER 44 -2.165 -26.241 15.332 383 HG SER 44 HG SER 44 -2.697 -24.984 16.979 384 H GLY 45 HN GLY 45 2.352 -26.172 14.861 385 HA2 GLY 45 HA2 GLY 45 3.484 -26.970 13.012 386 HA3 GLY 45 HA1 GLY 45 2.058 -27.873 12.548 387 H ALA 46 HN ALA 46 0.877 -24.838 12.782 388 HA ALA 46 HA ALA 46 1.245 -24.311 9.968 389 HB1 ALA 46 HB1 ALA 46 -0.501 -22.815 11.960 390 HB2 ALA 46 HB2 ALA 46 -1.017 -24.116 10.889 391 HB3 ALA 46 HB3 ALA 46 -0.487 -22.583 10.221 392 H ALA 47 HN ALA 47 2.516 -22.693 9.085 393 HA ALA 47 HA ALA 47 4.106 -20.951 10.897 394 HB1 ALA 47 HB1 ALA 47 5.618 -20.613 8.918 395 HB2 ALA 47 HB2 ALA 47 4.640 -21.734 7.986 396 HB3 ALA 47 HB3 ALA 47 5.504 -22.308 9.404 397 H PHE 48 HN PHE 48 3.844 -18.604 10.605 398 HA PHE 48 HA PHE 48 2.159 -17.815 8.295 399 HB2 PHE 48 HB2 PHE 48 2.201 -16.195 10.867 400 HB3 PHE 48 HB1 PHE 48 0.930 -16.291 9.646 401 HD1 PHE 48 HD2 PHE 48 -0.514 -18.317 9.583 402 HD2 PHE 48 HD1 PHE 48 2.226 -17.544 12.703 403 HE1 PHE 48 HE2 PHE 48 -1.665 -19.937 10.984 404 HE2 PHE 48 HE1 PHE 48 1.105 -19.133 14.125 405 HZ PHE 48 HZ PHE 48 -0.877 -20.367 13.294 406 H ALA 49 HN ALA 49 2.874 -15.779 7.232 407 HA ALA 49 HA ALA 49 5.178 -14.553 8.576 408 HB1 ALA 49 HB1 ALA 49 5.690 -15.637 6.343 409 HB2 ALA 49 HB2 ALA 49 6.242 -13.986 6.561 410 HB3 ALA 49 HB3 ALA 49 4.788 -14.313 5.610 411 H PHE 50 HN PHE 50 5.213 -12.517 9.106 412 HA PHE 50 HA PHE 50 2.950 -10.813 8.559 413 HB2 PHE 50 HB2 PHE 50 4.042 -11.551 10.875 414 HB3 PHE 50 HB1 PHE 50 5.224 -10.300 10.489 415 HD1 PHE 50 HD1 PHE 50 1.588 -10.892 10.936 416 HD2 PHE 50 HD2 PHE 50 4.758 -8.051 11.058 417 HE1 PHE 50 HE1 PHE 50 0.072 -9.259 11.977 418 HE2 PHE 50 HE2 PHE 50 3.243 -6.409 12.095 419 HZ PHE 50 HZ PHE 50 0.900 -7.014 12.558 420 H ILE 51 HN ILE 51 3.365 -9.144 6.878 421 HA ILE 51 HA ILE 51 6.272 -8.469 6.514 422 HB ILE 51 HB ILE 51 4.559 -8.271 4.021 423 HG12 ILE 51 HG12 ILE 51 5.571 -10.454 3.213 424 HG13 ILE 51 HG11 ILE 51 6.161 -10.805 4.809 425 HG21 ILE 51 HG21 ILE 51 7.506 -8.695 4.554 426 HG22 ILE 51 HG22 ILE 51 6.704 -7.180 4.142 427 HG23 ILE 51 HG23 ILE 51 6.759 -8.494 2.970 428 HD11 ILE 51 HD11 ILE 51 4.100 -12.073 4.102 429 HD12 ILE 51 HD12 ILE 51 3.208 -10.556 4.116 430 HD13 ILE 51 HD13 ILE 51 3.904 -11.183 5.607 431 H GLU 52 HN GLU 52 6.603 -6.476 6.965 432 HA GLU 52 HA GLU 52 4.399 -4.524 6.776 433 HB2 GLU 52 HB2 GLU 52 6.063 -5.106 8.800 434 HB3 GLU 52 HB1 GLU 52 6.932 -3.782 8.050 435 HG2 GLU 52 HG2 GLU 52 5.707 -2.398 9.208 436 HG3 GLU 52 HG1 GLU 52 4.316 -2.885 8.257 437 H PHE 53 HN PHE 53 4.418 -3.504 4.726 438 HA PHE 53 HA PHE 53 7.014 -2.465 3.817 439 HB2 PHE 53 HB2 PHE 53 5.786 -2.491 1.471 440 HB3 PHE 53 HB1 PHE 53 6.492 -3.960 2.133 441 HD1 PHE 53 HD2 PHE 53 3.346 -2.028 1.986 442 HD2 PHE 53 HD1 PHE 53 5.155 -5.870 2.431 443 HE1 PHE 53 HE2 PHE 53 1.133 -3.082 1.938 444 HE2 PHE 53 HE1 PHE 53 2.954 -6.918 2.315 445 HZ PHE 53 HZ PHE 53 0.928 -5.522 2.117 446 H GLU 54 HN GLU 54 6.928 -0.490 2.263 447 HA GLU 54 HA GLU 54 5.454 1.573 3.655 448 HB2 GLU 54 HB2 GLU 54 6.957 3.109 2.978 449 HB3 GLU 54 HB1 GLU 54 7.932 1.690 2.738 450 HG2 GLU 54 HG2 GLU 54 7.442 1.777 0.306 451 HG3 GLU 54 HG1 GLU 54 6.519 3.270 0.554 452 H ASP 55 HN ASP 55 4.980 0.088 0.457 453 HA ASP 55 HA ASP 55 2.712 1.942 0.182 454 HB2 ASP 55 HB2 ASP 55 4.622 0.859 -1.686 455 HB3 ASP 55 HB1 ASP 55 3.001 0.560 -2.233 456 H ALA 56 HN ALA 56 0.771 0.917 0.929 457 HA ALA 56 HA ALA 56 0.442 -1.877 0.549 458 HB1 ALA 56 HB1 ALA 56 -2.009 -1.436 1.209 459 HB2 ALA 56 HB2 ALA 56 -1.438 0.180 1.618 460 HB3 ALA 56 HB3 ALA 56 -0.726 -1.228 2.381 461 H ARG 57 HN ARG 57 -0.535 0.710 -1.803 462 HA ARG 57 HA ARG 57 -2.546 -1.199 -2.738 463 HB2 ARG 57 HB2 ARG 57 -3.547 0.290 -4.159 464 HB3 ARG 57 HB1 ARG 57 -3.115 1.313 -2.811 465 HG2 ARG 57 HG2 ARG 57 -1.677 1.124 -5.493 466 HG3 ARG 57 HG1 ARG 57 -2.795 2.392 -5.029 467 HD2 ARG 57 HD2 ARG 57 -0.600 2.320 -3.131 468 HD3 ARG 57 HD1 ARG 57 0.007 2.370 -4.780 469 HE ARG 57 HE ARG 57 -1.869 4.333 -3.639 470 HH11 ARG 57 HH11 ARG 57 0.728 3.527 -5.908 471 HH12 ARG 57 HH12 ARG 57 0.914 5.162 -6.440 472 HH21 ARG 57 HH21 ARG 57 -1.503 6.462 -4.239 473 HH22 ARG 57 HH22 ARG 57 -0.347 6.827 -5.488 474 H ASP 58 HN ASP 58 0.721 -0.193 -3.851 475 HA ASP 58 HA ASP 58 0.631 -1.468 -6.362 476 HB2 ASP 58 HB2 ASP 58 2.600 -0.061 -5.115 477 HB3 ASP 58 HB1 ASP 58 3.292 -1.694 -5.036 478 H ALA 59 HN ALA 59 1.507 -3.051 -3.249 479 HA ALA 59 HA ALA 59 2.125 -5.509 -4.049 480 HB1 ALA 59 HB1 ALA 59 0.588 -4.842 -1.557 481 HB2 ALA 59 HB2 ALA 59 2.327 -4.750 -1.785 482 HB3 ALA 59 HB3 ALA 59 1.503 -6.308 -1.872 483 H ALA 60 HN ALA 60 -1.093 -4.229 -4.384 484 HA ALA 60 HA ALA 60 -2.781 -6.377 -4.153 485 HB1 ALA 60 HB1 ALA 60 -3.758 -4.205 -4.317 486 HB2 ALA 60 HB2 ALA 60 -4.376 -5.150 -5.661 487 HB3 ALA 60 HB3 ALA 60 -3.127 -3.938 -5.942 488 H ASP 61 HN ASP 61 -1.162 -5.492 -7.389 489 HA ASP 61 HA ASP 61 -1.902 -7.647 -8.960 490 HB2 ASP 61 HB2 ASP 61 0.974 -6.665 -8.809 491 HB3 ASP 61 HB1 ASP 61 0.243 -7.621 -10.082 492 H ALA 62 HN ALA 62 0.816 -7.763 -6.633 493 HA ALA 62 HA ALA 62 1.240 -10.491 -7.287 494 HB1 ALA 62 HB1 ALA 62 2.594 -8.959 -5.060 495 HB2 ALA 62 HB2 ALA 62 3.149 -9.055 -6.733 496 HB3 ALA 62 HB3 ALA 62 3.080 -10.503 -5.739 497 H ILE 63 HN ILE 63 -0.598 -8.916 -4.698 498 HA ILE 63 HA ILE 63 -0.740 -11.371 -3.329 499 HB ILE 63 HB ILE 63 -1.234 -8.847 -2.424 500 HG12 ILE 63 HG12 ILE 63 -1.392 -11.668 -1.522 501 HG13 ILE 63 HG11 ILE 63 -0.302 -10.387 -1.017 502 HG21 ILE 63 HG21 ILE 63 -3.835 -10.317 -1.982 503 HG22 ILE 63 HG22 ILE 63 -3.670 -9.169 -3.309 504 HG23 ILE 63 HG23 ILE 63 -3.435 -8.631 -1.651 505 HD11 ILE 63 HD11 ILE 63 -2.940 -11.167 -0.003 506 HD12 ILE 63 HD12 ILE 63 -2.521 -9.466 0.060 507 HD13 ILE 63 HD13 ILE 63 -1.494 -10.657 0.869 508 H LYS 64 HN LYS 64 -3.357 -9.779 -5.315 509 HA LYS 64 HA LYS 64 -4.835 -12.003 -5.585 510 HB2 LYS 64 HB2 LYS 64 -5.605 -11.286 -7.766 511 HB3 LYS 64 HB1 LYS 64 -5.527 -9.945 -6.658 512 HG2 LYS 64 HG2 LYS 64 -4.762 -9.066 -8.723 513 HG3 LYS 64 HG1 LYS 64 -3.288 -9.324 -7.783 514 HD2 LYS 64 HD2 LYS 64 -2.637 -11.154 -9.035 515 HD3 LYS 64 HD1 LYS 64 -4.238 -11.385 -9.758 516 HE2 LYS 64 HE2 LYS 64 -2.910 -8.812 -10.278 517 HE3 LYS 64 HE1 LYS 64 -2.133 -10.231 -10.967 518 HZ1 LYS 64 HZ1 LYS 64 -4.974 -9.481 -11.378 519 HZ2 LYS 64 HZ2 LYS 64 -4.150 -10.766 -12.106 520 HZ3 LYS 64 HZ3 LYS 64 -3.720 -9.173 -12.470 521 H GLU 65 HN GLU 65 -1.665 -11.649 -7.382 522 HA GLU 65 HA GLU 65 -1.968 -14.140 -8.711 523 HB2 GLU 65 HB2 GLU 65 0.213 -13.968 -9.381 524 HB3 GLU 65 HB1 GLU 65 -0.050 -12.307 -8.889 525 HG2 GLU 65 HG2 GLU 65 1.656 -12.459 -7.490 526 HG3 GLU 65 HG1 GLU 65 0.798 -13.686 -6.653 527 H LYS 66 HN LYS 66 -0.780 -13.675 -5.267 528 HA LYS 66 HA LYS 66 -1.301 -16.582 -5.232 529 HB2 LYS 66 HB2 LYS 66 -0.084 -16.881 -3.195 530 HB3 LYS 66 HB1 LYS 66 0.891 -15.974 -4.334 531 HG2 LYS 66 HG2 LYS 66 -0.617 -14.603 -2.074 532 HG3 LYS 66 HG1 LYS 66 0.963 -15.339 -1.817 533 HD2 LYS 66 HD2 LYS 66 0.329 -13.079 -3.729 534 HD3 LYS 66 HD1 LYS 66 1.188 -12.966 -2.190 535 HE2 LYS 66 HE2 LYS 66 2.143 -14.498 -4.630 536 HE3 LYS 66 HE1 LYS 66 2.718 -12.935 -4.103 537 HZ1 LYS 66 HZ1 LYS 66 3.357 -14.007 -1.967 538 HZ2 LYS 66 HZ2 LYS 66 4.249 -14.506 -3.312 539 HZ3 LYS 66 HZ3 LYS 66 3.036 -15.509 -2.680 540 H ASP 67 HN ASP 67 -3.603 -14.566 -5.162 541 HA ASP 67 HA ASP 67 -4.706 -14.932 -2.536 542 HB2 ASP 67 HB2 ASP 67 -6.157 -13.367 -2.626 543 HB3 ASP 67 HB1 ASP 67 -5.085 -12.723 -3.820 544 H GLY 68 HN GLY 68 -7.177 -15.605 -2.312 545 HA2 GLY 68 HA2 GLY 68 -8.562 -17.470 -3.112 546 HA3 GLY 68 HA1 GLY 68 -7.099 -18.152 -3.797 547 H CYS 69 HN CYS 69 -7.298 -16.723 -0.537 548 HA CYS 69 HA CYS 69 -5.810 -18.593 0.740 549 HB2 CYS 69 HB2 CYS 69 -7.671 -17.677 2.661 550 HB3 CYS 69 HB1 CYS 69 -6.144 -16.908 2.257 551 HG CYS 69 HG CYS 69 -8.426 -15.128 2.393 552 H ASP 70 HN ASP 70 -6.119 -20.688 1.325 553 HA ASP 70 HA ASP 70 -8.864 -21.630 1.591 554 HB2 ASP 70 HB2 ASP 70 -7.544 -22.075 -0.685 555 HB3 ASP 70 HB1 ASP 70 -6.858 -23.407 0.248 556 H PHE 71 HN PHE 71 -9.060 -23.698 2.755 557 HA PHE 71 HA PHE 71 -7.091 -24.447 4.641 558 HB2 PHE 71 HB2 PHE 71 -8.133 -22.271 5.540 559 HB3 PHE 71 HB1 PHE 71 -9.635 -23.171 5.687 560 HD1 PHE 71 HD2 PHE 71 -6.089 -24.053 6.470 561 HD2 PHE 71 HD1 PHE 71 -10.057 -23.511 7.913 562 HE1 PHE 71 HE2 PHE 71 -5.388 -24.848 8.684 563 HE2 PHE 71 HE1 PHE 71 -9.362 -24.311 10.130 564 HZ PHE 71 HZ PHE 71 -7.021 -24.972 10.520 565 H GLU 72 HN GLU 72 -7.697 -26.521 5.444 566 HA GLU 72 HA GLU 72 -8.736 -28.550 5.476 567 HB2 GLU 72 HB2 GLU 72 -11.337 -27.450 4.350 568 HB3 GLU 72 HB1 GLU 72 -11.104 -28.912 5.263 569 HG2 GLU 72 HG2 GLU 72 -10.774 -27.512 7.334 570 HG3 GLU 72 HG1 GLU 72 -11.106 -26.085 6.349 571 H GLY 73 HN GLY 73 -7.118 -28.643 3.652 572 HA2 GLY 73 HA2 GLY 73 -6.804 -30.419 2.123 573 HA3 GLY 73 HA1 GLY 73 -8.450 -30.231 1.580 574 H ASN 74 HN ASN 74 -7.944 -27.201 1.013 575 HA ASN 74 HA ASN 74 -5.451 -27.540 -0.594 576 HB2 ASN 74 HB2 ASN 74 -7.247 -25.045 -1.016 577 HB3 ASN 74 HB1 ASN 74 -5.896 -25.611 -1.962 578 HD21 ASN 74 HD21 ASN 74 -8.766 -25.022 -2.514 579 HD22 ASN 74 HD22 ASN 74 -9.308 -26.392 -3.425 580 H LYS 75 HN LYS 75 -3.607 -26.693 0.312 581 HA LYS 75 HA LYS 75 -4.186 -25.162 2.808 582 HB2 LYS 75 HB2 LYS 75 -2.524 -27.364 2.627 583 HB3 LYS 75 HB1 LYS 75 -1.361 -26.065 2.383 584 HG2 LYS 75 HG2 LYS 75 -1.495 -26.882 4.703 585 HG3 LYS 75 HG1 LYS 75 -1.813 -25.164 4.548 586 HD2 LYS 75 HD2 LYS 75 -3.326 -26.137 6.180 587 HD3 LYS 75 HD1 LYS 75 -4.251 -25.604 4.792 588 HE2 LYS 75 HE2 LYS 75 -4.980 -27.778 5.779 589 HE3 LYS 75 HE1 LYS 75 -4.617 -27.871 4.078 590 HZ1 LYS 75 HZ1 LYS 75 -2.867 -28.783 6.297 591 HZ2 LYS 75 HZ2 LYS 75 -2.431 -28.818 4.661 592 HZ3 LYS 75 HZ3 LYS 75 -3.716 -29.770 5.214 593 H LEU 76 HN LEU 76 -4.238 -22.812 2.303 594 HA LEU 76 HA LEU 76 -1.862 -21.603 1.247 595 HB2 LEU 76 HB2 LEU 76 -2.667 -22.700 -0.845 596 HB3 LEU 76 HB1 LEU 76 -4.159 -21.792 -0.743 597 HG LEU 76 HG LEU 76 -2.603 -19.735 -0.774 598 HD11 LEU 76 HD11 LEU 76 -0.591 -20.026 -2.099 599 HD12 LEU 76 HD12 LEU 76 -0.832 -21.770 -2.087 600 HD13 LEU 76 HD13 LEU 76 -0.503 -20.915 -0.580 601 HD21 LEU 76 HD21 LEU 76 -3.170 -21.364 -3.237 602 HD22 LEU 76 HD22 LEU 76 -2.759 -19.649 -3.218 603 HD23 LEU 76 HD23 LEU 76 -4.253 -20.204 -2.464 604 H ARG 77 HN ARG 77 -2.755 -20.228 3.398 605 HA ARG 77 HA ARG 77 -5.127 -18.664 2.688 606 HB2 ARG 77 HB2 ARG 77 -5.155 -19.865 4.808 607 HB3 ARG 77 HB1 ARG 77 -3.635 -19.165 5.295 608 HG2 ARG 77 HG2 ARG 77 -6.169 -17.531 5.061 609 HG3 ARG 77 HG1 ARG 77 -5.705 -18.390 6.517 610 HD2 ARG 77 HD2 ARG 77 -3.501 -17.030 6.340 611 HD3 ARG 77 HD1 ARG 77 -4.404 -15.989 5.254 612 HE ARG 77 HE ARG 77 -4.594 -15.973 8.050 613 HH11 ARG 77 HH11 ARG 77 -6.652 -15.688 5.226 614 HH12 ARG 77 HH12 ARG 77 -7.840 -14.702 6.019 615 HH21 ARG 77 HH22 ARG 77 -6.146 -14.637 9.098 616 HH22 ARG 77 HH21 ARG 77 -7.545 -14.104 8.222 617 H VAL 78 HN VAL 78 -4.617 -16.578 1.602 618 HA VAL 78 HA VAL 78 -2.417 -15.111 2.922 619 HB VAL 78 HB VAL 78 -2.747 -14.894 -0.174 620 HG11 VAL 78 HG11 VAL 78 -1.876 -12.912 0.825 621 HG12 VAL 78 HG12 VAL 78 -0.506 -13.801 0.153 622 HG13 VAL 78 HG13 VAL 78 -0.821 -13.819 1.894 623 HG21 VAL 78 HG21 VAL 78 -1.043 -16.695 1.563 624 HG22 VAL 78 HG22 VAL 78 -0.260 -15.870 0.215 625 HG23 VAL 78 HG23 VAL 78 -1.613 -16.948 -0.086 626 H GLU 79 HN GLU 79 -3.285 -13.135 3.844 627 HA GLU 79 HA GLU 79 -5.566 -11.907 2.506 628 HB2 GLU 79 HB2 GLU 79 -6.433 -13.348 4.194 629 HB3 GLU 79 HB1 GLU 79 -5.241 -12.835 5.366 630 HG2 GLU 79 HG2 GLU 79 -6.449 -10.894 5.925 631 HG3 GLU 79 HG1 GLU 79 -7.386 -10.930 4.419 632 H VAL 80 HN VAL 80 -5.144 -9.699 2.140 633 HA VAL 80 HA VAL 80 -3.399 -8.217 3.782 634 HB VAL 80 HB VAL 80 -4.579 -6.190 2.876 635 HG11 VAL 80 HG11 VAL 80 -3.811 -6.441 0.636 636 HG12 VAL 80 HG12 VAL 80 -3.995 -8.192 0.713 637 HG13 VAL 80 HG13 VAL 80 -2.745 -7.396 1.664 638 HG21 VAL 80 HG21 VAL 80 -6.844 -7.112 2.672 639 HG22 VAL 80 HG22 VAL 80 -6.286 -8.195 1.396 640 HG23 VAL 80 HG23 VAL 80 -6.270 -6.451 1.140 641 HA PRO 81 HA PRO 81 -6.306 -7.488 7.186 642 HB2 PRO 81 HB2 PRO 81 -4.454 -6.852 9.058 643 HB3 PRO 81 HB1 PRO 81 -4.792 -8.530 8.597 644 HG2 PRO 81 HG2 PRO 81 -2.476 -6.844 7.962 645 HG3 PRO 81 HG1 PRO 81 -2.599 -8.607 8.060 646 HD2 PRO 81 HD2 PRO 81 -2.619 -7.004 5.713 647 HD3 PRO 81 HD1 PRO 81 -2.865 -8.756 5.827 648 H PHE 82 HN PHE 82 -5.195 -5.478 5.076 649 HA PHE 82 HA PHE 82 -5.779 -3.143 6.729 650 HB2 PHE 82 HB2 PHE 82 -4.385 -1.787 5.013 651 HB3 PHE 82 HB1 PHE 82 -3.540 -2.682 6.258 652 HD1 PHE 82 HD1 PHE 82 -4.480 -2.775 2.651 653 HD2 PHE 82 HD2 PHE 82 -1.841 -4.198 5.678 654 HE1 PHE 82 HE1 PHE 82 -3.025 -3.731 0.929 655 HE2 PHE 82 HE2 PHE 82 -0.363 -5.164 3.966 656 HZ PHE 82 HZ PHE 82 -0.974 -4.935 1.581 657 H ASN 83 HN ASN 83 -5.750 -4.253 3.376 658 HA ASN 83 HA ASN 83 -6.967 -3.746 1.529 659 HB2 ASN 83 HB2 ASN 83 -8.678 -5.085 3.150 660 HB3 ASN 83 HB1 ASN 83 -9.541 -3.557 3.045 661 HD21 ASN 83 HD21 ASN 83 -10.305 -2.866 0.995 662 HD22 ASN 83 HD22 ASN 83 -10.536 -4.000 -0.296 663 H ALA 84 HN ALA 84 -5.808 -1.325 2.263 664 HA ALA 84 HA ALA 84 -7.746 0.676 1.610 665 HB1 ALA 84 HB1 ALA 84 -7.707 1.966 3.670 666 HB2 ALA 84 HB2 ALA 84 -6.581 0.829 4.408 667 HB3 ALA 84 HB3 ALA 84 -8.233 0.324 4.043 668 H ARG 85 HN ARG 85 -6.712 2.718 0.983 669 HA ARG 85 HA ARG 85 -4.252 3.757 1.539 670 HB2 ARG 85 HB2 ARG 85 -3.192 1.633 0.708 671 HB3 ARG 85 HB1 ARG 85 -3.925 1.887 -0.864 672 HG2 ARG 85 HG2 ARG 85 -1.676 2.551 -1.071 673 HG3 ARG 85 HG1 ARG 85 -2.613 4.035 -1.005 674 HD2 ARG 85 HD2 ARG 85 -1.981 4.449 1.238 675 HD3 ARG 85 HD1 ARG 85 -1.282 2.837 1.411 676 HE ARG 85 HE ARG 85 -0.157 4.717 -0.547 677 HH11 ARG 85 HH12 ARG 85 0.226 2.893 2.443 678 HH12 ARG 85 HH11 ARG 85 1.939 3.146 2.513 679 HH21 ARG 85 HH21 ARG 85 2.097 4.983 -0.463 680 HH22 ARG 85 HH22 ARG 85 2.992 4.327 0.866 681 H GLU 86 HN GLU 86 -3.833 5.622 0.298 682 HA GLU 86 HA GLU 86 -5.606 6.110 -1.985 683 HB2 GLU 86 HB2 GLU 86 -5.231 7.725 0.109 684 HB3 GLU 86 HB1 GLU 86 -3.809 8.203 -0.807 685 HG2 GLU 86 HG2 GLU 86 -6.595 8.297 -1.984 686 HG3 GLU 86 HG1 GLU 86 -5.885 9.641 -1.097 Start of MODEL 7 1 H1 GLY -2 HT1 GLY -2 -13.893 -2.879 -1.680 2 H2 GLY -2 HT2 GLY -2 -14.725 -1.506 -2.215 3 H3 GLY -2 HT3 GLY -2 -15.080 -2.175 -0.703 4 HA2 GLY -2 HA1 GLY -2 -12.883 -1.620 0.108 5 HA3 GLY -2 HA2 GLY -2 -12.492 -0.942 -1.460 6 H SER -1 HN SER -1 -12.987 1.122 -1.873 7 HA SER -1 HA SER -1 -13.859 3.183 -1.845 8 HB2 SER -1 HB2 SER -1 -16.141 1.901 -0.342 9 HB3 SER -1 HB1 SER -1 -16.188 3.492 -1.103 10 HG SER -1 HG SER -1 -16.979 2.186 -2.647 11 H HIS 0 HN HIS 0 -11.953 2.666 0.180 12 HA HIS 0 HA HIS 0 -12.555 4.943 1.895 13 HB2 HIS 0 HB2 HIS 0 -12.333 2.195 2.895 14 HB3 HIS 0 HB1 HIS 0 -11.217 3.310 3.671 15 HD1 HIS 0 HD1 HIS 0 -14.470 2.005 4.089 16 HD2 HIS 0 HD2 HIS 0 -12.781 5.773 4.562 17 HE1 HIS 0 HE1 HIS 0 -16.026 3.254 5.618 18 HE2 HIS 0 HE2 HIS 0 -14.892 5.466 6.026 19 H MET 1 HN MET 1 -10.600 5.866 2.857 20 HA MET 1 HA MET 1 -8.032 4.714 2.332 21 HB2 MET 1 HB2 MET 1 -7.144 6.756 1.086 22 HB3 MET 1 HB1 MET 1 -8.147 5.655 0.162 23 HG2 MET 1 HG2 MET 1 -10.059 7.207 0.491 24 HG3 MET 1 HG1 MET 1 -8.963 8.329 1.290 25 HE1 MET 1 HE1 MET 1 -10.136 6.718 -2.027 26 HE2 MET 1 HE2 MET 1 -8.505 6.046 -1.982 27 HE3 MET 1 HE3 MET 1 -8.931 7.248 -3.200 28 H VAL 2 HN VAL 2 -7.561 4.832 4.488 29 HA VAL 2 HA VAL 2 -6.569 7.319 5.457 30 HB VAL 2 HB VAL 2 -8.885 7.771 6.021 31 HG11 VAL 2 HG11 VAL 2 -8.913 5.207 7.612 32 HG12 VAL 2 HG12 VAL 2 -9.808 5.518 6.123 33 HG13 VAL 2 HG13 VAL 2 -10.192 6.420 7.590 34 HG21 VAL 2 HG21 VAL 2 -8.707 8.147 8.430 35 HG22 VAL 2 HG22 VAL 2 -7.218 8.569 7.583 36 HG23 VAL 2 HG23 VAL 2 -7.322 7.061 8.488 37 H ILE 3 HN ILE 3 -4.643 6.698 6.226 38 HA ILE 3 HA ILE 3 -4.446 4.930 8.454 39 HB ILE 3 HB ILE 3 -4.523 3.168 6.791 40 HG12 ILE 3 HG12 ILE 3 -1.659 3.499 7.709 41 HG13 ILE 3 HG11 ILE 3 -2.979 2.938 8.734 42 HG21 ILE 3 HG21 ILE 3 -2.924 2.896 4.961 43 HG22 ILE 3 HG22 ILE 3 -2.182 4.446 5.354 44 HG23 ILE 3 HG23 ILE 3 -3.847 4.390 4.778 45 HD11 ILE 3 HD11 ILE 3 -3.279 1.010 7.241 46 HD12 ILE 3 HD12 ILE 3 -1.666 1.076 7.955 47 HD13 ILE 3 HD13 ILE 3 -1.909 1.566 6.276 48 H ARG 4 HN ARG 4 -2.924 5.827 9.809 49 HA ARG 4 HA ARG 4 -0.377 6.705 8.644 50 HB2 ARG 4 HB2 ARG 4 -2.149 8.284 10.499 51 HB3 ARG 4 HB1 ARG 4 -0.406 8.477 10.567 52 HG2 ARG 4 HG2 ARG 4 -0.517 9.973 8.878 53 HG3 ARG 4 HG1 ARG 4 -1.230 8.731 7.841 54 HD2 ARG 4 HD2 ARG 4 -3.401 9.361 8.362 55 HD3 ARG 4 HD1 ARG 4 -2.915 10.165 9.854 56 HE ARG 4 HE ARG 4 -2.619 11.222 7.136 57 HH11 ARG 4 HH11 ARG 4 -2.372 11.718 10.617 58 HH12 ARG 4 HH12 ARG 4 -2.250 13.440 10.480 59 HH21 ARG 4 HH22 ARG 4 -2.524 13.509 6.997 60 HH22 ARG 4 HH21 ARG 4 -2.332 14.449 8.441 61 H GLU 5 HN GLU 5 1.321 5.723 9.870 62 HA GLU 5 HA GLU 5 2.549 5.201 11.729 63 HB2 GLU 5 HB2 GLU 5 0.263 6.608 12.992 64 HB3 GLU 5 HB1 GLU 5 1.051 5.441 14.025 65 HG2 GLU 5 HG2 GLU 5 3.186 6.659 13.825 66 HG3 GLU 5 HG1 GLU 5 2.464 7.801 12.686 67 H SER 6 HN SER 6 0.112 3.472 10.563 68 HA SER 6 HA SER 6 -0.161 1.642 12.816 69 HB2 SER 6 HB2 SER 6 -2.211 2.561 11.669 70 HB3 SER 6 HB1 SER 6 -1.771 1.602 10.256 71 HG SER 6 HG SER 6 -1.758 0.123 12.531 72 H VAL 7 HN VAL 7 1.529 1.939 9.990 73 HA VAL 7 HA VAL 7 2.922 0.767 8.729 74 HB VAL 7 HB VAL 7 4.346 -0.907 9.526 75 HG11 VAL 7 HG11 VAL 7 5.034 -0.109 11.723 76 HG12 VAL 7 HG12 VAL 7 3.518 0.781 11.846 77 HG13 VAL 7 HG13 VAL 7 4.672 1.179 10.573 78 HG21 VAL 7 HG21 VAL 7 3.299 -2.804 10.381 79 HG22 VAL 7 HG22 VAL 7 2.255 -1.910 11.476 80 HG23 VAL 7 HG23 VAL 7 3.969 -2.076 11.833 81 H SER 8 HN SER 8 2.523 -0.073 6.834 82 HA SER 8 HA SER 8 0.186 -1.663 6.392 83 HB2 SER 8 HB2 SER 8 2.423 -0.682 4.578 84 HB3 SER 8 HB1 SER 8 0.994 -1.489 3.955 85 HG SER 8 HG SER 8 0.574 0.647 5.678 86 H ARG 9 HN ARG 9 0.023 -3.905 6.488 87 HA ARG 9 HA ARG 9 2.443 -5.436 5.816 88 HB2 ARG 9 HB2 ARG 9 1.951 -6.996 7.893 89 HB3 ARG 9 HB1 ARG 9 2.994 -5.605 8.017 90 HG2 ARG 9 HG2 ARG 9 1.489 -5.900 9.964 91 HG3 ARG 9 HG1 ARG 9 1.333 -4.330 9.172 92 HD2 ARG 9 HD2 ARG 9 -0.789 -4.816 8.334 93 HD3 ARG 9 HD1 ARG 9 -0.569 -6.553 8.469 94 HE ARG 9 HE ARG 9 -1.157 -6.451 10.707 95 HH11 ARG 9 HH11 ARG 9 -1.023 -3.187 9.381 96 HH12 ARG 9 HH12 ARG 9 -1.870 -2.484 10.718 97 HH21 ARG 9 HH21 ARG 9 -2.273 -5.534 12.435 98 HH22 ARG 9 HH22 ARG 9 -2.587 -3.830 12.467 99 H ILE 10 HN ILE 10 2.073 -7.925 5.487 100 HA ILE 10 HA ILE 10 -0.762 -8.351 4.744 101 HB ILE 10 HB ILE 10 1.702 -9.744 3.607 102 HG12 ILE 10 HG12 ILE 10 -0.130 -7.745 2.320 103 HG13 ILE 10 HG11 ILE 10 1.611 -7.697 2.447 104 HG21 ILE 10 HG21 ILE 10 0.351 -11.120 2.176 105 HG22 ILE 10 HG22 ILE 10 -1.120 -10.288 2.656 106 HG23 ILE 10 HG23 ILE 10 -0.261 -11.299 3.818 107 HD11 ILE 10 HD11 ILE 10 -0.094 -9.252 0.520 108 HD12 ILE 10 HD12 ILE 10 1.538 -9.763 0.878 109 HD13 ILE 10 HD13 ILE 10 1.254 -8.167 0.198 110 H TYR 11 HN TYR 11 -1.815 -10.035 5.571 111 HA TYR 11 HA TYR 11 -0.524 -11.555 7.734 112 HB2 TYR 11 HB2 TYR 11 -2.762 -10.369 7.985 113 HB3 TYR 11 HB1 TYR 11 -3.443 -11.521 6.843 114 HD1 TYR 11 HD2 TYR 11 -3.800 -13.880 7.525 115 HD2 TYR 11 HD1 TYR 11 -2.296 -10.976 10.252 116 HE1 TYR 11 HE2 TYR 11 -4.374 -15.355 9.401 117 HE2 TYR 11 HE1 TYR 11 -2.869 -12.449 12.140 118 HH TYR 11 HH TYR 11 -4.388 -14.319 12.638 119 H VAL 12 HN VAL 12 0.428 -13.686 7.081 120 HA VAL 12 HA VAL 12 -1.134 -15.100 5.014 121 HB VAL 12 HB VAL 12 1.945 -14.842 5.204 122 HG11 VAL 12 HG11 VAL 12 1.461 -17.243 4.916 123 HG12 VAL 12 HG12 VAL 12 2.243 -16.525 3.512 124 HG13 VAL 12 HG13 VAL 12 0.523 -16.882 3.464 125 HG21 VAL 12 HG21 VAL 12 0.889 -13.182 3.850 126 HG22 VAL 12 HG22 VAL 12 -0.004 -14.405 2.955 127 HG23 VAL 12 HG23 VAL 12 1.748 -14.320 2.817 128 H GLY 13 HN GLY 13 -2.127 -16.829 5.970 129 HA2 GLY 13 HA2 GLY 13 -0.390 -18.330 7.887 130 HA3 GLY 13 HA1 GLY 13 -2.126 -18.200 8.100 131 H ASN 14 HN ASN 14 -1.109 -20.710 8.200 132 HA ASN 14 HA ASN 14 -1.206 -22.831 7.287 133 HB2 ASN 14 HB2 ASN 14 -3.463 -21.448 5.871 134 HB3 ASN 14 HB1 ASN 14 -3.227 -23.188 5.830 135 HD21 ASN 14 HD21 ASN 14 -5.333 -21.360 6.991 136 HD22 ASN 14 HD22 ASN 14 -5.515 -21.882 8.629 137 H LEU 15 HN LEU 15 0.691 -21.074 5.657 138 HA LEU 15 HA LEU 15 0.104 -21.602 2.915 139 HB2 LEU 15 HB2 LEU 15 1.784 -20.104 2.390 140 HB3 LEU 15 HB1 LEU 15 1.256 -19.531 3.961 141 HG LEU 15 HG LEU 15 3.426 -21.386 4.316 142 HD11 LEU 15 HD11 LEU 15 4.006 -19.066 2.483 143 HD12 LEU 15 HD12 LEU 15 3.997 -20.766 2.004 144 HD13 LEU 15 HD13 LEU 15 5.177 -20.187 3.176 145 HD21 LEU 15 HD21 LEU 15 3.290 -18.404 4.726 146 HD22 LEU 15 HD22 LEU 15 4.433 -19.515 5.477 147 HD23 LEU 15 HD23 LEU 15 2.718 -19.601 5.885 148 HA PRO 16 HA PRO 16 2.546 -25.345 2.490 149 HB2 PRO 16 HB2 PRO 16 2.574 -25.428 -0.273 150 HB3 PRO 16 HB1 PRO 16 1.197 -25.928 0.724 151 HG2 PRO 16 HG2 PRO 16 1.625 -23.445 -0.815 152 HG3 PRO 16 HG1 PRO 16 0.130 -24.345 -0.497 153 HD2 PRO 16 HD2 PRO 16 0.886 -22.039 0.797 154 HD3 PRO 16 HD1 PRO 16 -0.275 -23.224 1.417 155 H SER 17 HN SER 17 4.800 -25.767 2.344 156 HA SER 17 HA SER 17 6.908 -25.798 1.571 157 HB2 SER 17 HB2 SER 17 7.846 -24.576 -0.163 158 HB3 SER 17 HB1 SER 17 6.154 -24.607 -0.635 159 HG SER 17 HG SER 17 7.756 -22.494 -0.039 160 H HIS 18 HN HIS 18 5.535 -22.902 2.904 161 HA HIS 18 HA HIS 18 6.071 -21.615 4.659 162 HB2 HIS 18 HB2 HIS 18 6.558 -23.566 5.938 163 HB3 HIS 18 HB1 HIS 18 8.115 -23.735 5.161 164 HD1 HIS 18 HD1 HIS 18 6.365 -21.277 7.478 165 HD2 HIS 18 HD2 HIS 18 10.151 -22.760 6.636 166 HE1 HIS 18 HE1 HIS 18 7.880 -20.289 9.224 167 HE2 HIS 18 HE2 HIS 18 10.184 -21.144 8.649 168 H VAL 19 HN VAL 19 6.659 -19.677 3.992 169 HA VAL 19 HA VAL 19 8.991 -19.323 2.334 170 HB VAL 19 HB VAL 19 8.176 -16.829 2.309 171 HG11 VAL 19 HG11 VAL 19 6.285 -17.314 0.840 172 HG12 VAL 19 HG12 VAL 19 6.322 -18.995 1.362 173 HG13 VAL 19 HG13 VAL 19 7.684 -18.317 0.474 174 HG21 VAL 19 HG21 VAL 19 5.909 -16.411 3.047 175 HG22 VAL 19 HG22 VAL 19 6.930 -16.876 4.406 176 HG23 VAL 19 HG23 VAL 19 5.817 -18.046 3.706 177 H SER 20 HN SER 20 11.115 -19.145 3.273 178 HA SER 20 HA SER 20 11.436 -18.427 6.017 179 HB2 SER 20 HB2 SER 20 13.975 -18.384 4.556 180 HB3 SER 20 HB1 SER 20 13.383 -19.546 5.741 181 HG SER 20 HG SER 20 13.106 -19.586 2.932 182 H SER 21 HN SER 21 12.687 -16.517 6.943 183 HA SER 21 HA SER 21 11.835 -14.099 6.113 184 HB2 SER 21 HB2 SER 21 12.837 -14.547 8.296 185 HB3 SER 21 HB1 SER 21 14.429 -14.619 7.548 186 HG SER 21 HG SER 21 12.709 -12.390 7.819 187 H ARG 22 HN ARG 22 15.143 -15.294 5.202 188 HA ARG 22 HA ARG 22 15.700 -13.191 3.559 189 HB2 ARG 22 HB2 ARG 22 17.600 -14.184 3.568 190 HB3 ARG 22 HB1 ARG 22 16.969 -15.747 3.941 191 HG2 ARG 22 HG2 ARG 22 16.938 -14.779 1.101 192 HG3 ARG 22 HG1 ARG 22 18.451 -15.287 1.838 193 HD2 ARG 22 HD2 ARG 22 16.506 -17.205 2.516 194 HD3 ARG 22 HD1 ARG 22 16.381 -16.908 0.785 195 HE ARG 22 HE ARG 22 18.804 -17.373 0.687 196 HH11 ARG 22 HH12 ARG 22 16.965 -18.651 3.409 197 HH12 ARG 22 HH11 ARG 22 18.069 -19.943 3.699 198 HH21 ARG 22 HH21 ARG 22 20.233 -19.072 1.066 199 HH22 ARG 22 HH22 ARG 22 19.944 -20.192 2.355 200 H ASP 23 HN ASP 23 13.723 -16.007 2.376 201 HA ASP 23 HA ASP 23 13.511 -15.018 -0.263 202 HB2 ASP 23 HB2 ASP 23 11.295 -16.741 0.867 203 HB3 ASP 23 HB1 ASP 23 11.821 -16.622 -0.789 204 H VAL 24 HN VAL 24 11.429 -14.323 2.718 205 HA VAL 24 HA VAL 24 9.572 -12.786 1.264 206 HB VAL 24 HB VAL 24 10.042 -11.932 4.080 207 HG11 VAL 24 HG11 VAL 24 8.305 -11.039 2.669 208 HG12 VAL 24 HG12 VAL 24 7.725 -11.777 4.164 209 HG13 VAL 24 HG13 VAL 24 7.576 -12.645 2.636 210 HG21 VAL 24 HG21 VAL 24 9.322 -14.750 3.465 211 HG22 VAL 24 HG22 VAL 24 8.274 -13.874 4.574 212 HG23 VAL 24 HG23 VAL 24 9.984 -14.047 4.946 213 H GLU 25 HN GLU 25 12.629 -11.756 2.912 214 HA GLU 25 HA GLU 25 12.413 -9.105 2.359 215 HB2 GLU 25 HB2 GLU 25 14.338 -10.587 3.613 216 HB3 GLU 25 HB1 GLU 25 15.175 -10.208 2.115 217 HG2 GLU 25 HG2 GLU 25 15.780 -8.250 3.085 218 HG3 GLU 25 HG1 GLU 25 14.086 -7.768 3.019 219 H ASN 26 HN ASN 26 14.047 -11.588 0.091 220 HA ASN 26 HA ASN 26 14.322 -9.453 -1.749 221 HB2 ASN 26 HB2 ASN 26 15.306 -12.160 -1.689 222 HB3 ASN 26 HB1 ASN 26 14.771 -11.687 -3.300 223 HD21 ASN 26 HD21 ASN 26 16.829 -11.605 -4.093 224 HD22 ASN 26 HD22 ASN 26 17.951 -10.367 -3.660 225 H GLU 27 HN GLU 27 12.213 -12.457 -2.157 226 HA GLU 27 HA GLU 27 11.040 -11.461 -4.465 227 HB2 GLU 27 HB2 GLU 27 10.893 -13.826 -3.428 228 HB3 GLU 27 HB1 GLU 27 9.484 -13.225 -2.601 229 HG2 GLU 27 HG2 GLU 27 8.395 -12.782 -4.799 230 HG3 GLU 27 HG1 GLU 27 9.815 -13.459 -5.599 231 H PHE 28 HN PHE 28 9.875 -10.744 -1.020 232 HA PHE 28 HA PHE 28 7.911 -9.148 -2.359 233 HB2 PHE 28 HB2 PHE 28 8.326 -9.588 0.574 234 HB3 PHE 28 HB1 PHE 28 7.260 -8.330 -0.004 235 HD1 PHE 28 HD2 PHE 28 5.196 -8.976 -1.326 236 HD2 PHE 28 HD1 PHE 28 7.579 -11.942 0.651 237 HE1 PHE 28 HE2 PHE 28 3.390 -10.594 -1.533 238 HE2 PHE 28 HE1 PHE 28 5.711 -13.511 0.433 239 HZ PHE 28 HZ PHE 28 3.615 -12.831 -0.607 240 H ARG 29 HN ARG 29 11.163 -8.327 -1.088 241 HA ARG 29 HA ARG 29 10.933 -5.552 -1.248 242 HB2 ARG 29 HB2 ARG 29 13.234 -5.162 -1.561 243 HB3 ARG 29 HB1 ARG 29 13.084 -6.490 -0.437 244 HG2 ARG 29 HG2 ARG 29 14.808 -7.283 -1.675 245 HG3 ARG 29 HG1 ARG 29 13.497 -7.894 -2.690 246 HD2 ARG 29 HD2 ARG 29 14.665 -6.939 -4.353 247 HD3 ARG 29 HD1 ARG 29 13.998 -5.401 -3.812 248 HE ARG 29 HE ARG 29 16.330 -5.989 -2.345 249 HH11 ARG 29 HH11 ARG 29 15.374 -5.103 -5.608 250 HH12 ARG 29 HH12 ARG 29 16.873 -4.315 -5.979 251 HH21 ARG 29 HH22 ARG 29 18.329 -4.978 -2.842 252 HH22 ARG 29 HH21 ARG 29 18.565 -4.251 -4.398 253 H LYS 30 HN LYS 30 11.142 -7.778 -4.075 254 HA LYS 30 HA LYS 30 11.185 -5.315 -5.642 255 HB2 LYS 30 HB2 LYS 30 10.706 -6.365 -7.734 256 HB3 LYS 30 HB1 LYS 30 11.947 -7.313 -6.972 257 HG2 LYS 30 HG2 LYS 30 10.737 -9.136 -7.302 258 HG3 LYS 30 HG1 LYS 30 9.396 -8.481 -6.357 259 HD2 LYS 30 HD2 LYS 30 9.825 -7.876 -9.290 260 HD3 LYS 30 HD1 LYS 30 8.817 -9.190 -8.708 261 HE2 LYS 30 HE2 LYS 30 7.247 -7.565 -7.678 262 HE3 LYS 30 HE1 LYS 30 8.308 -6.230 -8.177 263 HZ1 LYS 30 HZ1 LYS 30 6.501 -6.546 -9.735 264 HZ2 LYS 30 HZ2 LYS 30 6.962 -8.148 -10.002 265 HZ3 LYS 30 HZ3 LYS 30 7.974 -6.888 -10.500 266 H TYR 31 HN TYR 31 8.509 -7.055 -4.274 267 HA TYR 31 HA TYR 31 6.740 -6.133 -6.312 268 HB2 TYR 31 HB2 TYR 31 6.578 -7.862 -3.888 269 HB3 TYR 31 HB1 TYR 31 5.076 -7.212 -4.475 270 HD1 TYR 31 HD1 TYR 31 4.471 -7.775 -7.076 271 HD2 TYR 31 HD2 TYR 31 7.418 -9.878 -4.791 272 HE1 TYR 31 HE1 TYR 31 4.464 -9.642 -8.705 273 HE2 TYR 31 HE2 TYR 31 7.372 -11.704 -6.407 274 HH TYR 31 HH TYR 31 5.642 -12.570 -8.186 275 H GLY 32 HN GLY 32 6.711 -5.290 -2.695 276 HA2 GLY 32 HA2 GLY 32 6.671 -2.565 -3.764 277 HA3 GLY 32 HA1 GLY 32 5.877 -2.985 -2.243 278 H ASN 33 HN ASN 33 7.574 -1.038 -1.630 279 HA ASN 33 HA ASN 33 10.232 -2.203 -1.307 280 HB2 ASN 33 HB2 ASN 33 9.386 0.567 -0.389 281 HB3 ASN 33 HB1 ASN 33 10.991 -0.102 -0.316 282 HD21 ASN 33 HD21 ASN 33 8.540 1.230 -2.368 283 HD22 ASN 33 HD22 ASN 33 9.554 1.420 -3.757 284 H ILE 34 HN ILE 34 10.121 -3.836 0.245 285 HA ILE 34 HA ILE 34 8.617 -3.421 2.618 286 HB ILE 34 HB ILE 34 8.455 -5.651 2.450 287 HG12 ILE 34 HG12 ILE 34 9.944 -5.228 4.565 288 HG13 ILE 34 HG11 ILE 34 9.598 -6.858 4.024 289 HG21 ILE 34 HG21 ILE 34 10.172 -7.101 1.421 290 HG22 ILE 34 HG22 ILE 34 11.148 -5.659 1.132 291 HG23 ILE 34 HG23 ILE 34 9.554 -5.815 0.390 292 HD11 ILE 34 HD11 ILE 34 11.890 -6.789 2.900 293 HD12 ILE 34 HD12 ILE 34 11.849 -6.849 4.648 294 HD13 ILE 34 HD13 ILE 34 12.194 -5.325 3.834 295 H LEU 35 HN LEU 35 9.200 -3.177 4.839 296 HA LEU 35 HA LEU 35 11.864 -2.051 5.216 297 HB2 LEU 35 HB2 LEU 35 9.224 -1.070 6.291 298 HB3 LEU 35 HB1 LEU 35 10.675 -0.852 7.244 299 HG LEU 35 HG LEU 35 11.704 0.439 5.415 300 HD11 LEU 35 HD11 LEU 35 9.065 0.213 3.985 301 HD12 LEU 35 HD12 LEU 35 10.589 -0.510 3.469 302 HD13 LEU 35 HD13 LEU 35 10.422 1.243 3.528 303 HD21 LEU 35 HD21 LEU 35 8.997 1.424 6.240 304 HD22 LEU 35 HD22 LEU 35 10.300 2.411 5.580 305 HD23 LEU 35 HD23 LEU 35 10.505 1.605 7.136 306 H LYS 36 HN LYS 36 9.623 -4.488 6.169 307 HA LYS 36 HA LYS 36 11.323 -5.570 8.272 308 HB2 LYS 36 HB2 LYS 36 9.813 -3.660 9.159 309 HB3 LYS 36 HB1 LYS 36 8.493 -4.793 8.986 310 HG2 LYS 36 HG2 LYS 36 10.861 -5.565 10.623 311 HG3 LYS 36 HG1 LYS 36 9.692 -4.423 11.274 312 HD2 LYS 36 HD2 LYS 36 8.026 -6.357 10.360 313 HD3 LYS 36 HD1 LYS 36 9.445 -7.314 10.787 314 HE2 LYS 36 HE2 LYS 36 7.919 -7.202 12.676 315 HE3 LYS 36 HE1 LYS 36 9.399 -6.318 13.044 316 HZ1 LYS 36 HZ1 LYS 36 6.949 -4.985 12.007 317 HZ2 LYS 36 HZ2 LYS 36 8.309 -4.264 12.714 318 HZ3 LYS 36 HZ3 LYS 36 7.259 -5.187 13.661 319 H CYS 37 HN CYS 37 10.927 -7.930 8.493 320 HA CYS 37 HA CYS 37 8.438 -9.081 7.313 321 HB2 CYS 37 HB2 CYS 37 11.172 -10.336 6.713 322 HB3 CYS 37 HB1 CYS 37 9.633 -10.909 6.177 323 HG CYS 37 HG CYS 37 11.267 -9.774 4.122 324 H ASP 38 HN ASP 38 7.580 -10.045 9.163 325 HA ASP 38 HA ASP 38 9.687 -11.659 10.616 326 HB2 ASP 38 HB2 ASP 38 8.368 -9.710 11.809 327 HB3 ASP 38 HB1 ASP 38 7.153 -11.006 12.033 328 H VAL 39 HN VAL 39 9.307 -13.824 11.072 329 HA VAL 39 HA VAL 39 6.792 -14.891 10.186 330 HB VAL 39 HB VAL 39 8.050 -15.554 8.246 331 HG11 VAL 39 HG11 VAL 39 10.360 -16.430 8.335 332 HG12 VAL 39 HG12 VAL 39 10.418 -16.024 10.042 333 HG13 VAL 39 HG13 VAL 39 10.196 -14.754 8.832 334 HG21 VAL 39 HG21 VAL 39 8.585 -17.887 8.178 335 HG22 VAL 39 HG22 VAL 39 7.197 -17.762 9.243 336 HG23 VAL 39 HG23 VAL 39 8.810 -17.979 9.909 337 H LYS 40 HN LYS 40 5.789 -15.786 11.737 338 HA LYS 40 HA LYS 40 7.326 -16.794 14.041 339 HB2 LYS 40 HB2 LYS 40 4.736 -15.228 13.760 340 HB3 LYS 40 HB1 LYS 40 5.208 -15.974 15.300 341 HG2 LYS 40 HG2 LYS 40 7.452 -14.526 14.542 342 HG3 LYS 40 HG1 LYS 40 6.103 -13.509 14.037 343 HD2 LYS 40 HD2 LYS 40 5.130 -13.987 16.384 344 HD3 LYS 40 HD1 LYS 40 6.770 -14.461 16.820 345 HE2 LYS 40 HE2 LYS 40 7.468 -12.164 15.859 346 HE3 LYS 40 HE1 LYS 40 5.747 -11.770 15.980 347 HZ1 LYS 40 HZ1 LYS 40 5.853 -12.389 18.348 348 HZ2 LYS 40 HZ2 LYS 40 6.853 -11.082 17.963 349 HZ3 LYS 40 HZ3 LYS 40 7.527 -12.615 18.200 350 H LYS 41 HN LYS 41 6.153 -18.771 15.301 351 HA LYS 41 HA LYS 41 4.455 -20.139 13.346 352 HB2 LYS 41 HB2 LYS 41 5.739 -22.138 13.111 353 HB3 LYS 41 HB1 LYS 41 7.018 -20.967 13.211 354 HG2 LYS 41 HG2 LYS 41 6.089 -22.818 15.418 355 HG3 LYS 41 HG1 LYS 41 7.592 -22.906 14.506 356 HD2 LYS 41 HD2 LYS 41 6.769 -20.713 16.402 357 HD3 LYS 41 HD1 LYS 41 7.968 -21.967 16.735 358 HE2 LYS 41 HE2 LYS 41 9.086 -20.951 14.552 359 HE3 LYS 41 HE1 LYS 41 8.137 -19.533 15.009 360 HZ1 LYS 41 HZ1 LYS 41 10.339 -19.415 15.935 361 HZ2 LYS 41 HZ2 LYS 41 10.152 -20.908 16.702 362 HZ3 LYS 41 HZ3 LYS 41 9.213 -19.585 17.187 363 H THR 42 HN THR 42 2.731 -21.605 14.390 364 HA THR 42 HA THR 42 2.765 -21.232 17.268 365 HB THR 42 HB THR 42 0.674 -20.582 15.970 366 HG1 THR 42 HG1 THR 42 -0.514 -21.005 17.692 367 HG21 THR 42 HG21 THR 42 0.528 -23.532 15.495 368 HG22 THR 42 HG22 THR 42 0.134 -22.215 14.394 369 HG23 THR 42 HG23 THR 42 -0.953 -22.617 15.718 370 H VAL 43 HN VAL 43 1.508 -23.336 18.441 371 HA VAL 43 HA VAL 43 3.450 -25.467 18.155 372 HB VAL 43 HB VAL 43 1.172 -25.728 20.122 373 HG11 VAL 43 HG11 VAL 43 4.123 -26.277 20.310 374 HG12 VAL 43 HG12 VAL 43 2.853 -27.463 20.002 375 HG13 VAL 43 HG13 VAL 43 2.923 -26.623 21.553 376 HG21 VAL 43 HG21 VAL 43 2.319 -24.294 21.765 377 HG22 VAL 43 HG22 VAL 43 1.746 -23.357 20.390 378 HG23 VAL 43 HG23 VAL 43 3.457 -23.766 20.527 379 H SER 44 HN SER 44 0.567 -24.925 16.582 380 HA SER 44 HA SER 44 -0.432 -27.666 16.617 381 HB2 SER 44 HB2 SER 44 -1.945 -25.532 16.716 382 HB3 SER 44 HB1 SER 44 -1.558 -25.344 15.007 383 HG SER 44 HG SER 44 -3.110 -27.286 16.276 384 H GLY 45 HN GLY 45 2.077 -26.291 15.150 385 HA2 GLY 45 HA2 GLY 45 3.323 -26.978 13.322 386 HA3 GLY 45 HA1 GLY 45 2.006 -28.036 12.855 387 H ALA 46 HN ALA 46 0.368 -25.276 13.007 388 HA ALA 46 HA ALA 46 0.698 -24.566 10.257 389 HB1 ALA 46 HB1 ALA 46 -1.040 -23.347 12.441 390 HB2 ALA 46 HB2 ALA 46 -1.523 -24.490 11.193 391 HB3 ALA 46 HB3 ALA 46 -1.074 -22.854 10.755 392 H ALA 47 HN ALA 47 1.871 -22.809 9.408 393 HA ALA 47 HA ALA 47 3.499 -21.291 11.324 394 HB1 ALA 47 HB1 ALA 47 5.452 -21.515 10.048 395 HB2 ALA 47 HB2 ALA 47 4.590 -21.991 8.596 396 HB3 ALA 47 HB3 ALA 47 4.738 -23.115 9.954 397 H PHE 48 HN PHE 48 3.832 -18.938 10.849 398 HA PHE 48 HA PHE 48 1.998 -18.077 8.665 399 HB2 PHE 48 HB2 PHE 48 2.618 -16.597 11.238 400 HB3 PHE 48 HB1 PHE 48 1.298 -16.282 10.121 401 HD1 PHE 48 HD2 PHE 48 -0.573 -17.883 9.981 402 HD2 PHE 48 HD1 PHE 48 2.411 -18.145 12.991 403 HE1 PHE 48 HE2 PHE 48 -2.029 -19.314 11.303 404 HE2 PHE 48 HE1 PHE 48 0.969 -19.505 14.322 405 HZ PHE 48 HZ PHE 48 -1.277 -20.150 13.511 406 H ALA 49 HN ALA 49 2.688 -16.240 7.371 407 HA ALA 49 HA ALA 49 5.075 -14.863 8.335 408 HB1 ALA 49 HB1 ALA 49 5.333 -16.313 6.142 409 HB2 ALA 49 HB2 ALA 49 6.223 -14.817 6.376 410 HB3 ALA 49 HB3 ALA 49 4.740 -14.830 5.400 411 H PHE 50 HN PHE 50 5.419 -12.649 7.811 412 HA PHE 50 HA PHE 50 2.877 -11.243 7.846 413 HB2 PHE 50 HB2 PHE 50 4.036 -12.024 10.174 414 HB3 PHE 50 HB1 PHE 50 4.962 -10.550 9.911 415 HD1 PHE 50 HD1 PHE 50 2.148 -9.391 8.543 416 HD2 PHE 50 HD2 PHE 50 3.411 -10.966 12.291 417 HE1 PHE 50 HE1 PHE 50 0.352 -8.152 9.676 418 HE2 PHE 50 HE2 PHE 50 1.622 -9.724 13.422 419 HZ PHE 50 HZ PHE 50 0.086 -8.320 12.114 420 H ILE 51 HN ILE 51 3.223 -9.511 6.293 421 HA ILE 51 HA ILE 51 6.137 -8.853 5.871 422 HB ILE 51 HB ILE 51 4.304 -8.671 3.474 423 HG12 ILE 51 HG12 ILE 51 5.468 -10.940 2.818 424 HG13 ILE 51 HG11 ILE 51 5.644 -11.176 4.529 425 HG21 ILE 51 HG21 ILE 51 6.393 -8.917 2.274 426 HG22 ILE 51 HG22 ILE 51 7.250 -9.094 3.802 427 HG23 ILE 51 HG23 ILE 51 6.449 -7.571 3.416 428 HD11 ILE 51 HD11 ILE 51 3.103 -11.036 2.934 429 HD12 ILE 51 HD12 ILE 51 3.122 -11.021 4.699 430 HD13 ILE 51 HD13 ILE 51 3.757 -12.406 3.815 431 H GLU 52 HN GLU 52 6.576 -6.876 6.420 432 HA GLU 52 HA GLU 52 4.412 -4.894 6.271 433 HB2 GLU 52 HB2 GLU 52 4.977 -5.189 8.502 434 HB3 GLU 52 HB1 GLU 52 6.683 -5.262 8.177 435 HG2 GLU 52 HG2 GLU 52 6.551 -2.785 7.621 436 HG3 GLU 52 HG1 GLU 52 4.901 -2.828 8.248 437 H PHE 53 HN PHE 53 4.547 -3.721 4.410 438 HA PHE 53 HA PHE 53 7.169 -2.612 3.676 439 HB2 PHE 53 HB2 PHE 53 6.066 -2.522 1.245 440 HB3 PHE 53 HB1 PHE 53 6.921 -3.935 1.819 441 HD1 PHE 53 HD1 PHE 53 3.452 -2.600 2.129 442 HD2 PHE 53 HD2 PHE 53 5.978 -5.892 1.154 443 HE1 PHE 53 HE1 PHE 53 1.481 -3.971 1.647 444 HE2 PHE 53 HE2 PHE 53 4.022 -7.274 0.672 445 HZ PHE 53 HZ PHE 53 1.758 -6.294 0.919 446 H GLU 54 HN GLU 54 7.059 -0.534 2.175 447 HA GLU 54 HA GLU 54 5.276 1.300 3.482 448 HB2 GLU 54 HB2 GLU 54 7.172 2.495 3.245 449 HB3 GLU 54 HB1 GLU 54 7.728 1.545 1.900 450 HG2 GLU 54 HG2 GLU 54 6.753 2.963 0.314 451 HG3 GLU 54 HG1 GLU 54 5.640 3.685 1.463 452 H ASP 55 HN ASP 55 5.319 -0.154 0.186 453 HA ASP 55 HA ASP 55 2.995 1.536 -0.478 454 HB2 ASP 55 HB2 ASP 55 4.647 -0.215 -2.349 455 HB3 ASP 55 HB1 ASP 55 3.480 1.007 -2.850 456 H ALA 56 HN ALA 56 1.013 0.388 -0.051 457 HA ALA 56 HA ALA 56 1.201 -2.479 -0.013 458 HB1 ALA 56 HB1 ALA 56 -1.232 -0.801 0.610 459 HB2 ALA 56 HB2 ALA 56 -0.081 -1.489 1.744 460 HB3 ALA 56 HB3 ALA 56 -1.098 -2.544 0.779 461 H ARG 57 HN ARG 57 0.135 -0.237 -2.509 462 HA ARG 57 HA ARG 57 -1.700 -2.142 -3.533 463 HB2 ARG 57 HB2 ARG 57 -2.387 0.095 -3.761 464 HB3 ARG 57 HB1 ARG 57 -0.913 0.612 -4.545 465 HG2 ARG 57 HG2 ARG 57 -2.411 -1.434 -6.081 466 HG3 ARG 57 HG1 ARG 57 -3.296 0.059 -5.810 467 HD2 ARG 57 HD2 ARG 57 -0.471 0.162 -6.834 468 HD3 ARG 57 HD1 ARG 57 -1.818 -0.184 -7.922 469 HE ARG 57 HE ARG 57 -2.730 1.998 -6.736 470 HH11 ARG 57 HH11 ARG 57 0.475 1.319 -7.984 471 HH12 ARG 57 HH12 ARG 57 0.803 2.969 -8.390 472 HH21 ARG 57 HH21 ARG 57 -2.321 4.172 -7.303 473 HH22 ARG 57 HH22 ARG 57 -0.794 4.605 -8.002 474 H ASP 58 HN ASP 58 1.677 -1.170 -4.751 475 HA ASP 58 HA ASP 58 1.378 -2.878 -6.987 476 HB2 ASP 58 HB2 ASP 58 3.963 -1.731 -5.865 477 HB3 ASP 58 HB1 ASP 58 3.838 -2.639 -7.367 478 H ALA 59 HN ALA 59 2.802 -3.834 -3.809 479 HA ALA 59 HA ALA 59 3.501 -6.330 -4.335 480 HB1 ALA 59 HB1 ALA 59 2.323 -5.361 -1.769 481 HB2 ALA 59 HB2 ALA 59 4.002 -5.234 -2.305 482 HB3 ALA 59 HB3 ALA 59 3.303 -6.810 -1.982 483 H ALA 60 HN ALA 60 0.178 -5.352 -4.232 484 HA ALA 60 HA ALA 60 -1.283 -7.591 -3.950 485 HB1 ALA 60 HB1 ALA 60 -2.318 -5.410 -4.188 486 HB2 ALA 60 HB2 ALA 60 -3.032 -6.520 -5.345 487 HB3 ALA 60 HB3 ALA 60 -1.850 -5.342 -5.886 488 H ASP 61 HN ASP 61 0.526 -6.861 -7.098 489 HA ASP 61 HA ASP 61 -0.092 -9.126 -8.512 490 HB2 ASP 61 HB2 ASP 61 2.737 -8.072 -8.201 491 HB3 ASP 61 HB1 ASP 61 2.209 -9.283 -9.355 492 H ALA 62 HN ALA 62 2.498 -9.244 -5.953 493 HA ALA 62 HA ALA 62 2.583 -12.059 -6.000 494 HB1 ALA 62 HB1 ALA 62 3.632 -12.113 -3.811 495 HB2 ALA 62 HB2 ALA 62 3.320 -10.401 -3.567 496 HB3 ALA 62 HB3 ALA 62 4.393 -10.939 -4.853 497 H ILE 63 HN ILE 63 0.293 -9.926 -4.208 498 HA ILE 63 HA ILE 63 -0.453 -12.237 -2.662 499 HB ILE 63 HB ILE 63 -0.848 -9.791 -1.924 500 HG12 ILE 63 HG12 ILE 63 -2.090 -12.388 -1.324 501 HG13 ILE 63 HG11 ILE 63 -1.206 -11.287 -0.264 502 HG21 ILE 63 HG21 ILE 63 -2.937 -8.798 -2.244 503 HG22 ILE 63 HG22 ILE 63 -3.687 -10.296 -2.768 504 HG23 ILE 63 HG23 ILE 63 -2.601 -9.438 -3.851 505 HD11 ILE 63 HD11 ILE 63 -4.099 -11.393 -0.883 506 HD12 ILE 63 HD12 ILE 63 -3.357 -9.915 -0.323 507 HD13 ILE 63 HD13 ILE 63 -3.272 -11.348 0.669 508 H LYS 64 HN LYS 64 -2.412 -10.775 -5.398 509 HA LYS 64 HA LYS 64 -3.967 -12.891 -5.902 510 HB2 LYS 64 HB2 LYS 64 -3.938 -12.339 -8.327 511 HB3 LYS 64 HB1 LYS 64 -4.216 -10.950 -7.317 512 HG2 LYS 64 HG2 LYS 64 -2.753 -10.027 -8.821 513 HG3 LYS 64 HG1 LYS 64 -1.576 -10.629 -7.655 514 HD2 LYS 64 HD2 LYS 64 -0.875 -12.358 -9.021 515 HD3 LYS 64 HD1 LYS 64 -2.389 -12.386 -9.939 516 HE2 LYS 64 HE2 LYS 64 -0.127 -10.411 -10.114 517 HE3 LYS 64 HE1 LYS 64 -0.670 -11.536 -11.347 518 HZ1 LYS 64 HZ1 LYS 64 -2.773 -10.277 -11.457 519 HZ2 LYS 64 HZ2 LYS 64 -1.427 -9.354 -11.896 520 HZ3 LYS 64 HZ3 LYS 64 -2.133 -9.145 -10.374 521 H GLU 65 HN GLU 65 -0.435 -12.909 -6.596 522 HA GLU 65 HA GLU 65 -0.765 -15.313 -8.203 523 HB2 GLU 65 HB2 GLU 65 1.182 -14.684 -9.077 524 HB3 GLU 65 HB1 GLU 65 1.039 -13.240 -8.105 525 HG2 GLU 65 HG2 GLU 65 2.306 -14.579 -6.316 526 HG3 GLU 65 HG1 GLU 65 2.661 -15.616 -7.675 527 H LYS 66 HN LYS 66 -0.123 -14.703 -4.832 528 HA LYS 66 HA LYS 66 0.092 -17.588 -4.449 529 HB2 LYS 66 HB2 LYS 66 0.120 -15.468 -2.275 530 HB3 LYS 66 HB1 LYS 66 0.645 -17.124 -2.127 531 HG2 LYS 66 HG2 LYS 66 2.045 -14.769 -3.385 532 HG3 LYS 66 HG1 LYS 66 2.556 -15.748 -2.041 533 HD2 LYS 66 HD2 LYS 66 3.139 -17.616 -3.543 534 HD3 LYS 66 HD1 LYS 66 2.538 -16.704 -4.935 535 HE2 LYS 66 HE2 LYS 66 4.261 -14.991 -4.554 536 HE3 LYS 66 HE1 LYS 66 4.842 -15.885 -3.152 537 HZ1 LYS 66 HZ1 LYS 66 6.240 -16.340 -5.003 538 HZ2 LYS 66 HZ2 LYS 66 4.924 -16.758 -5.988 539 HZ3 LYS 66 HZ3 LYS 66 5.348 -17.747 -4.682 540 H ASP 67 HN ASP 67 -2.581 -16.204 -5.373 541 HA ASP 67 HA ASP 67 -4.102 -15.992 -2.952 542 HB2 ASP 67 HB2 ASP 67 -5.711 -14.825 -3.703 543 HB3 ASP 67 HB1 ASP 67 -4.403 -14.250 -4.682 544 H GLY 68 HN GLY 68 -6.538 -16.679 -2.998 545 HA2 GLY 68 HA2 GLY 68 -7.841 -18.673 -3.497 546 HA3 GLY 68 HA1 GLY 68 -6.328 -19.528 -3.684 547 H CYS 69 HN CYS 69 -7.079 -17.333 -0.919 548 HA CYS 69 HA CYS 69 -5.908 -18.953 0.915 549 HB2 CYS 69 HB2 CYS 69 -7.742 -17.603 2.452 550 HB3 CYS 69 HB1 CYS 69 -6.264 -16.881 1.842 551 HG CYS 69 HG CYS 69 -9.294 -16.699 0.279 552 H ASP 70 HN ASP 70 -6.365 -20.862 1.850 553 HA ASP 70 HA ASP 70 -9.179 -21.716 1.806 554 HB2 ASP 70 HB2 ASP 70 -7.445 -22.560 -0.078 555 HB3 ASP 70 HB1 ASP 70 -7.144 -23.783 1.164 556 H PHE 71 HN PHE 71 -9.596 -23.714 3.186 557 HA PHE 71 HA PHE 71 -8.174 -23.891 5.618 558 HB2 PHE 71 HB2 PHE 71 -9.906 -22.912 7.057 559 HB3 PHE 71 HB1 PHE 71 -9.290 -21.690 5.961 560 HD1 PHE 71 HD2 PHE 71 -10.732 -20.888 4.077 561 HD2 PHE 71 HD1 PHE 71 -12.198 -23.564 7.065 562 HE1 PHE 71 HE2 PHE 71 -13.032 -20.314 3.449 563 HE2 PHE 71 HE1 PHE 71 -14.506 -22.966 6.445 564 HZ PHE 71 HZ PHE 71 -14.924 -21.342 4.641 565 H GLU 72 HN GLU 72 -9.039 -25.667 6.861 566 HA GLU 72 HA GLU 72 -10.018 -27.662 7.190 567 HB2 GLU 72 HB2 GLU 72 -12.128 -25.991 6.451 568 HB3 GLU 72 HB1 GLU 72 -12.335 -27.359 5.386 569 HG2 GLU 72 HG2 GLU 72 -12.597 -28.859 7.307 570 HG3 GLU 72 HG1 GLU 72 -12.304 -27.494 8.404 571 H GLY 73 HN GLY 73 -8.075 -28.271 5.716 572 HA2 GLY 73 HA2 GLY 73 -7.594 -30.380 4.735 573 HA3 GLY 73 HA1 GLY 73 -9.143 -30.337 3.930 574 H ASN 74 HN ASN 74 -8.467 -27.511 2.810 575 HA ASN 74 HA ASN 74 -5.851 -28.189 1.581 576 HB2 ASN 74 HB2 ASN 74 -7.706 -26.079 0.249 577 HB3 ASN 74 HB1 ASN 74 -6.170 -26.705 -0.310 578 HD21 ASN 74 HD21 ASN 74 -6.033 -28.537 -1.425 579 HD22 ASN 74 HD22 ASN 74 -7.406 -29.468 -1.901 580 H LYS 75 HN LYS 75 -4.154 -27.076 2.376 581 HA LYS 75 HA LYS 75 -4.926 -24.831 4.146 582 HB2 LYS 75 HB2 LYS 75 -2.641 -26.759 4.408 583 HB3 LYS 75 HB1 LYS 75 -2.310 -25.093 4.804 584 HG2 LYS 75 HG2 LYS 75 -2.932 -25.801 6.850 585 HG3 LYS 75 HG1 LYS 75 -4.499 -25.303 6.259 586 HD2 LYS 75 HD2 LYS 75 -4.563 -27.941 5.570 587 HD3 LYS 75 HD1 LYS 75 -3.476 -28.003 6.945 588 HE2 LYS 75 HE2 LYS 75 -6.268 -26.823 6.902 589 HE3 LYS 75 HE1 LYS 75 -5.764 -28.328 7.681 590 HZ1 LYS 75 HZ1 LYS 75 -4.747 -25.631 8.404 591 HZ2 LYS 75 HZ2 LYS 75 -4.399 -27.084 9.204 592 HZ3 LYS 75 HZ3 LYS 75 -5.969 -26.457 9.232 593 H LEU 76 HN LEU 76 -4.882 -22.791 2.996 594 HA LEU 76 HA LEU 76 -2.303 -22.012 1.940 595 HB2 LEU 76 HB2 LEU 76 -2.986 -23.285 0.009 596 HB3 LEU 76 HB1 LEU 76 -4.575 -22.570 0.005 597 HG LEU 76 HG LEU 76 -3.421 -20.388 -0.554 598 HD11 LEU 76 HD11 LEU 76 -1.141 -21.015 -0.055 599 HD12 LEU 76 HD12 LEU 76 -1.330 -20.537 -1.739 600 HD13 LEU 76 HD13 LEU 76 -1.193 -22.242 -1.319 601 HD21 LEU 76 HD21 LEU 76 -3.542 -22.685 -2.464 602 HD22 LEU 76 HD22 LEU 76 -3.379 -20.995 -2.946 603 HD23 LEU 76 HD23 LEU 76 -4.816 -21.532 -2.076 604 H ARG 77 HN ARG 77 -2.969 -20.205 3.800 605 HA ARG 77 HA ARG 77 -5.258 -18.624 2.857 606 HB2 ARG 77 HB2 ARG 77 -5.573 -19.495 5.069 607 HB3 ARG 77 HB1 ARG 77 -3.952 -19.073 5.527 608 HG2 ARG 77 HG2 ARG 77 -5.375 -17.629 6.762 609 HG3 ARG 77 HG1 ARG 77 -4.585 -16.648 5.540 610 HD2 ARG 77 HD2 ARG 77 -6.666 -16.659 4.212 611 HD3 ARG 77 HD1 ARG 77 -7.488 -17.607 5.472 612 HE ARG 77 HE ARG 77 -6.617 -14.823 5.703 613 HH11 ARG 77 HH12 ARG 77 -8.324 -17.561 7.056 614 HH12 ARG 77 HH11 ARG 77 -9.134 -16.651 8.275 615 HH21 ARG 77 HH22 ARG 77 -7.683 -13.571 7.333 616 HH22 ARG 77 HH21 ARG 77 -8.763 -14.374 8.430 617 H VAL 78 HN VAL 78 -4.573 -16.726 1.590 618 HA VAL 78 HA VAL 78 -2.233 -15.326 2.739 619 HB VAL 78 HB VAL 78 -2.676 -15.792 -0.316 620 HG11 VAL 78 HG11 VAL 78 -0.953 -14.335 -0.765 621 HG12 VAL 78 HG12 VAL 78 -0.321 -14.368 0.876 622 HG13 VAL 78 HG13 VAL 78 -1.810 -13.492 0.523 623 HG21 VAL 78 HG21 VAL 78 -0.518 -16.754 1.615 624 HG22 VAL 78 HG22 VAL 78 -0.270 -16.653 -0.116 625 HG23 VAL 78 HG23 VAL 78 -1.510 -17.719 0.518 626 H GLU 79 HN GLU 79 -2.904 -13.061 3.320 627 HA GLU 79 HA GLU 79 -5.192 -11.967 1.861 628 HB2 GLU 79 HB2 GLU 79 -6.411 -13.210 3.426 629 HB3 GLU 79 HB1 GLU 79 -5.212 -12.981 4.683 630 HG2 GLU 79 HG2 GLU 79 -6.079 -10.876 5.311 631 HG3 GLU 79 HG1 GLU 79 -7.074 -10.750 3.845 632 H VAL 80 HN VAL 80 -4.775 -9.812 1.449 633 HA VAL 80 HA VAL 80 -3.236 -8.302 3.339 634 HB VAL 80 HB VAL 80 -3.818 -6.316 1.897 635 HG11 VAL 80 HG11 VAL 80 -1.940 -6.812 0.789 636 HG12 VAL 80 HG12 VAL 80 -2.719 -8.103 -0.079 637 HG13 VAL 80 HG13 VAL 80 -2.038 -8.423 1.505 638 HG21 VAL 80 HG21 VAL 80 -5.916 -7.087 0.979 639 HG22 VAL 80 HG22 VAL 80 -5.105 -8.428 0.179 640 HG23 VAL 80 HG23 VAL 80 -4.772 -6.772 -0.325 641 HA PRO 81 HA PRO 81 -6.801 -6.416 5.413 642 HB2 PRO 81 HB2 PRO 81 -5.326 -4.965 7.205 643 HB3 PRO 81 HB1 PRO 81 -5.744 -6.669 7.458 644 HG2 PRO 81 HG2 PRO 81 -3.178 -5.453 6.691 645 HG3 PRO 81 HG1 PRO 81 -3.501 -6.957 7.570 646 HD2 PRO 81 HD2 PRO 81 -2.791 -6.733 4.864 647 HD3 PRO 81 HD1 PRO 81 -3.409 -8.182 5.668 648 H PHE 82 HN PHE 82 -5.734 -5.523 2.891 649 HA PHE 82 HA PHE 82 -5.859 -2.593 3.237 650 HB2 PHE 82 HB2 PHE 82 -4.305 -3.661 0.866 651 HB3 PHE 82 HB1 PHE 82 -4.302 -2.072 1.589 652 HD1 PHE 82 HD2 PHE 82 -3.351 -2.017 4.079 653 HD2 PHE 82 HD1 PHE 82 -2.479 -4.919 1.117 654 HE1 PHE 82 HE2 PHE 82 -1.232 -2.494 5.159 655 HE2 PHE 82 HE1 PHE 82 -0.315 -5.415 2.219 656 HZ PHE 82 HZ PHE 82 0.288 -4.173 4.231 657 H ASN 83 HN ASN 83 -8.072 -4.027 2.954 658 HA ASN 83 HA ASN 83 -8.814 -4.076 0.174 659 HB2 ASN 83 HB2 ASN 83 -10.608 -4.361 2.614 660 HB3 ASN 83 HB1 ASN 83 -11.035 -4.735 0.951 661 HD21 ASN 83 HD21 ASN 83 -10.929 -6.381 3.386 662 HD22 ASN 83 HD22 ASN 83 -9.935 -7.736 2.986 663 H ALA 84 HN ALA 84 -7.844 -1.633 0.591 664 HA ALA 84 HA ALA 84 -9.884 0.282 0.143 665 HB1 ALA 84 HB1 ALA 84 -9.672 1.631 2.173 666 HB2 ALA 84 HB2 ALA 84 -8.553 0.459 2.868 667 HB3 ALA 84 HB3 ALA 84 -10.240 0.011 2.590 668 H ARG 85 HN ARG 85 -7.338 -0.624 -1.002 669 HA ARG 85 HA ARG 85 -6.081 2.025 -1.234 670 HB2 ARG 85 HB2 ARG 85 -4.830 -0.154 0.198 671 HB3 ARG 85 HB1 ARG 85 -3.917 0.184 -1.268 672 HG2 ARG 85 HG2 ARG 85 -3.196 2.214 -0.551 673 HG3 ARG 85 HG1 ARG 85 -4.662 2.528 0.384 674 HD2 ARG 85 HD2 ARG 85 -3.491 2.035 2.240 675 HD3 ARG 85 HD1 ARG 85 -3.352 0.376 1.667 676 HE ARG 85 HE ARG 85 -1.146 0.756 1.394 677 HH11 ARG 85 HH11 ARG 85 -2.660 3.926 1.094 678 HH12 ARG 85 HH12 ARG 85 -1.152 4.756 0.900 679 HH21 ARG 85 HH21 ARG 85 0.829 1.888 1.188 680 HH22 ARG 85 HH22 ARG 85 0.824 3.604 0.954 681 H GLU 86 HN GLU 86 -7.771 0.827 -3.111 682 HA GLU 86 HA GLU 86 -5.947 -0.136 -5.194 683 HB2 GLU 86 HB2 GLU 86 -8.918 -0.356 -4.841 684 HB3 GLU 86 HB1 GLU 86 -8.241 -0.428 -6.456 685 HG2 GLU 86 HG2 GLU 86 -6.762 -2.229 -4.792 686 HG3 GLU 86 HG1 GLU 86 -8.484 -2.543 -4.574 Start of MODEL 8 1 H1 GLY -2 HT1 GLY -2 -24.510 8.807 2.848 2 H2 GLY -2 HT2 GLY -2 -23.436 9.842 2.051 3 H3 GLY -2 HT3 GLY -2 -24.033 10.259 3.577 4 HA2 GLY -2 HA1 GLY -2 -22.875 8.389 4.575 5 HA3 GLY -2 HA2 GLY -2 -22.257 7.956 2.986 6 H SER -1 HN SER -1 -20.601 8.509 5.206 7 HA SER -1 HA SER -1 -19.436 11.127 4.504 8 HB2 SER -1 HB2 SER -1 -20.448 10.784 6.849 9 HB3 SER -1 HB1 SER -1 -19.083 9.718 7.159 10 HG SER -1 HG SER -1 -19.017 12.149 7.668 11 H HIS 0 HN HIS 0 -16.948 11.015 5.498 12 HA HIS 0 HA HIS 0 -15.704 8.581 4.397 13 HB2 HIS 0 HB2 HIS 0 -15.112 11.436 3.639 14 HB3 HIS 0 HB1 HIS 0 -13.883 10.186 3.481 15 HD1 HIS 0 HD1 HIS 0 -17.042 11.428 1.939 16 HD2 HIS 0 HD2 HIS 0 -14.362 8.298 1.442 17 HE1 HIS 0 HE1 HIS 0 -17.588 10.421 -0.290 18 HE2 HIS 0 HE2 HIS 0 -15.794 8.699 -0.668 19 H MET 1 HN MET 1 -13.527 8.161 5.139 20 HA MET 1 HA MET 1 -13.008 9.351 7.785 21 HB2 MET 1 HB2 MET 1 -12.372 6.544 6.823 22 HB3 MET 1 HB1 MET 1 -11.916 7.195 8.391 23 HG2 MET 1 HG2 MET 1 -13.800 6.083 8.997 24 HG3 MET 1 HG1 MET 1 -14.528 7.626 8.561 25 HE1 MET 1 HE1 MET 1 -15.149 3.578 6.581 26 HE2 MET 1 HE2 MET 1 -15.036 3.949 8.299 27 HE3 MET 1 HE3 MET 1 -13.599 4.051 7.281 28 H VAL 2 HN VAL 2 -10.910 9.899 8.371 29 HA VAL 2 HA VAL 2 -8.907 9.899 6.190 30 HB VAL 2 HB VAL 2 -9.240 12.029 8.332 31 HG11 VAL 2 HG11 VAL 2 -7.631 13.332 7.028 32 HG12 VAL 2 HG12 VAL 2 -7.437 11.979 5.915 33 HG13 VAL 2 HG13 VAL 2 -6.927 11.816 7.593 34 HG21 VAL 2 HG21 VAL 2 -11.079 12.125 6.735 35 HG22 VAL 2 HG22 VAL 2 -9.925 12.181 5.402 36 HG23 VAL 2 HG23 VAL 2 -10.004 13.513 6.555 37 H ILE 3 HN ILE 3 -7.039 8.868 6.657 38 HA ILE 3 HA ILE 3 -6.319 8.483 9.496 39 HB ILE 3 HB ILE 3 -5.100 6.440 8.883 40 HG12 ILE 3 HG12 ILE 3 -6.113 6.067 6.176 41 HG13 ILE 3 HG11 ILE 3 -5.080 7.497 6.285 42 HG21 ILE 3 HG21 ILE 3 -7.003 4.969 8.174 43 HG22 ILE 3 HG22 ILE 3 -7.969 6.423 7.906 44 HG23 ILE 3 HG23 ILE 3 -7.380 6.039 9.522 45 HD11 ILE 3 HD11 ILE 3 -3.826 5.496 5.671 46 HD12 ILE 3 HD12 ILE 3 -4.301 4.735 7.189 47 HD13 ILE 3 HD13 ILE 3 -3.284 6.176 7.205 48 H ARG 4 HN ARG 4 -4.177 9.122 10.155 49 HA ARG 4 HA ARG 4 -2.289 9.666 7.989 50 HB2 ARG 4 HB2 ARG 4 -1.394 11.542 9.502 51 HB3 ARG 4 HB1 ARG 4 -2.902 11.845 8.645 52 HG2 ARG 4 HG2 ARG 4 -4.118 11.179 10.753 53 HG3 ARG 4 HG1 ARG 4 -2.549 11.147 11.562 54 HD2 ARG 4 HD2 ARG 4 -2.222 13.472 11.181 55 HD3 ARG 4 HD1 ARG 4 -3.605 13.549 10.094 56 HE ARG 4 HE ARG 4 -4.369 12.674 12.696 57 HH11 ARG 4 HH11 ARG 4 -3.580 15.561 10.838 58 HH12 ARG 4 HH12 ARG 4 -4.513 16.617 11.842 59 HH21 ARG 4 HH21 ARG 4 -5.613 14.075 14.005 60 HH22 ARG 4 HH22 ARG 4 -5.669 15.766 13.646 61 H GLU 5 HN GLU 5 -0.135 8.878 8.351 62 HA GLU 5 HA GLU 5 1.731 8.104 9.367 63 HB2 GLU 5 HB2 GLU 5 1.376 9.957 11.039 64 HB3 GLU 5 HB1 GLU 5 0.431 8.855 12.010 65 HG2 GLU 5 HG2 GLU 5 2.381 7.514 12.506 66 HG3 GLU 5 HG1 GLU 5 3.384 8.473 11.416 67 H SER 6 HN SER 6 1.211 5.897 8.587 68 HA SER 6 HA SER 6 0.698 4.116 10.828 69 HB2 SER 6 HB2 SER 6 -1.527 4.576 9.655 70 HB3 SER 6 HB1 SER 6 -0.865 3.725 8.261 71 HG SER 6 HG SER 6 -2.104 2.614 10.200 72 H VAL 7 HN VAL 7 1.148 1.737 10.158 73 HA VAL 7 HA VAL 7 3.183 1.631 8.032 74 HB VAL 7 HB VAL 7 4.436 -0.151 9.180 75 HG11 VAL 7 HG11 VAL 7 5.397 1.122 11.016 76 HG12 VAL 7 HG12 VAL 7 4.021 2.224 10.961 77 HG13 VAL 7 HG13 VAL 7 5.114 2.112 9.581 78 HG21 VAL 7 HG21 VAL 7 4.062 -0.795 11.533 79 HG22 VAL 7 HG22 VAL 7 2.746 -1.321 10.491 80 HG23 VAL 7 HG23 VAL 7 2.531 0.078 11.537 81 H SER 8 HN SER 8 2.798 0.240 6.395 82 HA SER 8 HA SER 8 0.280 -1.207 6.465 83 HB2 SER 8 HB2 SER 8 0.301 -0.431 4.337 84 HB3 SER 8 HB1 SER 8 2.008 -0.021 4.460 85 HG SER 8 HG SER 8 2.564 -1.856 3.548 86 H ARG 9 HN ARG 9 0.015 -3.524 6.302 87 HA ARG 9 HA ARG 9 2.505 -5.065 6.551 88 HB2 ARG 9 HB2 ARG 9 0.458 -5.752 8.688 89 HB3 ARG 9 HB1 ARG 9 2.136 -6.220 8.565 90 HG2 ARG 9 HG2 ARG 9 2.449 -4.699 10.152 91 HG3 ARG 9 HG1 ARG 9 2.473 -3.575 8.796 92 HD2 ARG 9 HD2 ARG 9 1.087 -2.672 10.511 93 HD3 ARG 9 HD1 ARG 9 0.044 -3.159 9.183 94 HE ARG 9 HE ARG 9 -0.878 -4.790 10.544 95 HH11 ARG 9 HH12 ARG 9 1.878 -3.317 12.184 96 HH12 ARG 9 HH11 ARG 9 1.478 -3.995 13.727 97 HH21 ARG 9 HH22 ARG 9 -1.422 -5.624 12.610 98 HH22 ARG 9 HH21 ARG 9 -0.396 -5.307 13.964 99 H ILE 10 HN ILE 10 2.206 -7.546 6.479 100 HA ILE 10 HA ILE 10 -0.358 -8.224 5.167 101 HB ILE 10 HB ILE 10 2.324 -9.021 3.986 102 HG12 ILE 10 HG12 ILE 10 1.262 -7.830 1.878 103 HG13 ILE 10 HG11 ILE 10 0.404 -6.910 3.081 104 HG21 ILE 10 HG21 ILE 10 1.129 -10.085 2.169 105 HG22 ILE 10 HG22 ILE 10 -0.410 -9.658 2.902 106 HG23 ILE 10 HG23 ILE 10 0.670 -10.791 3.722 107 HD11 ILE 10 HD11 ILE 10 2.556 -5.937 2.169 108 HD12 ILE 10 HD12 ILE 10 3.388 -7.169 3.095 109 HD13 ILE 10 HD13 ILE 10 2.388 -5.982 3.921 110 H TYR 11 HN TYR 11 -1.151 -10.104 5.728 111 HA TYR 11 HA TYR 11 0.373 -11.811 7.633 112 HB2 TYR 11 HB2 TYR 11 -1.762 -10.584 8.310 113 HB3 TYR 11 HB1 TYR 11 -2.630 -11.634 7.199 114 HD1 TYR 11 HD2 TYR 11 -0.784 -11.461 10.369 115 HD2 TYR 11 HD1 TYR 11 -3.142 -13.917 7.809 116 HE1 TYR 11 HE2 TYR 11 -1.124 -13.052 12.216 117 HE2 TYR 11 HE1 TYR 11 -3.498 -15.500 9.655 118 HH TYR 11 HH TYR 11 -2.503 -16.163 11.734 119 H VAL 12 HN VAL 12 1.153 -13.883 6.595 120 HA VAL 12 HA VAL 12 -0.787 -14.920 4.596 121 HB VAL 12 HB VAL 12 1.021 -14.014 3.163 122 HG11 VAL 12 HG11 VAL 12 3.383 -14.682 3.445 123 HG12 VAL 12 HG12 VAL 12 2.946 -15.430 4.982 124 HG13 VAL 12 HG13 VAL 12 2.753 -13.691 4.759 125 HG21 VAL 12 HG21 VAL 12 1.403 -17.014 3.402 126 HG22 VAL 12 HG22 VAL 12 2.167 -16.018 2.173 127 HG23 VAL 12 HG23 VAL 12 0.418 -16.139 2.230 128 H GLY 13 HN GLY 13 -1.756 -16.679 5.599 129 HA2 GLY 13 HA2 GLY 13 0.080 -18.506 7.100 130 HA3 GLY 13 HA1 GLY 13 -1.448 -17.984 7.757 131 H ASN 14 HN ASN 14 -1.070 -20.639 7.777 132 HA ASN 14 HA ASN 14 -1.586 -22.735 6.942 133 HB2 ASN 14 HB2 ASN 14 -3.955 -21.224 5.857 134 HB3 ASN 14 HB1 ASN 14 -3.891 -22.950 6.177 135 HD21 ASN 14 HD21 ASN 14 -3.745 -23.633 8.386 136 HD22 ASN 14 HD22 ASN 14 -4.336 -22.617 9.653 137 H LEU 15 HN LEU 15 0.017 -21.133 4.986 138 HA LEU 15 HA LEU 15 -0.964 -21.588 2.365 139 HB2 LEU 15 HB2 LEU 15 0.885 -20.196 1.703 140 HB3 LEU 15 HB1 LEU 15 0.217 -19.500 3.169 141 HG LEU 15 HG LEU 15 2.604 -21.308 3.354 142 HD11 LEU 15 HD11 LEU 15 2.506 -18.490 2.394 143 HD12 LEU 15 HD12 LEU 15 3.438 -19.856 1.775 144 HD13 LEU 15 HD13 LEU 15 3.878 -19.100 3.311 145 HD21 LEU 15 HD21 LEU 15 3.149 -19.810 5.248 146 HD22 LEU 15 HD22 LEU 15 1.617 -20.645 5.450 147 HD23 LEU 15 HD23 LEU 15 1.633 -18.951 4.970 148 HA PRO 16 HA PRO 16 1.485 -25.312 1.606 149 HB2 PRO 16 HB2 PRO 16 1.734 -25.157 -1.150 150 HB3 PRO 16 HB1 PRO 16 0.286 -25.736 -0.302 151 HG2 PRO 16 HG2 PRO 16 0.818 -23.115 -1.577 152 HG3 PRO 16 HG1 PRO 16 -0.688 -24.055 -1.472 153 HD2 PRO 16 HD2 PRO 16 -0.115 -21.880 0.081 154 HD3 PRO 16 HD1 PRO 16 -1.243 -23.160 0.536 155 H SER 17 HN SER 17 3.749 -25.766 1.623 156 HA SER 17 HA SER 17 5.937 -25.726 1.199 157 HB2 SER 17 HB2 SER 17 7.046 -24.482 -0.422 158 HB3 SER 17 HB1 SER 17 5.418 -24.581 -1.082 159 HG SER 17 HG SER 17 6.870 -22.407 -0.445 160 H HIS 18 HN HIS 18 4.368 -22.806 2.254 161 HA HIS 18 HA HIS 18 4.655 -21.371 3.972 162 HB2 HIS 18 HB2 HIS 18 6.770 -23.164 5.140 163 HB3 HIS 18 HB1 HIS 18 5.769 -22.011 5.984 164 HD1 HIS 18 HD1 HIS 18 3.029 -22.780 5.756 165 HD2 HIS 18 HD2 HIS 18 5.977 -25.702 5.588 166 HE1 HIS 18 HE1 HIS 18 1.882 -24.929 6.350 167 HE2 HIS 18 HE2 HIS 18 3.637 -26.715 6.036 168 H VAL 19 HN VAL 19 5.480 -19.826 2.573 169 HA VAL 19 HA VAL 19 8.119 -19.619 1.675 170 HB VAL 19 HB VAL 19 6.391 -18.442 0.492 171 HG11 VAL 19 HG11 VAL 19 5.904 -16.768 2.955 172 HG12 VAL 19 HG12 VAL 19 4.781 -17.819 2.097 173 HG13 VAL 19 HG13 VAL 19 5.335 -16.343 1.340 174 HG21 VAL 19 HG21 VAL 19 8.498 -17.467 0.204 175 HG22 VAL 19 HG22 VAL 19 8.305 -16.455 1.643 176 HG23 VAL 19 HG23 VAL 19 7.286 -16.199 0.226 177 H SER 20 HN SER 20 10.043 -19.194 2.784 178 HA SER 20 HA SER 20 9.936 -18.308 5.524 179 HB2 SER 20 HB2 SER 20 12.392 -18.799 3.782 180 HB3 SER 20 HB1 SER 20 12.293 -18.919 5.536 181 HG SER 20 HG SER 20 10.551 -20.493 4.054 182 H SER 21 HN SER 21 11.102 -16.246 6.334 183 HA SER 21 HA SER 21 10.498 -13.948 5.110 184 HB2 SER 21 HB2 SER 21 12.376 -12.954 6.560 185 HB3 SER 21 HB1 SER 21 11.089 -13.861 7.359 186 HG SER 21 HG SER 21 13.550 -14.301 7.730 187 H ARG 22 HN ARG 22 13.694 -15.583 4.576 188 HA ARG 22 HA ARG 22 14.744 -13.607 2.987 189 HB2 ARG 22 HB2 ARG 22 16.394 -15.110 3.391 190 HB3 ARG 22 HB1 ARG 22 15.446 -16.533 3.094 191 HG2 ARG 22 HG2 ARG 22 16.190 -14.811 0.775 192 HG3 ARG 22 HG1 ARG 22 17.431 -15.772 1.556 193 HD2 ARG 22 HD2 ARG 22 15.015 -17.298 1.031 194 HD3 ARG 22 HD1 ARG 22 15.724 -16.625 -0.436 195 HE ARG 22 HE ARG 22 16.729 -18.770 1.146 196 HH11 ARG 22 HH12 ARG 22 17.786 -16.137 -0.944 197 HH12 ARG 22 HH11 ARG 22 19.267 -16.911 -1.381 198 HH21 ARG 22 HH22 ARG 22 18.666 -19.781 0.541 199 HH22 ARG 22 HH21 ARG 22 19.771 -18.993 -0.532 200 H ASP 23 HN ASP 23 12.574 -16.201 1.700 201 HA ASP 23 HA ASP 23 12.674 -15.502 -1.017 202 HB2 ASP 23 HB2 ASP 23 10.290 -16.777 0.376 203 HB3 ASP 23 HB1 ASP 23 10.677 -16.899 -1.322 204 H VAL 24 HN VAL 24 10.149 -14.616 1.440 205 HA VAL 24 HA VAL 24 8.755 -12.872 -0.211 206 HB VAL 24 HB VAL 24 8.117 -11.685 2.045 207 HG11 VAL 24 HG11 VAL 24 6.454 -12.737 0.884 208 HG12 VAL 24 HG12 VAL 24 6.474 -13.592 2.425 209 HG13 VAL 24 HG13 VAL 24 7.216 -14.316 0.995 210 HG21 VAL 24 HG21 VAL 24 9.691 -12.803 3.469 211 HG22 VAL 24 HG22 VAL 24 9.042 -14.375 2.991 212 HG23 VAL 24 HG23 VAL 24 8.040 -13.235 3.886 213 H GLU 25 HN GLU 25 11.353 -11.975 2.090 214 HA GLU 25 HA GLU 25 11.458 -9.387 1.269 215 HB2 GLU 25 HB2 GLU 25 12.817 -9.797 3.125 216 HB3 GLU 25 HB1 GLU 25 13.650 -11.097 2.374 217 HG2 GLU 25 HG2 GLU 25 14.136 -8.249 1.498 218 HG3 GLU 25 HG1 GLU 25 14.944 -8.961 2.894 219 H ASN 26 HN ASN 26 13.263 -12.037 -0.700 220 HA ASN 26 HA ASN 26 14.055 -9.950 -2.468 221 HB2 ASN 26 HB2 ASN 26 15.329 -12.129 -2.407 222 HB3 ASN 26 HB1 ASN 26 13.935 -12.896 -3.210 223 HD21 ASN 26 HD21 ASN 26 16.601 -10.699 -3.559 224 HD22 ASN 26 HD22 ASN 26 16.593 -10.669 -5.288 225 H GLU 27 HN GLU 27 11.577 -12.602 -3.301 226 HA GLU 27 HA GLU 27 10.866 -11.096 -5.597 227 HB2 GLU 27 HB2 GLU 27 10.629 -13.640 -5.286 228 HB3 GLU 27 HB1 GLU 27 9.125 -13.297 -4.457 229 HG2 GLU 27 HG2 GLU 27 8.254 -12.237 -6.551 230 HG3 GLU 27 HG1 GLU 27 9.750 -12.707 -7.363 231 H PHE 28 HN PHE 28 9.480 -11.039 -2.308 232 HA PHE 28 HA PHE 28 7.195 -9.555 -3.282 233 HB2 PHE 28 HB2 PHE 28 8.000 -10.627 -0.697 234 HB3 PHE 28 HB1 PHE 28 7.079 -9.130 -0.653 235 HD1 PHE 28 HD1 PHE 28 6.858 -12.715 -1.890 236 HD2 PHE 28 HD2 PHE 28 4.782 -9.193 -0.682 237 HE1 PHE 28 HE1 PHE 28 4.774 -13.963 -1.800 238 HE2 PHE 28 HE2 PHE 28 2.678 -10.456 -0.584 239 HZ PHE 28 HZ PHE 28 2.674 -12.856 -1.159 240 H ARG 29 HN ARG 29 10.241 -8.615 -1.338 241 HA ARG 29 HA ARG 29 9.806 -5.945 -1.438 242 HB2 ARG 29 HB2 ARG 29 11.976 -5.376 -1.260 243 HB3 ARG 29 HB1 ARG 29 12.149 -7.085 -0.918 244 HG2 ARG 29 HG2 ARG 29 13.206 -7.499 -2.989 245 HG3 ARG 29 HG1 ARG 29 12.477 -6.080 -3.736 246 HD2 ARG 29 HD2 ARG 29 13.917 -4.780 -1.990 247 HD3 ARG 29 HD1 ARG 29 14.861 -6.277 -1.964 248 HE ARG 29 HE ARG 29 15.586 -5.830 -4.073 249 HH11 ARG 29 HH12 ARG 29 12.906 -3.686 -3.323 250 HH12 ARG 29 HH11 ARG 29 13.128 -2.721 -4.733 251 HH21 ARG 29 HH22 ARG 29 15.861 -4.533 -5.922 252 HH22 ARG 29 HH21 ARG 29 14.803 -3.199 -6.210 253 H LYS 30 HN LYS 30 10.607 -7.674 -4.689 254 HA LYS 30 HA LYS 30 10.332 -5.235 -6.017 255 HB2 LYS 30 HB2 LYS 30 10.417 -6.525 -7.832 256 HB3 LYS 30 HB1 LYS 30 9.923 -7.931 -6.917 257 HG2 LYS 30 HG2 LYS 30 8.518 -7.703 -8.858 258 HG3 LYS 30 HG1 LYS 30 7.524 -7.383 -7.456 259 HD2 LYS 30 HD2 LYS 30 8.174 -4.851 -8.085 260 HD3 LYS 30 HD1 LYS 30 8.301 -5.554 -9.700 261 HE2 LYS 30 HE2 LYS 30 5.862 -5.848 -7.886 262 HE3 LYS 30 HE1 LYS 30 6.043 -4.573 -9.090 263 HZ1 LYS 30 HZ1 LYS 30 6.187 -6.240 -10.816 264 HZ2 LYS 30 HZ2 LYS 30 4.776 -6.438 -9.886 265 HZ3 LYS 30 HZ3 LYS 30 6.088 -7.467 -9.648 266 H TYR 31 HN TYR 31 7.479 -6.919 -4.687 267 HA TYR 31 HA TYR 31 5.778 -5.008 -6.008 268 HB2 TYR 31 HB2 TYR 31 5.045 -7.100 -3.985 269 HB3 TYR 31 HB1 TYR 31 3.915 -6.183 -4.937 270 HD1 TYR 31 HD1 TYR 31 3.636 -6.768 -7.421 271 HD2 TYR 31 HD2 TYR 31 6.112 -9.077 -4.853 272 HE1 TYR 31 HE1 TYR 31 3.581 -8.645 -9.043 273 HE2 TYR 31 HE2 TYR 31 6.081 -10.930 -6.438 274 HH TYR 31 HH TYR 31 4.595 -11.748 -8.273 275 H GLY 32 HN GLY 32 6.597 -5.530 -2.428 276 HA2 GLY 32 HA2 GLY 32 6.189 -2.632 -2.275 277 HA3 GLY 32 HA1 GLY 32 5.574 -3.688 -1.023 278 H ASN 33 HN ASN 33 7.341 -1.582 -0.428 279 HA ASN 33 HA ASN 33 10.052 -2.634 -0.617 280 HB2 ASN 33 HB2 ASN 33 9.157 -0.043 -0.722 281 HB3 ASN 33 HB1 ASN 33 9.634 -0.188 0.961 282 HD21 ASN 33 HD21 ASN 33 10.765 1.480 -1.018 283 HD22 ASN 33 HD22 ASN 33 12.427 1.020 -1.180 284 H ILE 34 HN ILE 34 10.569 -4.129 0.907 285 HA ILE 34 HA ILE 34 9.228 -4.310 3.386 286 HB ILE 34 HB ILE 34 9.736 -6.397 2.752 287 HG12 ILE 34 HG12 ILE 34 10.797 -5.824 5.117 288 HG13 ILE 34 HG11 ILE 34 10.875 -7.434 4.417 289 HG21 ILE 34 HG21 ILE 34 12.446 -5.457 1.855 290 HG22 ILE 34 HG22 ILE 34 11.079 -5.963 0.863 291 HG23 ILE 34 HG23 ILE 34 11.936 -7.145 1.847 292 HD11 ILE 34 HD11 ILE 34 13.193 -6.749 3.585 293 HD12 ILE 34 HD12 ILE 34 13.002 -7.032 5.298 294 HD13 ILE 34 HD13 ILE 34 13.062 -5.384 4.678 295 H LEU 35 HN LEU 35 9.453 -3.235 5.267 296 HA LEU 35 HA LEU 35 12.157 -2.269 5.951 297 HB2 LEU 35 HB2 LEU 35 9.976 -1.278 7.764 298 HB3 LEU 35 HB1 LEU 35 11.406 -0.486 7.171 299 HG LEU 35 HG LEU 35 9.340 -0.831 5.099 300 HD11 LEU 35 HD11 LEU 35 7.870 -0.445 7.011 301 HD12 LEU 35 HD12 LEU 35 7.935 0.996 6.000 302 HD13 LEU 35 HD13 LEU 35 8.850 0.938 7.502 303 HD21 LEU 35 HD21 LEU 35 11.138 1.391 6.078 304 HD22 LEU 35 HD22 LEU 35 9.839 1.700 4.936 305 HD23 LEU 35 HD23 LEU 35 11.142 0.602 4.496 306 H LYS 36 HN LYS 36 10.042 -4.797 6.526 307 HA LYS 36 HA LYS 36 11.185 -5.593 9.096 308 HB2 LYS 36 HB2 LYS 36 9.163 -3.815 9.284 309 HB3 LYS 36 HB1 LYS 36 8.230 -5.296 9.174 310 HG2 LYS 36 HG2 LYS 36 10.407 -5.162 11.197 311 HG3 LYS 36 HG1 LYS 36 8.916 -4.269 11.478 312 HD2 LYS 36 HD2 LYS 36 7.731 -6.488 10.903 313 HD3 LYS 36 HD1 LYS 36 9.310 -7.214 11.197 314 HE2 LYS 36 HE2 LYS 36 7.902 -7.268 13.197 315 HE3 LYS 36 HE1 LYS 36 9.340 -6.285 13.433 316 HZ1 LYS 36 HZ1 LYS 36 8.041 -4.310 13.155 317 HZ2 LYS 36 HZ2 LYS 36 7.288 -5.278 14.317 318 HZ3 LYS 36 HZ3 LYS 36 6.662 -5.197 12.745 319 H CYS 37 HN CYS 37 11.221 -7.962 8.968 320 HA CYS 37 HA CYS 37 8.837 -9.265 7.849 321 HB2 CYS 37 HB2 CYS 37 10.549 -10.935 6.741 322 HB3 CYS 37 HB1 CYS 37 10.102 -9.456 5.883 323 HG CYS 37 HG CYS 37 12.857 -9.424 7.865 324 H ASP 38 HN ASP 38 8.166 -10.257 9.670 325 HA ASP 38 HA ASP 38 10.322 -11.842 11.070 326 HB2 ASP 38 HB2 ASP 38 8.974 -9.952 12.306 327 HB3 ASP 38 HB1 ASP 38 7.743 -11.231 12.471 328 H VAL 39 HN VAL 39 9.905 -13.978 11.774 329 HA VAL 39 HA VAL 39 7.612 -15.235 10.442 330 HB VAL 39 HB VAL 39 10.350 -16.553 11.093 331 HG11 VAL 39 HG11 VAL 39 8.051 -18.111 9.955 332 HG12 VAL 39 HG12 VAL 39 8.471 -18.086 11.675 333 HG13 VAL 39 HG13 VAL 39 9.625 -18.690 10.492 334 HG21 VAL 39 HG21 VAL 39 9.020 -16.782 8.403 335 HG22 VAL 39 HG22 VAL 39 10.701 -17.052 8.853 336 HG23 VAL 39 HG23 VAL 39 10.080 -15.404 8.784 337 H LYS 40 HN LYS 40 6.045 -16.058 11.828 338 HA LYS 40 HA LYS 40 6.902 -16.495 14.605 339 HB2 LYS 40 HB2 LYS 40 4.304 -15.261 13.580 340 HB3 LYS 40 HB1 LYS 40 4.677 -15.481 15.291 341 HG2 LYS 40 HG2 LYS 40 6.793 -14.039 14.597 342 HG3 LYS 40 HG1 LYS 40 5.694 -13.505 13.331 343 HD2 LYS 40 HD2 LYS 40 4.933 -13.489 16.248 344 HD3 LYS 40 HD1 LYS 40 5.728 -12.118 15.480 345 HE2 LYS 40 HE2 LYS 40 3.841 -11.826 13.984 346 HE3 LYS 40 HE1 LYS 40 3.077 -13.286 14.612 347 HZ1 LYS 40 HZ1 LYS 40 2.273 -11.084 15.532 348 HZ2 LYS 40 HZ2 LYS 40 3.744 -11.000 16.364 349 HZ3 LYS 40 HZ3 LYS 40 2.673 -12.270 16.667 350 H LYS 41 HN LYS 41 6.125 -18.546 15.689 351 HA LYS 41 HA LYS 41 4.871 -20.151 13.567 352 HB2 LYS 41 HB2 LYS 41 7.498 -20.516 14.069 353 HB3 LYS 41 HB1 LYS 41 6.858 -21.524 15.336 354 HG2 LYS 41 HG2 LYS 41 7.559 -22.568 13.105 355 HG3 LYS 41 HG1 LYS 41 6.085 -23.119 13.904 356 HD2 LYS 41 HD2 LYS 41 5.741 -22.769 11.509 357 HD3 LYS 41 HD1 LYS 41 4.775 -21.668 12.458 358 HE2 LYS 41 HE2 LYS 41 5.655 -20.301 10.782 359 HE3 LYS 41 HE1 LYS 41 6.677 -20.001 12.182 360 HZ1 LYS 41 HZ1 LYS 41 7.999 -20.296 10.173 361 HZ2 LYS 41 HZ2 LYS 41 7.344 -21.836 9.947 362 HZ3 LYS 41 HZ3 LYS 41 8.324 -21.528 11.289 363 H THR 42 HN THR 42 3.002 -21.394 14.275 364 HA THR 42 HA THR 42 2.847 -21.441 17.116 365 HB THR 42 HB THR 42 0.893 -20.467 15.833 366 HG1 THR 42 HG1 THR 42 -0.161 -20.844 17.616 367 HG21 THR 42 HG21 THR 42 0.447 -23.367 15.167 368 HG22 THR 42 HG22 THR 42 0.343 -21.978 14.093 369 HG23 THR 42 HG23 THR 42 -0.898 -22.248 15.306 370 H VAL 43 HN VAL 43 1.923 -23.369 18.249 371 HA VAL 43 HA VAL 43 3.304 -25.768 17.497 372 HB VAL 43 HB VAL 43 1.257 -25.820 19.724 373 HG11 VAL 43 HG11 VAL 43 2.937 -27.177 20.840 374 HG12 VAL 43 HG12 VAL 43 4.019 -26.976 19.462 375 HG13 VAL 43 HG13 VAL 43 2.488 -27.834 19.266 376 HG21 VAL 43 HG21 VAL 43 2.828 -24.825 21.305 377 HG22 VAL 43 HG22 VAL 43 2.359 -23.657 20.075 378 HG23 VAL 43 HG23 VAL 43 3.939 -24.435 19.997 379 H SER 44 HN SER 44 0.323 -24.625 16.419 380 HA SER 44 HA SER 44 -1.027 -27.195 16.279 381 HB2 SER 44 HB2 SER 44 -2.214 -24.900 16.642 382 HB3 SER 44 HB1 SER 44 -1.899 -24.607 14.929 383 HG SER 44 HG SER 44 -3.944 -25.494 15.177 384 H GLY 45 HN GLY 45 1.571 -26.158 14.743 385 HA2 GLY 45 HA2 GLY 45 2.592 -26.980 12.838 386 HA3 GLY 45 HA1 GLY 45 1.081 -27.744 12.386 387 H ALA 46 HN ALA 46 0.130 -24.652 12.771 388 HA ALA 46 HA ALA 46 0.381 -24.098 9.961 389 HB1 ALA 46 HB1 ALA 46 -1.145 -22.586 12.113 390 HB2 ALA 46 HB2 ALA 46 -1.799 -23.772 10.987 391 HB3 ALA 46 HB3 ALA 46 -1.201 -22.232 10.395 392 H ALA 47 HN ALA 47 1.724 -22.553 9.030 393 HA ALA 47 HA ALA 47 3.556 -21.010 10.799 394 HB1 ALA 47 HB1 ALA 47 4.784 -22.465 9.273 395 HB2 ALA 47 HB2 ALA 47 5.003 -20.797 8.742 396 HB3 ALA 47 HB3 ALA 47 3.905 -21.859 7.879 397 H PHE 48 HN PHE 48 3.468 -18.641 10.574 398 HA PHE 48 HA PHE 48 1.848 -17.696 8.275 399 HB2 PHE 48 HB2 PHE 48 2.068 -16.113 10.859 400 HB3 PHE 48 HB1 PHE 48 0.761 -16.101 9.677 401 HD1 PHE 48 HD2 PHE 48 -0.785 -18.059 9.599 402 HD2 PHE 48 HD1 PHE 48 1.980 -17.446 12.727 403 HE1 PHE 48 HE2 PHE 48 -2.025 -19.612 10.974 404 HE2 PHE 48 HE1 PHE 48 0.767 -18.981 14.143 405 HZ PHE 48 HZ PHE 48 -1.280 -20.098 13.288 406 H ALA 49 HN ALA 49 2.868 -15.811 7.166 407 HA ALA 49 HA ALA 49 5.288 -14.895 8.527 408 HB1 ALA 49 HB1 ALA 49 5.853 -16.170 6.493 409 HB2 ALA 49 HB2 ALA 49 6.389 -14.502 6.358 410 HB3 ALA 49 HB3 ALA 49 4.933 -15.021 5.520 411 H PHE 50 HN PHE 50 5.741 -12.735 8.696 412 HA PHE 50 HA PHE 50 3.398 -11.036 8.416 413 HB2 PHE 50 HB2 PHE 50 4.122 -11.912 10.742 414 HB3 PHE 50 HB1 PHE 50 5.534 -10.857 10.572 415 HD1 PHE 50 HD1 PHE 50 1.856 -10.944 10.801 416 HD2 PHE 50 HD2 PHE 50 5.338 -8.500 10.893 417 HE1 PHE 50 HE1 PHE 50 0.504 -9.060 11.625 418 HE2 PHE 50 HE2 PHE 50 3.994 -6.615 11.720 419 HZ PHE 50 HZ PHE 50 1.576 -6.893 12.086 420 H ILE 51 HN ILE 51 3.787 -9.128 7.199 421 HA ILE 51 HA ILE 51 6.659 -8.473 6.580 422 HB ILE 51 HB ILE 51 5.207 -8.149 4.137 423 HG12 ILE 51 HG12 ILE 51 5.103 -11.072 4.982 424 HG13 ILE 51 HG11 ILE 51 3.713 -10.013 5.235 425 HG21 ILE 51 HG21 ILE 51 6.938 -9.690 3.317 426 HG22 ILE 51 HG22 ILE 51 7.307 -10.178 4.972 427 HG23 ILE 51 HG23 ILE 51 7.620 -8.523 4.451 428 HD11 ILE 51 HD11 ILE 51 4.939 -10.939 2.688 429 HD12 ILE 51 HD12 ILE 51 3.818 -9.582 2.731 430 HD13 ILE 51 HD13 ILE 51 3.303 -11.185 3.254 431 H GLU 52 HN GLU 52 6.856 -6.357 7.162 432 HA GLU 52 HA GLU 52 4.534 -4.640 6.727 433 HB2 GLU 52 HB2 GLU 52 6.913 -3.867 8.389 434 HB3 GLU 52 HB1 GLU 52 5.360 -3.073 8.325 435 HG2 GLU 52 HG2 GLU 52 4.356 -5.183 9.256 436 HG3 GLU 52 HG1 GLU 52 5.990 -5.760 9.535 437 H PHE 53 HN PHE 53 4.471 -3.384 4.896 438 HA PHE 53 HA PHE 53 7.027 -2.599 3.642 439 HB2 PHE 53 HB2 PHE 53 4.331 -2.964 2.331 440 HB3 PHE 53 HB1 PHE 53 5.789 -2.458 1.494 441 HD1 PHE 53 HD1 PHE 53 7.370 -4.649 3.350 442 HD2 PHE 53 HD2 PHE 53 4.135 -4.753 0.587 443 HE1 PHE 53 HE1 PHE 53 7.867 -6.987 2.838 444 HE2 PHE 53 HE2 PHE 53 4.618 -7.075 0.147 445 HZ PHE 53 HZ PHE 53 6.493 -8.212 1.232 446 H GLU 54 HN GLU 54 7.099 -0.482 2.383 447 HA GLU 54 HA GLU 54 5.689 1.589 3.872 448 HB2 GLU 54 HB2 GLU 54 6.804 3.322 2.767 449 HB3 GLU 54 HB1 GLU 54 8.004 2.094 2.992 450 HG2 GLU 54 HG2 GLU 54 7.367 1.437 0.495 451 HG3 GLU 54 HG1 GLU 54 6.756 3.094 0.448 452 H ASP 55 HN ASP 55 5.218 0.331 0.561 453 HA ASP 55 HA ASP 55 2.963 2.177 0.398 454 HB2 ASP 55 HB2 ASP 55 4.995 1.351 -1.444 455 HB3 ASP 55 HB1 ASP 55 3.435 0.887 -2.094 456 H ALA 56 HN ALA 56 1.060 1.126 1.008 457 HA ALA 56 HA ALA 56 0.731 -1.646 0.629 458 HB1 ALA 56 HB1 ALA 56 -1.171 0.484 1.579 459 HB2 ALA 56 HB2 ALA 56 -0.405 -0.838 2.449 460 HB3 ALA 56 HB3 ALA 56 -1.678 -1.181 1.299 461 H ARG 57 HN ARG 57 -0.008 0.957 -1.763 462 HA ARG 57 HA ARG 57 -1.938 -0.857 -2.917 463 HB2 ARG 57 HB2 ARG 57 -2.617 0.630 -4.538 464 HB3 ARG 57 HB1 ARG 57 -2.446 1.571 -3.079 465 HG2 ARG 57 HG2 ARG 57 -0.749 1.604 -5.595 466 HG3 ARG 57 HG1 ARG 57 -1.742 2.900 -4.950 467 HD2 ARG 57 HD2 ARG 57 0.121 2.610 -2.931 468 HD3 ARG 57 HD1 ARG 57 1.047 2.184 -4.364 469 HE ARG 57 HE ARG 57 -0.291 4.744 -3.887 470 HH11 ARG 57 HH11 ARG 57 2.061 2.815 -5.643 471 HH12 ARG 57 HH12 ARG 57 2.783 4.191 -6.403 472 HH21 ARG 57 HH21 ARG 57 0.730 6.554 -4.844 473 HH22 ARG 57 HH22 ARG 57 2.036 6.306 -5.955 474 H ASP 58 HN ASP 58 1.571 -0.215 -3.782 475 HA ASP 58 HA ASP 58 1.209 -1.850 -6.097 476 HB2 ASP 58 HB2 ASP 58 3.724 -0.743 -4.853 477 HB3 ASP 58 HB1 ASP 58 3.820 -1.957 -6.130 478 H ALA 59 HN ALA 59 2.286 -2.985 -2.788 479 HA ALA 59 HA ALA 59 2.724 -5.582 -3.262 480 HB1 ALA 59 HB1 ALA 59 1.253 -4.565 -0.827 481 HB2 ALA 59 HB2 ALA 59 2.994 -4.479 -1.100 482 HB3 ALA 59 HB3 ALA 59 2.210 -6.036 -0.962 483 H ALA 60 HN ALA 60 -0.427 -4.092 -3.487 484 HA ALA 60 HA ALA 60 -2.269 -6.021 -3.483 485 HB1 ALA 60 HB1 ALA 60 -3.043 -3.791 -3.729 486 HB2 ALA 60 HB2 ALA 60 -3.605 -4.652 -5.149 487 HB3 ALA 60 HB3 ALA 60 -2.215 -3.576 -5.275 488 H ASP 61 HN ASP 61 -0.137 -5.451 -6.457 489 HA ASP 61 HA ASP 61 -1.121 -7.521 -8.030 490 HB2 ASP 61 HB2 ASP 61 1.711 -6.578 -7.759 491 HB3 ASP 61 HB1 ASP 61 1.206 -7.804 -8.907 492 H ALA 62 HN ALA 62 1.445 -7.995 -5.525 493 HA ALA 62 HA ALA 62 1.514 -10.783 -5.732 494 HB1 ALA 62 HB1 ALA 62 2.328 -10.876 -3.367 495 HB2 ALA 62 HB2 ALA 62 2.104 -9.138 -3.262 496 HB3 ALA 62 HB3 ALA 62 3.229 -9.820 -4.424 497 H ILE 63 HN ILE 63 -0.725 -8.782 -3.699 498 HA ILE 63 HA ILE 63 -1.591 -11.244 -2.463 499 HB ILE 63 HB ILE 63 -1.797 -9.255 -1.141 500 HG12 ILE 63 HG12 ILE 63 -4.276 -10.870 -1.739 501 HG13 ILE 63 HG11 ILE 63 -3.131 -11.085 -0.425 502 HG21 ILE 63 HG21 ILE 63 -3.011 -7.407 -1.608 503 HG22 ILE 63 HG22 ILE 63 -4.284 -8.335 -2.399 504 HG23 ILE 63 HG23 ILE 63 -2.804 -7.969 -3.270 505 HD11 ILE 63 HD11 ILE 63 -5.259 -10.243 0.376 506 HD12 ILE 63 HD12 ILE 63 -5.121 -8.848 -0.686 507 HD13 ILE 63 HD13 ILE 63 -3.991 -9.059 0.632 508 H LYS 64 HN LYS 64 -3.517 -9.178 -4.819 509 HA LYS 64 HA LYS 64 -5.240 -11.200 -5.417 510 HB2 LYS 64 HB2 LYS 64 -5.535 -10.271 -7.694 511 HB3 LYS 64 HB1 LYS 64 -5.641 -9.069 -6.439 512 HG2 LYS 64 HG2 LYS 64 -4.423 -7.955 -8.062 513 HG3 LYS 64 HG1 LYS 64 -3.131 -8.588 -7.032 514 HD2 LYS 64 HD2 LYS 64 -2.457 -10.138 -8.609 515 HD3 LYS 64 HD1 LYS 64 -4.021 -10.209 -9.403 516 HE2 LYS 64 HE2 LYS 64 -2.333 -7.748 -9.485 517 HE3 LYS 64 HE1 LYS 64 -2.040 -9.081 -10.588 518 HZ1 LYS 64 HZ1 LYS 64 -4.269 -8.854 -11.408 519 HZ2 LYS 64 HZ2 LYS 64 -3.458 -7.382 -11.533 520 HZ3 LYS 64 HZ3 LYS 64 -4.599 -7.612 -10.309 521 H GLU 65 HN GLU 65 -1.776 -11.363 -6.453 522 HA GLU 65 HA GLU 65 -2.552 -13.448 -8.336 523 HB2 GLU 65 HB2 GLU 65 -0.354 -13.573 -9.111 524 HB3 GLU 65 HB1 GLU 65 -0.540 -11.886 -8.715 525 HG2 GLU 65 HG2 GLU 65 1.391 -12.045 -7.589 526 HG3 GLU 65 HG1 GLU 65 0.521 -13.012 -6.430 527 H LYS 66 HN LYS 66 -1.733 -13.334 -4.977 528 HA LYS 66 HA LYS 66 -1.662 -16.263 -4.967 529 HB2 LYS 66 HB2 LYS 66 -0.690 -14.572 -2.606 530 HB3 LYS 66 HB1 LYS 66 -0.300 -16.251 -2.991 531 HG2 LYS 66 HG2 LYS 66 0.646 -15.153 -5.205 532 HG3 LYS 66 HG1 LYS 66 0.704 -13.713 -4.193 533 HD2 LYS 66 HD2 LYS 66 2.350 -14.684 -2.770 534 HD3 LYS 66 HD1 LYS 66 2.135 -16.289 -3.479 535 HE2 LYS 66 HE2 LYS 66 2.975 -15.460 -5.651 536 HE3 LYS 66 HE1 LYS 66 3.206 -13.850 -4.977 537 HZ1 LYS 66 HZ1 LYS 66 4.911 -14.721 -3.544 538 HZ2 LYS 66 HZ2 LYS 66 5.242 -15.202 -5.132 539 HZ3 LYS 66 HZ3 LYS 66 4.589 -16.306 -4.031 540 H ASP 67 HN ASP 67 -4.150 -14.456 -5.113 541 HA ASP 67 HA ASP 67 -5.363 -14.733 -2.516 542 HB2 ASP 67 HB2 ASP 67 -6.981 -13.335 -2.879 543 HB3 ASP 67 HB1 ASP 67 -5.768 -12.654 -3.937 544 H GLY 68 HN GLY 68 -7.834 -15.467 -2.497 545 HA2 GLY 68 HA2 GLY 68 -8.990 -17.544 -3.023 546 HA3 GLY 68 HA1 GLY 68 -7.442 -18.201 -3.497 547 H CYS 69 HN CYS 69 -7.749 -16.274 -0.540 548 HA CYS 69 HA CYS 69 -6.468 -18.121 1.031 549 HB2 CYS 69 HB2 CYS 69 -7.910 -16.681 2.884 550 HB3 CYS 69 HB1 CYS 69 -6.470 -16.074 2.073 551 HG CYS 69 HG CYS 69 -9.709 -15.478 1.216 552 H ASP 70 HN ASP 70 -7.067 -20.032 1.929 553 HA ASP 70 HA ASP 70 -9.935 -20.582 2.047 554 HB2 ASP 70 HB2 ASP 70 -8.549 -21.453 -0.019 555 HB3 ASP 70 HB1 ASP 70 -8.109 -22.747 1.100 556 H PHE 71 HN PHE 71 -10.499 -22.600 3.338 557 HA PHE 71 HA PHE 71 -8.938 -23.116 5.639 558 HB2 PHE 71 HB2 PHE 71 -11.059 -22.170 7.024 559 HB3 PHE 71 HB1 PHE 71 -9.609 -21.217 6.759 560 HD1 PHE 71 HD1 PHE 71 -12.946 -21.883 5.164 561 HD2 PHE 71 HD2 PHE 71 -9.848 -19.064 5.974 562 HE1 PHE 71 HE1 PHE 71 -14.336 -20.082 4.221 563 HE2 PHE 71 HE2 PHE 71 -11.229 -17.277 5.010 564 HZ PHE 71 HZ PHE 71 -13.477 -17.777 4.148 565 H GLU 72 HN GLU 72 -9.859 -24.940 6.739 566 HA GLU 72 HA GLU 72 -11.172 -26.800 7.034 567 HB2 GLU 72 HB2 GLU 72 -13.340 -25.343 5.480 568 HB3 GLU 72 HB1 GLU 72 -13.567 -26.818 6.385 569 HG2 GLU 72 HG2 GLU 72 -12.675 -24.375 7.885 570 HG3 GLU 72 HG1 GLU 72 -14.312 -24.454 7.278 571 H GLY 73 HN GLY 73 -9.409 -27.489 5.345 572 HA2 GLY 73 HA2 GLY 73 -9.274 -29.517 4.153 573 HA3 GLY 73 HA1 GLY 73 -10.862 -29.226 3.491 574 H ASN 74 HN ASN 74 -9.890 -26.397 2.510 575 HA ASN 74 HA ASN 74 -7.495 -27.374 1.033 576 HB2 ASN 74 HB2 ASN 74 -8.883 -24.836 -0.066 577 HB3 ASN 74 HB1 ASN 74 -7.816 -25.992 -0.846 578 HD21 ASN 74 HD21 ASN 74 -11.041 -25.348 0.130 579 HD22 ASN 74 HD22 ASN 74 -11.784 -26.606 -0.803 580 H LYS 75 HN LYS 75 -5.545 -26.523 1.712 581 HA LYS 75 HA LYS 75 -5.964 -24.482 3.847 582 HB2 LYS 75 HB2 LYS 75 -4.308 -26.842 3.859 583 HB3 LYS 75 HB1 LYS 75 -3.213 -25.488 3.808 584 HG2 LYS 75 HG2 LYS 75 -3.345 -25.353 6.021 585 HG3 LYS 75 HG1 LYS 75 -5.021 -24.869 5.882 586 HD2 LYS 75 HD2 LYS 75 -4.546 -27.821 5.801 587 HD3 LYS 75 HD1 LYS 75 -4.144 -27.022 7.307 588 HE2 LYS 75 HE2 LYS 75 -6.825 -26.408 6.109 589 HE3 LYS 75 HE1 LYS 75 -6.565 -27.967 6.907 590 HZ1 LYS 75 HZ1 LYS 75 -6.110 -25.291 8.114 591 HZ2 LYS 75 HZ2 LYS 75 -5.847 -26.773 8.886 592 HZ3 LYS 75 HZ3 LYS 75 -7.413 -26.321 8.439 593 H LEU 76 HN LEU 76 -5.844 -22.320 2.881 594 HA LEU 76 HA LEU 76 -3.291 -21.687 1.566 595 HB2 LEU 76 HB2 LEU 76 -5.707 -22.271 -0.001 596 HB3 LEU 76 HB1 LEU 76 -5.004 -20.720 -0.363 597 HG LEU 76 HG LEU 76 -3.061 -22.906 -0.338 598 HD11 LEU 76 HD11 LEU 76 -3.819 -23.811 -2.493 599 HD12 LEU 76 HD12 LEU 76 -5.284 -22.838 -2.372 600 HD13 LEU 76 HD13 LEU 76 -4.983 -24.126 -1.208 601 HD21 LEU 76 HD21 LEU 76 -2.349 -21.797 -2.375 602 HD22 LEU 76 HD22 LEU 76 -2.603 -20.607 -1.096 603 HD23 LEU 76 HD23 LEU 76 -3.810 -20.810 -2.363 604 H ARG 77 HN ARG 77 -3.645 -19.886 3.674 605 HA ARG 77 HA ARG 77 -5.671 -17.912 2.864 606 HB2 ARG 77 HB2 ARG 77 -6.316 -18.159 5.003 607 HB3 ARG 77 HB1 ARG 77 -4.883 -19.074 5.394 608 HG2 ARG 77 HG2 ARG 77 -4.635 -17.389 6.920 609 HG3 ARG 77 HG1 ARG 77 -3.790 -16.672 5.560 610 HD2 ARG 77 HD2 ARG 77 -5.492 -15.258 6.928 611 HD3 ARG 77 HD1 ARG 77 -5.421 -15.068 5.193 612 HE ARG 77 HE ARG 77 -7.357 -17.031 5.934 613 HH11 ARG 77 HH11 ARG 77 -6.885 -13.594 5.896 614 HH12 ARG 77 HH12 ARG 77 -8.565 -13.215 5.775 615 HH21 ARG 77 HH21 ARG 77 -9.579 -16.579 5.737 616 HH22 ARG 77 HH22 ARG 77 -10.118 -14.939 5.684 617 H VAL 78 HN VAL 78 -4.779 -16.160 1.548 618 HA VAL 78 HA VAL 78 -2.459 -14.895 2.867 619 HB VAL 78 HB VAL 78 -3.183 -14.434 -0.124 620 HG11 VAL 78 HG11 VAL 78 -2.015 -12.583 1.024 621 HG12 VAL 78 HG12 VAL 78 -1.001 -13.348 -0.194 622 HG13 VAL 78 HG13 VAL 78 -0.720 -13.676 1.515 623 HG21 VAL 78 HG21 VAL 78 -1.214 -16.366 1.164 624 HG22 VAL 78 HG22 VAL 78 -0.882 -15.646 -0.399 625 HG23 VAL 78 HG23 VAL 78 -2.312 -16.636 -0.183 626 H GLU 79 HN GLU 79 -3.357 -13.075 4.155 627 HA GLU 79 HA GLU 79 -4.849 -11.316 2.361 628 HB2 GLU 79 HB2 GLU 79 -6.346 -12.718 4.056 629 HB3 GLU 79 HB1 GLU 79 -5.902 -11.404 5.151 630 HG2 GLU 79 HG2 GLU 79 -6.746 -9.833 3.329 631 HG3 GLU 79 HG1 GLU 79 -7.430 -11.267 2.558 632 H VAL 80 HN VAL 80 -4.413 -9.214 2.540 633 HA VAL 80 HA VAL 80 -2.480 -8.270 4.409 634 HB VAL 80 HB VAL 80 -2.693 -6.137 3.237 635 HG11 VAL 80 HG11 VAL 80 -1.208 -7.407 2.091 636 HG12 VAL 80 HG12 VAL 80 -2.413 -7.205 0.823 637 HG13 VAL 80 HG13 VAL 80 -2.363 -8.688 1.780 638 HG21 VAL 80 HG21 VAL 80 -4.999 -7.433 1.765 639 HG22 VAL 80 HG22 VAL 80 -4.191 -5.947 1.257 640 HG23 VAL 80 HG23 VAL 80 -5.050 -6.005 2.793 641 HA PRO 81 HA PRO 81 -5.669 -6.506 7.117 642 HB2 PRO 81 HB2 PRO 81 -4.017 -5.960 9.206 643 HB3 PRO 81 HB1 PRO 81 -4.700 -7.572 8.925 644 HG2 PRO 81 HG2 PRO 81 -1.963 -6.581 8.443 645 HG3 PRO 81 HG1 PRO 81 -2.516 -8.207 8.869 646 HD2 PRO 81 HD2 PRO 81 -1.792 -7.321 6.330 647 HD3 PRO 81 HD1 PRO 81 -2.656 -8.822 6.707 648 H PHE 82 HN PHE 82 -3.838 -5.137 4.997 649 HA PHE 82 HA PHE 82 -3.891 -2.509 6.312 650 HB2 PHE 82 HB2 PHE 82 -2.470 -1.592 4.496 651 HB3 PHE 82 HB1 PHE 82 -1.663 -2.785 5.476 652 HD1 PHE 82 HD2 PHE 82 -3.660 -2.801 2.265 653 HD2 PHE 82 HD1 PHE 82 -0.141 -4.027 4.323 654 HE1 PHE 82 HE2 PHE 82 -2.812 -3.829 0.205 655 HE2 PHE 82 HE1 PHE 82 0.723 -5.034 2.277 656 HZ PHE 82 HZ PHE 82 -0.621 -4.942 0.202 657 H ASN 83 HN ASN 83 -5.177 -4.381 3.752 658 HA ASN 83 HA ASN 83 -6.703 -4.097 2.094 659 HB2 ASN 83 HB2 ASN 83 -7.921 -2.340 4.243 660 HB3 ASN 83 HB1 ASN 83 -8.740 -2.732 2.737 661 HD21 ASN 83 HD21 ASN 83 -10.382 -3.848 3.699 662 HD22 ASN 83 HD22 ASN 83 -10.171 -5.391 4.448 663 H ALA 84 HN ALA 84 -4.872 -2.904 0.847 664 HA ALA 84 HA ALA 84 -4.309 -1.427 -0.756 665 HB1 ALA 84 HB1 ALA 84 -5.990 -0.113 -1.868 666 HB2 ALA 84 HB2 ALA 84 -7.063 -0.221 -0.470 667 HB3 ALA 84 HB3 ALA 84 -6.701 -1.660 -1.415 668 H ARG 85 HN ARG 85 -5.193 1.518 -0.845 669 HA ARG 85 HA ARG 85 -3.104 2.231 1.163 670 HB2 ARG 85 HB2 ARG 85 -3.597 3.325 -1.526 671 HB3 ARG 85 HB1 ARG 85 -3.388 4.543 -0.291 672 HG2 ARG 85 HG2 ARG 85 -1.352 2.503 -1.175 673 HG3 ARG 85 HG1 ARG 85 -1.325 4.233 -1.416 674 HD2 ARG 85 HD2 ARG 85 -1.267 4.440 1.132 675 HD3 ARG 85 HD1 ARG 85 -0.868 2.719 1.135 676 HE ARG 85 HE ARG 85 0.927 3.702 -0.613 677 HH11 ARG 85 HH12 ARG 85 0.095 4.748 2.644 678 HH12 ARG 85 HH11 ARG 85 1.668 5.368 2.978 679 HH21 ARG 85 HH21 ARG 85 2.984 4.562 -0.185 680 HH22 ARG 85 HH22 ARG 85 3.317 5.264 1.365 681 H GLU 86 HN GLU 86 -5.497 4.472 -0.275 682 HA GLU 86 HA GLU 86 -6.549 4.940 2.428 683 HB2 GLU 86 HB2 GLU 86 -6.123 6.826 0.104 684 HB3 GLU 86 HB1 GLU 86 -7.111 7.250 1.494 685 HG2 GLU 86 HG2 GLU 86 -5.285 7.411 2.909 686 HG3 GLU 86 HG1 GLU 86 -4.297 6.327 1.938 Start of MODEL 9 1 H1 GLY -2 HT1 GLY -2 -17.731 -0.154 -0.874 2 H2 GLY -2 HT2 GLY -2 -16.182 -0.498 -0.286 3 H3 GLY -2 HT3 GLY -2 -16.685 -1.133 -1.770 4 HA2 GLY -2 HA1 GLY -2 -15.189 0.718 -2.130 5 HA3 GLY -2 HA2 GLY -2 -16.804 1.077 -2.725 6 H SER -1 HN SER -1 -14.331 1.910 -0.496 7 HA SER -1 HA SER -1 -15.734 4.352 0.231 8 HB2 SER -1 HB2 SER -1 -14.915 3.963 2.646 9 HB3 SER -1 HB1 SER -1 -16.321 3.045 2.114 10 HG SER -1 HG SER -1 -13.627 2.132 2.363 11 H HIS 0 HN HIS 0 -14.199 5.997 1.105 12 HA HIS 0 HA HIS 0 -11.356 5.412 0.815 13 HB2 HIS 0 HB2 HIS 0 -12.739 7.591 -0.775 14 HB3 HIS 0 HB1 HIS 0 -11.004 7.536 -0.533 15 HD1 HIS 0 HD1 HIS 0 -13.546 6.505 -2.847 16 HD2 HIS 0 HD2 HIS 0 -9.854 5.023 -1.664 17 HE1 HIS 0 HE1 HIS 0 -12.871 4.879 -4.638 18 HE2 HIS 0 HE2 HIS 0 -10.808 3.761 -3.708 19 H MET 1 HN MET 1 -10.343 6.207 2.574 20 HA MET 1 HA MET 1 -11.267 8.747 3.721 21 HB2 MET 1 HB2 MET 1 -11.002 6.136 5.181 22 HB3 MET 1 HB1 MET 1 -10.734 7.651 6.035 23 HG2 MET 1 HG2 MET 1 -12.945 8.397 5.558 24 HG3 MET 1 HG1 MET 1 -13.227 7.034 4.479 25 HE1 MET 1 HE1 MET 1 -15.266 7.821 6.913 26 HE2 MET 1 HE2 MET 1 -15.661 6.157 7.342 27 HE3 MET 1 HE3 MET 1 -15.458 6.605 5.651 28 H VAL 2 HN VAL 2 -9.629 9.429 5.556 29 HA VAL 2 HA VAL 2 -7.009 9.367 4.248 30 HB VAL 2 HB VAL 2 -6.440 11.367 5.626 31 HG11 VAL 2 HG11 VAL 2 -7.859 12.948 4.375 32 HG12 VAL 2 HG12 VAL 2 -8.902 11.607 3.900 33 HG13 VAL 2 HG13 VAL 2 -7.224 11.655 3.358 34 HG21 VAL 2 HG21 VAL 2 -9.345 11.252 6.455 35 HG22 VAL 2 HG22 VAL 2 -8.260 12.612 6.741 36 HG23 VAL 2 HG23 VAL 2 -7.943 11.055 7.507 37 H ILE 3 HN ILE 3 -5.114 8.887 5.293 38 HA ILE 3 HA ILE 3 -5.305 7.772 8.016 39 HB ILE 3 HB ILE 3 -3.703 5.957 7.366 40 HG12 ILE 3 HG12 ILE 3 -4.145 6.815 4.492 41 HG13 ILE 3 HG11 ILE 3 -2.696 7.219 5.411 42 HG21 ILE 3 HG21 ILE 3 -5.266 4.558 6.042 43 HG22 ILE 3 HG22 ILE 3 -6.243 5.990 5.710 44 HG23 ILE 3 HG23 ILE 3 -6.077 5.398 7.363 45 HD11 ILE 3 HD11 ILE 3 -2.286 5.318 3.984 46 HD12 ILE 3 HD12 ILE 3 -3.646 4.450 4.697 47 HD13 ILE 3 HD13 ILE 3 -2.226 4.821 5.676 48 H ARG 4 HN ARG 4 -3.695 8.617 9.473 49 HA ARG 4 HA ARG 4 -1.247 9.613 8.234 50 HB2 ARG 4 HB2 ARG 4 -3.098 10.978 10.130 51 HB3 ARG 4 HB1 ARG 4 -1.371 11.209 10.371 52 HG2 ARG 4 HG2 ARG 4 -1.151 12.103 8.114 53 HG3 ARG 4 HG1 ARG 4 -2.855 11.766 7.806 54 HD2 ARG 4 HD2 ARG 4 -3.571 13.408 9.349 55 HD3 ARG 4 HD1 ARG 4 -1.956 13.578 10.038 56 HE ARG 4 HE ARG 4 -1.335 14.909 8.232 57 HH11 ARG 4 HH11 ARG 4 -4.622 13.739 7.758 58 HH12 ARG 4 HH12 ARG 4 -4.970 14.870 6.492 59 HH21 ARG 4 HH21 ARG 4 -1.820 16.387 6.555 60 HH22 ARG 4 HH22 ARG 4 -3.386 16.364 5.812 61 H GLU 5 HN GLU 5 0.425 8.311 9.061 62 HA GLU 5 HA GLU 5 1.939 7.623 10.641 63 HB2 GLU 5 HB2 GLU 5 -0.110 8.606 12.634 64 HB3 GLU 5 HB1 GLU 5 1.331 7.784 13.139 65 HG2 GLU 5 HG2 GLU 5 2.678 9.740 12.082 66 HG3 GLU 5 HG1 GLU 5 1.117 10.534 11.844 67 H SER 6 HN SER 6 1.293 5.521 9.527 68 HA SER 6 HA SER 6 0.120 3.709 11.497 69 HB2 SER 6 HB2 SER 6 -1.696 4.500 9.889 70 HB3 SER 6 HB1 SER 6 -0.820 3.659 8.611 71 HG SER 6 HG SER 6 -2.561 2.651 10.328 72 H VAL 7 HN VAL 7 0.439 1.351 10.772 73 HA VAL 7 HA VAL 7 2.917 1.056 9.183 74 HB VAL 7 HB VAL 7 2.840 -1.253 10.737 75 HG11 VAL 7 HG11 VAL 7 4.833 -0.167 10.048 76 HG12 VAL 7 HG12 VAL 7 4.871 -0.335 11.803 77 HG13 VAL 7 HG13 VAL 7 4.497 1.227 11.073 78 HG21 VAL 7 HG21 VAL 7 2.821 -0.656 13.073 79 HG22 VAL 7 HG22 VAL 7 1.258 -0.240 12.378 80 HG23 VAL 7 HG23 VAL 7 2.452 1.026 12.707 81 H SER 8 HN SER 8 2.462 0.164 7.359 82 HA SER 8 HA SER 8 0.113 -1.515 7.042 83 HB2 SER 8 HB2 SER 8 0.071 -0.520 5.006 84 HB3 SER 8 HB1 SER 8 1.611 0.261 5.344 85 HG SER 8 HG SER 8 2.663 -1.260 4.262 86 H ARG 9 HN ARG 9 0.119 -3.685 7.065 87 HA ARG 9 HA ARG 9 2.646 -5.101 6.585 88 HB2 ARG 9 HB2 ARG 9 2.051 -6.592 8.700 89 HB3 ARG 9 HB1 ARG 9 2.981 -5.104 8.869 90 HG2 ARG 9 HG2 ARG 9 0.806 -3.929 9.366 91 HG3 ARG 9 HG1 ARG 9 0.044 -5.520 9.417 92 HD2 ARG 9 HD2 ARG 9 1.044 -6.078 11.388 93 HD3 ARG 9 HD1 ARG 9 2.476 -5.096 11.079 94 HE ARG 9 HE ARG 9 0.178 -3.468 11.424 95 HH11 ARG 9 HH11 ARG 9 2.516 -5.348 13.278 96 HH12 ARG 9 HH12 ARG 9 2.324 -4.393 14.710 97 HH21 ARG 9 HH22 ARG 9 -0.016 -2.193 13.322 98 HH22 ARG 9 HH21 ARG 9 0.894 -2.612 14.736 99 H ILE 10 HN ILE 10 2.389 -7.590 6.212 100 HA ILE 10 HA ILE 10 -0.349 -8.174 5.262 101 HB ILE 10 HB ILE 10 2.290 -9.137 4.085 102 HG12 ILE 10 HG12 ILE 10 0.364 -7.007 3.302 103 HG13 ILE 10 HG11 ILE 10 2.103 -7.062 3.085 104 HG21 ILE 10 HG21 ILE 10 -0.494 -9.877 3.117 105 HG22 ILE 10 HG22 ILE 10 0.609 -10.940 3.986 106 HG23 ILE 10 HG23 ILE 10 1.023 -10.368 2.372 107 HD11 ILE 10 HD11 ILE 10 0.035 -8.352 1.298 108 HD12 ILE 10 HD12 ILE 10 1.749 -8.405 1.029 109 HD13 ILE 10 HD13 ILE 10 0.912 -6.882 0.968 110 H TYR 11 HN TYR 11 -1.289 -10.065 5.851 111 HA TYR 11 HA TYR 11 0.175 -11.679 7.853 112 HB2 TYR 11 HB2 TYR 11 -1.925 -10.408 8.488 113 HB3 TYR 11 HB1 TYR 11 -2.829 -11.481 7.429 114 HD1 TYR 11 HD2 TYR 11 -1.013 -11.190 10.595 115 HD2 TYR 11 HD1 TYR 11 -3.290 -13.783 8.097 116 HE1 TYR 11 HE2 TYR 11 -1.323 -12.737 12.485 117 HE2 TYR 11 HE1 TYR 11 -3.615 -15.318 9.988 118 HH TYR 11 HH TYR 11 -2.905 -14.482 13.187 119 H VAL 12 HN VAL 12 0.821 -13.897 7.112 120 HA VAL 12 HA VAL 12 -0.914 -15.005 4.986 121 HB VAL 12 HB VAL 12 2.176 -15.340 5.101 122 HG11 VAL 12 HG11 VAL 12 1.077 -17.270 4.052 123 HG12 VAL 12 HG12 VAL 12 2.132 -16.374 2.971 124 HG13 VAL 12 HG13 VAL 12 0.391 -16.202 2.821 125 HG21 VAL 12 HG21 VAL 12 1.752 -13.093 4.465 126 HG22 VAL 12 HG22 VAL 12 0.574 -13.586 3.262 127 HG23 VAL 12 HG23 VAL 12 2.271 -14.001 3.047 128 H GLY 13 HN GLY 13 -2.033 -16.715 5.968 129 HA2 GLY 13 HA2 GLY 13 -0.310 -18.394 7.746 130 HA3 GLY 13 HA1 GLY 13 -1.999 -18.083 8.103 131 H ASN 14 HN ASN 14 -1.075 -20.699 8.036 132 HA ASN 14 HA ASN 14 -1.375 -22.773 7.081 133 HB2 ASN 14 HB2 ASN 14 -3.832 -21.544 5.868 134 HB3 ASN 14 HB1 ASN 14 -3.591 -23.209 6.362 135 HD21 ASN 14 HD21 ASN 14 -3.484 -23.663 8.646 136 HD22 ASN 14 HD22 ASN 14 -4.277 -22.618 9.770 137 H LEU 15 HN LEU 15 0.171 -20.959 5.284 138 HA LEU 15 HA LEU 15 -0.483 -21.362 2.573 139 HB2 LEU 15 HB2 LEU 15 1.531 -20.124 2.127 140 HB3 LEU 15 HB1 LEU 15 0.771 -19.387 3.523 141 HG LEU 15 HG LEU 15 2.913 -21.380 4.094 142 HD11 LEU 15 HD11 LEU 15 3.849 -20.111 2.193 143 HD12 LEU 15 HD12 LEU 15 4.683 -19.753 3.702 144 HD13 LEU 15 HD13 LEU 15 3.518 -18.602 3.045 145 HD21 LEU 15 HD21 LEU 15 2.447 -18.617 5.215 146 HD22 LEU 15 HD22 LEU 15 3.363 -19.942 5.935 147 HD23 LEU 15 HD23 LEU 15 1.608 -20.042 5.815 148 HA PRO 16 HA PRO 16 1.693 -25.240 2.022 149 HB2 PRO 16 HB2 PRO 16 2.019 -25.278 -0.675 150 HB3 PRO 16 HB1 PRO 16 0.439 -25.516 0.096 151 HG2 PRO 16 HG2 PRO 16 1.565 -23.116 -1.236 152 HG3 PRO 16 HG1 PRO 16 -0.098 -23.742 -1.243 153 HD2 PRO 16 HD2 PRO 16 0.803 -21.657 0.310 154 HD3 PRO 16 HD1 PRO 16 -0.638 -22.619 0.657 155 H SER 17 HN SER 17 3.926 -25.751 2.303 156 HA SER 17 HA SER 17 6.098 -25.413 2.669 157 HB2 SER 17 HB2 SER 17 7.586 -24.721 0.860 158 HB3 SER 17 HB1 SER 17 6.402 -25.875 0.278 159 HG SER 17 HG SER 17 5.455 -23.401 -0.109 160 H HIS 18 HN HIS 18 6.505 -24.221 4.346 161 HA HIS 18 HA HIS 18 5.774 -21.544 4.695 162 HB2 HIS 18 HB2 HIS 18 7.339 -21.564 6.659 163 HB3 HIS 18 HB1 HIS 18 6.165 -22.861 6.651 164 HD1 HIS 18 HD1 HIS 18 7.093 -25.290 6.277 165 HD2 HIS 18 HD2 HIS 18 10.021 -22.355 6.532 166 HE1 HIS 18 HE1 HIS 18 9.254 -26.518 6.606 167 HE2 HIS 18 HE2 HIS 18 11.023 -24.742 6.436 168 H VAL 19 HN VAL 19 6.550 -19.703 4.085 169 HA VAL 19 HA VAL 19 8.799 -19.633 2.334 170 HB VAL 19 HB VAL 19 6.902 -18.359 1.655 171 HG11 VAL 19 HG11 VAL 19 5.741 -17.916 3.726 172 HG12 VAL 19 HG12 VAL 19 5.944 -16.427 2.820 173 HG13 VAL 19 HG13 VAL 19 6.967 -16.752 4.219 174 HG21 VAL 19 HG21 VAL 19 9.090 -16.479 2.401 175 HG22 VAL 19 HG22 VAL 19 7.661 -16.001 1.481 176 HG23 VAL 19 HG23 VAL 19 8.737 -17.246 0.845 177 H SER 20 HN SER 20 10.981 -19.382 3.037 178 HA SER 20 HA SER 20 11.503 -18.616 5.750 179 HB2 SER 20 HB2 SER 20 13.508 -18.981 3.497 180 HB3 SER 20 HB1 SER 20 13.763 -19.269 5.214 181 HG SER 20 HG SER 20 12.510 -20.859 3.317 182 H SER 21 HN SER 21 12.857 -16.583 6.388 183 HA SER 21 HA SER 21 12.076 -14.224 5.379 184 HB2 SER 21 HB2 SER 21 14.182 -13.275 6.406 185 HB3 SER 21 HB1 SER 21 13.196 -14.290 7.454 186 HG SER 21 HG SER 21 15.680 -14.582 7.185 187 H ARG 22 HN ARG 22 15.037 -15.883 4.131 188 HA ARG 22 HA ARG 22 15.751 -13.942 2.291 189 HB2 ARG 22 HB2 ARG 22 16.159 -16.870 1.530 190 HB3 ARG 22 HB1 ARG 22 17.038 -15.468 0.994 191 HG2 ARG 22 HG2 ARG 22 18.480 -16.513 2.452 192 HG3 ARG 22 HG1 ARG 22 17.830 -15.214 3.430 193 HD2 ARG 22 HD2 ARG 22 17.693 -16.956 4.913 194 HD3 ARG 22 HD1 ARG 22 16.118 -17.143 4.145 195 HE ARG 22 HE ARG 22 17.995 -18.640 2.714 196 HH11 ARG 22 HH11 ARG 22 16.441 -18.658 5.864 197 HH12 ARG 22 HH12 ARG 22 16.561 -20.374 6.053 198 HH21 ARG 22 HH22 ARG 22 18.163 -20.899 2.975 199 HH22 ARG 22 HH21 ARG 22 17.541 -21.649 4.409 200 H ASP 23 HN ASP 23 13.129 -16.317 1.646 201 HA ASP 23 HA ASP 23 12.763 -15.563 -1.071 202 HB2 ASP 23 HB2 ASP 23 10.665 -16.858 0.713 203 HB3 ASP 23 HB1 ASP 23 10.687 -16.886 -1.027 204 H VAL 24 HN VAL 24 10.969 -14.659 1.990 205 HA VAL 24 HA VAL 24 9.320 -12.790 0.704 206 HB VAL 24 HB VAL 24 9.143 -11.620 3.003 207 HG11 VAL 24 HG11 VAL 24 7.336 -12.909 2.280 208 HG12 VAL 24 HG12 VAL 24 7.727 -13.485 3.898 209 HG13 VAL 24 HG13 VAL 24 8.216 -14.408 2.486 210 HG21 VAL 24 HG21 VAL 24 10.438 -14.170 3.869 211 HG22 VAL 24 HG22 VAL 24 9.578 -13.023 4.900 212 HG23 VAL 24 HG23 VAL 24 11.064 -12.538 4.097 213 H GLU 25 HN GLU 25 12.369 -12.020 2.428 214 HA GLU 25 HA GLU 25 12.569 -9.460 1.607 215 HB2 GLU 25 HB2 GLU 25 14.230 -11.262 2.826 216 HB3 GLU 25 HB1 GLU 25 15.153 -10.837 1.394 217 HG2 GLU 25 HG2 GLU 25 14.942 -8.444 2.015 218 HG3 GLU 25 HG1 GLU 25 14.074 -8.947 3.471 219 H ASN 26 HN ASN 26 13.718 -12.177 -0.677 220 HA ASN 26 HA ASN 26 14.266 -10.169 -2.645 221 HB2 ASN 26 HB2 ASN 26 15.489 -12.350 -2.785 222 HB3 ASN 26 HB1 ASN 26 13.956 -13.145 -3.191 223 HD21 ASN 26 HD21 ASN 26 14.286 -13.830 -5.155 224 HD22 ASN 26 HD22 ASN 26 14.699 -12.835 -6.505 225 H GLU 27 HN GLU 27 11.645 -12.778 -2.898 226 HA GLU 27 HA GLU 27 10.567 -11.385 -5.099 227 HB2 GLU 27 HB2 GLU 27 10.373 -13.924 -4.451 228 HB3 GLU 27 HB1 GLU 27 8.948 -13.407 -3.567 229 HG2 GLU 27 HG2 GLU 27 8.462 -14.314 -5.827 230 HG3 GLU 27 HG1 GLU 27 7.865 -12.668 -5.612 231 H PHE 28 HN PHE 28 9.910 -11.096 -1.593 232 HA PHE 28 HA PHE 28 7.395 -9.794 -2.254 233 HB2 PHE 28 HB2 PHE 28 8.603 -10.599 0.375 234 HB3 PHE 28 HB1 PHE 28 7.421 -9.324 0.340 235 HD1 PHE 28 HD2 PHE 28 7.702 -12.954 -0.823 236 HD2 PHE 28 HD1 PHE 28 5.349 -9.805 0.771 237 HE1 PHE 28 HE2 PHE 28 5.899 -14.519 -0.436 238 HE2 PHE 28 HE1 PHE 28 3.518 -11.422 1.205 239 HZ PHE 28 HZ PHE 28 3.799 -13.772 0.581 240 H ARG 29 HN ARG 29 10.804 -8.760 -1.233 241 HA ARG 29 HA ARG 29 10.096 -6.080 -1.100 242 HB2 ARG 29 HB2 ARG 29 12.257 -5.312 -1.412 243 HB3 ARG 29 HB1 ARG 29 12.460 -6.835 -0.613 244 HG2 ARG 29 HG2 ARG 29 14.239 -6.585 -2.115 245 HG3 ARG 29 HG1 ARG 29 13.174 -7.769 -2.897 246 HD2 ARG 29 HD2 ARG 29 12.486 -6.137 -4.523 247 HD3 ARG 29 HD1 ARG 29 13.163 -4.805 -3.580 248 HE ARG 29 HE ARG 29 15.267 -6.499 -4.204 249 HH11 ARG 29 HH12 ARG 29 12.948 -4.522 -5.947 250 HH12 ARG 29 HH11 ARG 29 14.011 -4.196 -7.277 251 HH21 ARG 29 HH22 ARG 29 16.707 -6.037 -5.946 252 HH22 ARG 29 HH21 ARG 29 16.160 -5.065 -7.275 253 H LYS 30 HN LYS 30 10.356 -8.028 -4.167 254 HA LYS 30 HA LYS 30 9.772 -5.774 -5.744 255 HB2 LYS 30 HB2 LYS 30 9.771 -7.392 -7.298 256 HB3 LYS 30 HB1 LYS 30 9.309 -8.621 -6.148 257 HG2 LYS 30 HG2 LYS 30 7.888 -8.591 -8.124 258 HG3 LYS 30 HG1 LYS 30 6.924 -8.260 -6.714 259 HD2 LYS 30 HD2 LYS 30 7.576 -5.730 -7.636 260 HD3 LYS 30 HD1 LYS 30 7.379 -6.646 -9.126 261 HE2 LYS 30 HE2 LYS 30 5.322 -6.829 -6.935 262 HE3 LYS 30 HE1 LYS 30 5.313 -5.466 -8.053 263 HZ1 LYS 30 HZ1 LYS 30 5.087 -7.011 -9.882 264 HZ2 LYS 30 HZ2 LYS 30 3.851 -7.225 -8.754 265 HZ3 LYS 30 HZ3 LYS 30 5.133 -8.326 -8.816 266 H TYR 31 HN TYR 31 7.545 -6.502 -3.097 267 HA TYR 31 HA TYR 31 5.255 -5.929 -4.885 268 HB2 TYR 31 HB2 TYR 31 5.299 -6.636 -1.953 269 HB3 TYR 31 HB1 TYR 31 3.873 -6.447 -2.922 270 HD1 TYR 31 HD2 TYR 31 6.281 -8.561 -4.746 271 HD2 TYR 31 HD1 TYR 31 3.440 -8.477 -1.550 272 HE1 TYR 31 HE2 TYR 31 6.087 -10.966 -4.844 273 HE2 TYR 31 HE1 TYR 31 3.265 -10.905 -1.672 274 HH TYR 31 HH TYR 31 5.512 -12.782 -3.396 275 H GLY 32 HN GLY 32 6.324 -4.585 -1.541 276 HA2 GLY 32 HA2 GLY 32 5.948 -1.993 -2.812 277 HA3 GLY 32 HA1 GLY 32 4.864 -2.400 -1.502 278 H ASN 33 HN ASN 33 8.300 -3.222 -1.698 279 HA ASN 33 HA ASN 33 10.155 -2.498 -0.700 280 HB2 ASN 33 HB2 ASN 33 9.490 -0.242 -1.443 281 HB3 ASN 33 HB1 ASN 33 8.621 -0.035 0.046 282 HD21 ASN 33 HD21 ASN 33 9.686 0.554 1.869 283 HD22 ASN 33 HD22 ASN 33 11.374 0.910 1.916 284 H ILE 34 HN ILE 34 10.211 -4.106 0.814 285 HA ILE 34 HA ILE 34 8.815 -4.004 3.282 286 HB ILE 34 HB ILE 34 9.057 -6.186 3.003 287 HG12 ILE 34 HG12 ILE 34 10.539 -5.600 5.088 288 HG13 ILE 34 HG11 ILE 34 10.487 -7.245 4.479 289 HG21 ILE 34 HG21 ILE 34 11.607 -5.692 1.513 290 HG22 ILE 34 HG22 ILE 34 10.021 -6.146 0.896 291 HG23 ILE 34 HG23 ILE 34 10.951 -7.306 1.839 292 HD11 ILE 34 HD11 ILE 34 12.660 -6.749 3.290 293 HD12 ILE 34 HD12 ILE 34 12.757 -6.749 5.038 294 HD13 ILE 34 HD13 ILE 34 12.712 -5.228 4.164 295 H LEU 35 HN LEU 35 9.284 -3.196 5.272 296 HA LEU 35 HA LEU 35 12.021 -2.169 5.645 297 HB2 LEU 35 HB2 LEU 35 10.017 -0.971 7.518 298 HB3 LEU 35 HB1 LEU 35 11.425 -0.290 6.752 299 HG LEU 35 HG LEU 35 9.919 -0.466 4.571 300 HD11 LEU 35 HD11 LEU 35 8.010 -0.774 6.768 301 HD12 LEU 35 HD12 LEU 35 7.819 -1.069 5.040 302 HD13 LEU 35 HD13 LEU 35 7.642 0.558 5.685 303 HD21 LEU 35 HD21 LEU 35 9.340 1.890 4.875 304 HD22 LEU 35 HD22 LEU 35 11.006 1.556 5.343 305 HD23 LEU 35 HD23 LEU 35 9.768 1.777 6.583 306 H LYS 36 HN LYS 36 9.689 -4.392 6.678 307 HA LYS 36 HA LYS 36 11.289 -5.336 8.952 308 HB2 LYS 36 HB2 LYS 36 9.472 -3.552 9.612 309 HB3 LYS 36 HB1 LYS 36 8.354 -4.876 9.375 310 HG2 LYS 36 HG2 LYS 36 10.631 -5.327 11.220 311 HG3 LYS 36 HG1 LYS 36 9.325 -4.270 11.738 312 HD2 LYS 36 HD2 LYS 36 8.011 -6.459 10.639 313 HD3 LYS 36 HD1 LYS 36 9.373 -7.156 11.513 314 HE2 LYS 36 HE2 LYS 36 7.284 -6.948 12.856 315 HE3 LYS 36 HE1 LYS 36 8.668 -6.120 13.548 316 HZ1 LYS 36 HZ1 LYS 36 6.698 -4.696 11.856 317 HZ2 LYS 36 HZ2 LYS 36 7.823 -4.043 12.935 318 HZ3 LYS 36 HZ3 LYS 36 6.481 -4.878 13.525 319 H CYS 37 HN CYS 37 11.218 -7.727 8.864 320 HA CYS 37 HA CYS 37 8.788 -8.959 7.739 321 HB2 CYS 37 HB2 CYS 37 10.555 -10.693 6.725 322 HB3 CYS 37 HB1 CYS 37 10.009 -9.296 5.809 323 HG CYS 37 HG CYS 37 13.055 -10.047 7.011 324 H ASP 38 HN ASP 38 8.009 -10.047 9.469 325 HA ASP 38 HA ASP 38 10.123 -11.714 10.860 326 HB2 ASP 38 HB2 ASP 38 8.766 -9.836 12.140 327 HB3 ASP 38 HB1 ASP 38 7.535 -11.109 12.263 328 H VAL 39 HN VAL 39 9.695 -13.875 11.367 329 HA VAL 39 HA VAL 39 7.198 -14.991 10.289 330 HB VAL 39 HB VAL 39 9.767 -16.656 10.629 331 HG11 VAL 39 HG11 VAL 39 8.714 -18.388 9.378 332 HG12 VAL 39 HG12 VAL 39 7.297 -17.398 9.077 333 HG13 VAL 39 HG13 VAL 39 7.679 -17.919 10.722 334 HG21 VAL 39 HG21 VAL 39 9.306 -14.993 8.304 335 HG22 VAL 39 HG22 VAL 39 9.252 -16.708 7.890 336 HG23 VAL 39 HG23 VAL 39 10.661 -16.043 8.713 337 H LYS 40 HN LYS 40 5.927 -15.370 11.813 338 HA LYS 40 HA LYS 40 7.017 -16.422 14.342 339 HB2 LYS 40 HB2 LYS 40 4.575 -14.745 13.694 340 HB3 LYS 40 HB1 LYS 40 4.876 -15.365 15.319 341 HG2 LYS 40 HG2 LYS 40 7.187 -14.241 15.024 342 HG3 LYS 40 HG1 LYS 40 6.374 -13.317 13.770 343 HD2 LYS 40 HD2 LYS 40 5.238 -13.575 16.528 344 HD3 LYS 40 HD1 LYS 40 6.407 -12.319 16.118 345 HE2 LYS 40 HE2 LYS 40 4.885 -11.343 14.543 346 HE3 LYS 40 HE1 LYS 40 3.772 -12.708 14.696 347 HZ1 LYS 40 HZ1 LYS 40 3.277 -12.088 16.922 348 HZ2 LYS 40 HZ2 LYS 40 3.129 -10.692 15.980 349 HZ3 LYS 40 HZ3 LYS 40 4.494 -10.917 16.949 350 H LYS 41 HN LYS 41 6.139 -18.636 15.061 351 HA LYS 41 HA LYS 41 4.044 -19.571 13.242 352 HB2 LYS 41 HB2 LYS 41 5.201 -21.423 12.303 353 HB3 LYS 41 HB1 LYS 41 6.491 -20.279 12.403 354 HG2 LYS 41 HG2 LYS 41 6.012 -22.640 14.227 355 HG3 LYS 41 HG1 LYS 41 7.271 -22.452 13.015 356 HD2 LYS 41 HD2 LYS 41 6.979 -20.884 15.577 357 HD3 LYS 41 HD1 LYS 41 8.183 -22.128 15.241 358 HE2 LYS 41 HE2 LYS 41 8.799 -20.503 13.252 359 HE3 LYS 41 HE1 LYS 41 8.007 -19.305 14.283 360 HZ1 LYS 41 HZ1 LYS 41 10.371 -19.377 14.704 361 HZ2 LYS 41 HZ2 LYS 41 10.298 -21.030 15.058 362 HZ3 LYS 41 HZ3 LYS 41 9.526 -19.917 16.069 363 H THR 42 HN THR 42 2.554 -21.272 14.259 364 HA THR 42 HA THR 42 3.011 -21.253 17.116 365 HB THR 42 HB THR 42 0.845 -20.381 16.202 366 HG1 THR 42 HG1 THR 42 0.001 -20.944 18.041 367 HG21 THR 42 HG21 THR 42 0.161 -23.257 15.608 368 HG22 THR 42 HG22 THR 42 0.548 -22.074 14.378 369 HG23 THR 42 HG23 THR 42 -0.885 -21.861 15.393 370 H VAL 43 HN VAL 43 2.074 -23.344 18.306 371 HA VAL 43 HA VAL 43 3.700 -25.567 17.506 372 HB VAL 43 HB VAL 43 1.681 -25.873 19.735 373 HG11 VAL 43 HG11 VAL 43 3.490 -27.047 20.843 374 HG12 VAL 43 HG12 VAL 43 4.561 -26.692 19.488 375 HG13 VAL 43 HG13 VAL 43 3.148 -27.719 19.248 376 HG21 VAL 43 HG21 VAL 43 3.171 -24.723 21.337 377 HG22 VAL 43 HG22 VAL 43 2.468 -23.612 20.170 378 HG23 VAL 43 HG23 VAL 43 4.147 -24.122 19.999 379 H SER 44 HN SER 44 0.673 -24.730 16.398 380 HA SER 44 HA SER 44 -0.492 -27.381 16.314 381 HB2 SER 44 HB2 SER 44 -1.856 -25.211 16.668 382 HB3 SER 44 HB1 SER 44 -1.540 -24.861 14.969 383 HG SER 44 HG SER 44 -2.463 -27.088 14.650 384 H GLY 45 HN GLY 45 2.027 -26.229 14.737 385 HA2 GLY 45 HA2 GLY 45 3.062 -26.941 12.796 386 HA3 GLY 45 HA1 GLY 45 1.596 -27.789 12.346 387 H ALA 46 HN ALA 46 0.479 -24.768 12.832 388 HA ALA 46 HA ALA 46 0.680 -24.052 10.054 389 HB1 ALA 46 HB1 ALA 46 -0.899 -22.737 12.298 390 HB2 ALA 46 HB2 ALA 46 -1.507 -23.890 11.116 391 HB3 ALA 46 HB3 ALA 46 -0.992 -22.293 10.602 392 H ALA 47 HN ALA 47 1.955 -22.401 9.210 393 HA ALA 47 HA ALA 47 3.660 -20.919 11.096 394 HB1 ALA 47 HB1 ALA 47 5.372 -20.640 9.405 395 HB2 ALA 47 HB2 ALA 47 4.344 -21.350 8.174 396 HB3 ALA 47 HB3 ALA 47 4.961 -22.353 9.488 397 H PHE 48 HN PHE 48 3.729 -18.505 10.933 398 HA PHE 48 HA PHE 48 1.879 -17.556 8.820 399 HB2 PHE 48 HB2 PHE 48 2.540 -16.216 11.463 400 HB3 PHE 48 HB1 PHE 48 1.237 -15.789 10.359 401 HD1 PHE 48 HD2 PHE 48 -0.614 -17.472 10.017 402 HD2 PHE 48 HD1 PHE 48 2.214 -17.737 13.190 403 HE1 PHE 48 HE2 PHE 48 -2.112 -18.967 11.236 404 HE2 PHE 48 HE1 PHE 48 0.723 -19.165 14.408 405 HZ PHE 48 HZ PHE 48 -1.460 -19.833 13.459 406 H ALA 49 HN ALA 49 2.536 -15.686 7.641 407 HA ALA 49 HA ALA 49 5.232 -14.709 8.247 408 HB1 ALA 49 HB1 ALA 49 4.845 -15.988 6.025 409 HB2 ALA 49 HB2 ALA 49 5.742 -14.491 5.973 410 HB3 ALA 49 HB3 ALA 49 4.051 -14.505 5.494 411 H PHE 50 HN PHE 50 5.612 -12.483 8.329 412 HA PHE 50 HA PHE 50 3.219 -10.842 8.198 413 HB2 PHE 50 HB2 PHE 50 4.459 -11.694 10.537 414 HB3 PHE 50 HB1 PHE 50 5.154 -10.085 10.314 415 HD1 PHE 50 HD1 PHE 50 2.421 -9.087 8.914 416 HD2 PHE 50 HD2 PHE 50 3.402 -11.031 12.577 417 HE1 PHE 50 HE1 PHE 50 0.397 -8.157 9.951 418 HE2 PHE 50 HE2 PHE 50 1.383 -10.095 13.614 419 HZ PHE 50 HZ PHE 50 -0.125 -8.659 12.303 420 H ILE 51 HN ILE 51 3.668 -9.221 6.626 421 HA ILE 51 HA ILE 51 6.566 -8.481 6.413 422 HB ILE 51 HB ILE 51 5.125 -8.572 3.746 423 HG12 ILE 51 HG12 ILE 51 6.071 -10.765 3.179 424 HG13 ILE 51 HG11 ILE 51 6.757 -10.945 4.774 425 HG21 ILE 51 HG21 ILE 51 7.207 -7.412 4.002 426 HG22 ILE 51 HG22 ILE 51 7.416 -8.823 2.965 427 HG23 ILE 51 HG23 ILE 51 7.977 -8.868 4.635 428 HD11 ILE 51 HD11 ILE 51 4.734 -12.394 4.215 429 HD12 ILE 51 HD12 ILE 51 3.745 -10.922 4.266 430 HD13 ILE 51 HD13 ILE 51 4.612 -11.460 5.699 431 H GLU 52 HN GLU 52 6.811 -6.508 6.686 432 HA GLU 52 HA GLU 52 4.566 -4.660 6.648 433 HB2 GLU 52 HB2 GLU 52 5.984 -4.869 8.647 434 HB3 GLU 52 HB1 GLU 52 7.337 -4.272 7.716 435 HG2 GLU 52 HG2 GLU 52 6.298 -2.099 7.503 436 HG3 GLU 52 HG1 GLU 52 4.859 -2.659 8.361 437 H PHE 53 HN PHE 53 4.175 -3.340 4.886 438 HA PHE 53 HA PHE 53 6.447 -2.607 3.165 439 HB2 PHE 53 HB2 PHE 53 3.549 -2.932 2.479 440 HB3 PHE 53 HB1 PHE 53 4.750 -2.293 1.361 441 HD1 PHE 53 HD1 PHE 53 7.030 -3.888 1.601 442 HD2 PHE 53 HD2 PHE 53 2.961 -5.091 1.910 443 HE1 PHE 53 HE1 PHE 53 7.662 -6.150 0.984 444 HE2 PHE 53 HE2 PHE 53 3.591 -7.367 1.286 445 HZ PHE 53 HZ PHE 53 5.944 -7.900 0.802 446 H GLU 54 HN GLU 54 6.515 -0.458 2.070 447 HA GLU 54 HA GLU 54 5.290 1.590 3.757 448 HB2 GLU 54 HB2 GLU 54 6.574 3.269 2.892 449 HB3 GLU 54 HB1 GLU 54 7.643 1.925 2.661 450 HG2 GLU 54 HG2 GLU 54 6.922 1.859 0.239 451 HG3 GLU 54 HG1 GLU 54 6.008 3.346 0.541 452 H ASP 55 HN ASP 55 4.697 0.516 0.381 453 HA ASP 55 HA ASP 55 2.423 2.352 0.395 454 HB2 ASP 55 HB2 ASP 55 4.380 2.423 -1.355 455 HB3 ASP 55 HB1 ASP 55 3.484 1.093 -2.099 456 H ALA 56 HN ALA 56 0.396 1.386 0.485 457 HA ALA 56 HA ALA 56 0.159 -1.416 0.022 458 HB1 ALA 56 HB1 ALA 56 -2.063 0.557 0.554 459 HB2 ALA 56 HB2 ALA 56 -1.207 -0.430 1.740 460 HB3 ALA 56 HB3 ALA 56 -2.207 -1.192 0.513 461 H ARG 57 HN ARG 57 -0.102 1.204 -2.400 462 HA ARG 57 HA ARG 57 -2.156 -0.317 -3.790 463 HB2 ARG 57 HB2 ARG 57 -2.531 1.280 -5.347 464 HB3 ARG 57 HB1 ARG 57 -2.017 2.296 -4.025 465 HG2 ARG 57 HG2 ARG 57 -0.182 1.415 -6.287 466 HG3 ARG 57 HG1 ARG 57 -1.150 2.880 -6.358 467 HD2 ARG 57 HD2 ARG 57 0.470 2.797 -3.939 468 HD3 ARG 57 HD1 ARG 57 1.428 2.628 -5.401 469 HE ARG 57 HE ARG 57 0.773 4.760 -6.073 470 HH11 ARG 57 HH12 ARG 57 -0.548 3.997 -2.925 471 HH12 ARG 57 HH11 ARG 57 -0.911 5.644 -2.533 472 HH21 ARG 57 HH22 ARG 57 0.417 6.927 -5.533 473 HH22 ARG 57 HH21 ARG 57 -0.354 7.331 -4.038 474 H ASP 58 HN ASP 58 1.438 0.123 -4.452 475 HA ASP 58 HA ASP 58 1.470 -1.409 -6.792 476 HB2 ASP 58 HB2 ASP 58 3.415 -0.037 -5.686 477 HB3 ASP 58 HB1 ASP 58 3.836 -1.576 -4.919 478 H ALA 59 HN ALA 59 2.110 -2.698 -3.481 479 HA ALA 59 HA ALA 59 2.483 -5.288 -4.085 480 HB1 ALA 59 HB1 ALA 59 1.394 -4.180 -1.511 481 HB2 ALA 59 HB2 ALA 59 3.063 -4.575 -1.957 482 HB3 ALA 59 HB3 ALA 59 1.879 -5.858 -1.758 483 H ALA 60 HN ALA 60 -0.682 -3.774 -3.988 484 HA ALA 60 HA ALA 60 -2.504 -5.729 -3.908 485 HB1 ALA 60 HB1 ALA 60 -3.308 -3.487 -4.136 486 HB2 ALA 60 HB2 ALA 60 -3.927 -4.348 -5.531 487 HB3 ALA 60 HB3 ALA 60 -2.547 -3.262 -5.710 488 H ASP 61 HN ASP 61 -0.663 -5.053 -7.025 489 HA ASP 61 HA ASP 61 -1.684 -7.024 -8.695 490 HB2 ASP 61 HB2 ASP 61 1.297 -6.459 -8.520 491 HB3 ASP 61 HB1 ASP 61 0.389 -7.125 -9.861 492 H ALA 62 HN ALA 62 1.051 -7.588 -6.445 493 HA ALA 62 HA ALA 62 0.918 -10.312 -7.116 494 HB1 ALA 62 HB1 ALA 62 3.092 -9.377 -6.598 495 HB2 ALA 62 HB2 ALA 62 2.710 -10.795 -5.632 496 HB3 ALA 62 HB3 ALA 62 2.609 -9.199 -4.905 497 H ILE 63 HN ILE 63 -0.565 -8.482 -4.509 498 HA ILE 63 HA ILE 63 -1.034 -10.883 -3.041 499 HB ILE 63 HB ILE 63 -2.084 -8.134 -2.579 500 HG12 ILE 63 HG12 ILE 63 0.056 -8.986 -1.615 501 HG13 ILE 63 HG11 ILE 63 -1.117 -8.447 -0.427 502 HG21 ILE 63 HG21 ILE 63 -3.221 -10.487 -1.091 503 HG22 ILE 63 HG22 ILE 63 -4.121 -9.590 -2.305 504 HG23 ILE 63 HG23 ILE 63 -3.591 -8.786 -0.829 505 HD11 ILE 63 HD11 ILE 63 -0.111 -11.198 -0.945 506 HD12 ILE 63 HD12 ILE 63 -1.798 -11.016 -0.489 507 HD13 ILE 63 HD13 ILE 63 -0.541 -10.410 0.574 508 H LYS 64 HN LYS 64 -3.423 -9.051 -5.082 509 HA LYS 64 HA LYS 64 -5.082 -11.171 -5.289 510 HB2 LYS 64 HB2 LYS 64 -5.769 -10.435 -7.524 511 HB3 LYS 64 HB1 LYS 64 -5.707 -9.135 -6.369 512 HG2 LYS 64 HG2 LYS 64 -4.830 -8.150 -8.303 513 HG3 LYS 64 HG1 LYS 64 -3.375 -8.594 -7.410 514 HD2 LYS 64 HD2 LYS 64 -2.840 -10.329 -8.844 515 HD3 LYS 64 HD1 LYS 64 -4.475 -10.410 -9.539 516 HE2 LYS 64 HE2 LYS 64 -3.215 -7.811 -9.863 517 HE3 LYS 64 HE1 LYS 64 -2.283 -9.117 -10.589 518 HZ1 LYS 64 HZ1 LYS 64 -5.152 -8.569 -11.108 519 HZ2 LYS 64 HZ2 LYS 64 -4.200 -9.754 -11.850 520 HZ3 LYS 64 HZ3 LYS 64 -3.871 -8.122 -12.121 521 H GLU 65 HN GLU 65 -1.911 -11.071 -7.136 522 HA GLU 65 HA GLU 65 -2.485 -13.494 -8.504 523 HB2 GLU 65 HB2 GLU 65 -0.308 -13.618 -9.229 524 HB3 GLU 65 HB1 GLU 65 -0.434 -11.913 -8.872 525 HG2 GLU 65 HG2 GLU 65 1.425 -12.136 -7.689 526 HG3 GLU 65 HG1 GLU 65 0.496 -13.026 -6.560 527 H LYS 66 HN LYS 66 -1.263 -13.247 -5.092 528 HA LYS 66 HA LYS 66 -2.000 -16.116 -5.097 529 HB2 LYS 66 HB2 LYS 66 -0.958 -16.398 -2.870 530 HB3 LYS 66 HB1 LYS 66 0.180 -15.903 -4.104 531 HG2 LYS 66 HG2 LYS 66 -1.016 -13.879 -2.176 532 HG3 LYS 66 HG1 LYS 66 0.336 -14.894 -1.688 533 HD2 LYS 66 HD2 LYS 66 0.257 -12.731 -3.786 534 HD3 LYS 66 HD1 LYS 66 1.303 -12.878 -2.380 535 HE2 LYS 66 HE2 LYS 66 1.473 -14.553 -4.918 536 HE3 LYS 66 HE1 LYS 66 2.541 -13.264 -4.452 537 HZ1 LYS 66 HZ1 LYS 66 3.529 -15.363 -3.961 538 HZ2 LYS 66 HZ2 LYS 66 2.208 -15.834 -3.020 539 HZ3 LYS 66 HZ3 LYS 66 3.204 -14.562 -2.505 540 H ASP 67 HN ASP 67 -4.119 -13.838 -4.897 541 HA ASP 67 HA ASP 67 -5.212 -14.412 -2.294 542 HB2 ASP 67 HB2 ASP 67 -6.589 -12.718 -2.248 543 HB3 ASP 67 HB1 ASP 67 -5.487 -12.057 -3.421 544 H GLY 68 HN GLY 68 -7.796 -15.024 -2.254 545 HA2 GLY 68 HA2 GLY 68 -8.864 -17.084 -3.032 546 HA3 GLY 68 HA1 GLY 68 -7.282 -17.582 -3.602 547 H CYS 69 HN CYS 69 -7.570 -16.031 -0.429 548 HA CYS 69 HA CYS 69 -6.548 -18.038 1.108 549 HB2 CYS 69 HB2 CYS 69 -7.046 -16.025 2.325 550 HB3 CYS 69 HB1 CYS 69 -8.764 -16.097 1.937 551 HG CYS 69 HG CYS 69 -8.786 -18.687 3.513 552 H ASP 70 HN ASP 70 -7.099 -19.910 1.957 553 HA ASP 70 HA ASP 70 -9.745 -20.927 1.239 554 HB2 ASP 70 HB2 ASP 70 -7.139 -21.909 0.273 555 HB3 ASP 70 HB1 ASP 70 -8.211 -23.160 0.880 556 H PHE 71 HN PHE 71 -10.355 -23.031 2.337 557 HA PHE 71 HA PHE 71 -9.717 -23.158 5.079 558 HB2 PHE 71 HB2 PHE 71 -12.257 -22.301 5.525 559 HB3 PHE 71 HB1 PHE 71 -10.841 -21.291 5.749 560 HD1 PHE 71 HD1 PHE 71 -13.149 -22.251 2.934 561 HD2 PHE 71 HD2 PHE 71 -11.018 -19.154 4.945 562 HE1 PHE 71 HE1 PHE 71 -14.102 -20.588 1.388 563 HE2 PHE 71 HE2 PHE 71 -11.955 -17.501 3.390 564 HZ PHE 71 HZ PHE 71 -13.501 -18.211 1.616 565 H GLU 72 HN GLU 72 -10.774 -24.949 6.025 566 HA GLU 72 HA GLU 72 -12.146 -26.805 6.203 567 HB2 GLU 72 HB2 GLU 72 -13.735 -25.550 3.928 568 HB3 GLU 72 HB1 GLU 72 -14.218 -26.989 4.794 569 HG2 GLU 72 HG2 GLU 72 -13.921 -24.361 6.267 570 HG3 GLU 72 HG1 GLU 72 -15.339 -24.712 5.302 571 H GLY 73 HN GLY 73 -9.940 -27.600 5.168 572 HA2 GLY 73 HA2 GLY 73 -9.391 -29.700 4.232 573 HA3 GLY 73 HA1 GLY 73 -10.777 -29.562 3.194 574 H ASN 74 HN ASN 74 -9.770 -26.788 2.301 575 HA ASN 74 HA ASN 74 -7.131 -27.608 1.199 576 HB2 ASN 74 HB2 ASN 74 -8.706 -27.235 -0.758 577 HB3 ASN 74 HB1 ASN 74 -9.042 -25.637 -0.116 578 HD21 ASN 74 HD21 ASN 74 -8.308 -24.569 -1.905 579 HD22 ASN 74 HD22 ASN 74 -6.631 -24.475 -2.317 580 H LYS 75 HN LYS 75 -5.503 -26.331 2.115 581 HA LYS 75 HA LYS 75 -6.638 -24.037 3.524 582 HB2 LYS 75 HB2 LYS 75 -4.258 -24.203 4.812 583 HB3 LYS 75 HB1 LYS 75 -5.815 -24.720 5.457 584 HG2 LYS 75 HG2 LYS 75 -4.298 -26.746 3.932 585 HG3 LYS 75 HG1 LYS 75 -3.533 -26.170 5.408 586 HD2 LYS 75 HD2 LYS 75 -5.873 -28.019 5.102 587 HD3 LYS 75 HD1 LYS 75 -4.693 -27.909 6.373 588 HE2 LYS 75 HE2 LYS 75 -7.317 -26.307 6.186 589 HE3 LYS 75 HE1 LYS 75 -6.887 -27.602 7.296 590 HZ1 LYS 75 HZ1 LYS 75 -5.538 -24.963 7.235 591 HZ2 LYS 75 HZ2 LYS 75 -5.225 -26.228 8.306 592 HZ3 LYS 75 HZ3 LYS 75 -6.721 -25.450 8.340 593 H LEU 76 HN LEU 76 -5.799 -21.952 3.173 594 HA LEU 76 HA LEU 76 -3.228 -21.542 2.014 595 HB2 LEU 76 HB2 LEU 76 -5.226 -22.263 0.078 596 HB3 LEU 76 HB1 LEU 76 -4.820 -20.572 -0.145 597 HG LEU 76 HG LEU 76 -2.602 -22.535 0.103 598 HD11 LEU 76 HD11 LEU 76 -2.799 -23.093 -2.273 599 HD12 LEU 76 HD12 LEU 76 -4.319 -22.202 -2.350 600 HD13 LEU 76 HD13 LEU 76 -4.198 -23.652 -1.356 601 HD21 LEU 76 HD21 LEU 76 -1.576 -21.062 -1.556 602 HD22 LEU 76 HD22 LEU 76 -2.150 -20.126 -0.181 603 HD23 LEU 76 HD23 LEU 76 -3.072 -20.139 -1.682 604 H ARG 77 HN ARG 77 -3.704 -19.882 4.026 605 HA ARG 77 HA ARG 77 -5.705 -17.860 3.280 606 HB2 ARG 77 HB2 ARG 77 -6.146 -18.327 5.475 607 HB3 ARG 77 HB1 ARG 77 -4.507 -18.853 5.790 608 HG2 ARG 77 HG2 ARG 77 -5.015 -16.981 7.219 609 HG3 ARG 77 HG1 ARG 77 -3.796 -16.508 6.059 610 HD2 ARG 77 HD2 ARG 77 -5.212 -14.669 6.281 611 HD3 ARG 77 HD1 ARG 77 -5.640 -15.366 4.745 612 HE ARG 77 HE ARG 77 -7.637 -16.274 5.774 613 HH11 ARG 77 HH12 ARG 77 -5.968 -13.778 7.627 614 HH12 ARG 77 HH11 ARG 77 -7.374 -13.341 8.541 615 HH21 ARG 77 HH21 ARG 77 -9.485 -15.655 6.947 616 HH22 ARG 77 HH22 ARG 77 -9.383 -14.414 8.152 617 H VAL 78 HN VAL 78 -4.896 -16.114 1.938 618 HA VAL 78 HA VAL 78 -2.584 -14.691 3.147 619 HB VAL 78 HB VAL 78 -3.364 -14.077 0.236 620 HG11 VAL 78 HG11 VAL 78 -1.140 -13.216 0.207 621 HG12 VAL 78 HG12 VAL 78 -0.766 -13.936 1.761 622 HG13 VAL 78 HG13 VAL 78 -1.927 -12.615 1.668 623 HG21 VAL 78 HG21 VAL 78 -2.829 -16.428 0.081 624 HG22 VAL 78 HG22 VAL 78 -1.447 -16.262 1.157 625 HG23 VAL 78 HG23 VAL 78 -1.421 -15.499 -0.432 626 H GLU 79 HN GLU 79 -3.499 -12.948 4.441 627 HA GLU 79 HA GLU 79 -5.496 -11.377 2.991 628 HB2 GLU 79 HB2 GLU 79 -6.722 -12.667 4.528 629 HB3 GLU 79 HB1 GLU 79 -5.569 -12.399 5.822 630 HG2 GLU 79 HG2 GLU 79 -7.709 -11.283 6.196 631 HG3 GLU 79 HG1 GLU 79 -6.395 -10.126 6.157 632 H VAL 80 HN VAL 80 -5.171 -9.209 2.965 633 HA VAL 80 HA VAL 80 -2.934 -8.216 4.512 634 HB VAL 80 HB VAL 80 -3.403 -6.031 3.343 635 HG11 VAL 80 HG11 VAL 80 -2.519 -8.560 2.115 636 HG12 VAL 80 HG12 VAL 80 -1.674 -7.019 2.292 637 HG13 VAL 80 HG13 VAL 80 -2.852 -7.236 1.000 638 HG21 VAL 80 HG21 VAL 80 -5.277 -7.717 1.673 639 HG22 VAL 80 HG22 VAL 80 -4.793 -6.052 1.344 640 HG23 VAL 80 HG23 VAL 80 -5.766 -6.424 2.768 641 HA PRO 81 HA PRO 81 -5.800 -6.360 7.456 642 HB2 PRO 81 HB2 PRO 81 -4.037 -6.061 9.471 643 HB3 PRO 81 HB1 PRO 81 -4.758 -7.634 9.082 644 HG2 PRO 81 HG2 PRO 81 -2.038 -6.622 8.517 645 HG3 PRO 81 HG1 PRO 81 -2.578 -8.265 8.895 646 HD2 PRO 81 HD2 PRO 81 -2.012 -7.263 6.353 647 HD3 PRO 81 HD1 PRO 81 -2.880 -8.766 6.715 648 H PHE 82 HN PHE 82 -3.939 -4.958 5.345 649 HA PHE 82 HA PHE 82 -3.921 -2.435 6.837 650 HB2 PHE 82 HB2 PHE 82 -2.279 -1.499 5.201 651 HB3 PHE 82 HB1 PHE 82 -1.641 -2.753 6.236 652 HD1 PHE 82 HD1 PHE 82 -3.328 -2.762 2.824 653 HD2 PHE 82 HD2 PHE 82 0.014 -3.877 5.199 654 HE1 PHE 82 HE1 PHE 82 -2.255 -3.752 0.864 655 HE2 PHE 82 HE2 PHE 82 1.090 -4.885 3.275 656 HZ PHE 82 HZ PHE 82 -0.046 -4.825 1.071 657 H ASN 83 HN ASN 83 -5.426 -4.112 4.365 658 HA ASN 83 HA ASN 83 -6.957 -3.651 2.787 659 HB2 ASN 83 HB2 ASN 83 -7.190 -1.214 4.420 660 HB3 ASN 83 HB1 ASN 83 -7.652 -0.950 2.746 661 HD21 ASN 83 HD21 ASN 83 -9.413 -2.027 1.916 662 HD22 ASN 83 HD22 ASN 83 -10.563 -2.827 2.921 663 H ALA 84 HN ALA 84 -6.497 -3.512 0.508 664 HA ALA 84 HA ALA 84 -3.926 -2.401 -0.153 665 HB1 ALA 84 HB1 ALA 84 -4.221 -3.437 -2.322 666 HB2 ALA 84 HB2 ALA 84 -5.900 -3.813 -1.959 667 HB3 ALA 84 HB3 ALA 84 -4.598 -4.576 -1.036 668 H ARG 85 HN ARG 85 -5.064 -0.171 0.531 669 HA ARG 85 HA ARG 85 -5.381 1.986 -0.025 670 HB2 ARG 85 HB2 ARG 85 -3.810 1.116 -2.096 671 HB3 ARG 85 HB1 ARG 85 -5.215 1.688 -2.964 672 HG2 ARG 85 HG2 ARG 85 -3.431 3.328 -1.143 673 HG3 ARG 85 HG1 ARG 85 -3.539 3.415 -2.894 674 HD2 ARG 85 HD2 ARG 85 -6.000 4.057 -2.512 675 HD3 ARG 85 HD1 ARG 85 -5.503 4.355 -0.849 676 HE ARG 85 HE ARG 85 -4.076 6.084 -1.598 677 HH11 ARG 85 HH12 ARG 85 -6.120 4.771 -4.152 678 HH12 ARG 85 HH11 ARG 85 -5.905 6.135 -5.197 679 HH21 ARG 85 HH22 ARG 85 -3.735 7.847 -3.016 680 HH22 ARG 85 HH21 ARG 85 -4.545 7.885 -4.550 681 H GLU 86 HN GLU 86 -7.574 0.174 0.180 682 HA GLU 86 HA GLU 86 -9.811 0.274 0.160 683 HB2 GLU 86 HB2 GLU 86 -9.206 3.113 -0.679 684 HB3 GLU 86 HB1 GLU 86 -10.838 2.551 -0.355 685 HG2 GLU 86 HG2 GLU 86 -8.579 2.527 1.661 686 HG3 GLU 86 HG1 GLU 86 -9.822 3.770 1.557 Start of MODEL 10 1 H1 GLY -2 HT1 GLY -2 -8.747 -3.343 -1.652 2 H2 GLY -2 HT2 GLY -2 -10.351 -2.848 -1.878 3 H3 GLY -2 HT3 GLY -2 -9.887 -3.584 -0.426 4 HA2 GLY -2 HA1 GLY -2 -8.499 -1.733 0.159 5 HA3 GLY -2 HA2 GLY -2 -8.857 -0.969 -1.382 6 H SER -1 HN SER -1 -9.449 -0.588 1.713 7 HA SER -1 HA SER -1 -12.153 0.479 1.283 8 HB2 SER -1 HB2 SER -1 -12.668 -0.226 3.667 9 HB3 SER -1 HB1 SER -1 -12.533 -1.542 2.498 10 HG SER -1 HG SER -1 -11.077 -1.085 4.730 11 H HIS 0 HN HIS 0 -8.985 1.049 2.311 12 HA HIS 0 HA HIS 0 -9.745 3.682 3.323 13 HB2 HIS 0 HB2 HIS 0 -8.523 1.575 4.954 14 HB3 HIS 0 HB1 HIS 0 -7.588 3.067 4.960 15 HD1 HIS 0 HD1 HIS 0 -9.750 1.572 7.111 16 HD2 HIS 0 HD2 HIS 0 -9.903 5.289 5.246 17 HE1 HIS 0 HE1 HIS 0 -11.221 2.998 8.558 18 HE2 HIS 0 HE2 HIS 0 -11.228 5.269 7.470 19 H MET 1 HN MET 1 -7.659 5.067 3.636 20 HA MET 1 HA MET 1 -5.305 4.303 2.226 21 HB2 MET 1 HB2 MET 1 -6.739 4.824 0.303 22 HB3 MET 1 HB1 MET 1 -7.087 6.411 0.964 23 HG2 MET 1 HG2 MET 1 -4.967 7.219 0.465 24 HG3 MET 1 HG1 MET 1 -4.274 5.605 0.345 25 HE1 MET 1 HE1 MET 1 -6.746 8.188 -1.468 26 HE2 MET 1 HE2 MET 1 -7.696 6.716 -1.268 27 HE3 MET 1 HE3 MET 1 -7.191 7.228 -2.877 28 H VAL 2 HN VAL 2 -4.381 4.790 4.190 29 HA VAL 2 HA VAL 2 -3.167 5.966 5.689 30 HB VAL 2 HB VAL 2 -3.700 8.429 3.996 31 HG11 VAL 2 HG11 VAL 2 -1.524 7.927 6.032 32 HG12 VAL 2 HG12 VAL 2 -2.911 8.991 6.249 33 HG13 VAL 2 HG13 VAL 2 -1.693 9.368 5.030 34 HG21 VAL 2 HG21 VAL 2 -1.498 7.999 3.005 35 HG22 VAL 2 HG22 VAL 2 -2.623 6.671 2.704 36 HG23 VAL 2 HG23 VAL 2 -1.377 6.507 3.940 37 H ILE 3 HN ILE 3 -3.584 6.752 7.731 38 HA ILE 3 HA ILE 3 -5.909 8.497 8.017 39 HB ILE 3 HB ILE 3 -6.770 6.370 8.680 40 HG12 ILE 3 HG12 ILE 3 -6.216 7.928 11.223 41 HG13 ILE 3 HG11 ILE 3 -7.412 8.407 10.023 42 HG21 ILE 3 HG21 ILE 3 -5.862 4.950 10.413 43 HG22 ILE 3 HG22 ILE 3 -4.571 6.098 10.747 44 HG23 ILE 3 HG23 ILE 3 -4.610 5.244 9.204 45 HD11 ILE 3 HD11 ILE 3 -7.423 5.875 11.656 46 HD12 ILE 3 HD12 ILE 3 -8.619 6.306 10.433 47 HD13 ILE 3 HD13 ILE 3 -8.457 7.284 11.891 48 H ARG 4 HN ARG 4 -2.812 7.484 9.617 49 HA ARG 4 HA ARG 4 -2.228 10.097 10.496 50 HB2 ARG 4 HB2 ARG 4 -4.193 9.215 12.070 51 HB3 ARG 4 HB1 ARG 4 -2.876 8.354 12.860 52 HG2 ARG 4 HG2 ARG 4 -2.844 10.286 14.141 53 HG3 ARG 4 HG1 ARG 4 -1.795 10.820 12.826 54 HD2 ARG 4 HD2 ARG 4 -3.796 11.796 11.706 55 HD3 ARG 4 HD1 ARG 4 -4.746 11.369 13.131 56 HE ARG 4 HE ARG 4 -2.506 12.874 13.924 57 HH11 ARG 4 HH11 ARG 4 -5.576 13.300 12.275 58 HH12 ARG 4 HH12 ARG 4 -5.733 14.968 12.718 59 HH21 ARG 4 HH21 ARG 4 -2.695 15.089 14.473 60 HH22 ARG 4 HH22 ARG 4 -4.090 15.982 13.971 61 H GLU 5 HN GLU 5 -0.690 8.426 9.124 62 HA GLU 5 HA GLU 5 1.456 7.678 8.971 63 HB2 GLU 5 HB2 GLU 5 1.610 9.228 11.343 64 HB3 GLU 5 HB1 GLU 5 2.340 7.687 11.742 65 HG2 GLU 5 HG2 GLU 5 4.126 9.031 11.064 66 HG3 GLU 5 HG1 GLU 5 3.811 8.023 9.658 67 H SER 6 HN SER 6 0.924 5.405 8.493 68 HA SER 6 HA SER 6 0.967 3.713 10.895 69 HB2 SER 6 HB2 SER 6 -1.273 3.916 9.552 70 HB3 SER 6 HB1 SER 6 -0.478 2.839 8.396 71 HG SER 6 HG SER 6 -0.483 2.185 11.128 72 H VAL 7 HN VAL 7 1.136 1.199 9.580 73 HA VAL 7 HA VAL 7 3.317 1.247 7.692 74 HB VAL 7 HB VAL 7 4.703 -0.485 8.820 75 HG11 VAL 7 HG11 VAL 7 5.418 1.790 8.952 76 HG12 VAL 7 HG12 VAL 7 5.862 0.921 10.419 77 HG13 VAL 7 HG13 VAL 7 4.488 2.027 10.430 78 HG21 VAL 7 HG21 VAL 7 4.642 -0.992 11.180 79 HG22 VAL 7 HG22 VAL 7 3.120 -1.472 10.441 80 HG23 VAL 7 HG23 VAL 7 3.205 -0.007 11.412 81 H SER 8 HN SER 8 2.685 -0.035 6.109 82 HA SER 8 HA SER 8 0.301 -1.642 6.588 83 HB2 SER 8 HB2 SER 8 0.711 -1.948 3.947 84 HB3 SER 8 HB1 SER 8 -0.111 -0.545 4.602 85 HG SER 8 HG SER 8 2.710 -0.648 4.204 86 H ARG 9 HN ARG 9 0.200 -3.837 6.891 87 HA ARG 9 HA ARG 9 2.597 -5.370 6.044 88 HB2 ARG 9 HB2 ARG 9 2.323 -6.871 8.089 89 HB3 ARG 9 HB1 ARG 9 2.972 -5.274 8.394 90 HG2 ARG 9 HG2 ARG 9 0.028 -5.587 8.675 91 HG3 ARG 9 HG1 ARG 9 1.034 -6.403 9.865 92 HD2 ARG 9 HD2 ARG 9 2.137 -4.240 10.356 93 HD3 ARG 9 HD1 ARG 9 1.046 -3.452 9.214 94 HE ARG 9 HE ARG 9 -0.732 -4.514 10.812 95 HH11 ARG 9 HH11 ARG 9 2.302 -2.997 11.729 96 HH12 ARG 9 HH12 ARG 9 1.722 -2.463 13.268 97 HH21 ARG 9 HH21 ARG 9 -1.500 -3.800 12.857 98 HH22 ARG 9 HH22 ARG 9 -0.441 -2.921 13.908 99 H ILE 10 HN ILE 10 2.292 -7.794 5.620 100 HA ILE 10 HA ILE 10 -0.559 -8.363 5.072 101 HB ILE 10 HB ILE 10 1.909 -9.151 3.473 102 HG12 ILE 10 HG12 ILE 10 -0.659 -7.741 2.746 103 HG13 ILE 10 HG11 ILE 10 0.949 -7.059 2.810 104 HG21 ILE 10 HG21 ILE 10 0.771 -10.760 2.132 105 HG22 ILE 10 HG22 ILE 10 -0.799 -10.337 2.801 106 HG23 ILE 10 HG23 ILE 10 0.386 -11.185 3.799 107 HD11 ILE 10 HD11 ILE 10 1.536 -7.877 0.783 108 HD12 ILE 10 HD12 ILE 10 -0.185 -7.632 0.525 109 HD13 ILE 10 HD13 ILE 10 0.454 -9.238 0.872 110 H TYR 11 HN TYR 11 -1.390 -10.278 5.671 111 HA TYR 11 HA TYR 11 0.265 -11.923 7.475 112 HB2 TYR 11 HB2 TYR 11 -2.049 -10.837 8.109 113 HB3 TYR 11 HB1 TYR 11 -2.741 -12.202 7.239 114 HD1 TYR 11 HD2 TYR 11 -2.062 -14.582 8.077 115 HD2 TYR 11 HD1 TYR 11 -1.390 -11.025 10.320 116 HE1 TYR 11 HE2 TYR 11 -1.864 -15.912 10.134 117 HE2 TYR 11 HE1 TYR 11 -1.186 -12.359 12.377 118 HH TYR 11 HH TYR 11 -1.833 -14.517 13.250 119 H VAL 12 HN VAL 12 1.088 -13.973 6.546 120 HA VAL 12 HA VAL 12 -0.672 -15.276 4.546 121 HB VAL 12 HB VAL 12 2.265 -15.834 4.118 122 HG11 VAL 12 HG11 VAL 12 0.098 -15.058 2.175 123 HG12 VAL 12 HG12 VAL 12 0.630 -16.693 2.581 124 HG13 VAL 12 HG13 VAL 12 1.729 -15.585 1.775 125 HG21 VAL 12 HG21 VAL 12 2.349 -13.403 4.627 126 HG22 VAL 12 HG22 VAL 12 1.324 -13.116 3.216 127 HG23 VAL 12 HG23 VAL 12 2.908 -13.857 3.021 128 H GLY 13 HN GLY 13 -1.432 -16.966 5.723 129 HA2 GLY 13 HA2 GLY 13 0.629 -18.545 7.151 130 HA3 GLY 13 HA1 GLY 13 -1.060 -18.517 7.613 131 H ASN 14 HN ASN 14 -0.342 -21.011 7.499 132 HA ASN 14 HA ASN 14 -0.794 -23.050 6.560 133 HB2 ASN 14 HB2 ASN 14 -2.848 -21.368 5.123 134 HB3 ASN 14 HB1 ASN 14 -2.866 -23.127 5.159 135 HD21 ASN 14 HD21 ASN 14 -3.339 -24.174 7.123 136 HD22 ASN 14 HD22 ASN 14 -4.105 -23.338 8.427 137 H LEU 15 HN LEU 15 1.323 -21.578 4.998 138 HA LEU 15 HA LEU 15 0.971 -22.370 2.269 139 HB2 LEU 15 HB2 LEU 15 3.313 -21.129 3.725 140 HB3 LEU 15 HB1 LEU 15 3.160 -21.292 1.987 141 HG LEU 15 HG LEU 15 1.047 -19.788 3.463 142 HD11 LEU 15 HD11 LEU 15 3.235 -18.959 4.282 143 HD12 LEU 15 HD12 LEU 15 2.319 -17.773 3.356 144 HD13 LEU 15 HD13 LEU 15 3.673 -18.608 2.613 145 HD21 LEU 15 HD21 LEU 15 0.867 -18.608 1.396 146 HD22 LEU 15 HD22 LEU 15 0.922 -20.333 1.033 147 HD23 LEU 15 HD23 LEU 15 2.354 -19.334 0.791 148 HA PRO 16 HA PRO 16 3.229 -26.292 2.458 149 HB2 PRO 16 HB2 PRO 16 4.680 -26.014 0.100 150 HB3 PRO 16 HB1 PRO 16 3.036 -26.670 0.225 151 HG2 PRO 16 HG2 PRO 16 3.928 -23.930 -0.534 152 HG3 PRO 16 HG1 PRO 16 2.602 -24.913 -1.192 153 HD2 PRO 16 HD2 PRO 16 2.136 -22.901 0.496 154 HD3 PRO 16 HD1 PRO 16 1.177 -24.389 0.558 155 H SER 17 HN SER 17 5.063 -26.665 3.754 156 HA SER 17 HA SER 17 7.177 -26.973 4.321 157 HB2 SER 17 HB2 SER 17 9.054 -26.576 2.909 158 HB3 SER 17 HB1 SER 17 7.723 -27.026 1.848 159 HG SER 17 HG SER 17 8.317 -24.310 2.371 160 H HIS 18 HN HIS 18 5.745 -24.029 4.478 161 HA HIS 18 HA HIS 18 5.985 -22.152 5.648 162 HB2 HIS 18 HB2 HIS 18 6.730 -22.598 7.706 163 HB3 HIS 18 HB1 HIS 18 7.651 -23.955 7.115 164 HD1 HIS 18 HD1 HIS 18 8.018 -20.307 7.992 165 HD2 HIS 18 HD2 HIS 18 10.398 -23.604 7.115 166 HE1 HIS 18 HE1 HIS 18 10.368 -19.627 8.585 167 HE2 HIS 18 HE2 HIS 18 11.797 -21.614 7.993 168 H VAL 19 HN VAL 19 6.590 -20.204 4.990 169 HA VAL 19 HA VAL 19 8.750 -20.069 3.010 170 HB VAL 19 HB VAL 19 7.675 -18.056 2.153 171 HG11 VAL 19 HG11 VAL 19 6.612 -20.158 1.555 172 HG12 VAL 19 HG12 VAL 19 5.492 -18.802 1.571 173 HG13 VAL 19 HG13 VAL 19 5.492 -19.952 2.905 174 HG21 VAL 19 HG21 VAL 19 5.868 -18.006 4.582 175 HG22 VAL 19 HG22 VAL 19 5.755 -16.924 3.185 176 HG23 VAL 19 HG23 VAL 19 7.159 -16.858 4.239 177 H SER 20 HN SER 20 10.908 -19.352 3.733 178 HA SER 20 HA SER 20 11.157 -18.415 6.425 179 HB2 SER 20 HB2 SER 20 13.485 -18.492 4.521 180 HB3 SER 20 HB1 SER 20 13.395 -19.039 6.196 181 HG SER 20 HG SER 20 12.813 -20.391 3.875 182 H SER 21 HN SER 21 12.425 -16.224 7.026 183 HA SER 21 HA SER 21 11.141 -14.111 5.745 184 HB2 SER 21 HB2 SER 21 12.967 -12.722 6.986 185 HB3 SER 21 HB1 SER 21 11.759 -13.614 7.905 186 HG SER 21 HG SER 21 13.983 -13.867 8.617 187 H ARG 22 HN ARG 22 14.535 -15.202 5.013 188 HA ARG 22 HA ARG 22 14.954 -13.101 3.269 189 HB2 ARG 22 HB2 ARG 22 16.935 -13.972 3.316 190 HB3 ARG 22 HB1 ARG 22 16.416 -15.564 3.748 191 HG2 ARG 22 HG2 ARG 22 16.296 -14.604 0.898 192 HG3 ARG 22 HG1 ARG 22 17.806 -15.178 1.610 193 HD2 ARG 22 HD2 ARG 22 15.628 -16.990 2.179 194 HD3 ARG 22 HD1 ARG 22 15.814 -16.748 0.443 195 HE ARG 22 HE ARG 22 18.304 -17.222 1.733 196 HH11 ARG 22 HH12 ARG 22 15.443 -18.885 0.520 197 HH12 ARG 22 HH11 ARG 22 16.294 -20.378 0.260 198 HH21 ARG 22 HH21 ARG 22 19.390 -19.150 1.352 199 HH22 ARG 22 HH22 ARG 22 18.546 -20.531 0.735 200 H ASP 23 HN ASP 23 13.161 -16.102 2.325 201 HA ASP 23 HA ASP 23 12.965 -15.461 -0.406 202 HB2 ASP 23 HB2 ASP 23 10.824 -17.042 1.033 203 HB3 ASP 23 HB1 ASP 23 11.355 -17.223 -0.612 204 H VAL 24 HN VAL 24 10.612 -14.792 2.283 205 HA VAL 24 HA VAL 24 8.820 -13.345 0.680 206 HB VAL 24 HB VAL 24 7.952 -12.335 2.846 207 HG11 VAL 24 HG11 VAL 24 6.875 -14.480 3.478 208 HG12 VAL 24 HG12 VAL 24 7.938 -15.295 2.347 209 HG13 VAL 24 HG13 VAL 24 6.782 -14.125 1.762 210 HG21 VAL 24 HG21 VAL 24 9.825 -12.666 4.280 211 HG22 VAL 24 HG22 VAL 24 9.736 -14.410 4.041 212 HG23 VAL 24 HG23 VAL 24 8.425 -13.555 4.858 213 H GLU 25 HN GLU 25 11.384 -12.053 2.800 214 HA GLU 25 HA GLU 25 11.283 -9.474 2.000 215 HB2 GLU 25 HB2 GLU 25 13.132 -9.172 3.194 216 HB3 GLU 25 HB1 GLU 25 12.980 -10.844 3.606 217 HG2 GLU 25 HG2 GLU 25 14.788 -11.459 2.202 218 HG3 GLU 25 HG1 GLU 25 14.674 -9.994 1.238 219 H ASN 26 HN ASN 26 13.276 -11.871 -0.008 220 HA ASN 26 HA ASN 26 13.932 -9.870 -1.848 221 HB2 ASN 26 HB2 ASN 26 13.906 -12.853 -2.402 222 HB3 ASN 26 HB1 ASN 26 14.409 -11.644 -3.545 223 HD21 ASN 26 HD21 ASN 26 15.193 -11.191 -0.168 224 HD22 ASN 26 HD22 ASN 26 16.878 -11.520 -0.344 225 H GLU 27 HN GLU 27 11.488 -12.500 -2.431 226 HA GLU 27 HA GLU 27 10.565 -11.283 -4.743 227 HB2 GLU 27 HB2 GLU 27 10.004 -13.639 -3.576 228 HB3 GLU 27 HB1 GLU 27 8.522 -12.777 -3.237 229 HG2 GLU 27 HG2 GLU 27 7.865 -12.704 -5.430 230 HG3 GLU 27 HG1 GLU 27 9.510 -12.814 -6.060 231 H PHE 28 HN PHE 28 9.238 -10.667 -1.385 232 HA PHE 28 HA PHE 28 7.369 -8.843 -2.512 233 HB2 PHE 28 HB2 PHE 28 8.049 -9.367 0.348 234 HB3 PHE 28 HB1 PHE 28 6.982 -8.059 -0.127 235 HD1 PHE 28 HD2 PHE 28 4.982 -8.751 -1.690 236 HD2 PHE 28 HD1 PHE 28 7.145 -11.446 0.811 237 HE1 PHE 28 HE2 PHE 28 3.075 -10.290 -1.693 238 HE2 PHE 28 HE1 PHE 28 5.216 -12.996 0.764 239 HZ PHE 28 HZ PHE 28 3.208 -12.418 -0.488 240 H ARG 29 HN ARG 29 10.605 -8.176 -1.011 241 HA ARG 29 HA ARG 29 10.436 -5.449 -1.520 242 HB2 ARG 29 HB2 ARG 29 12.815 -5.098 -1.982 243 HB3 ARG 29 HB1 ARG 29 12.536 -5.937 -0.489 244 HG2 ARG 29 HG2 ARG 29 14.227 -7.176 -1.140 245 HG3 ARG 29 HG1 ARG 29 13.037 -8.026 -2.162 246 HD2 ARG 29 HD2 ARG 29 15.335 -6.283 -2.836 247 HD3 ARG 29 HD1 ARG 29 14.659 -7.643 -3.704 248 HE ARG 29 HE ARG 29 12.877 -5.954 -4.401 249 HH11 ARG 29 HH12 ARG 29 16.260 -5.118 -3.889 250 HH12 ARG 29 HH11 ARG 29 16.208 -3.813 -5.027 251 HH21 ARG 29 HH22 ARG 29 12.818 -4.237 -5.792 252 HH22 ARG 29 HH21 ARG 29 14.242 -3.307 -6.113 253 H LYS 30 HN LYS 30 11.176 -7.807 -4.290 254 HA LYS 30 HA LYS 30 11.149 -5.663 -6.100 255 HB2 LYS 30 HB2 LYS 30 11.327 -7.310 -7.645 256 HB3 LYS 30 HB1 LYS 30 10.813 -8.511 -6.490 257 HG2 LYS 30 HG2 LYS 30 9.564 -8.686 -8.569 258 HG3 LYS 30 HG1 LYS 30 8.455 -8.231 -7.286 259 HD2 LYS 30 HD2 LYS 30 9.102 -5.788 -8.289 260 HD3 LYS 30 HD1 LYS 30 9.242 -6.775 -9.749 261 HE2 LYS 30 HE2 LYS 30 6.818 -7.089 -7.994 262 HE3 LYS 30 HE1 LYS 30 6.920 -5.669 -9.035 263 HZ1 LYS 30 HZ1 LYS 30 7.123 -7.135 -10.961 264 HZ2 LYS 30 HZ2 LYS 30 5.737 -7.497 -10.056 265 HZ3 LYS 30 HZ3 LYS 30 7.085 -8.503 -9.949 266 H TYR 31 HN TYR 31 8.403 -7.160 -4.594 267 HA TYR 31 HA TYR 31 6.565 -5.881 -6.314 268 HB2 TYR 31 HB2 TYR 31 6.417 -7.752 -3.989 269 HB3 TYR 31 HB1 TYR 31 4.926 -6.992 -4.483 270 HD1 TYR 31 HD1 TYR 31 4.236 -7.369 -7.108 271 HD2 TYR 31 HD2 TYR 31 7.083 -9.823 -5.035 272 HE1 TYR 31 HE1 TYR 31 4.037 -9.129 -8.848 273 HE2 TYR 31 HE2 TYR 31 6.846 -11.535 -6.764 274 HH TYR 31 HH TYR 31 4.962 -12.123 -8.569 275 H GLY 32 HN GLY 32 7.326 -5.174 -2.803 276 HA2 GLY 32 HA2 GLY 32 7.010 -2.418 -3.634 277 HA3 GLY 32 HA1 GLY 32 6.095 -2.928 -2.214 278 H ASN 33 HN ASN 33 7.823 -0.944 -1.472 279 HA ASN 33 HA ASN 33 10.443 -2.123 -1.077 280 HB2 ASN 33 HB2 ASN 33 9.412 0.640 -0.645 281 HB3 ASN 33 HB1 ASN 33 10.803 0.110 0.276 282 HD21 ASN 33 HD21 ASN 33 10.644 2.174 -1.698 283 HD22 ASN 33 HD22 ASN 33 11.756 1.736 -2.954 284 H ILE 34 HN ILE 34 10.388 -3.732 0.465 285 HA ILE 34 HA ILE 34 8.838 -3.531 2.805 286 HB ILE 34 HB ILE 34 9.095 -5.745 2.543 287 HG12 ILE 34 HG12 ILE 34 10.261 -5.217 4.811 288 HG13 ILE 34 HG11 ILE 34 10.350 -6.840 4.153 289 HG21 ILE 34 HG21 ILE 34 11.182 -6.833 1.682 290 HG22 ILE 34 HG22 ILE 34 11.795 -5.198 1.411 291 HG23 ILE 34 HG23 ILE 34 10.325 -5.737 0.601 292 HD11 ILE 34 HD11 ILE 34 12.678 -6.147 3.290 293 HD12 ILE 34 HD12 ILE 34 12.497 -6.383 5.013 294 HD13 ILE 34 HD13 ILE 34 12.520 -4.758 4.352 295 H LEU 35 HN LEU 35 9.160 -2.721 4.830 296 HA LEU 35 HA LEU 35 11.843 -1.705 5.487 297 HB2 LEU 35 HB2 LEU 35 9.134 -0.772 6.255 298 HB3 LEU 35 HB1 LEU 35 10.339 -0.735 7.524 299 HG LEU 35 HG LEU 35 11.783 0.695 6.143 300 HD11 LEU 35 HD11 LEU 35 9.559 0.571 4.129 301 HD12 LEU 35 HD12 LEU 35 11.220 0.025 3.917 302 HD13 LEU 35 HD13 LEU 35 10.873 1.743 4.101 303 HD21 LEU 35 HD21 LEU 35 8.978 1.774 6.383 304 HD22 LEU 35 HD22 LEU 35 10.458 2.718 6.239 305 HD23 LEU 35 HD23 LEU 35 10.184 1.726 7.670 306 H LYS 36 HN LYS 36 9.627 -4.205 6.358 307 HA LYS 36 HA LYS 36 11.367 -5.249 8.435 308 HB2 LYS 36 HB2 LYS 36 9.805 -3.447 9.455 309 HB3 LYS 36 HB1 LYS 36 8.521 -4.616 9.236 310 HG2 LYS 36 HG2 LYS 36 10.961 -5.327 10.823 311 HG3 LYS 36 HG1 LYS 36 9.662 -4.378 11.535 312 HD2 LYS 36 HD2 LYS 36 8.278 -6.433 10.372 313 HD3 LYS 36 HD1 LYS 36 9.760 -7.232 10.895 314 HE2 LYS 36 HE2 LYS 36 8.067 -7.366 12.619 315 HE3 LYS 36 HE1 LYS 36 9.404 -6.354 13.155 316 HZ1 LYS 36 HZ1 LYS 36 6.898 -5.288 11.985 317 HZ2 LYS 36 HZ2 LYS 36 8.134 -4.403 12.724 318 HZ3 LYS 36 HZ3 LYS 36 7.170 -5.442 13.646 319 H CYS 37 HN CYS 37 11.099 -7.604 8.562 320 HA CYS 37 HA CYS 37 8.652 -8.753 7.427 321 HB2 CYS 37 HB2 CYS 37 10.439 -10.503 6.404 322 HB3 CYS 37 HB1 CYS 37 9.856 -9.108 5.493 323 HG CYS 37 HG CYS 37 12.743 -9.713 5.343 324 H ASP 38 HN ASP 38 7.877 -9.804 9.220 325 HA ASP 38 HA ASP 38 9.968 -11.519 10.561 326 HB2 ASP 38 HB2 ASP 38 8.984 -9.588 11.915 327 HB3 ASP 38 HB1 ASP 38 7.515 -10.585 12.024 328 H VAL 39 HN VAL 39 9.424 -13.635 11.225 329 HA VAL 39 HA VAL 39 6.900 -14.625 10.297 330 HB VAL 39 HB VAL 39 8.048 -15.392 8.390 331 HG11 VAL 39 HG11 VAL 39 10.346 -16.279 8.357 332 HG12 VAL 39 HG12 VAL 39 10.498 -15.964 10.078 333 HG13 VAL 39 HG13 VAL 39 10.274 -14.626 8.946 334 HG21 VAL 39 HG21 VAL 39 8.595 -17.730 8.370 335 HG22 VAL 39 HG22 VAL 39 7.208 -17.549 9.437 336 HG23 VAL 39 HG23 VAL 39 8.825 -17.769 10.103 337 H LYS 40 HN LYS 40 5.843 -15.503 11.904 338 HA LYS 40 HA LYS 40 7.309 -16.566 14.246 339 HB2 LYS 40 HB2 LYS 40 4.762 -14.982 13.855 340 HB3 LYS 40 HB1 LYS 40 5.137 -15.774 15.401 341 HG2 LYS 40 HG2 LYS 40 7.388 -14.456 15.221 342 HG3 LYS 40 HG1 LYS 40 6.504 -13.479 14.045 343 HD2 LYS 40 HD2 LYS 40 4.717 -13.129 15.710 344 HD3 LYS 40 HD1 LYS 40 5.659 -14.017 16.897 345 HE2 LYS 40 HE2 LYS 40 6.283 -11.339 15.665 346 HE3 LYS 40 HE1 LYS 40 5.937 -11.706 17.347 347 HZ1 LYS 40 HZ1 LYS 40 8.363 -12.439 15.816 348 HZ2 LYS 40 HZ2 LYS 40 8.024 -13.030 17.371 349 HZ3 LYS 40 HZ3 LYS 40 8.256 -11.374 17.129 350 H LYS 41 HN LYS 41 6.106 -18.623 15.378 351 HA LYS 41 HA LYS 41 4.409 -19.837 13.326 352 HB2 LYS 41 HB2 LYS 41 5.638 -21.851 13.017 353 HB3 LYS 41 HB1 LYS 41 6.950 -20.734 13.240 354 HG2 LYS 41 HG2 LYS 41 5.871 -22.673 15.297 355 HG3 LYS 41 HG1 LYS 41 7.392 -22.779 14.420 356 HD2 LYS 41 HD2 LYS 41 6.631 -20.637 16.401 357 HD3 LYS 41 HD1 LYS 41 7.732 -21.985 16.722 358 HE2 LYS 41 HE2 LYS 41 8.965 -20.943 14.602 359 HE3 LYS 41 HE1 LYS 41 8.127 -19.489 15.149 360 HZ1 LYS 41 HZ1 LYS 41 10.281 -19.557 16.111 361 HZ2 LYS 41 HZ2 LYS 41 10.053 -21.128 16.685 362 HZ3 LYS 41 HZ3 LYS 41 9.157 -19.851 17.346 363 H THR 42 HN THR 42 2.599 -21.295 14.249 364 HA THR 42 HA THR 42 2.536 -20.978 17.119 365 HB THR 42 HB THR 42 0.497 -20.339 15.757 366 HG1 THR 42 HG1 THR 42 -0.769 -20.787 17.402 367 HG21 THR 42 HG21 THR 42 0.417 -23.263 15.195 368 HG22 THR 42 HG22 THR 42 0.004 -21.931 14.121 369 HG23 THR 42 HG23 THR 42 -1.098 -22.402 15.410 370 H VAL 43 HN VAL 43 1.245 -23.070 18.263 371 HA VAL 43 HA VAL 43 3.115 -25.256 18.030 372 HB VAL 43 HB VAL 43 0.708 -25.481 19.836 373 HG11 VAL 43 HG11 VAL 43 3.620 -26.126 20.186 374 HG12 VAL 43 HG12 VAL 43 2.326 -27.258 19.798 375 HG13 VAL 43 HG13 VAL 43 2.343 -26.440 21.360 376 HG21 VAL 43 HG21 VAL 43 1.798 -24.131 21.588 377 HG22 VAL 43 HG22 VAL 43 1.317 -23.143 20.215 378 HG23 VAL 43 HG23 VAL 43 3.009 -23.592 20.429 379 H SER 44 HN SER 44 0.291 -24.588 16.333 380 HA SER 44 HA SER 44 -0.768 -27.291 16.225 381 HB2 SER 44 HB2 SER 44 -2.221 -25.140 16.207 382 HB3 SER 44 HB1 SER 44 -1.647 -24.906 14.556 383 HG SER 44 HG SER 44 -2.648 -27.413 15.089 384 H GLY 45 HN GLY 45 1.843 -25.856 14.884 385 HA2 GLY 45 HA2 GLY 45 3.223 -26.563 13.167 386 HA3 GLY 45 HA1 GLY 45 1.975 -27.674 12.645 387 H ALA 46 HN ALA 46 0.223 -24.987 12.609 388 HA ALA 46 HA ALA 46 0.785 -24.250 9.903 389 HB1 ALA 46 HB1 ALA 46 -1.118 -22.922 11.880 390 HB2 ALA 46 HB2 ALA 46 -1.531 -24.216 10.753 391 HB3 ALA 46 HB3 ALA 46 -1.065 -22.636 10.141 392 H ALA 47 HN ALA 47 1.942 -22.405 9.174 393 HA ALA 47 HA ALA 47 3.459 -20.989 11.265 394 HB1 ALA 47 HB1 ALA 47 5.498 -21.279 10.192 395 HB2 ALA 47 HB2 ALA 47 4.764 -21.628 8.641 396 HB3 ALA 47 HB3 ALA 47 4.727 -22.834 9.932 397 H PHE 48 HN PHE 48 3.894 -18.629 10.873 398 HA PHE 48 HA PHE 48 2.129 -17.676 8.674 399 HB2 PHE 48 HB2 PHE 48 2.652 -16.322 11.334 400 HB3 PHE 48 HB1 PHE 48 1.387 -15.940 10.162 401 HD1 PHE 48 HD2 PHE 48 -0.403 -17.660 9.762 402 HD2 PHE 48 HD1 PHE 48 2.307 -17.836 13.025 403 HE1 PHE 48 HE2 PHE 48 -1.927 -19.146 10.947 404 HE2 PHE 48 HE1 PHE 48 0.810 -19.241 14.206 405 HZ PHE 48 HZ PHE 48 -1.341 -19.963 13.212 406 H ALA 49 HN ALA 49 2.700 -15.647 7.633 407 HA ALA 49 HA ALA 49 5.238 -14.489 8.442 408 HB1 ALA 49 HB1 ALA 49 5.381 -15.941 6.218 409 HB2 ALA 49 HB2 ALA 49 6.344 -14.498 6.461 410 HB3 ALA 49 HB3 ALA 49 4.850 -14.413 5.506 411 H PHE 50 HN PHE 50 5.668 -12.305 7.866 412 HA PHE 50 HA PHE 50 3.203 -10.779 8.059 413 HB2 PHE 50 HB2 PHE 50 4.014 -11.523 10.362 414 HB3 PHE 50 HB1 PHE 50 5.527 -10.661 10.064 415 HD1 PHE 50 HD1 PHE 50 1.911 -10.293 10.672 416 HD2 PHE 50 HD2 PHE 50 5.673 -8.320 10.375 417 HE1 PHE 50 HE1 PHE 50 0.955 -8.308 11.759 418 HE2 PHE 50 HE2 PHE 50 4.722 -6.330 11.461 419 HZ PHE 50 HZ PHE 50 2.360 -6.327 12.161 420 H ILE 51 HN ILE 51 3.524 -9.118 6.445 421 HA ILE 51 HA ILE 51 6.433 -8.414 6.006 422 HB ILE 51 HB ILE 51 4.650 -8.488 3.520 423 HG12 ILE 51 HG12 ILE 51 5.812 -10.652 2.865 424 HG13 ILE 51 HG11 ILE 51 6.455 -10.791 4.477 425 HG21 ILE 51 HG21 ILE 51 6.677 -7.182 3.496 426 HG22 ILE 51 HG22 ILE 51 6.800 -8.553 2.392 427 HG23 ILE 51 HG23 ILE 51 7.632 -8.594 3.951 428 HD11 ILE 51 HD11 ILE 51 4.534 -12.279 4.097 429 HD12 ILE 51 HD12 ILE 51 3.518 -10.891 3.684 430 HD13 ILE 51 HD13 ILE 51 4.147 -11.073 5.321 431 H GLU 52 HN GLU 52 6.680 -6.475 6.491 432 HA GLU 52 HA GLU 52 4.462 -4.589 6.208 433 HB2 GLU 52 HB2 GLU 52 4.959 -4.795 8.485 434 HB3 GLU 52 HB1 GLU 52 6.670 -4.819 8.217 435 HG2 GLU 52 HG2 GLU 52 6.209 -2.352 7.367 436 HG3 GLU 52 HG1 GLU 52 4.810 -2.526 8.420 437 H PHE 53 HN PHE 53 4.686 -3.448 4.318 438 HA PHE 53 HA PHE 53 7.369 -2.452 3.631 439 HB2 PHE 53 HB2 PHE 53 6.127 -2.324 1.206 440 HB3 PHE 53 HB1 PHE 53 6.980 -3.742 1.775 441 HD1 PHE 53 HD2 PHE 53 3.566 -2.359 2.394 442 HD2 PHE 53 HD1 PHE 53 5.918 -5.649 1.027 443 HE1 PHE 53 HE2 PHE 53 1.530 -3.663 2.024 444 HE2 PHE 53 HE1 PHE 53 3.881 -6.963 0.643 445 HZ PHE 53 HZ PHE 53 1.680 -5.939 1.154 446 H GLU 54 HN GLU 54 7.744 -0.169 3.188 447 HA GLU 54 HA GLU 54 5.850 1.779 3.737 448 HB2 GLU 54 HB2 GLU 54 7.236 3.397 2.839 449 HB3 GLU 54 HB1 GLU 54 8.359 2.107 3.181 450 HG2 GLU 54 HG2 GLU 54 8.263 1.450 0.762 451 HG3 GLU 54 HG1 GLU 54 7.262 2.873 0.442 452 H ASP 55 HN ASP 55 5.801 -0.145 0.772 453 HA ASP 55 HA ASP 55 3.849 1.802 -0.300 454 HB2 ASP 55 HB2 ASP 55 5.448 -0.315 -1.775 455 HB3 ASP 55 HB1 ASP 55 4.250 0.711 -2.531 456 H ALA 56 HN ALA 56 1.799 1.006 0.415 457 HA ALA 56 HA ALA 56 1.275 -1.771 0.353 458 HB1 ALA 56 HB1 ALA 56 -1.097 -1.158 0.785 459 HB2 ALA 56 HB2 ALA 56 -0.623 0.536 0.694 460 HB3 ALA 56 HB3 ALA 56 0.078 -0.506 1.920 461 H ARG 57 HN ARG 57 0.549 0.687 -2.294 462 HA ARG 57 HA ARG 57 -1.318 -1.263 -3.313 463 HB2 ARG 57 HB2 ARG 57 -2.174 0.127 -4.928 464 HB3 ARG 57 HB1 ARG 57 -1.895 1.185 -3.569 465 HG2 ARG 57 HG2 ARG 57 -0.093 0.961 -6.001 466 HG3 ARG 57 HG1 ARG 57 -1.372 2.153 -5.834 467 HD2 ARG 57 HD2 ARG 57 0.143 3.533 -4.952 468 HD3 ARG 57 HD1 ARG 57 0.249 2.487 -3.540 469 HE ARG 57 HE ARG 57 1.874 1.675 -5.803 470 HH11 ARG 57 HH11 ARG 57 1.813 3.526 -2.790 471 HH12 ARG 57 HH12 ARG 57 3.542 3.503 -2.622 472 HH21 ARG 57 HH22 ARG 57 4.118 1.682 -5.577 473 HH22 ARG 57 HH21 ARG 57 4.840 2.465 -4.196 474 H ASP 58 HN ASP 58 2.074 -0.454 -4.353 475 HA ASP 58 HA ASP 58 1.791 -2.031 -6.693 476 HB2 ASP 58 HB2 ASP 58 4.195 -0.858 -5.351 477 HB3 ASP 58 HB1 ASP 58 4.429 -2.124 -6.565 478 H ALA 59 HN ALA 59 2.615 -3.289 -3.447 479 HA ALA 59 HA ALA 59 3.603 -5.719 -4.294 480 HB1 ALA 59 HB1 ALA 59 3.182 -6.295 -1.760 481 HB2 ALA 59 HB2 ALA 59 2.985 -4.547 -1.654 482 HB3 ALA 59 HB3 ALA 59 4.480 -5.229 -2.303 483 H ALA 60 HN ALA 60 0.455 -4.520 -3.793 484 HA ALA 60 HA ALA 60 -1.286 -6.569 -3.599 485 HB1 ALA 60 HB1 ALA 60 -2.145 -4.343 -3.657 486 HB2 ALA 60 HB2 ALA 60 -2.879 -5.170 -5.016 487 HB3 ALA 60 HB3 ALA 60 -1.544 -4.062 -5.295 488 H ASP 61 HN ASP 61 0.503 -5.858 -6.811 489 HA ASP 61 HA ASP 61 -0.533 -7.913 -8.336 490 HB2 ASP 61 HB2 ASP 61 2.423 -7.256 -8.156 491 HB3 ASP 61 HB1 ASP 61 1.673 -8.321 -9.333 492 H ALA 62 HN ALA 62 2.127 -8.478 -5.927 493 HA ALA 62 HA ALA 62 1.903 -11.282 -6.106 494 HB1 ALA 62 HB1 ALA 62 3.098 -11.547 -3.996 495 HB2 ALA 62 HB2 ALA 62 3.049 -9.809 -3.708 496 HB3 ALA 62 HB3 ALA 62 3.920 -10.459 -5.093 497 H ILE 63 HN ILE 63 0.050 -9.037 -3.947 498 HA ILE 63 HA ILE 63 -0.803 -11.381 -2.561 499 HB ILE 63 HB ILE 63 -0.820 -8.850 -1.763 500 HG12 ILE 63 HG12 ILE 63 -1.512 -11.345 -0.722 501 HG13 ILE 63 HG11 ILE 63 -1.193 -9.875 0.167 502 HG21 ILE 63 HG21 ILE 63 -3.759 -9.316 -2.135 503 HG22 ILE 63 HG22 ILE 63 -2.805 -8.277 -3.196 504 HG23 ILE 63 HG23 ILE 63 -2.945 -7.900 -1.477 505 HD11 ILE 63 HD11 ILE 63 -3.831 -11.065 -0.517 506 HD12 ILE 63 HD12 ILE 63 -3.676 -9.385 -0.073 507 HD13 ILE 63 HD13 ILE 63 -3.158 -10.641 1.044 508 H LYS 64 HN LYS 64 -2.599 -9.606 -5.209 509 HA LYS 64 HA LYS 64 -4.546 -11.544 -5.478 510 HB2 LYS 64 HB2 LYS 64 -4.666 -10.943 -7.888 511 HB3 LYS 64 HB1 LYS 64 -4.786 -9.567 -6.825 512 HG2 LYS 64 HG2 LYS 64 -3.350 -8.632 -8.319 513 HG3 LYS 64 HG1 LYS 64 -2.113 -9.492 -7.403 514 HD2 LYS 64 HD2 LYS 64 -1.816 -11.117 -9.033 515 HD3 LYS 64 HD1 LYS 64 -3.419 -10.837 -9.742 516 HE2 LYS 64 HE2 LYS 64 -0.967 -9.101 -9.966 517 HE3 LYS 64 HE1 LYS 64 -1.755 -10.008 -11.245 518 HZ1 LYS 64 HZ1 LYS 64 -3.716 -8.553 -10.940 519 HZ2 LYS 64 HZ2 LYS 64 -2.334 -7.728 -11.464 520 HZ3 LYS 64 HZ3 LYS 64 -2.818 -7.618 -9.849 521 H GLU 65 HN GLU 65 -1.117 -11.803 -6.446 522 HA GLU 65 HA GLU 65 -1.728 -14.030 -8.203 523 HB2 GLU 65 HB2 GLU 65 0.042 -13.141 -9.198 524 HB3 GLU 65 HB1 GLU 65 0.300 -12.065 -7.841 525 HG2 GLU 65 HG2 GLU 65 1.527 -14.005 -6.797 526 HG3 GLU 65 HG1 GLU 65 1.486 -14.673 -8.408 527 H LYS 66 HN LYS 66 -0.842 -13.744 -4.871 528 HA LYS 66 HA LYS 66 -0.342 -16.620 -4.792 529 HB2 LYS 66 HB2 LYS 66 -0.109 -14.640 -2.486 530 HB3 LYS 66 HB1 LYS 66 0.427 -16.298 -2.471 531 HG2 LYS 66 HG2 LYS 66 1.660 -13.928 -3.896 532 HG3 LYS 66 HG1 LYS 66 2.327 -14.840 -2.568 533 HD2 LYS 66 HD2 LYS 66 2.676 -16.792 -4.093 534 HD3 LYS 66 HD1 LYS 66 2.030 -15.836 -5.430 535 HE2 LYS 66 HE2 LYS 66 3.875 -14.254 -5.221 536 HE3 LYS 66 HE1 LYS 66 4.477 -15.117 -3.804 537 HZ1 LYS 66 HZ1 LYS 66 5.702 -15.677 -5.813 538 HZ2 LYS 66 HZ2 LYS 66 4.281 -16.254 -6.543 539 HZ3 LYS 66 HZ3 LYS 66 4.912 -17.039 -5.181 540 H ASP 67 HN ASP 67 -3.164 -15.339 -5.270 541 HA ASP 67 HA ASP 67 -4.391 -15.469 -2.656 542 HB2 ASP 67 HB2 ASP 67 -6.162 -14.290 -3.181 543 HB3 ASP 67 HB1 ASP 67 -5.022 -13.585 -4.311 544 H GLY 68 HN GLY 68 -6.822 -16.523 -2.668 545 HA2 GLY 68 HA2 GLY 68 -7.560 -18.849 -2.986 546 HA3 GLY 68 HA1 GLY 68 -5.871 -19.264 -3.177 547 H CYS 69 HN CYS 69 -6.895 -17.026 -0.688 548 HA CYS 69 HA CYS 69 -5.741 -18.100 1.485 549 HB2 CYS 69 HB2 CYS 69 -7.871 -16.873 2.660 550 HB3 CYS 69 HB1 CYS 69 -6.571 -15.984 1.880 551 HG CYS 69 HG CYS 69 -9.614 -16.735 0.535 552 H ASP 70 HN ASP 70 -6.098 -19.752 2.904 553 HA ASP 70 HA ASP 70 -7.220 -21.998 1.820 554 HB2 ASP 70 HB2 ASP 70 -5.589 -22.262 3.574 555 HB3 ASP 70 HB1 ASP 70 -6.627 -21.487 4.760 556 H PHE 71 HN PHE 71 -9.247 -22.170 1.179 557 HA PHE 71 HA PHE 71 -11.344 -22.499 3.074 558 HB2 PHE 71 HB2 PHE 71 -11.125 -19.951 1.942 559 HB3 PHE 71 HB1 PHE 71 -12.315 -20.766 0.928 560 HD1 PHE 71 HD1 PHE 71 -11.516 -20.426 4.569 561 HD2 PHE 71 HD2 PHE 71 -14.542 -20.536 1.576 562 HE1 PHE 71 HE1 PHE 71 -13.235 -20.022 6.281 563 HE2 PHE 71 HE2 PHE 71 -16.250 -20.147 3.280 564 HZ PHE 71 HZ PHE 71 -15.603 -19.882 5.637 565 H GLU 72 HN GLU 72 -12.735 -24.104 2.295 566 HA GLU 72 HA GLU 72 -13.822 -25.532 0.854 567 HB2 GLU 72 HB2 GLU 72 -12.899 -24.327 -1.715 568 HB3 GLU 72 HB1 GLU 72 -14.465 -24.954 -1.293 569 HG2 GLU 72 HG2 GLU 72 -15.000 -22.789 -0.178 570 HG3 GLU 72 HG1 GLU 72 -13.389 -22.217 -0.655 571 H GLY 73 HN GLY 73 -11.588 -26.628 1.723 572 HA2 GLY 73 HA2 GLY 73 -10.304 -28.470 1.226 573 HA3 GLY 73 HA1 GLY 73 -10.864 -28.351 -0.417 574 H ASN 74 HN ASN 74 -9.432 -25.406 0.011 575 HA ASN 74 HA ASN 74 -6.904 -26.598 -0.996 576 HB2 ASN 74 HB2 ASN 74 -8.195 -25.547 -2.920 577 HB3 ASN 74 HB1 ASN 74 -8.139 -24.014 -2.069 578 HD21 ASN 74 HD21 ASN 74 -5.597 -23.528 -1.457 579 HD22 ASN 74 HD22 ASN 74 -4.553 -23.708 -2.822 580 H LYS 75 HN LYS 75 -5.117 -26.052 0.092 581 HA LYS 75 HA LYS 75 -5.669 -24.308 2.433 582 HB2 LYS 75 HB2 LYS 75 -4.364 -26.845 2.203 583 HB3 LYS 75 HB1 LYS 75 -3.125 -25.698 2.648 584 HG2 LYS 75 HG2 LYS 75 -3.739 -25.854 4.777 585 HG3 LYS 75 HG1 LYS 75 -5.363 -25.299 4.391 586 HD2 LYS 75 HD2 LYS 75 -4.567 -28.198 3.981 587 HD3 LYS 75 HD1 LYS 75 -5.087 -27.608 5.561 588 HE2 LYS 75 HE2 LYS 75 -6.772 -27.293 3.055 589 HE3 LYS 75 HE1 LYS 75 -6.901 -28.665 4.142 590 HZ1 LYS 75 HZ1 LYS 75 -8.546 -27.034 4.656 591 HZ2 LYS 75 HZ2 LYS 75 -7.384 -25.812 4.803 592 HZ3 LYS 75 HZ3 LYS 75 -7.430 -27.084 5.927 593 H LEU 76 HN LEU 76 -5.139 -22.074 1.739 594 HA LEU 76 HA LEU 76 -2.254 -21.635 1.920 595 HB2 LEU 76 HB2 LEU 76 -3.610 -21.163 -0.741 596 HB3 LEU 76 HB1 LEU 76 -2.512 -19.942 -0.160 597 HG LEU 76 HG LEU 76 -1.066 -22.327 0.035 598 HD11 LEU 76 HD11 LEU 76 -1.224 -23.262 -2.210 599 HD12 LEU 76 HD12 LEU 76 -2.582 -22.196 -2.573 600 HD13 LEU 76 HD13 LEU 76 -2.744 -23.449 -1.339 601 HD21 LEU 76 HD21 LEU 76 -0.291 -20.063 -0.613 602 HD22 LEU 76 HD22 LEU 76 -1.066 -20.278 -2.182 603 HD23 LEU 76 HD23 LEU 76 0.270 -21.327 -1.704 604 H ARG 77 HN ARG 77 -2.493 -19.877 3.600 605 HA ARG 77 HA ARG 77 -5.057 -18.472 3.371 606 HB2 ARG 77 HB2 ARG 77 -4.425 -19.528 5.559 607 HB3 ARG 77 HB1 ARG 77 -2.990 -18.536 5.625 608 HG2 ARG 77 HG2 ARG 77 -5.757 -17.314 5.770 609 HG3 ARG 77 HG1 ARG 77 -4.921 -17.934 7.175 610 HD2 ARG 77 HD2 ARG 77 -3.004 -16.346 6.440 611 HD3 ARG 77 HD1 ARG 77 -4.244 -15.536 5.501 612 HE ARG 77 HE ARG 77 -3.971 -15.486 8.343 613 HH11 ARG 77 HH11 ARG 77 -6.267 -15.196 5.721 614 HH12 ARG 77 HH12 ARG 77 -7.362 -14.186 6.604 615 HH21 ARG 77 HH22 ARG 77 -5.377 -14.074 9.496 616 HH22 ARG 77 HH21 ARG 77 -6.854 -13.545 8.751 617 H VAL 78 HN VAL 78 -4.813 -16.471 2.027 618 HA VAL 78 HA VAL 78 -2.344 -14.967 2.634 619 HB VAL 78 HB VAL 78 -3.531 -15.447 -0.177 620 HG11 VAL 78 HG11 VAL 78 -1.832 -14.040 -1.053 621 HG12 VAL 78 HG12 VAL 78 -1.075 -13.837 0.525 622 HG13 VAL 78 HG13 VAL 78 -2.656 -13.122 0.208 623 HG21 VAL 78 HG21 VAL 78 -1.268 -16.656 1.334 624 HG22 VAL 78 HG22 VAL 78 -0.874 -16.108 -0.291 625 HG23 VAL 78 HG23 VAL 78 -2.161 -17.281 -0.057 626 H GLU 79 HN GLU 79 -2.966 -12.812 3.513 627 HA GLU 79 HA GLU 79 -5.386 -11.569 2.451 628 HB2 GLU 79 HB2 GLU 79 -6.457 -12.900 4.059 629 HB3 GLU 79 HB1 GLU 79 -5.133 -12.789 5.190 630 HG2 GLU 79 HG2 GLU 79 -5.891 -10.730 6.057 631 HG3 GLU 79 HG1 GLU 79 -6.979 -10.453 4.683 632 H VAL 80 HN VAL 80 -4.908 -9.324 2.218 633 HA VAL 80 HA VAL 80 -3.060 -8.087 3.995 634 HB VAL 80 HB VAL 80 -4.020 -5.899 3.143 635 HG11 VAL 80 HG11 VAL 80 -3.404 -6.381 0.720 636 HG12 VAL 80 HG12 VAL 80 -3.096 -8.018 1.259 637 HG13 VAL 80 HG13 VAL 80 -2.180 -6.693 1.942 638 HG21 VAL 80 HG21 VAL 80 -5.728 -7.702 1.459 639 HG22 VAL 80 HG22 VAL 80 -5.534 -5.962 1.218 640 HG23 VAL 80 HG23 VAL 80 -6.300 -6.580 2.688 641 HA PRO 81 HA PRO 81 -6.033 -7.119 7.266 642 HB2 PRO 81 HB2 PRO 81 -4.230 -6.776 9.238 643 HB3 PRO 81 HB1 PRO 81 -4.747 -8.387 8.707 644 HG2 PRO 81 HG2 PRO 81 -2.226 -6.943 8.171 645 HG3 PRO 81 HG1 PRO 81 -2.515 -8.681 8.355 646 HD2 PRO 81 HD2 PRO 81 -2.233 -7.287 5.942 647 HD3 PRO 81 HD1 PRO 81 -2.833 -8.945 6.135 648 H PHE 82 HN PHE 82 -4.142 -5.257 5.378 649 HA PHE 82 HA PHE 82 -4.697 -2.901 7.028 650 HB2 PHE 82 HB2 PHE 82 -3.410 -1.559 5.282 651 HB3 PHE 82 HB1 PHE 82 -2.449 -2.586 6.328 652 HD1 PHE 82 HD1 PHE 82 -3.728 -2.120 2.888 653 HD2 PHE 82 HD2 PHE 82 -1.115 -4.334 5.389 654 HE1 PHE 82 HE1 PHE 82 -2.572 -2.981 0.907 655 HE2 PHE 82 HE2 PHE 82 0.065 -5.203 3.441 656 HZ PHE 82 HZ PHE 82 -0.677 -4.532 1.172 657 H ASN 83 HN ASN 83 -5.154 -4.284 3.847 658 HA ASN 83 HA ASN 83 -6.677 -3.944 2.160 659 HB2 ASN 83 HB2 ASN 83 -8.253 -4.338 4.463 660 HB3 ASN 83 HB1 ASN 83 -8.893 -2.872 3.739 661 HD21 ASN 83 HD21 ASN 83 -9.930 -5.697 3.943 662 HD22 ASN 83 HD22 ASN 83 -10.374 -6.091 2.322 663 H ALA 84 HN ALA 84 -5.121 -1.859 1.779 664 HA ALA 84 HA ALA 84 -6.567 0.572 1.702 665 HB1 ALA 84 HB1 ALA 84 -5.444 1.812 3.507 666 HB2 ALA 84 HB2 ALA 84 -4.548 0.371 3.991 667 HB3 ALA 84 HB3 ALA 84 -6.303 0.426 4.170 668 H ARG 85 HN ARG 85 -4.872 2.485 1.340 669 HA ARG 85 HA ARG 85 -2.452 1.362 0.044 670 HB2 ARG 85 HB2 ARG 85 -3.880 2.306 -1.667 671 HB3 ARG 85 HB1 ARG 85 -4.049 3.796 -0.769 672 HG2 ARG 85 HG2 ARG 85 -1.595 4.177 -1.043 673 HG3 ARG 85 HG1 ARG 85 -1.560 2.777 -2.107 674 HD2 ARG 85 HD2 ARG 85 -2.848 3.836 -3.734 675 HD3 ARG 85 HD1 ARG 85 -3.398 5.081 -2.609 676 HE ARG 85 HE ARG 85 -0.713 5.423 -2.647 677 HH11 ARG 85 HH12 ARG 85 -3.137 5.300 -5.197 678 HH12 ARG 85 HH11 ARG 85 -2.260 6.355 -6.252 679 HH21 ARG 85 HH22 ARG 85 0.436 6.800 -4.043 680 HH22 ARG 85 HH21 ARG 85 -0.218 7.212 -5.594 681 H GLU 86 HN GLU 86 -0.403 2.511 0.618 682 HA GLU 86 HA GLU 86 -0.741 4.794 2.420 683 HB2 GLU 86 HB2 GLU 86 0.644 2.762 3.196 684 HB3 GLU 86 HB1 GLU 86 1.829 3.259 1.998 685 HG2 GLU 86 HG2 GLU 86 2.641 4.886 3.331 686 HG3 GLU 86 HG1 GLU 86 1.026 5.457 3.749 Start of MODEL 11 1 H1 GLY -2 HT1 GLY -2 -13.002 1.295 -2.437 2 H2 GLY -2 HT2 GLY -2 -11.921 1.155 -3.728 3 H3 GLY -2 HT3 GLY -2 -13.569 1.396 -4.024 4 HA2 GLY -2 HA1 GLY -2 -12.311 3.448 -4.363 5 HA3 GLY -2 HA2 GLY -2 -13.480 3.591 -3.053 6 H SER -1 HN SER -1 -10.590 4.677 -3.783 7 HA SER -1 HA SER -1 -9.648 4.706 -1.048 8 HB2 SER -1 HB2 SER -1 -7.400 3.846 -1.621 9 HB3 SER -1 HB1 SER -1 -8.650 2.635 -1.903 10 HG SER -1 HG SER -1 -7.676 4.346 -3.948 11 H HIS 0 HN HIS 0 -8.598 6.551 -0.525 12 HA HIS 0 HA HIS 0 -7.368 8.168 -2.639 13 HB2 HIS 0 HB2 HIS 0 -9.577 8.987 -0.914 14 HB3 HIS 0 HB1 HIS 0 -8.199 10.073 -0.805 15 HD1 HIS 0 HD1 HIS 0 -9.590 11.935 -1.950 16 HD2 HIS 0 HD2 HIS 0 -8.975 8.573 -4.321 17 HE1 HIS 0 HE1 HIS 0 -10.231 12.623 -4.288 18 HE2 HIS 0 HE2 HIS 0 -10.026 10.520 -5.658 19 H MET 1 HN MET 1 -7.653 8.951 0.835 20 HA MET 1 HA MET 1 -5.096 8.007 1.624 21 HB2 MET 1 HB2 MET 1 -4.014 10.307 1.963 22 HB3 MET 1 HB1 MET 1 -4.041 9.696 0.316 23 HG2 MET 1 HG2 MET 1 -5.340 11.367 -0.423 24 HG3 MET 1 HG1 MET 1 -6.341 11.373 1.023 25 HE1 MET 1 HE1 MET 1 -2.420 11.883 0.580 26 HE2 MET 1 HE2 MET 1 -2.335 13.644 0.568 27 HE3 MET 1 HE3 MET 1 -3.146 12.792 -0.746 28 H VAL 2 HN VAL 2 -5.714 7.450 3.666 29 HA VAL 2 HA VAL 2 -6.464 9.706 5.419 30 HB VAL 2 HB VAL 2 -7.505 6.875 5.800 31 HG11 VAL 2 HG11 VAL 2 -7.096 7.977 7.938 32 HG12 VAL 2 HG12 VAL 2 -8.828 7.799 7.646 33 HG13 VAL 2 HG13 VAL 2 -8.047 9.365 7.413 34 HG21 VAL 2 HG21 VAL 2 -8.652 8.075 3.992 35 HG22 VAL 2 HG22 VAL 2 -9.015 9.385 5.113 36 HG23 VAL 2 HG23 VAL 2 -9.712 7.786 5.370 37 H ILE 3 HN ILE 3 -4.887 6.525 5.208 38 HA ILE 3 HA ILE 3 -4.116 6.344 7.901 39 HB ILE 3 HB ILE 3 -4.303 4.326 6.674 40 HG12 ILE 3 HG12 ILE 3 -1.374 4.773 7.297 41 HG13 ILE 3 HG11 ILE 3 -2.615 4.272 8.444 42 HG21 ILE 3 HG21 ILE 3 -2.874 3.642 4.801 43 HG22 ILE 3 HG22 ILE 3 -2.123 5.237 4.780 44 HG23 ILE 3 HG23 ILE 3 -3.840 5.063 4.404 45 HD11 ILE 3 HD11 ILE 3 -1.636 2.686 6.071 46 HD12 ILE 3 HD12 ILE 3 -2.896 2.179 7.197 47 HD13 ILE 3 HD13 ILE 3 -1.242 2.395 7.765 48 H ARG 4 HN ARG 4 -2.938 7.900 8.890 49 HA ARG 4 HA ARG 4 -0.167 8.097 7.905 50 HB2 ARG 4 HB2 ARG 4 -1.945 10.181 9.111 51 HB3 ARG 4 HB1 ARG 4 -0.234 10.222 9.513 52 HG2 ARG 4 HG2 ARG 4 -0.062 11.525 7.645 53 HG3 ARG 4 HG1 ARG 4 -0.131 9.983 6.798 54 HD2 ARG 4 HD2 ARG 4 -1.672 11.528 5.786 55 HD3 ARG 4 HD1 ARG 4 -2.578 10.241 6.581 56 HE ARG 4 HE ARG 4 -3.381 11.766 8.131 57 HH11 ARG 4 HH12 ARG 4 -0.985 13.375 6.101 58 HH12 ARG 4 HH11 ARG 4 -1.423 14.959 6.641 59 HH21 ARG 4 HH21 ARG 4 -3.960 13.889 8.779 60 HH22 ARG 4 HH22 ARG 4 -3.097 15.252 8.149 61 H GLU 5 HN GLU 5 1.516 7.953 9.552 62 HA GLU 5 HA GLU 5 2.513 7.359 11.501 63 HB2 GLU 5 HB2 GLU 5 0.198 8.855 12.442 64 HB3 GLU 5 HB1 GLU 5 0.493 7.493 13.502 65 HG2 GLU 5 HG2 GLU 5 2.476 9.724 12.872 66 HG3 GLU 5 HG1 GLU 5 1.648 9.429 14.400 67 H SER 6 HN SER 6 1.731 5.295 10.008 68 HA SER 6 HA SER 6 1.237 3.256 11.976 69 HB2 SER 6 HB2 SER 6 -1.075 4.029 11.250 70 HB3 SER 6 HB1 SER 6 -0.704 3.386 9.653 71 HG SER 6 HG SER 6 -1.794 2.059 11.513 72 H VAL 7 HN VAL 7 1.374 0.983 10.857 73 HA VAL 7 HA VAL 7 3.295 1.167 8.630 74 HB VAL 7 HB VAL 7 4.500 -0.835 9.457 75 HG11 VAL 7 HG11 VAL 7 5.601 0.194 11.386 76 HG12 VAL 7 HG12 VAL 7 4.291 1.373 11.478 77 HG13 VAL 7 HG13 VAL 7 5.333 1.323 10.056 78 HG21 VAL 7 HG21 VAL 7 4.201 -1.537 11.888 79 HG22 VAL 7 HG22 VAL 7 3.020 -2.159 10.748 80 HG23 VAL 7 HG23 VAL 7 2.594 -0.833 11.817 81 H SER 8 HN SER 8 2.798 0.074 6.810 82 HA SER 8 HA SER 8 0.285 -1.403 6.806 83 HB2 SER 8 HB2 SER 8 0.228 -0.092 4.922 84 HB3 SER 8 HB1 SER 8 1.985 -0.160 4.698 85 HG SER 8 HG SER 8 1.782 -2.123 3.742 86 H ARG 9 HN ARG 9 0.021 -3.548 6.751 87 HA ARG 9 HA ARG 9 2.314 -5.210 6.022 88 HB2 ARG 9 HB2 ARG 9 1.358 -6.515 8.397 89 HB3 ARG 9 HB1 ARG 9 2.974 -5.986 8.001 90 HG2 ARG 9 HG2 ARG 9 2.544 -4.986 10.048 91 HG3 ARG 9 HG1 ARG 9 2.294 -3.694 8.877 92 HD2 ARG 9 HD2 ARG 9 -0.108 -3.910 9.072 93 HD3 ARG 9 HD1 ARG 9 0.066 -5.326 10.114 94 HE ARG 9 HE ARG 9 1.432 -3.471 11.473 95 HH11 ARG 9 HH11 ARG 9 -1.793 -3.323 10.068 96 HH12 ARG 9 HH12 ARG 9 -2.386 -2.197 11.241 97 HH21 ARG 9 HH21 ARG 9 0.650 -1.972 12.998 98 HH22 ARG 9 HH22 ARG 9 -0.992 -1.429 12.913 99 H ILE 10 HN ILE 10 1.845 -7.627 5.690 100 HA ILE 10 HA ILE 10 -1.052 -8.011 5.215 101 HB ILE 10 HB ILE 10 1.331 -9.014 3.587 102 HG12 ILE 10 HG12 ILE 10 -1.008 -7.249 2.888 103 HG13 ILE 10 HG11 ILE 10 0.702 -6.909 2.743 104 HG21 ILE 10 HG21 ILE 10 -0.017 -10.452 2.209 105 HG22 ILE 10 HG22 ILE 10 -1.500 -9.979 3.024 106 HG23 ILE 10 HG23 ILE 10 -0.275 -10.921 3.885 107 HD11 ILE 10 HD11 ILE 10 0.770 -8.604 0.866 108 HD12 ILE 10 HD12 ILE 10 -0.121 -7.128 0.545 109 HD13 ILE 10 HD13 ILE 10 -0.987 -8.613 0.914 110 H TYR 11 HN TYR 11 -1.978 -9.935 5.820 111 HA TYR 11 HA TYR 11 -0.410 -11.558 7.733 112 HB2 TYR 11 HB2 TYR 11 -2.612 -10.397 8.361 113 HB3 TYR 11 HB1 TYR 11 -3.426 -11.573 7.338 114 HD1 TYR 11 HD2 TYR 11 -1.619 -11.035 10.485 115 HD2 TYR 11 HD1 TYR 11 -3.670 -13.899 8.091 116 HE1 TYR 11 HE2 TYR 11 -1.769 -12.544 12.424 117 HE2 TYR 11 HE1 TYR 11 -3.836 -15.402 10.032 118 HH TYR 11 HH TYR 11 -3.197 -14.437 13.195 119 H VAL 12 HN VAL 12 0.378 -13.681 6.906 120 HA VAL 12 HA VAL 12 -1.473 -14.980 5.022 121 HB VAL 12 HB VAL 12 1.627 -15.061 4.766 122 HG11 VAL 12 HG11 VAL 12 0.584 -17.202 4.071 123 HG12 VAL 12 HG12 VAL 12 1.391 -16.337 2.770 124 HG13 VAL 12 HG13 VAL 12 -0.355 -16.318 2.866 125 HG21 VAL 12 HG21 VAL 12 0.803 -12.952 3.948 126 HG22 VAL 12 HG22 VAL 12 -0.405 -13.765 2.952 127 HG23 VAL 12 HG23 VAL 12 1.308 -13.971 2.603 128 H GLY 13 HN GLY 13 -2.386 -16.584 6.255 129 HA2 GLY 13 HA2 GLY 13 -0.458 -18.261 7.806 130 HA3 GLY 13 HA1 GLY 13 -2.175 -18.137 8.163 131 H ASN 14 HN ASN 14 -1.505 -20.683 8.045 132 HA ASN 14 HA ASN 14 -1.908 -22.711 7.049 133 HB2 ASN 14 HB2 ASN 14 -4.004 -21.030 5.658 134 HB3 ASN 14 HB1 ASN 14 -3.987 -22.787 5.691 135 HD21 ASN 14 HD21 ASN 14 -4.429 -23.864 7.613 136 HD22 ASN 14 HD22 ASN 14 -5.220 -23.072 8.928 137 H LEU 15 HN LEU 15 0.054 -21.057 5.403 138 HA LEU 15 HA LEU 15 -0.340 -22.012 2.732 139 HB2 LEU 15 HB2 LEU 15 1.492 -20.640 2.087 140 HB3 LEU 15 HB1 LEU 15 0.466 -19.707 3.143 141 HG LEU 15 HG LEU 15 3.121 -20.927 3.970 142 HD11 LEU 15 HD11 LEU 15 4.174 -18.907 3.581 143 HD12 LEU 15 HD12 LEU 15 2.666 -17.999 3.577 144 HD13 LEU 15 HD13 LEU 15 3.083 -19.012 2.199 145 HD21 LEU 15 HD21 LEU 15 1.769 -20.555 5.912 146 HD22 LEU 15 HD22 LEU 15 1.343 -18.934 5.359 147 HD23 LEU 15 HD23 LEU 15 3.007 -19.299 5.822 148 HA PRO 16 HA PRO 16 2.307 -25.534 3.581 149 HB2 PRO 16 HB2 PRO 16 1.872 -26.839 1.230 150 HB3 PRO 16 HB1 PRO 16 0.750 -26.894 2.598 151 HG2 PRO 16 HG2 PRO 16 0.536 -25.448 0.044 152 HG3 PRO 16 HG1 PRO 16 -0.743 -26.038 1.121 153 HD2 PRO 16 HD2 PRO 16 0.165 -23.383 0.895 154 HD3 PRO 16 HD1 PRO 16 -0.899 -24.040 2.155 155 H SER 17 HN SER 17 4.574 -25.420 3.351 156 HA SER 17 HA SER 17 6.632 -24.797 2.570 157 HB2 SER 17 HB2 SER 17 5.696 -26.649 0.366 158 HB3 SER 17 HB1 SER 17 7.373 -26.316 0.803 159 HG SER 17 HG SER 17 7.100 -27.381 2.711 160 H HIS 18 HN HIS 18 5.796 -22.534 2.129 161 HA HIS 18 HA HIS 18 5.596 -22.003 -0.752 162 HB2 HIS 18 HB2 HIS 18 3.662 -21.653 1.026 163 HB3 HIS 18 HB1 HIS 18 4.512 -20.148 1.284 164 HD1 HIS 18 HD1 HIS 18 3.017 -22.064 -1.625 165 HD2 HIS 18 HD2 HIS 18 3.660 -18.161 -0.350 166 HE1 HIS 18 HE1 HIS 18 1.870 -20.602 -3.324 167 HE2 HIS 18 HE2 HIS 18 2.132 -18.257 -2.432 168 H VAL 19 HN VAL 19 5.762 -19.037 0.694 169 HA VAL 19 HA VAL 19 8.460 -18.782 -0.267 170 HB VAL 19 HB VAL 19 8.115 -16.304 0.035 171 HG11 VAL 19 HG11 VAL 19 7.758 -17.328 -2.089 172 HG12 VAL 19 HG12 VAL 19 6.554 -16.071 -1.823 173 HG13 VAL 19 HG13 VAL 19 6.109 -17.767 -1.645 174 HG21 VAL 19 HG21 VAL 19 5.226 -16.999 0.634 175 HG22 VAL 19 HG22 VAL 19 5.926 -15.382 0.509 176 HG23 VAL 19 HG23 VAL 19 6.371 -16.435 1.851 177 H SER 20 HN SER 20 10.314 -18.945 1.082 178 HA SER 20 HA SER 20 10.009 -18.861 3.961 179 HB2 SER 20 HB2 SER 20 12.674 -18.931 2.521 180 HB3 SER 20 HB1 SER 20 12.191 -19.798 3.977 181 HG SER 20 HG SER 20 10.656 -20.520 1.875 182 H SER 21 HN SER 21 11.634 -17.257 5.326 183 HA SER 21 HA SER 21 10.832 -14.733 5.026 184 HB2 SER 21 HB2 SER 21 12.803 -14.076 6.434 185 HB3 SER 21 HB1 SER 21 11.816 -15.397 7.054 186 HG SER 21 HG SER 21 14.319 -15.516 6.879 187 H ARG 22 HN ARG 22 14.006 -15.840 3.754 188 HA ARG 22 HA ARG 22 14.652 -13.295 2.732 189 HB2 ARG 22 HB2 ARG 22 16.572 -14.434 2.860 190 HB3 ARG 22 HB1 ARG 22 15.907 -15.984 2.445 191 HG2 ARG 22 HG2 ARG 22 16.238 -13.938 0.278 192 HG3 ARG 22 HG1 ARG 22 17.671 -14.721 0.931 193 HD2 ARG 22 HD2 ARG 22 15.421 -16.508 0.163 194 HD3 ARG 22 HD1 ARG 22 16.272 -15.691 -1.147 195 HE ARG 22 HE ARG 22 17.265 -17.810 0.523 196 HH11 ARG 22 HH12 ARG 22 18.191 -15.180 -1.620 197 HH12 ARG 22 HH11 ARG 22 19.744 -15.853 -1.987 198 HH21 ARG 22 HH22 ARG 22 19.317 -18.697 0.021 199 HH22 ARG 22 HH21 ARG 22 20.380 -17.851 -1.053 200 H ASP 23 HN ASP 23 13.001 -15.987 0.821 201 HA ASP 23 HA ASP 23 12.807 -14.310 -1.407 202 HB2 ASP 23 HB2 ASP 23 10.920 -15.994 -2.236 203 HB3 ASP 23 HB1 ASP 23 12.597 -16.406 -2.199 204 H VAL 24 HN VAL 24 10.791 -14.209 1.574 205 HA VAL 24 HA VAL 24 8.673 -12.754 0.269 206 HB VAL 24 HB VAL 24 9.179 -12.318 3.188 207 HG11 VAL 24 HG11 VAL 24 7.442 -11.121 2.098 208 HG12 VAL 24 HG12 VAL 24 6.855 -12.197 3.365 209 HG13 VAL 24 HG13 VAL 24 6.660 -12.651 1.677 210 HG21 VAL 24 HG21 VAL 24 9.297 -14.708 3.317 211 HG22 VAL 24 HG22 VAL 24 7.984 -14.896 2.161 212 HG23 VAL 24 HG23 VAL 24 7.665 -14.223 3.752 213 H GLU 25 HN GLU 25 11.694 -12.008 1.945 214 HA GLU 25 HA GLU 25 11.359 -9.249 1.911 215 HB2 GLU 25 HB2 GLU 25 13.304 -9.135 3.059 216 HB3 GLU 25 HB1 GLU 25 12.970 -10.804 3.351 217 HG2 GLU 25 HG2 GLU 25 15.257 -10.880 2.917 218 HG3 GLU 25 HG1 GLU 25 14.699 -11.078 1.254 219 H ASN 26 HN ASN 26 13.618 -11.094 -0.394 220 HA ASN 26 HA ASN 26 13.873 -8.927 -2.020 221 HB2 ASN 26 HB2 ASN 26 14.751 -11.613 -2.111 222 HB3 ASN 26 HB1 ASN 26 14.121 -11.181 -3.699 223 HD21 ASN 26 HD21 ASN 26 15.664 -9.015 -1.333 224 HD22 ASN 26 HD22 ASN 26 17.040 -8.659 -2.328 225 H GLU 27 HN GLU 27 11.590 -11.739 -2.810 226 HA GLU 27 HA GLU 27 10.576 -10.452 -5.046 227 HB2 GLU 27 HB2 GLU 27 10.197 -12.821 -4.710 228 HB3 GLU 27 HB1 GLU 27 9.212 -12.537 -3.324 229 HG2 GLU 27 HG2 GLU 27 7.987 -11.292 -5.649 230 HG3 GLU 27 HG1 GLU 27 8.387 -12.980 -5.934 231 H PHE 28 HN PHE 28 9.434 -9.965 -1.612 232 HA PHE 28 HA PHE 28 7.415 -8.328 -2.813 233 HB2 PHE 28 HB2 PHE 28 7.849 -9.077 0.046 234 HB3 PHE 28 HB1 PHE 28 6.801 -7.731 -0.371 235 HD1 PHE 28 HD1 PHE 28 4.677 -8.103 -1.592 236 HD2 PHE 28 HD2 PHE 28 7.075 -11.445 -0.316 237 HE1 PHE 28 HE1 PHE 28 2.792 -9.620 -1.938 238 HE2 PHE 28 HE2 PHE 28 5.145 -12.910 -0.702 239 HZ PHE 28 HZ PHE 28 3.025 -12.017 -1.492 240 H ARG 29 HN ARG 29 10.689 -7.532 -1.498 241 HA ARG 29 HA ARG 29 10.206 -4.733 -1.333 242 HB2 ARG 29 HB2 ARG 29 12.785 -5.290 -2.779 243 HB3 ARG 29 HB1 ARG 29 12.320 -3.986 -1.717 244 HG2 ARG 29 HG2 ARG 29 13.041 -4.980 0.159 245 HG3 ARG 29 HG1 ARG 29 12.798 -6.643 -0.409 246 HD2 ARG 29 HD2 ARG 29 15.199 -6.088 -0.172 247 HD3 ARG 29 HD1 ARG 29 14.818 -6.351 -1.882 248 HE ARG 29 HE ARG 29 14.474 -3.708 -1.668 249 HH11 ARG 29 HH12 ARG 29 17.079 -5.719 -0.497 250 HH12 ARG 29 HH11 ARG 29 18.263 -4.458 -0.603 251 HH21 ARG 29 HH22 ARG 29 15.987 -2.026 -1.748 252 HH22 ARG 29 HH21 ARG 29 17.638 -2.331 -1.324 253 H LYS 30 HN LYS 30 10.928 -6.843 -4.265 254 HA LYS 30 HA LYS 30 10.777 -4.615 -6.010 255 HB2 LYS 30 HB2 LYS 30 11.109 -6.105 -7.659 256 HB3 LYS 30 HB1 LYS 30 10.851 -7.407 -6.536 257 HG2 LYS 30 HG2 LYS 30 9.553 -7.838 -8.494 258 HG3 LYS 30 HG1 LYS 30 8.406 -7.449 -7.233 259 HD2 LYS 30 HD2 LYS 30 8.731 -4.995 -8.402 260 HD3 LYS 30 HD1 LYS 30 8.994 -6.062 -9.776 261 HE2 LYS 30 HE2 LYS 30 6.612 -6.521 -7.997 262 HE3 LYS 30 HE1 LYS 30 6.576 -5.198 -9.168 263 HZ1 LYS 30 HZ1 LYS 30 7.024 -6.756 -10.948 264 HZ2 LYS 30 HZ2 LYS 30 5.660 -7.251 -10.074 265 HZ3 LYS 30 HZ3 LYS 30 7.132 -8.038 -9.845 266 H TYR 31 HN TYR 31 8.062 -6.385 -4.690 267 HA TYR 31 HA TYR 31 6.232 -5.160 -6.452 268 HB2 TYR 31 HB2 TYR 31 6.138 -7.054 -4.172 269 HB3 TYR 31 HB1 TYR 31 4.632 -6.250 -4.533 270 HD1 TYR 31 HD1 TYR 31 3.722 -6.473 -7.043 271 HD2 TYR 31 HD2 TYR 31 6.747 -9.035 -5.351 272 HE1 TYR 31 HE1 TYR 31 3.317 -8.154 -8.810 273 HE2 TYR 31 HE2 TYR 31 6.306 -10.683 -7.134 274 HH TYR 31 HH TYR 31 4.351 -11.258 -8.669 275 H GLY 32 HN GLY 32 6.774 -4.504 -2.889 276 HA2 GLY 32 HA2 GLY 32 6.736 -1.727 -3.754 277 HA3 GLY 32 HA1 GLY 32 5.671 -2.141 -2.402 278 H ASN 33 HN ASN 33 7.784 -0.304 -1.748 279 HA ASN 33 HA ASN 33 10.217 -1.796 -1.328 280 HB2 ASN 33 HB2 ASN 33 9.454 1.056 -0.807 281 HB3 ASN 33 HB1 ASN 33 10.845 0.388 0.017 282 HD21 ASN 33 HD21 ASN 33 9.544 1.434 -3.027 283 HD22 ASN 33 HD22 ASN 33 11.029 1.346 -3.907 284 H ILE 34 HN ILE 34 10.145 -3.432 0.145 285 HA ILE 34 HA ILE 34 8.513 -3.131 2.419 286 HB ILE 34 HB ILE 34 9.128 -5.277 3.255 287 HG12 ILE 34 HG12 ILE 34 10.659 -6.719 1.626 288 HG13 ILE 34 HG11 ILE 34 11.376 -5.168 1.259 289 HG21 ILE 34 HG21 ILE 34 8.365 -4.967 0.439 290 HG22 ILE 34 HG22 ILE 34 7.453 -5.568 1.823 291 HG23 ILE 34 HG23 ILE 34 8.650 -6.594 1.043 292 HD11 ILE 34 HD11 ILE 34 11.896 -4.960 3.759 293 HD12 ILE 34 HD12 ILE 34 12.777 -6.190 2.865 294 HD13 ILE 34 HD13 ILE 34 11.413 -6.658 3.883 295 H LEU 35 HN LEU 35 8.916 -2.834 4.583 296 HA LEU 35 HA LEU 35 11.609 -1.868 5.205 297 HB2 LEU 35 HB2 LEU 35 8.952 -1.197 6.336 298 HB3 LEU 35 HB1 LEU 35 10.277 -1.258 7.482 299 HG LEU 35 HG LEU 35 11.520 0.411 6.212 300 HD11 LEU 35 HD11 LEU 35 9.188 0.447 4.308 301 HD12 LEU 35 HD12 LEU 35 10.832 -0.078 3.948 302 HD13 LEU 35 HD13 LEU 35 10.510 1.613 4.331 303 HD21 LEU 35 HD21 LEU 35 8.681 1.285 6.713 304 HD22 LEU 35 HD22 LEU 35 10.083 2.338 6.558 305 HD23 LEU 35 HD23 LEU 35 9.979 1.206 7.905 306 H LYS 36 HN LYS 36 9.255 -4.239 6.617 307 HA LYS 36 HA LYS 36 11.537 -5.907 7.254 308 HB2 LYS 36 HB2 LYS 36 10.964 -6.375 9.545 309 HB3 LYS 36 HB1 LYS 36 11.125 -4.653 9.384 310 HG2 LYS 36 HG2 LYS 36 9.054 -4.286 10.073 311 HG3 LYS 36 HG1 LYS 36 8.395 -5.510 8.994 312 HD2 LYS 36 HD2 LYS 36 9.624 -7.076 10.830 313 HD3 LYS 36 HD1 LYS 36 9.161 -5.699 11.822 314 HE2 LYS 36 HE2 LYS 36 7.418 -7.428 11.819 315 HE3 LYS 36 HE1 LYS 36 6.855 -5.916 11.104 316 HZ1 LYS 36 HZ1 LYS 36 6.148 -7.243 9.463 317 HZ2 LYS 36 HZ2 LYS 36 7.161 -8.521 9.899 318 HZ3 LYS 36 HZ3 LYS 36 7.760 -7.257 8.944 319 H CYS 37 HN CYS 37 10.971 -8.233 7.516 320 HA CYS 37 HA CYS 37 8.150 -8.937 6.943 321 HB2 CYS 37 HB2 CYS 37 10.322 -10.522 5.556 322 HB3 CYS 37 HB1 CYS 37 8.642 -10.376 5.130 323 HG CYS 37 HG CYS 37 9.547 -9.163 3.032 324 H ASP 38 HN ASP 38 7.681 -10.007 8.821 325 HA ASP 38 HA ASP 38 9.904 -11.800 9.837 326 HB2 ASP 38 HB2 ASP 38 9.174 -9.736 11.202 327 HB3 ASP 38 HB1 ASP 38 7.749 -10.706 11.642 328 H VAL 39 HN VAL 39 9.345 -13.879 10.709 329 HA VAL 39 HA VAL 39 6.742 -14.794 9.891 330 HB VAL 39 HB VAL 39 7.917 -15.575 7.974 331 HG11 VAL 39 HG11 VAL 39 10.153 -16.707 8.095 332 HG12 VAL 39 HG12 VAL 39 10.256 -16.159 9.764 333 HG13 VAL 39 HG13 VAL 39 10.128 -14.982 8.447 334 HG21 VAL 39 HG21 VAL 39 8.199 -17.936 7.900 335 HG22 VAL 39 HG22 VAL 39 6.886 -17.688 9.040 336 HG23 VAL 39 HG23 VAL 39 8.506 -18.044 9.619 337 H LYS 40 HN LYS 40 5.690 -15.642 11.532 338 HA LYS 40 HA LYS 40 7.193 -16.697 13.854 339 HB2 LYS 40 HB2 LYS 40 4.716 -14.999 13.553 340 HB3 LYS 40 HB1 LYS 40 5.194 -15.703 15.110 341 HG2 LYS 40 HG2 LYS 40 7.475 -14.558 14.627 342 HG3 LYS 40 HG1 LYS 40 6.556 -13.601 13.471 343 HD2 LYS 40 HD2 LYS 40 4.962 -13.016 15.315 344 HD3 LYS 40 HD1 LYS 40 6.037 -13.832 16.447 345 HE2 LYS 40 HE2 LYS 40 6.569 -11.341 14.841 346 HE3 LYS 40 HE1 LYS 40 6.536 -11.530 16.588 347 HZ1 LYS 40 HZ1 LYS 40 8.568 -12.608 14.724 348 HZ2 LYS 40 HZ2 LYS 40 8.492 -12.996 16.373 349 HZ3 LYS 40 HZ3 LYS 40 8.780 -11.405 15.894 350 H LYS 41 HN LYS 41 6.041 -18.703 15.050 351 HA LYS 41 HA LYS 41 4.155 -19.897 13.152 352 HB2 LYS 41 HB2 LYS 41 5.321 -21.933 12.752 353 HB3 LYS 41 HB1 LYS 41 6.666 -20.843 12.855 354 HG2 LYS 41 HG2 LYS 41 5.747 -22.766 15.010 355 HG3 LYS 41 HG1 LYS 41 7.175 -22.895 13.993 356 HD2 LYS 41 HD2 LYS 41 6.640 -20.751 16.034 357 HD3 LYS 41 HD1 LYS 41 7.726 -22.130 16.250 358 HE2 LYS 41 HE2 LYS 41 8.770 -21.095 14.016 359 HE3 LYS 41 HE1 LYS 41 8.063 -19.626 14.699 360 HZ1 LYS 41 HZ1 LYS 41 10.303 -19.797 15.451 361 HZ2 LYS 41 HZ2 LYS 41 10.095 -21.394 15.957 362 HZ3 LYS 41 HZ3 LYS 41 9.308 -20.142 16.778 363 H THR 42 HN THR 42 2.434 -21.327 14.235 364 HA THR 42 HA THR 42 2.595 -21.045 17.119 365 HB THR 42 HB THR 42 0.473 -20.309 15.943 366 HG1 THR 42 HG1 THR 42 -0.750 -21.883 17.603 367 HG21 THR 42 HG21 THR 42 0.261 -23.225 15.327 368 HG22 THR 42 HG22 THR 42 -0.275 -21.855 14.360 369 HG23 THR 42 HG23 THR 42 -1.202 -22.362 15.762 370 H VAL 43 HN VAL 43 1.687 -22.956 18.479 371 HA VAL 43 HA VAL 43 3.237 -25.252 18.008 372 HB VAL 43 HB VAL 43 2.140 -26.233 20.009 373 HG11 VAL 43 HG11 VAL 43 3.157 -23.406 20.234 374 HG12 VAL 43 HG12 VAL 43 4.114 -24.887 20.240 375 HG13 VAL 43 HG13 VAL 43 3.018 -24.541 21.577 376 HG21 VAL 43 HG21 VAL 43 -0.114 -25.288 19.906 377 HG22 VAL 43 HG22 VAL 43 0.534 -23.659 20.103 378 HG23 VAL 43 HG23 VAL 43 0.675 -24.829 21.408 379 H SER 44 HN SER 44 0.471 -24.737 16.230 380 HA SER 44 HA SER 44 -0.569 -27.464 16.569 381 HB2 SER 44 HB2 SER 44 -2.111 -25.531 14.825 382 HB3 SER 44 HB1 SER 44 -2.732 -26.714 15.977 383 HG SER 44 HG SER 44 -3.109 -24.806 16.938 384 H GLY 45 HN GLY 45 1.747 -26.095 14.852 385 HA2 GLY 45 HA2 GLY 45 2.813 -26.790 12.903 386 HA3 GLY 45 HA1 GLY 45 1.439 -27.812 12.537 387 H ALA 46 HN ALA 46 -0.124 -25.001 12.882 388 HA ALA 46 HA ALA 46 0.077 -24.207 10.117 389 HB1 ALA 46 HB1 ALA 46 -1.562 -22.914 12.351 390 HB2 ALA 46 HB2 ALA 46 -2.127 -24.123 11.198 391 HB3 ALA 46 HB3 ALA 46 -1.669 -22.527 10.635 392 H ALA 47 HN ALA 47 1.200 -22.396 9.284 393 HA ALA 47 HA ALA 47 3.008 -21.054 11.184 394 HB1 ALA 47 HB1 ALA 47 4.898 -21.332 9.832 395 HB2 ALA 47 HB2 ALA 47 3.958 -21.710 8.405 396 HB3 ALA 47 HB3 ALA 47 4.091 -22.888 9.713 397 H PHE 48 HN PHE 48 3.502 -18.711 10.763 398 HA PHE 48 HA PHE 48 1.646 -17.636 8.687 399 HB2 PHE 48 HB2 PHE 48 2.396 -16.300 11.326 400 HB3 PHE 48 HB1 PHE 48 1.067 -15.879 10.240 401 HD1 PHE 48 HD2 PHE 48 -0.859 -17.456 10.058 402 HD2 PHE 48 HD1 PHE 48 2.153 -17.837 13.034 403 HE1 PHE 48 HE2 PHE 48 -2.336 -18.882 11.376 404 HE2 PHE 48 HE1 PHE 48 0.700 -19.190 14.347 405 HZ PHE 48 HZ PHE 48 -1.573 -19.772 13.562 406 H ALA 49 HN ALA 49 2.279 -15.638 7.669 407 HA ALA 49 HA ALA 49 4.856 -14.553 8.347 408 HB1 ALA 49 HB1 ALA 49 5.012 -16.180 6.265 409 HB2 ALA 49 HB2 ALA 49 5.973 -14.720 6.349 410 HB3 ALA 49 HB3 ALA 49 4.478 -14.744 5.404 411 H PHE 50 HN PHE 50 5.320 -12.405 7.628 412 HA PHE 50 HA PHE 50 2.858 -10.880 7.911 413 HB2 PHE 50 HB2 PHE 50 3.879 -11.692 10.180 414 HB3 PHE 50 HB1 PHE 50 5.212 -10.575 9.851 415 HD1 PHE 50 HD2 PHE 50 1.524 -10.760 10.287 416 HD2 PHE 50 HD1 PHE 50 5.009 -8.330 10.448 417 HE1 PHE 50 HE2 PHE 50 0.220 -8.974 11.365 418 HE2 PHE 50 HE1 PHE 50 3.720 -6.540 11.529 419 HZ PHE 50 HZ PHE 50 1.320 -6.861 11.991 420 H ILE 51 HN ILE 51 3.088 -9.139 6.473 421 HA ILE 51 HA ILE 51 5.921 -8.698 5.515 422 HB ILE 51 HB ILE 51 3.926 -8.192 3.409 423 HG12 ILE 51 HG12 ILE 51 4.447 -11.119 4.092 424 HG13 ILE 51 HG11 ILE 51 2.941 -10.288 4.477 425 HG21 ILE 51 HG21 ILE 51 6.268 -8.024 3.058 426 HG22 ILE 51 HG22 ILE 51 5.594 -9.299 2.041 427 HG23 ILE 51 HG23 ILE 51 6.492 -9.717 3.501 428 HD11 ILE 51 HD11 ILE 51 3.993 -11.188 1.834 429 HD12 ILE 51 HD12 ILE 51 2.806 -9.893 1.909 430 HD13 ILE 51 HD13 ILE 51 2.426 -11.481 2.564 431 H GLU 52 HN GLU 52 6.495 -6.714 5.998 432 HA GLU 52 HA GLU 52 4.335 -4.731 6.182 433 HB2 GLU 52 HB2 GLU 52 5.086 -5.397 8.350 434 HB3 GLU 52 HB1 GLU 52 6.747 -5.080 7.923 435 HG2 GLU 52 HG2 GLU 52 6.174 -2.671 7.727 436 HG3 GLU 52 HG1 GLU 52 4.549 -3.056 8.310 437 H PHE 53 HN PHE 53 4.479 -3.406 4.421 438 HA PHE 53 HA PHE 53 7.168 -2.510 3.655 439 HB2 PHE 53 HB2 PHE 53 5.764 -2.038 1.344 440 HB3 PHE 53 HB1 PHE 53 6.708 -3.478 1.632 441 HD1 PHE 53 HD2 PHE 53 3.280 -2.271 2.439 442 HD2 PHE 53 HD1 PHE 53 5.698 -5.444 0.964 443 HE1 PHE 53 HE2 PHE 53 1.269 -3.625 2.057 444 HE2 PHE 53 HE1 PHE 53 3.703 -6.806 0.559 445 HZ PHE 53 HZ PHE 53 1.487 -5.887 1.128 446 H GLU 54 HN GLU 54 7.506 -0.315 2.758 447 HA GLU 54 HA GLU 54 5.701 1.642 3.819 448 HB2 GLU 54 HB2 GLU 54 7.019 3.375 3.038 449 HB3 GLU 54 HB1 GLU 54 8.184 2.111 3.305 450 HG2 GLU 54 HG2 GLU 54 8.232 1.683 0.843 451 HG3 GLU 54 HG1 GLU 54 7.114 3.035 0.596 452 H ASP 55 HN ASP 55 5.725 0.076 0.600 453 HA ASP 55 HA ASP 55 3.448 1.867 -0.010 454 HB2 ASP 55 HB2 ASP 55 4.934 0.096 -1.969 455 HB3 ASP 55 HB1 ASP 55 3.720 1.301 -2.383 456 H ALA 56 HN ALA 56 1.618 0.763 0.824 457 HA ALA 56 HA ALA 56 1.186 -1.996 0.442 458 HB1 ALA 56 HB1 ALA 56 -1.110 -0.136 0.781 459 HB2 ALA 56 HB2 ALA 56 0.091 -0.287 2.064 460 HB3 ALA 56 HB3 ALA 56 -0.796 -1.708 1.519 461 H ARG 57 HN ARG 57 0.032 0.734 -1.598 462 HA ARG 57 HA ARG 57 -1.876 -0.912 -2.932 463 HB2 ARG 57 HB2 ARG 57 -2.611 0.825 -4.268 464 HB3 ARG 57 HB1 ARG 57 -2.154 1.627 -2.783 465 HG2 ARG 57 HG2 ARG 57 0.073 2.198 -4.019 466 HG3 ARG 57 HG1 ARG 57 -0.751 1.633 -5.463 467 HD2 ARG 57 HD2 ARG 57 -2.261 3.587 -3.848 468 HD3 ARG 57 HD1 ARG 57 -0.774 4.193 -4.565 469 HE ARG 57 HE ARG 57 -1.650 3.787 -6.710 470 HH11 ARG 57 HH11 ARG 57 -4.055 3.068 -4.224 471 HH12 ARG 57 HH12 ARG 57 -5.383 3.123 -5.332 472 HH21 ARG 57 HH22 ARG 57 -3.395 3.899 -8.130 473 HH22 ARG 57 HH21 ARG 57 -5.005 3.601 -7.566 474 H ASP 58 HN ASP 58 1.498 -0.013 -4.064 475 HA ASP 58 HA ASP 58 1.004 -1.433 -6.479 476 HB2 ASP 58 HB2 ASP 58 3.640 -0.464 -5.326 477 HB3 ASP 58 HB1 ASP 58 3.506 -1.314 -6.868 478 H ALA 59 HN ALA 59 2.456 -2.804 -3.449 479 HA ALA 59 HA ALA 59 3.130 -5.239 -4.412 480 HB1 ALA 59 HB1 ALA 59 2.437 -4.484 -1.598 481 HB2 ALA 59 HB2 ALA 59 4.018 -4.453 -2.388 482 HB3 ALA 59 HB3 ALA 59 3.222 -5.985 -2.080 483 H ALA 60 HN ALA 60 -0.040 -4.136 -3.702 484 HA ALA 60 HA ALA 60 -1.670 -6.254 -3.451 485 HB1 ALA 60 HB1 ALA 60 -2.626 -4.077 -3.411 486 HB2 ALA 60 HB2 ALA 60 -3.393 -4.893 -4.761 487 HB3 ALA 60 HB3 ALA 60 -2.119 -3.711 -5.061 488 H ASP 61 HN ASP 61 -0.205 -5.386 -6.742 489 HA ASP 61 HA ASP 61 -1.198 -7.425 -8.290 490 HB2 ASP 61 HB2 ASP 61 1.737 -6.653 -8.233 491 HB3 ASP 61 HB1 ASP 61 0.956 -7.658 -9.443 492 H ALA 62 HN ALA 62 1.648 -7.913 -6.110 493 HA ALA 62 HA ALA 62 1.612 -10.701 -6.387 494 HB1 ALA 62 HB1 ALA 62 2.803 -9.270 -4.012 495 HB2 ALA 62 HB2 ALA 62 3.622 -9.801 -5.472 496 HB3 ALA 62 HB3 ALA 62 2.948 -10.984 -4.388 497 H ILE 63 HN ILE 63 -0.261 -8.679 -4.018 498 HA ILE 63 HA ILE 63 -0.850 -11.175 -2.724 499 HB ILE 63 HB ILE 63 -1.066 -8.905 -1.529 500 HG12 ILE 63 HG12 ILE 63 -2.541 -11.481 -1.317 501 HG13 ILE 63 HG11 ILE 63 -1.242 -10.862 -0.324 502 HG21 ILE 63 HG21 ILE 63 -3.980 -9.259 -2.148 503 HG22 ILE 63 HG22 ILE 63 -2.995 -8.150 -3.094 504 HG23 ILE 63 HG23 ILE 63 -3.172 -7.911 -1.356 505 HD11 ILE 63 HD11 ILE 63 -3.056 -10.931 1.068 506 HD12 ILE 63 HD12 ILE 63 -4.156 -10.327 -0.163 507 HD13 ILE 63 HD13 ILE 63 -2.998 -9.239 0.585 508 H LYS 64 HN LYS 64 -3.056 -9.344 -5.028 509 HA LYS 64 HA LYS 64 -4.798 -11.426 -5.351 510 HB2 LYS 64 HB2 LYS 64 -5.135 -10.663 -7.713 511 HB3 LYS 64 HB1 LYS 64 -5.212 -9.352 -6.560 512 HG2 LYS 64 HG2 LYS 64 -3.885 -8.306 -8.102 513 HG3 LYS 64 HG1 LYS 64 -2.581 -9.186 -7.280 514 HD2 LYS 64 HD2 LYS 64 -2.480 -10.830 -8.965 515 HD3 LYS 64 HD1 LYS 64 -4.014 -10.326 -9.672 516 HE2 LYS 64 HE2 LYS 64 -1.398 -8.836 -9.706 517 HE3 LYS 64 HE1 LYS 64 -2.159 -9.634 -11.068 518 HZ1 LYS 64 HZ1 LYS 64 -3.993 -8.038 -10.891 519 HZ2 LYS 64 HZ2 LYS 64 -2.511 -7.288 -11.204 520 HZ3 LYS 64 HZ3 LYS 64 -3.173 -7.232 -9.647 521 H GLU 65 HN GLU 65 -1.420 -11.385 -6.536 522 HA GLU 65 HA GLU 65 -1.800 -13.653 -8.261 523 HB2 GLU 65 HB2 GLU 65 -0.065 -12.436 -9.033 524 HB3 GLU 65 HB1 GLU 65 0.271 -11.743 -7.464 525 HG2 GLU 65 HG2 GLU 65 1.477 -13.636 -6.827 526 HG3 GLU 65 HG1 GLU 65 1.009 -14.429 -8.314 527 H LYS 66 HN LYS 66 -0.831 -13.318 -4.867 528 HA LYS 66 HA LYS 66 -0.582 -16.193 -4.711 529 HB2 LYS 66 HB2 LYS 66 -0.299 -14.187 -2.466 530 HB3 LYS 66 HB1 LYS 66 0.127 -15.876 -2.384 531 HG2 LYS 66 HG2 LYS 66 1.602 -13.557 -3.538 532 HG3 LYS 66 HG1 LYS 66 2.163 -14.839 -2.500 533 HD2 LYS 66 HD2 LYS 66 2.454 -16.346 -4.360 534 HD3 LYS 66 HD1 LYS 66 1.613 -15.244 -5.458 535 HE2 LYS 66 HE2 LYS 66 3.395 -13.562 -5.109 536 HE3 LYS 66 HE1 LYS 66 4.241 -14.699 -4.062 537 HZ1 LYS 66 HZ1 LYS 66 5.068 -14.587 -6.379 538 HZ2 LYS 66 HZ2 LYS 66 3.596 -15.235 -6.904 539 HZ3 LYS 66 HZ3 LYS 66 4.611 -16.141 -5.896 540 H ASP 67 HN ASP 67 -3.412 -14.800 -5.121 541 HA ASP 67 HA ASP 67 -4.654 -15.110 -2.523 542 HB2 ASP 67 HB2 ASP 67 -6.474 -13.959 -3.007 543 HB3 ASP 67 HB1 ASP 67 -5.323 -13.155 -4.044 544 H GLY 68 HN GLY 68 -7.124 -16.201 -2.682 545 HA2 GLY 68 HA2 GLY 68 -7.668 -18.595 -3.136 546 HA3 GLY 68 HA1 GLY 68 -5.935 -18.849 -3.080 547 H CYS 69 HN CYS 69 -7.383 -16.681 -0.654 548 HA CYS 69 HA CYS 69 -6.693 -17.821 1.654 549 HB2 CYS 69 HB2 CYS 69 -9.512 -16.748 1.276 550 HB3 CYS 69 HB1 CYS 69 -8.643 -16.889 2.780 551 HG CYS 69 HG CYS 69 -6.734 -15.049 0.999 552 H ASP 70 HN ASP 70 -7.211 -19.407 2.989 553 HA ASP 70 HA ASP 70 -8.033 -21.826 1.908 554 HB2 ASP 70 HB2 ASP 70 -6.715 -21.913 3.943 555 HB3 ASP 70 HB1 ASP 70 -7.925 -21.005 4.854 556 H PHE 71 HN PHE 71 -9.932 -22.082 0.931 557 HA PHE 71 HA PHE 71 -12.394 -22.158 2.371 558 HB2 PHE 71 HB2 PHE 71 -11.756 -19.791 0.855 559 HB3 PHE 71 HB1 PHE 71 -13.140 -20.614 0.145 560 HD1 PHE 71 HD2 PHE 71 -15.018 -21.307 1.761 561 HD2 PHE 71 HD1 PHE 71 -12.061 -18.397 2.688 562 HE1 PHE 71 HE2 PHE 71 -16.481 -20.380 3.503 563 HE2 PHE 71 HE1 PHE 71 -13.517 -17.467 4.437 564 HZ PHE 71 HZ PHE 71 -15.735 -18.454 4.841 565 H GLU 72 HN GLU 72 -13.706 -23.736 1.482 566 HA GLU 72 HA GLU 72 -14.710 -25.118 -0.083 567 HB2 GLU 72 HB2 GLU 72 -13.279 -23.709 -2.376 568 HB3 GLU 72 HB1 GLU 72 -14.772 -24.594 -2.445 569 HG2 GLU 72 HG2 GLU 72 -15.920 -22.660 -1.326 570 HG3 GLU 72 HG1 GLU 72 -14.371 -21.806 -1.351 571 H GLY 73 HN GLY 73 -12.633 -26.375 1.058 572 HA2 GLY 73 HA2 GLY 73 -11.326 -28.242 0.684 573 HA3 GLY 73 HA1 GLY 73 -11.651 -28.080 -1.021 574 H ASN 74 HN ASN 74 -10.273 -25.164 -0.441 575 HA ASN 74 HA ASN 74 -7.564 -26.321 -0.919 576 HB2 ASN 74 HB2 ASN 74 -8.282 -25.288 -3.050 577 HB3 ASN 74 HB1 ASN 74 -8.744 -23.815 -2.204 578 HD21 ASN 74 HD21 ASN 74 -7.188 -22.298 -1.754 579 HD22 ASN 74 HD22 ASN 74 -5.551 -22.426 -2.292 580 H LYS 75 HN LYS 75 -6.134 -25.863 0.658 581 HA LYS 75 HA LYS 75 -6.900 -23.723 2.492 582 HB2 LYS 75 HB2 LYS 75 -5.323 -24.597 4.182 583 HB3 LYS 75 HB1 LYS 75 -6.624 -25.715 3.769 584 HG2 LYS 75 HG2 LYS 75 -3.776 -25.918 2.748 585 HG3 LYS 75 HG1 LYS 75 -4.359 -26.722 4.199 586 HD2 LYS 75 HD2 LYS 75 -4.923 -27.390 1.298 587 HD3 LYS 75 HD1 LYS 75 -4.432 -28.443 2.599 588 HE2 LYS 75 HE2 LYS 75 -7.251 -27.357 2.116 589 HE3 LYS 75 HE1 LYS 75 -6.681 -29.012 1.921 590 HZ1 LYS 75 HZ1 LYS 75 -6.304 -29.153 4.296 591 HZ2 LYS 75 HZ2 LYS 75 -7.909 -28.747 3.963 592 HZ3 LYS 75 HZ3 LYS 75 -6.841 -27.559 4.508 593 H LEU 76 HN LEU 76 -6.086 -21.683 1.892 594 HA LEU 76 HA LEU 76 -3.252 -21.441 2.558 595 HB2 LEU 76 HB2 LEU 76 -4.118 -20.808 -0.269 596 HB3 LEU 76 HB1 LEU 76 -3.024 -19.709 0.525 597 HG LEU 76 HG LEU 76 -1.926 -22.315 0.824 598 HD11 LEU 76 HD11 LEU 76 -1.663 -22.953 -1.518 599 HD12 LEU 76 HD12 LEU 76 -2.764 -21.663 -1.995 600 HD13 LEU 76 HD13 LEU 76 -3.357 -23.015 -1.027 601 HD21 LEU 76 HD21 LEU 76 -0.677 -20.215 0.724 602 HD22 LEU 76 HD22 LEU 76 -1.190 -19.983 -0.946 603 HD23 LEU 76 HD23 LEU 76 -0.127 -21.326 -0.533 604 H ARG 77 HN ARG 77 -3.580 -19.747 4.202 605 HA ARG 77 HA ARG 77 -5.881 -18.047 3.610 606 HB2 ARG 77 HB2 ARG 77 -5.865 -18.889 5.841 607 HB3 ARG 77 HB1 ARG 77 -4.159 -18.589 6.021 608 HG2 ARG 77 HG2 ARG 77 -5.366 -17.087 7.482 609 HG3 ARG 77 HG1 ARG 77 -4.542 -16.175 6.228 610 HD2 ARG 77 HD2 ARG 77 -6.708 -15.965 5.021 611 HD3 ARG 77 HD1 ARG 77 -7.547 -16.706 6.428 612 HE ARG 77 HE ARG 77 -6.284 -14.068 6.339 613 HH11 ARG 77 HH12 ARG 77 -8.048 -16.505 8.144 614 HH12 ARG 77 HH11 ARG 77 -8.545 -15.424 9.398 615 HH21 ARG 77 HH22 ARG 77 -6.954 -12.609 7.990 616 HH22 ARG 77 HH21 ARG 77 -7.913 -13.192 9.309 617 H VAL 78 HN VAL 78 -5.318 -16.230 2.160 618 HA VAL 78 HA VAL 78 -2.813 -14.843 2.907 619 HB VAL 78 HB VAL 78 -3.848 -15.262 0.020 620 HG11 VAL 78 HG11 VAL 78 -1.873 -14.156 -0.709 621 HG12 VAL 78 HG12 VAL 78 -1.235 -14.047 0.930 622 HG13 VAL 78 HG13 VAL 78 -2.657 -13.107 0.474 623 HG21 VAL 78 HG21 VAL 78 -2.831 -17.294 0.340 624 HG22 VAL 78 HG22 VAL 78 -1.821 -16.721 1.652 625 HG23 VAL 78 HG23 VAL 78 -1.388 -16.345 -0.013 626 H GLU 79 HN GLU 79 -3.426 -12.603 3.645 627 HA GLU 79 HA GLU 79 -5.792 -11.451 2.391 628 HB2 GLU 79 HB2 GLU 79 -6.803 -13.001 3.934 629 HB3 GLU 79 HB1 GLU 79 -5.680 -12.534 5.215 630 HG2 GLU 79 HG2 GLU 79 -6.905 -10.673 5.822 631 HG3 GLU 79 HG1 GLU 79 -7.684 -10.524 4.238 632 H VAL 80 HN VAL 80 -5.396 -9.201 2.172 633 HA VAL 80 HA VAL 80 -3.643 -7.835 3.902 634 HB VAL 80 HB VAL 80 -4.638 -5.726 3.014 635 HG11 VAL 80 HG11 VAL 80 -3.740 -5.928 0.863 636 HG12 VAL 80 HG12 VAL 80 -4.203 -7.617 0.736 637 HG13 VAL 80 HG13 VAL 80 -2.880 -7.145 1.804 638 HG21 VAL 80 HG21 VAL 80 -6.949 -6.438 2.735 639 HG22 VAL 80 HG22 VAL 80 -6.460 -7.569 1.472 640 HG23 VAL 80 HG23 VAL 80 -6.287 -5.832 1.214 641 HA PRO 81 HA PRO 81 -6.533 -6.668 7.164 642 HB2 PRO 81 HB2 PRO 81 -4.714 -6.294 9.099 643 HB3 PRO 81 HB1 PRO 81 -5.208 -7.924 8.601 644 HG2 PRO 81 HG2 PRO 81 -2.710 -6.459 8.033 645 HG3 PRO 81 HG1 PRO 81 -2.991 -8.199 8.215 646 HD2 PRO 81 HD2 PRO 81 -2.773 -6.757 5.782 647 HD3 PRO 81 HD1 PRO 81 -3.250 -8.453 5.985 648 H PHE 82 HN PHE 82 -4.836 -4.863 5.124 649 HA PHE 82 HA PHE 82 -5.163 -2.449 6.778 650 HB2 PHE 82 HB2 PHE 82 -3.618 -1.263 5.146 651 HB3 PHE 82 HB1 PHE 82 -2.857 -2.413 6.228 652 HD1 PHE 82 HD2 PHE 82 -4.240 -2.211 2.725 653 HD2 PHE 82 HD1 PHE 82 -1.334 -3.859 5.360 654 HE1 PHE 82 HE2 PHE 82 -3.103 -3.255 0.813 655 HE2 PHE 82 HE1 PHE 82 -0.196 -4.882 3.480 656 HZ PHE 82 HZ PHE 82 -1.068 -4.600 1.190 657 H ASN 83 HN ASN 83 -6.095 -4.052 3.922 658 HA ASN 83 HA ASN 83 -7.417 -3.629 2.139 659 HB2 ASN 83 HB2 ASN 83 -8.794 -1.883 4.197 660 HB3 ASN 83 HB1 ASN 83 -9.446 -2.171 2.589 661 HD21 ASN 83 HD21 ASN 83 -11.257 -3.148 3.475 662 HD22 ASN 83 HD22 ASN 83 -11.225 -4.747 4.130 663 H ALA 84 HN ALA 84 -5.473 -2.590 1.060 664 HA ALA 84 HA ALA 84 -4.668 -1.216 -0.466 665 HB1 ALA 84 HB1 ALA 84 -6.025 0.632 -1.435 666 HB2 ALA 84 HB2 ALA 84 -7.279 0.276 -0.243 667 HB3 ALA 84 HB3 ALA 84 -6.815 -0.936 -1.429 668 H ARG 85 HN ARG 85 -6.091 1.664 0.991 669 HA ARG 85 HA ARG 85 -3.889 2.334 2.694 670 HB2 ARG 85 HB2 ARG 85 -2.837 2.533 0.294 671 HB3 ARG 85 HB1 ARG 85 -3.799 3.983 0.123 672 HG2 ARG 85 HG2 ARG 85 -2.643 4.700 2.332 673 HG3 ARG 85 HG1 ARG 85 -1.452 3.476 1.896 674 HD2 ARG 85 HD2 ARG 85 -1.358 4.626 -0.381 675 HD3 ARG 85 HD1 ARG 85 -2.257 5.938 0.370 676 HE ARG 85 HE ARG 85 0.332 5.065 1.461 677 HH11 ARG 85 HH12 ARG 85 -1.685 7.675 0.186 678 HH12 ARG 85 HH11 ARG 85 -0.521 8.902 0.558 679 HH21 ARG 85 HH22 ARG 85 1.869 6.701 1.865 680 HH22 ARG 85 HH21 ARG 85 1.486 8.354 1.506 681 H GLU 86 HN GLU 86 -6.772 2.332 2.597 682 HA GLU 86 HA GLU 86 -8.706 3.510 2.768 683 HB2 GLU 86 HB2 GLU 86 -6.798 4.551 4.660 684 HB3 GLU 86 HB1 GLU 86 -7.908 5.820 4.162 685 HG2 GLU 86 HG2 GLU 86 -8.758 4.766 6.168 686 HG3 GLU 86 HG1 GLU 86 -9.833 4.352 4.831 Start of MODEL 12 1 H1 GLY -2 HT1 GLY -2 -13.353 -2.741 2.302 2 H2 GLY -2 HT2 GLY -2 -11.720 -2.422 2.608 3 H3 GLY -2 HT3 GLY -2 -12.239 -2.730 1.031 4 HA2 GLY -2 HA1 GLY -2 -13.519 -0.709 0.993 5 HA3 GLY -2 HA2 GLY -2 -13.046 -0.386 2.656 6 H SER -1 HN SER -1 -12.324 1.672 1.479 7 HA SER -1 HA SER -1 -9.466 1.449 1.139 8 HB2 SER -1 HB2 SER -1 -10.469 1.188 -1.177 9 HB3 SER -1 HB1 SER -1 -11.078 2.833 -1.013 10 HG SER -1 HG SER -1 -8.944 2.474 -2.088 11 H HIS 0 HN HIS 0 -8.355 3.369 1.585 12 HA HIS 0 HA HIS 0 -9.912 5.766 2.253 13 HB2 HIS 0 HB2 HIS 0 -7.788 4.578 4.073 14 HB3 HIS 0 HB1 HIS 0 -8.526 6.154 4.287 15 HD1 HIS 0 HD1 HIS 0 -11.373 5.875 4.436 16 HD2 HIS 0 HD2 HIS 0 -8.933 2.737 5.656 17 HE1 HIS 0 HE1 HIS 0 -12.810 4.418 5.888 18 HE2 HIS 0 HE2 HIS 0 -11.252 2.658 6.790 19 H MET 1 HN MET 1 -8.606 7.726 2.214 20 HA MET 1 HA MET 1 -5.913 7.415 1.077 21 HB2 MET 1 HB2 MET 1 -8.047 9.341 0.160 22 HB3 MET 1 HB1 MET 1 -6.346 9.605 -0.171 23 HG2 MET 1 HG2 MET 1 -7.015 8.602 -2.115 24 HG3 MET 1 HG1 MET 1 -6.454 7.211 -1.200 25 HE1 MET 1 HE1 MET 1 -9.831 9.321 -1.103 26 HE2 MET 1 HE2 MET 1 -10.857 8.271 -2.079 27 HE3 MET 1 HE3 MET 1 -9.460 9.060 -2.807 28 H VAL 2 HN VAL 2 -7.282 8.104 3.761 29 HA VAL 2 HA VAL 2 -5.665 10.485 4.367 30 HB VAL 2 HB VAL 2 -7.331 11.017 6.193 31 HG11 VAL 2 HG11 VAL 2 -8.961 12.092 4.702 32 HG12 VAL 2 HG12 VAL 2 -8.380 11.094 3.369 33 HG13 VAL 2 HG13 VAL 2 -7.309 12.281 4.111 34 HG21 VAL 2 HG21 VAL 2 -9.051 9.017 4.719 35 HG22 VAL 2 HG22 VAL 2 -9.615 10.108 5.984 36 HG23 VAL 2 HG23 VAL 2 -8.442 8.847 6.364 37 H ILE 3 HN ILE 3 -5.545 10.552 6.970 38 HA ILE 3 HA ILE 3 -4.712 9.736 8.894 39 HB ILE 3 HB ILE 3 -5.628 7.019 7.908 40 HG12 ILE 3 HG12 ILE 3 -6.954 8.678 10.047 41 HG13 ILE 3 HG11 ILE 3 -7.325 8.938 8.346 42 HG21 ILE 3 HG21 ILE 3 -5.474 6.286 10.248 43 HG22 ILE 3 HG22 ILE 3 -4.770 7.841 10.690 44 HG23 ILE 3 HG23 ILE 3 -3.899 6.753 9.609 45 HD11 ILE 3 HD11 ILE 3 -7.659 6.334 9.823 46 HD12 ILE 3 HD12 ILE 3 -8.080 6.640 8.137 47 HD13 ILE 3 HD13 ILE 3 -8.950 7.469 9.429 48 H ARG 4 HN ARG 4 -2.600 10.167 8.862 49 HA ARG 4 HA ARG 4 -0.865 8.412 7.264 50 HB2 ARG 4 HB2 ARG 4 -0.214 11.219 8.190 51 HB3 ARG 4 HB1 ARG 4 0.764 10.204 7.142 52 HG2 ARG 4 HG2 ARG 4 -0.218 11.336 5.480 53 HG3 ARG 4 HG1 ARG 4 -1.580 10.254 5.776 54 HD2 ARG 4 HD2 ARG 4 -2.111 12.147 7.606 55 HD3 ARG 4 HD1 ARG 4 -1.267 13.130 6.413 56 HE ARG 4 HE ARG 4 -3.779 11.666 6.013 57 HH11 ARG 4 HH11 ARG 4 -1.425 13.968 4.772 58 HH12 ARG 4 HH12 ARG 4 -2.464 14.528 3.506 59 HH21 ARG 4 HH21 ARG 4 -5.149 12.437 4.365 60 HH22 ARG 4 HH22 ARG 4 -4.586 13.657 3.273 61 H GLU 5 HN GLU 5 -0.931 6.895 8.908 62 HA GLU 5 HA GLU 5 1.278 6.964 10.682 63 HB2 GLU 5 HB2 GLU 5 -0.001 6.610 12.815 64 HB3 GLU 5 HB1 GLU 5 -0.126 8.239 12.182 65 HG2 GLU 5 HG2 GLU 5 -2.343 7.619 11.227 66 HG3 GLU 5 HG1 GLU 5 -2.208 6.070 12.068 67 H SER 6 HN SER 6 0.446 4.886 12.430 68 HA SER 6 HA SER 6 0.264 2.647 12.607 69 HB2 SER 6 HB2 SER 6 -1.453 2.829 10.112 70 HB3 SER 6 HB1 SER 6 -1.370 1.445 11.204 71 HG SER 6 HG SER 6 -2.694 3.843 11.476 72 H VAL 7 HN VAL 7 0.204 0.618 10.542 73 HA VAL 7 HA VAL 7 2.436 1.176 8.810 74 HB VAL 7 HB VAL 7 3.562 0.557 10.919 75 HG11 VAL 7 HG11 VAL 7 2.224 -2.122 10.616 76 HG12 VAL 7 HG12 VAL 7 1.951 -0.948 11.905 77 HG13 VAL 7 HG13 VAL 7 3.518 -1.742 11.751 78 HG21 VAL 7 HG21 VAL 7 5.078 -1.125 9.996 79 HG22 VAL 7 HG22 VAL 7 4.668 0.120 8.813 80 HG23 VAL 7 HG23 VAL 7 3.904 -1.468 8.726 81 H SER 8 HN SER 8 2.387 0.037 6.984 82 HA SER 8 HA SER 8 0.140 -1.671 6.425 83 HB2 SER 8 HB2 SER 8 0.547 -0.261 4.651 84 HB3 SER 8 HB1 SER 8 2.273 -0.195 4.959 85 HG SER 8 HG SER 8 2.537 -1.659 3.507 86 H ARG 9 HN ARG 9 0.147 -3.886 6.550 87 HA ARG 9 HA ARG 9 2.676 -5.330 6.347 88 HB2 ARG 9 HB2 ARG 9 2.546 -6.389 8.430 89 HB3 ARG 9 HB1 ARG 9 2.119 -4.724 8.780 90 HG2 ARG 9 HG2 ARG 9 -0.322 -5.836 8.301 91 HG3 ARG 9 HG1 ARG 9 0.546 -7.171 9.054 92 HD2 ARG 9 HD2 ARG 9 -0.378 -6.089 10.870 93 HD3 ARG 9 HD1 ARG 9 1.243 -5.406 10.809 94 HE ARG 9 HE ARG 9 0.331 -3.397 9.904 95 HH11 ARG 9 HH11 ARG 9 -2.130 -5.685 10.982 96 HH12 ARG 9 HH12 ARG 9 -3.374 -4.484 11.085 97 HH21 ARG 9 HH21 ARG 9 -1.336 -1.834 10.023 98 HH22 ARG 9 HH22 ARG 9 -2.927 -2.302 10.542 99 H ILE 10 HN ILE 10 2.426 -7.683 6.085 100 HA ILE 10 HA ILE 10 -0.189 -8.472 4.977 101 HB ILE 10 HB ILE 10 2.602 -9.238 4.124 102 HG12 ILE 10 HG12 ILE 10 0.115 -8.254 2.763 103 HG13 ILE 10 HG11 ILE 10 1.695 -7.502 2.821 104 HG21 ILE 10 HG21 ILE 10 1.543 -11.404 4.494 105 HG22 ILE 10 HG22 ILE 10 1.756 -11.111 2.768 106 HG23 ILE 10 HG23 ILE 10 0.165 -10.921 3.505 107 HD11 ILE 10 HD11 ILE 10 0.835 -9.865 1.169 108 HD12 ILE 10 HD12 ILE 10 2.522 -9.399 1.356 109 HD13 ILE 10 HD13 ILE 10 1.375 -8.283 0.609 110 H TYR 11 HN TYR 11 -1.210 -10.211 5.798 111 HA TYR 11 HA TYR 11 0.225 -11.860 7.783 112 HB2 TYR 11 HB2 TYR 11 -1.885 -10.523 8.459 113 HB3 TYR 11 HB1 TYR 11 -2.777 -11.661 7.464 114 HD1 TYR 11 HD1 TYR 11 -2.624 -14.163 8.093 115 HD2 TYR 11 HD2 TYR 11 -1.383 -11.022 10.681 116 HE1 TYR 11 HE1 TYR 11 -2.799 -15.684 10.017 117 HE2 TYR 11 HE2 TYR 11 -1.551 -12.535 12.611 118 HH TYR 11 HH TYR 11 -1.885 -15.898 12.284 119 H VAL 12 HN VAL 12 0.920 -13.726 6.800 120 HA VAL 12 HA VAL 12 -1.077 -15.076 5.126 121 HB VAL 12 HB VAL 12 0.557 -14.299 3.576 122 HG11 VAL 12 HG11 VAL 12 2.921 -14.857 3.655 123 HG12 VAL 12 HG12 VAL 12 2.685 -15.598 5.239 124 HG13 VAL 12 HG13 VAL 12 2.428 -13.865 5.028 125 HG21 VAL 12 HG21 VAL 12 1.075 -17.213 4.064 126 HG22 VAL 12 HG22 VAL 12 1.382 -16.342 2.562 127 HG23 VAL 12 HG23 VAL 12 -0.269 -16.536 3.151 128 H GLY 13 HN GLY 13 -1.854 -16.779 6.103 129 HA2 GLY 13 HA2 GLY 13 -0.060 -18.362 7.854 130 HA3 GLY 13 HA1 GLY 13 -1.753 -18.076 8.224 131 H ASN 14 HN ASN 14 -0.499 -20.625 8.028 132 HA ASN 14 HA ASN 14 -0.960 -22.738 7.308 133 HB2 ASN 14 HB2 ASN 14 -3.374 -21.486 5.979 134 HB3 ASN 14 HB1 ASN 14 -3.134 -23.204 6.263 135 HD21 ASN 14 HD21 ASN 14 -3.330 -24.004 8.382 136 HD22 ASN 14 HD22 ASN 14 -4.125 -23.093 9.616 137 H LEU 15 HN LEU 15 0.736 -21.066 5.691 138 HA LEU 15 HA LEU 15 0.024 -21.532 2.943 139 HB2 LEU 15 HB2 LEU 15 1.865 -20.132 2.334 140 HB3 LEU 15 HB1 LEU 15 0.977 -19.363 3.623 141 HG LEU 15 HG LEU 15 3.504 -20.893 4.224 142 HD11 LEU 15 HD11 LEU 15 4.120 -19.373 2.455 143 HD12 LEU 15 HD12 LEU 15 4.722 -18.749 3.992 144 HD13 LEU 15 HD13 LEU 15 3.283 -18.044 3.257 145 HD21 LEU 15 HD21 LEU 15 3.664 -19.154 6.016 146 HD22 LEU 15 HD22 LEU 15 2.278 -20.231 6.171 147 HD23 LEU 15 HD23 LEU 15 2.057 -18.598 5.548 148 HA PRO 16 HA PRO 16 2.478 -25.231 2.445 149 HB2 PRO 16 HB2 PRO 16 2.654 -25.146 -0.297 150 HB3 PRO 16 HB1 PRO 16 1.240 -25.757 0.575 151 HG2 PRO 16 HG2 PRO 16 1.651 -23.137 -0.751 152 HG3 PRO 16 HG1 PRO 16 0.184 -24.128 -0.630 153 HD2 PRO 16 HD2 PRO 16 0.639 -21.911 0.889 154 HD3 PRO 16 HD1 PRO 16 -0.379 -23.267 1.417 155 H SER 17 HN SER 17 4.580 -25.463 2.657 156 HA SER 17 HA SER 17 6.752 -24.950 2.966 157 HB2 SER 17 HB2 SER 17 6.778 -25.650 0.578 158 HB3 SER 17 HB1 SER 17 6.645 -23.956 0.114 159 HG SER 17 HG SER 17 8.657 -23.569 0.833 160 H HIS 18 HN HIS 18 6.740 -23.434 4.545 161 HA HIS 18 HA HIS 18 6.030 -20.737 4.240 162 HB2 HIS 18 HB2 HIS 18 7.188 -20.347 6.422 163 HB3 HIS 18 HB1 HIS 18 6.037 -21.668 6.467 164 HD1 HIS 18 HD1 HIS 18 6.977 -24.046 6.863 165 HD2 HIS 18 HD2 HIS 18 9.859 -21.045 6.858 166 HE1 HIS 18 HE1 HIS 18 9.058 -25.110 7.782 167 HE2 HIS 18 HE2 HIS 18 10.818 -23.314 7.652 168 H VAL 19 HN VAL 19 7.024 -18.958 3.648 169 HA VAL 19 HA VAL 19 9.382 -19.227 2.078 170 HB VAL 19 HB VAL 19 9.122 -16.643 1.862 171 HG11 VAL 19 HG11 VAL 19 8.550 -18.217 0.098 172 HG12 VAL 19 HG12 VAL 19 7.328 -16.948 0.194 173 HG13 VAL 19 HG13 VAL 19 6.994 -18.545 0.863 174 HG21 VAL 19 HG21 VAL 19 6.897 -15.777 2.310 175 HG22 VAL 19 HG22 VAL 19 7.619 -16.360 3.811 176 HG23 VAL 19 HG23 VAL 19 6.397 -17.325 2.985 177 H SER 20 HN SER 20 11.403 -18.693 2.450 178 HA SER 20 HA SER 20 12.222 -18.173 5.169 179 HB2 SER 20 HB2 SER 20 14.510 -18.198 3.597 180 HB3 SER 20 HB1 SER 20 13.837 -19.587 4.451 181 HG SER 20 HG SER 20 13.742 -18.919 1.730 182 H SER 21 HN SER 21 13.932 -16.514 5.617 183 HA SER 21 HA SER 21 12.679 -14.056 5.301 184 HB2 SER 21 HB2 SER 21 14.750 -13.171 6.486 185 HB3 SER 21 HB1 SER 21 13.842 -14.446 7.302 186 HG SER 21 HG SER 21 16.371 -14.497 6.813 187 H ARG 22 HN ARG 22 15.463 -15.316 3.531 188 HA ARG 22 HA ARG 22 16.275 -12.876 2.299 189 HB2 ARG 22 HB2 ARG 22 17.777 -14.812 2.392 190 HB3 ARG 22 HB1 ARG 22 16.650 -15.769 1.451 191 HG2 ARG 22 HG2 ARG 22 17.584 -13.295 0.152 192 HG3 ARG 22 HG1 ARG 22 18.818 -14.523 0.429 193 HD2 ARG 22 HD2 ARG 22 16.201 -15.267 -0.823 194 HD3 ARG 22 HD1 ARG 22 17.460 -14.515 -1.798 195 HE ARG 22 HE ARG 22 17.700 -17.103 -0.406 196 HH11 ARG 22 HH12 ARG 22 18.683 -14.911 -2.982 197 HH12 ARG 22 HH11 ARG 22 19.712 -16.066 -3.742 198 HH21 ARG 22 HH22 ARG 22 19.089 -18.611 -1.403 199 HH22 ARG 22 HH21 ARG 22 19.944 -18.180 -2.843 200 H ASP 23 HN ASP 23 14.227 -15.535 1.306 201 HA ASP 23 HA ASP 23 13.535 -14.605 -1.272 202 HB2 ASP 23 HB2 ASP 23 12.071 -16.575 0.523 203 HB3 ASP 23 HB1 ASP 23 11.815 -16.372 -1.211 204 H VAL 24 HN VAL 24 11.934 -14.423 1.890 205 HA VAL 24 HA VAL 24 9.719 -12.897 1.153 206 HB VAL 24 HB VAL 24 11.219 -12.687 3.771 207 HG11 VAL 24 HG11 VAL 24 9.719 -10.821 3.476 208 HG12 VAL 24 HG12 VAL 24 9.047 -11.927 4.677 209 HG13 VAL 24 HG13 VAL 24 8.405 -11.911 3.035 210 HG21 VAL 24 HG21 VAL 24 8.853 -14.409 3.054 211 HG22 VAL 24 HG22 VAL 24 9.551 -14.233 4.663 212 HG23 VAL 24 HG23 VAL 24 10.494 -14.981 3.373 213 H GLU 25 HN GLU 25 13.015 -11.910 2.065 214 HA GLU 25 HA GLU 25 12.517 -9.171 2.166 215 HB2 GLU 25 HB2 GLU 25 14.596 -10.481 2.945 216 HB3 GLU 25 HB1 GLU 25 15.164 -10.288 1.294 217 HG2 GLU 25 HG2 GLU 25 14.276 -7.761 2.260 218 HG3 GLU 25 HG1 GLU 25 15.378 -8.464 3.437 219 H ASN 26 HN ASN 26 13.872 -11.042 -0.654 220 HA ASN 26 HA ASN 26 13.703 -8.622 -2.212 221 HB2 ASN 26 HB2 ASN 26 14.856 -11.281 -2.641 222 HB3 ASN 26 HB1 ASN 26 14.258 -10.477 -4.095 223 HD21 ASN 26 HD21 ASN 26 16.486 -10.216 -1.393 224 HD22 ASN 26 HD22 ASN 26 17.499 -9.014 -2.109 225 H GLU 27 HN GLU 27 11.935 -11.719 -2.319 226 HA GLU 27 HA GLU 27 10.490 -10.979 -4.656 227 HB2 GLU 27 HB2 GLU 27 10.895 -13.357 -3.876 228 HB3 GLU 27 HB1 GLU 27 9.655 -13.084 -2.660 229 HG2 GLU 27 HG2 GLU 27 8.726 -14.262 -4.551 230 HG3 GLU 27 HG1 GLU 27 8.015 -12.654 -4.429 231 H PHE 28 HN PHE 28 9.808 -10.772 -1.164 232 HA PHE 28 HA PHE 28 7.304 -9.475 -1.787 233 HB2 PHE 28 HB2 PHE 28 8.540 -10.221 0.839 234 HB3 PHE 28 HB1 PHE 28 7.181 -9.118 0.751 235 HD1 PHE 28 HD2 PHE 28 8.267 -12.545 -0.111 236 HD2 PHE 28 HD1 PHE 28 4.992 -9.902 0.434 237 HE1 PHE 28 HE2 PHE 28 6.732 -14.454 -0.143 238 HE2 PHE 28 HE1 PHE 28 3.440 -11.797 0.395 239 HZ PHE 28 HZ PHE 28 4.312 -14.083 0.107 240 H ARG 29 HN ARG 29 10.611 -8.264 -1.196 241 HA ARG 29 HA ARG 29 9.772 -5.568 -0.793 242 HB2 ARG 29 HB2 ARG 29 11.908 -4.776 -1.250 243 HB3 ARG 29 HB1 ARG 29 12.240 -6.401 -0.689 244 HG2 ARG 29 HG2 ARG 29 13.623 -6.435 -2.463 245 HG3 ARG 29 HG1 ARG 29 12.154 -6.827 -3.358 246 HD2 ARG 29 HD2 ARG 29 11.856 -4.356 -3.755 247 HD3 ARG 29 HD1 ARG 29 13.466 -4.128 -3.074 248 HE ARG 29 HE ARG 29 13.648 -6.062 -5.067 249 HH11 ARG 29 HH12 ARG 29 12.942 -2.632 -4.808 250 HH12 ARG 29 HH11 ARG 29 13.532 -2.261 -6.394 251 HH21 ARG 29 HH22 ARG 29 14.420 -5.584 -7.139 252 HH22 ARG 29 HH21 ARG 29 14.379 -3.958 -7.726 253 H LYS 30 HN LYS 30 9.849 -7.558 -3.714 254 HA LYS 30 HA LYS 30 9.250 -5.578 -5.606 255 HB2 LYS 30 HB2 LYS 30 9.147 -7.407 -6.875 256 HB3 LYS 30 HB1 LYS 30 9.075 -8.422 -5.454 257 HG2 LYS 30 HG2 LYS 30 7.250 -9.120 -6.722 258 HG3 LYS 30 HG1 LYS 30 6.518 -8.015 -5.569 259 HD2 LYS 30 HD2 LYS 30 6.632 -6.225 -7.299 260 HD3 LYS 30 HD1 LYS 30 7.185 -7.446 -8.449 261 HE2 LYS 30 HE2 LYS 30 4.808 -8.314 -7.053 262 HE3 LYS 30 HE1 LYS 30 4.557 -6.759 -7.839 263 HZ1 LYS 30 HZ1 LYS 30 5.278 -7.701 -9.913 264 HZ2 LYS 30 HZ2 LYS 30 4.005 -8.617 -9.282 265 HZ3 LYS 30 HZ3 LYS 30 5.593 -9.191 -9.178 266 H TYR 31 HN TYR 31 7.225 -6.677 -2.990 267 HA TYR 31 HA TYR 31 4.714 -5.759 -4.052 268 HB2 TYR 31 HB2 TYR 31 5.494 -6.604 -1.252 269 HB3 TYR 31 HB1 TYR 31 3.864 -6.192 -1.732 270 HD1 TYR 31 HD1 TYR 31 6.349 -8.315 -3.542 271 HD2 TYR 31 HD2 TYR 31 2.668 -8.190 -1.411 272 HE1 TYR 31 HE1 TYR 31 5.985 -10.668 -4.069 273 HE2 TYR 31 HE2 TYR 31 2.286 -10.570 -1.957 274 HH TYR 31 HH TYR 31 4.832 -12.491 -3.422 275 H GLY 32 HN GLY 32 7.305 -4.214 -2.350 276 HA2 GLY 32 HA2 GLY 32 6.852 -1.712 -2.879 277 HA3 GLY 32 HA1 GLY 32 5.529 -1.954 -1.749 278 H ASN 33 HN ASN 33 8.950 -2.857 -1.839 279 HA ASN 33 HA ASN 33 10.712 -2.566 -0.492 280 HB2 ASN 33 HB2 ASN 33 10.039 -0.139 -1.133 281 HB3 ASN 33 HB1 ASN 33 9.605 -0.006 0.571 282 HD21 ASN 33 HD21 ASN 33 12.154 -0.265 -1.717 283 HD22 ASN 33 HD22 ASN 33 13.458 0.016 -0.617 284 H ILE 34 HN ILE 34 10.737 -4.070 0.970 285 HA ILE 34 HA ILE 34 8.982 -4.123 3.235 286 HB ILE 34 HB ILE 34 9.448 -6.203 2.171 287 HG12 ILE 34 HG12 ILE 34 9.580 -5.996 4.851 288 HG13 ILE 34 HG11 ILE 34 9.677 -7.536 4.009 289 HG21 ILE 34 HG21 ILE 34 11.671 -7.191 1.961 290 HG22 ILE 34 HG22 ILE 34 12.377 -5.722 2.629 291 HG23 ILE 34 HG23 ILE 34 11.521 -5.672 1.092 292 HD11 ILE 34 HD11 ILE 34 12.119 -7.491 4.201 293 HD12 ILE 34 HD12 ILE 34 11.348 -7.359 5.783 294 HD13 ILE 34 HD13 ILE 34 12.028 -5.927 5.013 295 H LEU 35 HN LEU 35 9.286 -3.200 5.091 296 HA LEU 35 HA LEU 35 11.886 -2.157 5.838 297 HB2 LEU 35 HB2 LEU 35 9.276 -1.980 7.364 298 HB3 LEU 35 HB1 LEU 35 10.750 -1.136 7.761 299 HG LEU 35 HG LEU 35 9.521 0.552 6.831 300 HD11 LEU 35 HD11 LEU 35 10.247 1.046 4.558 301 HD12 LEU 35 HD12 LEU 35 10.839 -0.606 4.393 302 HD13 LEU 35 HD13 LEU 35 11.574 0.479 5.572 303 HD21 LEU 35 HD21 LEU 35 7.572 -0.754 6.286 304 HD22 LEU 35 HD22 LEU 35 8.364 -1.375 4.839 305 HD23 LEU 35 HD23 LEU 35 7.971 0.340 4.962 306 H LYS 36 HN LYS 36 9.511 -4.529 6.960 307 HA LYS 36 HA LYS 36 11.579 -5.880 8.514 308 HB2 LYS 36 HB2 LYS 36 10.509 -4.379 10.127 309 HB3 LYS 36 HB1 LYS 36 8.923 -4.984 9.668 310 HG2 LYS 36 HG2 LYS 36 9.619 -7.232 10.474 311 HG3 LYS 36 HG1 LYS 36 11.105 -6.498 11.079 312 HD2 LYS 36 HD2 LYS 36 9.993 -5.280 12.705 313 HD3 LYS 36 HD1 LYS 36 8.448 -5.369 11.855 314 HE2 LYS 36 HE2 LYS 36 8.393 -6.791 13.801 315 HE3 LYS 36 HE1 LYS 36 8.337 -7.772 12.344 316 HZ1 LYS 36 HZ1 LYS 36 10.675 -7.335 14.112 317 HZ2 LYS 36 HZ2 LYS 36 10.754 -8.132 12.625 318 HZ3 LYS 36 HZ3 LYS 36 9.826 -8.784 13.880 319 H CYS 37 HN CYS 37 11.384 -8.079 8.456 320 HA CYS 37 HA CYS 37 8.790 -9.246 7.718 321 HB2 CYS 37 HB2 CYS 37 10.099 -11.065 6.536 322 HB3 CYS 37 HB1 CYS 37 10.132 -9.490 5.753 323 HG CYS 37 HG CYS 37 12.687 -9.102 5.829 324 H ASP 38 HN ASP 38 8.042 -10.574 9.255 325 HA ASP 38 HA ASP 38 9.987 -12.040 10.889 326 HB2 ASP 38 HB2 ASP 38 8.735 -9.970 11.974 327 HB3 ASP 38 HB1 ASP 38 7.430 -11.142 12.144 328 H VAL 39 HN VAL 39 9.610 -14.191 10.972 329 HA VAL 39 HA VAL 39 7.007 -15.151 9.972 330 HB VAL 39 HB VAL 39 9.663 -16.626 9.898 331 HG11 VAL 39 HG11 VAL 39 6.997 -17.355 8.675 332 HG12 VAL 39 HG12 VAL 39 7.779 -18.166 10.031 333 HG13 VAL 39 HG13 VAL 39 8.511 -18.226 8.429 334 HG21 VAL 39 HG21 VAL 39 8.143 -15.277 7.659 335 HG22 VAL 39 HG22 VAL 39 9.585 -16.271 7.461 336 HG23 VAL 39 HG23 VAL 39 9.677 -14.749 8.346 337 H LYS 40 HN LYS 40 5.715 -15.994 11.461 338 HA LYS 40 HA LYS 40 6.856 -16.997 13.992 339 HB2 LYS 40 HB2 LYS 40 4.054 -15.990 13.434 340 HB3 LYS 40 HB1 LYS 40 4.643 -16.546 14.989 341 HG2 LYS 40 HG2 LYS 40 5.549 -14.085 13.502 342 HG3 LYS 40 HG1 LYS 40 4.522 -14.135 14.935 343 HD2 LYS 40 HD2 LYS 40 6.451 -15.256 16.125 344 HD3 LYS 40 HD1 LYS 40 7.438 -14.861 14.717 345 HE2 LYS 40 HE2 LYS 40 6.646 -12.454 15.060 346 HE3 LYS 40 HE1 LYS 40 6.100 -12.990 16.648 347 HZ1 LYS 40 HZ1 LYS 40 8.873 -13.064 15.595 348 HZ2 LYS 40 HZ2 LYS 40 8.400 -13.750 17.071 349 HZ3 LYS 40 HZ3 LYS 40 8.282 -12.080 16.842 350 H LYS 41 HN LYS 41 5.848 -18.891 14.967 351 HA LYS 41 HA LYS 41 4.092 -20.405 13.184 352 HB2 LYS 41 HB2 LYS 41 5.240 -22.426 13.379 353 HB3 LYS 41 HB1 LYS 41 6.529 -21.259 13.186 354 HG2 LYS 41 HG2 LYS 41 5.675 -22.447 15.831 355 HG3 LYS 41 HG1 LYS 41 6.999 -23.050 14.847 356 HD2 LYS 41 HD2 LYS 41 6.871 -20.269 16.029 357 HD3 LYS 41 HD1 LYS 41 7.717 -21.629 16.765 358 HE2 LYS 41 HE2 LYS 41 9.091 -21.803 14.692 359 HE3 LYS 41 HE1 LYS 41 8.309 -20.335 14.108 360 HZ1 LYS 41 HZ1 LYS 41 10.411 -19.806 15.107 361 HZ2 LYS 41 HZ2 LYS 41 9.988 -20.585 16.544 362 HZ3 LYS 41 HZ3 LYS 41 9.177 -19.177 16.075 363 H THR 42 HN THR 42 2.480 -21.653 14.179 364 HA THR 42 HA THR 42 2.212 -21.216 17.071 365 HB THR 42 HB THR 42 0.254 -20.528 15.706 366 HG1 THR 42 HG1 THR 42 -1.222 -22.251 16.869 367 HG21 THR 42 HG21 THR 42 0.004 -23.451 15.040 368 HG22 THR 42 HG22 THR 42 0.405 -22.159 13.906 369 HG23 THR 42 HG23 THR 42 -1.186 -22.205 14.671 370 H VAL 43 HN VAL 43 1.297 -23.082 18.313 371 HA VAL 43 HA VAL 43 2.941 -25.410 17.998 372 HB VAL 43 HB VAL 43 0.657 -25.016 19.966 373 HG11 VAL 43 HG11 VAL 43 3.141 -26.715 20.148 374 HG12 VAL 43 HG12 VAL 43 1.502 -27.304 19.875 375 HG13 VAL 43 HG13 VAL 43 1.923 -26.534 21.406 376 HG21 VAL 43 HG21 VAL 43 2.346 -24.158 21.541 377 HG22 VAL 43 HG22 VAL 43 2.145 -23.106 20.141 378 HG23 VAL 43 HG23 VAL 43 3.542 -24.176 20.246 379 H SER 44 HN SER 44 -0.124 -24.497 16.838 380 HA SER 44 HA SER 44 -1.368 -27.064 16.662 381 HB2 SER 44 HB2 SER 44 -2.032 -24.670 14.947 382 HB3 SER 44 HB1 SER 44 -3.111 -25.947 15.504 383 HG SER 44 HG SER 44 -3.375 -24.924 17.333 384 H GLY 45 HN GLY 45 1.153 -25.628 14.893 385 HA2 GLY 45 HA2 GLY 45 2.411 -26.989 13.379 386 HA3 GLY 45 HA1 GLY 45 0.917 -27.744 12.867 387 H ALA 46 HN ALA 46 0.135 -24.606 12.989 388 HA ALA 46 HA ALA 46 0.557 -24.241 10.135 389 HB1 ALA 46 HB1 ALA 46 -1.013 -22.536 12.064 390 HB2 ALA 46 HB2 ALA 46 -1.673 -23.825 11.057 391 HB3 ALA 46 HB3 ALA 46 -0.997 -22.377 10.311 392 H ALA 47 HN ALA 47 1.740 -22.671 9.203 393 HA ALA 47 HA ALA 47 3.472 -21.071 10.935 394 HB1 ALA 47 HB1 ALA 47 4.977 -20.898 9.016 395 HB2 ALA 47 HB2 ALA 47 3.839 -21.827 8.041 396 HB3 ALA 47 HB3 ALA 47 4.646 -22.584 9.414 397 H PHE 48 HN PHE 48 3.758 -18.851 10.500 398 HA PHE 48 HA PHE 48 1.915 -17.618 8.566 399 HB2 PHE 48 HB2 PHE 48 2.365 -16.202 11.169 400 HB3 PHE 48 HB1 PHE 48 1.025 -16.056 10.049 401 HD1 PHE 48 HD1 PHE 48 -0.765 -17.823 10.060 402 HD2 PHE 48 HD2 PHE 48 2.271 -17.597 13.025 403 HE1 PHE 48 HE1 PHE 48 -2.134 -19.210 11.558 404 HE2 PHE 48 HE2 PHE 48 0.918 -18.982 14.523 405 HZ PHE 48 HZ PHE 48 -1.290 -19.796 13.798 406 H ALA 49 HN ALA 49 2.687 -15.659 7.708 407 HA ALA 49 HA ALA 49 5.197 -14.672 8.821 408 HB1 ALA 49 HB1 ALA 49 5.657 -15.755 6.662 409 HB2 ALA 49 HB2 ALA 49 5.982 -14.023 6.624 410 HB3 ALA 49 HB3 ALA 49 4.516 -14.659 5.881 411 H PHE 50 HN PHE 50 5.394 -12.568 9.056 412 HA PHE 50 HA PHE 50 3.023 -10.855 8.644 413 HB2 PHE 50 HB2 PHE 50 3.856 -11.788 11.006 414 HB3 PHE 50 HB1 PHE 50 5.034 -10.499 10.852 415 HD1 PHE 50 HD1 PHE 50 1.366 -11.102 10.741 416 HD2 PHE 50 HD2 PHE 50 4.538 -8.436 11.691 417 HE1 PHE 50 HE1 PHE 50 -0.239 -9.581 11.819 418 HE2 PHE 50 HE2 PHE 50 2.941 -6.905 12.757 419 HZ PHE 50 HZ PHE 50 0.549 -7.482 12.828 420 H ILE 51 HN ILE 51 3.564 -9.190 7.211 421 HA ILE 51 HA ILE 51 6.456 -8.591 6.960 422 HB ILE 51 HB ILE 51 5.016 -8.749 4.374 423 HG12 ILE 51 HG12 ILE 51 6.005 -11.272 5.750 424 HG13 ILE 51 HG11 ILE 51 4.306 -10.848 5.618 425 HG21 ILE 51 HG21 ILE 51 7.355 -8.050 4.606 426 HG22 ILE 51 HG22 ILE 51 7.217 -9.522 3.646 427 HG23 ILE 51 HG23 ILE 51 7.752 -9.611 5.324 428 HD11 ILE 51 HD11 ILE 51 6.188 -11.449 3.357 429 HD12 ILE 51 HD12 ILE 51 4.512 -10.936 3.169 430 HD13 ILE 51 HD13 ILE 51 4.883 -12.471 3.956 431 H GLU 52 HN GLU 52 6.769 -6.502 7.189 432 HA GLU 52 HA GLU 52 4.617 -4.616 6.709 433 HB2 GLU 52 HB2 GLU 52 7.247 -4.425 8.161 434 HB3 GLU 52 HB1 GLU 52 6.295 -2.996 7.813 435 HG2 GLU 52 HG2 GLU 52 5.791 -3.614 10.029 436 HG3 GLU 52 HG1 GLU 52 4.399 -4.073 9.057 437 H PHE 53 HN PHE 53 4.405 -3.633 4.826 438 HA PHE 53 HA PHE 53 6.823 -2.852 3.295 439 HB2 PHE 53 HB2 PHE 53 4.015 -3.077 2.181 440 HB3 PHE 53 HB1 PHE 53 5.502 -2.825 1.272 441 HD1 PHE 53 HD1 PHE 53 7.324 -4.757 2.251 442 HD2 PHE 53 HD2 PHE 53 3.139 -5.086 1.668 443 HE1 PHE 53 HE1 PHE 53 7.549 -7.193 2.073 444 HE2 PHE 53 HE2 PHE 53 3.353 -7.509 1.482 445 HZ PHE 53 HZ PHE 53 5.550 -8.564 1.713 446 H GLU 54 HN GLU 54 6.702 -0.751 2.131 447 HA GLU 54 HA GLU 54 5.390 1.250 3.749 448 HB2 GLU 54 HB2 GLU 54 6.560 2.922 2.459 449 HB3 GLU 54 HB1 GLU 54 7.676 1.672 2.973 450 HG2 GLU 54 HG2 GLU 54 7.638 0.708 0.728 451 HG3 GLU 54 HG1 GLU 54 6.498 1.944 0.214 452 H ASP 55 HN ASP 55 4.799 -0.285 0.650 453 HA ASP 55 HA ASP 55 2.569 1.594 0.237 454 HB2 ASP 55 HB2 ASP 55 4.617 0.648 -1.639 455 HB3 ASP 55 HB1 ASP 55 2.968 0.557 -2.261 456 H ALA 56 HN ALA 56 0.670 0.860 0.282 457 HA ALA 56 HA ALA 56 0.063 -1.914 0.544 458 HB1 ALA 56 HB1 ALA 56 -1.745 0.476 0.311 459 HB2 ALA 56 HB2 ALA 56 -1.125 -0.216 1.810 460 HB3 ALA 56 HB3 ALA 56 -2.237 -1.142 0.799 461 H ARG 57 HN ARG 57 -0.506 0.515 -1.988 462 HA ARG 57 HA ARG 57 -2.338 -1.199 -3.371 463 HB2 ARG 57 HB2 ARG 57 -2.879 0.566 -4.760 464 HB3 ARG 57 HB1 ARG 57 -2.503 1.335 -3.240 465 HG2 ARG 57 HG2 ARG 57 -0.640 1.213 -5.605 466 HG3 ARG 57 HG1 ARG 57 -1.706 2.565 -5.232 467 HD2 ARG 57 HD2 ARG 57 -0.488 2.545 -2.936 468 HD3 ARG 57 HD1 ARG 57 0.745 1.627 -3.799 469 HE ARG 57 HE ARG 57 0.066 4.418 -4.158 470 HH11 ARG 57 HH11 ARG 57 1.896 1.673 -5.402 471 HH12 ARG 57 HH12 ARG 57 2.963 2.665 -6.336 472 HH21 ARG 57 HH21 ARG 57 1.458 5.693 -5.393 473 HH22 ARG 57 HH22 ARG 57 2.713 4.955 -6.328 474 H ASP 58 HN ASP 58 1.047 -0.632 -3.625 475 HA ASP 58 HA ASP 58 1.405 -1.678 -6.271 476 HB2 ASP 58 HB2 ASP 58 3.004 -0.198 -4.879 477 HB3 ASP 58 HB1 ASP 58 3.490 -1.692 -4.085 478 H ALA 59 HN ALA 59 1.303 -2.950 -3.043 479 HA ALA 59 HA ALA 59 2.204 -5.588 -3.587 480 HB1 ALA 59 HB1 ALA 59 0.588 -4.531 -1.292 481 HB2 ALA 59 HB2 ALA 59 2.349 -4.551 -1.380 482 HB3 ALA 59 HB3 ALA 59 1.446 -6.069 -1.332 483 H ALA 60 HN ALA 60 -0.864 -3.991 -3.757 484 HA ALA 60 HA ALA 60 -2.687 -6.011 -3.253 485 HB1 ALA 60 HB1 ALA 60 -3.277 -3.635 -3.430 486 HB2 ALA 60 HB2 ALA 60 -4.320 -4.637 -4.438 487 HB3 ALA 60 HB3 ALA 60 -3.020 -3.704 -5.176 488 H ASP 61 HN ASP 61 -0.996 -5.355 -6.301 489 HA ASP 61 HA ASP 61 -2.531 -7.147 -7.901 490 HB2 ASP 61 HB2 ASP 61 -0.030 -5.597 -8.258 491 HB3 ASP 61 HB1 ASP 61 -0.229 -7.004 -9.297 492 H ALA 62 HN ALA 62 0.427 -7.561 -6.056 493 HA ALA 62 HA ALA 62 0.850 -10.228 -6.984 494 HB1 ALA 62 HB1 ALA 62 1.987 -8.776 -4.616 495 HB2 ALA 62 HB2 ALA 62 2.658 -8.790 -6.245 496 HB3 ALA 62 HB3 ALA 62 2.603 -10.279 -5.296 497 H ILE 63 HN ILE 63 -0.705 -8.752 -4.180 498 HA ILE 63 HA ILE 63 -1.249 -11.206 -2.941 499 HB ILE 63 HB ILE 63 -1.362 -8.708 -1.981 500 HG12 ILE 63 HG12 ILE 63 -1.300 -10.852 -0.710 501 HG13 ILE 63 HG11 ILE 63 -2.274 -9.617 0.047 502 HG21 ILE 63 HG21 ILE 63 -3.619 -8.021 -1.435 503 HG22 ILE 63 HG22 ILE 63 -4.281 -9.349 -2.389 504 HG23 ILE 63 HG23 ILE 63 -3.381 -8.056 -3.179 505 HD11 ILE 63 HD11 ILE 63 -4.311 -10.735 -0.749 506 HD12 ILE 63 HD12 ILE 63 -3.323 -11.762 0.289 507 HD13 ILE 63 HD13 ILE 63 -3.308 -12.005 -1.455 508 H LYS 64 HN LYS 64 -2.982 -9.348 -5.481 509 HA LYS 64 HA LYS 64 -5.122 -11.240 -5.402 510 HB2 LYS 64 HB2 LYS 64 -6.058 -10.205 -7.370 511 HB3 LYS 64 HB1 LYS 64 -5.578 -8.986 -6.203 512 HG2 LYS 64 HG2 LYS 64 -4.665 -7.961 -7.942 513 HG3 LYS 64 HG1 LYS 64 -3.365 -9.131 -7.739 514 HD2 LYS 64 HD2 LYS 64 -4.530 -10.619 -9.377 515 HD3 LYS 64 HD1 LYS 64 -5.683 -9.313 -9.664 516 HE2 LYS 64 HE2 LYS 64 -3.665 -7.859 -10.210 517 HE3 LYS 64 HE1 LYS 64 -2.724 -9.346 -10.223 518 HZ1 LYS 64 HZ1 LYS 64 -5.049 -8.758 -11.975 519 HZ2 LYS 64 HZ2 LYS 64 -4.158 -10.195 -11.979 520 HZ3 LYS 64 HZ3 LYS 64 -3.424 -8.745 -12.445 521 H GLU 65 HN GLU 65 -1.970 -11.202 -6.935 522 HA GLU 65 HA GLU 65 -2.645 -13.401 -8.631 523 HB2 GLU 65 HB2 GLU 65 -0.490 -13.467 -9.388 524 HB3 GLU 65 HB1 GLU 65 -0.565 -11.817 -8.817 525 HG2 GLU 65 HG2 GLU 65 1.446 -12.361 -7.972 526 HG3 GLU 65 HG1 GLU 65 0.473 -12.960 -6.637 527 H LYS 66 HN LYS 66 -1.643 -13.336 -5.133 528 HA LYS 66 HA LYS 66 -2.366 -16.212 -5.361 529 HB2 LYS 66 HB2 LYS 66 -1.197 -16.844 -3.410 530 HB3 LYS 66 HB1 LYS 66 -0.120 -15.943 -4.446 531 HG2 LYS 66 HG2 LYS 66 -1.472 -14.679 -2.082 532 HG3 LYS 66 HG1 LYS 66 0.017 -15.597 -1.919 533 HD2 LYS 66 HD2 LYS 66 -0.392 -13.094 -3.546 534 HD3 LYS 66 HD1 LYS 66 0.503 -13.236 -2.035 535 HE2 LYS 66 HE2 LYS 66 1.228 -14.455 -4.699 536 HE3 LYS 66 HE1 LYS 66 2.032 -13.122 -3.888 537 HZ1 LYS 66 HZ1 LYS 66 3.246 -15.178 -3.636 538 HZ2 LYS 66 HZ2 LYS 66 1.920 -15.916 -2.890 539 HZ3 LYS 66 HZ3 LYS 66 2.707 -14.623 -2.133 540 H ASP 67 HN ASP 67 -4.205 -13.782 -4.787 541 HA ASP 67 HA ASP 67 -5.539 -14.460 -2.341 542 HB2 ASP 67 HB2 ASP 67 -6.765 -12.593 -2.546 543 HB3 ASP 67 HB1 ASP 67 -5.570 -12.174 -3.728 544 H GLY 68 HN GLY 68 -8.029 -14.959 -2.361 545 HA2 GLY 68 HA2 GLY 68 -9.489 -16.704 -3.226 546 HA3 GLY 68 HA1 GLY 68 -8.055 -17.436 -3.951 547 H CYS 69 HN CYS 69 -7.943 -16.069 -0.801 548 HA CYS 69 HA CYS 69 -6.651 -18.235 0.354 549 HB2 CYS 69 HB2 CYS 69 -7.098 -17.004 2.514 550 HB3 CYS 69 HB1 CYS 69 -6.379 -16.026 1.245 551 HG CYS 69 HG CYS 69 -8.363 -14.354 0.896 552 H ASP 70 HN ASP 70 -7.205 -19.921 1.568 553 HA ASP 70 HA ASP 70 -10.047 -20.477 1.903 554 HB2 ASP 70 HB2 ASP 70 -8.491 -21.532 -0.106 555 HB3 ASP 70 HB1 ASP 70 -8.467 -22.796 1.119 556 H PHE 71 HN PHE 71 -10.615 -22.022 3.304 557 HA PHE 71 HA PHE 71 -8.832 -22.827 5.433 558 HB2 PHE 71 HB2 PHE 71 -10.566 -21.832 7.120 559 HB3 PHE 71 HB1 PHE 71 -9.312 -20.794 6.457 560 HD1 PHE 71 HD1 PHE 71 -12.904 -21.614 6.377 561 HD2 PHE 71 HD2 PHE 71 -9.855 -18.957 5.039 562 HE1 PHE 71 HE1 PHE 71 -14.621 -20.010 5.638 563 HE2 PHE 71 HE2 PHE 71 -11.561 -17.362 4.297 564 HZ PHE 71 HZ PHE 71 -13.947 -17.877 4.599 565 H GLU 72 HN GLU 72 -9.634 -24.549 6.709 566 HA GLU 72 HA GLU 72 -10.830 -26.352 7.300 567 HB2 GLU 72 HB2 GLU 72 -13.223 -25.012 6.054 568 HB3 GLU 72 HB1 GLU 72 -13.277 -26.489 7.006 569 HG2 GLU 72 HG2 GLU 72 -12.146 -25.080 8.852 570 HG3 GLU 72 HG1 GLU 72 -12.640 -23.698 7.883 571 H GLY 73 HN GLY 73 -9.333 -27.207 5.734 572 HA2 GLY 73 HA2 GLY 73 -9.231 -29.334 4.667 573 HA3 GLY 73 HA1 GLY 73 -10.769 -28.994 3.895 574 H ASN 74 HN ASN 74 -9.591 -26.198 3.222 575 HA ASN 74 HA ASN 74 -7.321 -27.034 1.544 576 HB2 ASN 74 HB2 ASN 74 -9.348 -24.838 1.074 577 HB3 ASN 74 HB1 ASN 74 -7.793 -24.871 0.254 578 HD21 ASN 74 HD21 ASN 74 -7.408 -26.383 -1.324 579 HD22 ASN 74 HD22 ASN 74 -8.675 -27.302 -2.050 580 H LYS 75 HN LYS 75 -5.426 -26.283 2.278 581 HA LYS 75 HA LYS 75 -5.465 -24.195 4.328 582 HB2 LYS 75 HB2 LYS 75 -3.503 -26.313 3.552 583 HB3 LYS 75 HB1 LYS 75 -2.894 -24.856 4.316 584 HG2 LYS 75 HG2 LYS 75 -3.191 -26.513 6.002 585 HG3 LYS 75 HG1 LYS 75 -4.424 -25.277 6.229 586 HD2 LYS 75 HD2 LYS 75 -5.350 -27.443 4.521 587 HD3 LYS 75 HD1 LYS 75 -4.834 -28.020 6.106 588 HE2 LYS 75 HE2 LYS 75 -6.744 -25.723 5.694 589 HE3 LYS 75 HE1 LYS 75 -7.262 -27.388 5.939 590 HZ1 LYS 75 HZ1 LYS 75 -5.649 -25.783 7.847 591 HZ2 LYS 75 HZ2 LYS 75 -6.156 -27.377 8.090 592 HZ3 LYS 75 HZ3 LYS 75 -7.295 -26.131 8.004 593 H LEU 76 HN LEU 76 -5.541 -22.153 3.369 594 HA LEU 76 HA LEU 76 -3.117 -21.326 2.033 595 HB2 LEU 76 HB2 LEU 76 -4.455 -22.435 0.197 596 HB3 LEU 76 HB1 LEU 76 -5.675 -21.205 0.424 597 HG LEU 76 HG LEU 76 -3.781 -19.529 -0.125 598 HD11 LEU 76 HD11 LEU 76 -2.622 -22.042 -1.313 599 HD12 LEU 76 HD12 LEU 76 -1.930 -21.111 0.015 600 HD13 LEU 76 HD13 LEU 76 -2.047 -20.401 -1.595 601 HD21 LEU 76 HD21 LEU 76 -4.937 -21.358 -2.220 602 HD22 LEU 76 HD22 LEU 76 -4.247 -19.763 -2.521 603 HD23 LEU 76 HD23 LEU 76 -5.706 -19.921 -1.542 604 H ARG 77 HN ARG 77 -3.490 -19.898 4.166 605 HA ARG 77 HA ARG 77 -5.494 -17.848 3.516 606 HB2 ARG 77 HB2 ARG 77 -5.871 -18.510 5.712 607 HB3 ARG 77 HB1 ARG 77 -4.162 -18.684 6.063 608 HG2 ARG 77 HG2 ARG 77 -5.098 -16.832 7.313 609 HG3 ARG 77 HG1 ARG 77 -3.928 -16.242 6.137 610 HD2 ARG 77 HD2 ARG 77 -5.797 -14.753 6.125 611 HD3 ARG 77 HD1 ARG 77 -5.816 -15.666 4.622 612 HE ARG 77 HE ARG 77 -7.495 -17.046 6.293 613 HH11 ARG 77 HH11 ARG 77 -7.323 -13.756 5.111 614 HH12 ARG 77 HH12 ARG 77 -9.029 -13.484 5.173 615 HH21 ARG 77 HH22 ARG 77 -9.752 -16.701 6.416 616 HH22 ARG 77 HH21 ARG 77 -10.419 -15.180 5.922 617 H VAL 78 HN VAL 78 -4.735 -16.321 2.209 618 HA VAL 78 HA VAL 78 -2.328 -14.898 3.134 619 HB VAL 78 HB VAL 78 -3.131 -14.748 0.240 620 HG11 VAL 78 HG11 VAL 78 -1.536 -13.141 1.109 621 HG12 VAL 78 HG12 VAL 78 -0.764 -14.201 -0.070 622 HG13 VAL 78 HG13 VAL 78 -0.488 -14.449 1.652 623 HG21 VAL 78 HG21 VAL 78 -1.291 -16.892 1.314 624 HG22 VAL 78 HG22 VAL 78 -1.535 -16.504 -0.386 625 HG23 VAL 78 HG23 VAL 78 -2.867 -17.153 0.567 626 H GLU 79 HN GLU 79 -2.977 -12.911 3.870 627 HA GLU 79 HA GLU 79 -4.877 -11.449 2.239 628 HB2 GLU 79 HB2 GLU 79 -6.209 -12.684 4.039 629 HB3 GLU 79 HB1 GLU 79 -5.403 -11.646 5.208 630 HG2 GLU 79 HG2 GLU 79 -6.300 -9.671 3.969 631 HG3 GLU 79 HG1 GLU 79 -7.231 -10.787 2.977 632 H VAL 80 HN VAL 80 -4.523 -9.333 2.173 633 HA VAL 80 HA VAL 80 -2.574 -8.164 3.961 634 HB VAL 80 HB VAL 80 -2.941 -6.072 2.607 635 HG11 VAL 80 HG11 VAL 80 -1.131 -7.007 1.704 636 HG12 VAL 80 HG12 VAL 80 -2.203 -7.513 0.397 637 HG13 VAL 80 HG13 VAL 80 -1.842 -8.616 1.729 638 HG21 VAL 80 HG21 VAL 80 -4.554 -7.855 0.776 639 HG22 VAL 80 HG22 VAL 80 -4.144 -6.158 0.525 640 HG23 VAL 80 HG23 VAL 80 -5.250 -6.615 1.818 641 HA PRO 81 HA PRO 81 -5.928 -6.243 6.321 642 HB2 PRO 81 HB2 PRO 81 -4.507 -5.758 8.567 643 HB3 PRO 81 HB1 PRO 81 -5.169 -7.366 8.213 644 HG2 PRO 81 HG2 PRO 81 -2.393 -6.370 7.953 645 HG3 PRO 81 HG1 PRO 81 -2.974 -7.972 8.438 646 HD2 PRO 81 HD2 PRO 81 -2.026 -7.306 5.914 647 HD3 PRO 81 HD1 PRO 81 -3.028 -8.722 6.295 648 H PHE 82 HN PHE 82 -3.736 -5.047 4.421 649 HA PHE 82 HA PHE 82 -3.782 -2.381 5.652 650 HB2 PHE 82 HB2 PHE 82 -1.767 -1.778 4.417 651 HB3 PHE 82 HB1 PHE 82 -1.491 -3.128 5.498 652 HD1 PHE 82 HD1 PHE 82 -2.740 -3.112 1.904 653 HD2 PHE 82 HD2 PHE 82 0.271 -4.226 4.677 654 HE1 PHE 82 HE1 PHE 82 -1.502 -4.244 0.120 655 HE2 PHE 82 HE2 PHE 82 1.492 -5.374 2.923 656 HZ PHE 82 HZ PHE 82 0.626 -5.382 0.635 657 H ASN 83 HN ASN 83 -5.687 -3.796 3.665 658 HA ASN 83 HA ASN 83 -5.249 -2.414 1.177 659 HB2 ASN 83 HB2 ASN 83 -6.292 -4.753 1.469 660 HB3 ASN 83 HB1 ASN 83 -7.766 -3.905 1.908 661 HD21 ASN 83 HD21 ASN 83 -8.928 -2.829 0.328 662 HD22 ASN 83 HD22 ASN 83 -8.607 -3.024 -1.359 663 H ALA 84 HN ALA 84 -5.239 -0.307 1.986 664 HA ALA 84 HA ALA 84 -7.602 1.180 1.638 665 HB1 ALA 84 HB1 ALA 84 -7.831 2.118 3.886 666 HB2 ALA 84 HB2 ALA 84 -6.558 1.041 4.458 667 HB3 ALA 84 HB3 ALA 84 -8.095 0.371 3.915 668 H ARG 85 HN ARG 85 -4.688 0.910 0.955 669 HA ARG 85 HA ARG 85 -3.019 2.194 0.198 670 HB2 ARG 85 HB2 ARG 85 -4.872 3.861 -0.256 671 HB3 ARG 85 HB1 ARG 85 -4.405 4.664 1.228 672 HG2 ARG 85 HG2 ARG 85 -2.314 4.199 -0.832 673 HG3 ARG 85 HG1 ARG 85 -3.522 5.444 -1.134 674 HD2 ARG 85 HD2 ARG 85 -2.933 6.413 1.107 675 HD3 ARG 85 HD1 ARG 85 -1.599 5.267 1.176 676 HE ARG 85 HE ARG 85 -1.878 7.440 -0.789 677 HH11 ARG 85 HH11 ARG 85 0.182 5.162 0.946 678 HH12 ARG 85 HH12 ARG 85 1.648 5.846 0.327 679 HH21 ARG 85 HH21 ARG 85 0.071 8.336 -1.568 680 HH22 ARG 85 HH22 ARG 85 1.586 7.642 -1.094 681 H GLU 86 HN GLU 86 -3.995 3.570 3.373 682 HA GLU 86 HA GLU 86 -1.495 2.696 4.528 683 HB2 GLU 86 HB2 GLU 86 -1.048 4.989 3.538 684 HB3 GLU 86 HB1 GLU 86 -2.231 5.632 4.666 685 HG2 GLU 86 HG2 GLU 86 -0.883 5.152 6.525 686 HG3 GLU 86 HG1 GLU 86 0.164 4.081 5.594 Start of MODEL 13 1 H1 GLY -2 HT1 GLY -2 -6.447 -3.698 -6.797 2 H2 GLY -2 HT2 GLY -2 -7.311 -2.928 -8.030 3 H3 GLY -2 HT3 GLY -2 -8.099 -4.005 -6.989 4 HA2 GLY -2 HA1 GLY -2 -8.613 -1.713 -6.415 5 HA3 GLY -2 HA2 GLY -2 -7.758 -2.545 -5.124 6 H SER -1 HN SER -1 -7.977 0.375 -6.163 7 HA SER -1 HA SER -1 -5.128 0.981 -5.859 8 HB2 SER -1 HB2 SER -1 -5.553 0.933 -8.289 9 HB3 SER -1 HB1 SER -1 -6.865 2.086 -8.088 10 HG SER -1 HG SER -1 -5.319 3.466 -8.478 11 H HIS 0 HN HIS 0 -4.815 2.546 -4.429 12 HA HIS 0 HA HIS 0 -6.610 4.811 -4.184 13 HB2 HIS 0 HB2 HIS 0 -6.593 2.635 -2.242 14 HB3 HIS 0 HB1 HIS 0 -6.177 4.170 -1.508 15 HD1 HIS 0 HD1 HIS 0 -8.012 6.135 -1.887 16 HD2 HIS 0 HD2 HIS 0 -9.263 2.229 -2.557 17 HE1 HIS 0 HE1 HIS 0 -10.519 6.210 -1.839 18 HE2 HIS 0 HE2 HIS 0 -11.238 3.805 -2.017 19 H MET 1 HN MET 1 -5.630 6.606 -3.148 20 HA MET 1 HA MET 1 -3.042 6.335 -1.898 21 HB2 MET 1 HB2 MET 1 -2.061 8.227 -3.359 22 HB3 MET 1 HB1 MET 1 -2.089 6.604 -4.025 23 HG2 MET 1 HG2 MET 1 -3.658 7.132 -5.607 24 HG3 MET 1 HG1 MET 1 -4.358 8.433 -4.646 25 HE1 MET 1 HE1 MET 1 -0.369 8.833 -6.975 26 HE2 MET 1 HE2 MET 1 -1.339 7.362 -6.960 27 HE3 MET 1 HE3 MET 1 -0.506 7.883 -5.496 28 H VAL 2 HN VAL 2 -4.115 7.100 -0.029 29 HA VAL 2 HA VAL 2 -4.493 10.035 -0.043 30 HB VAL 2 HB VAL 2 -6.050 8.107 1.731 31 HG11 VAL 2 HG11 VAL 2 -5.677 10.293 2.778 32 HG12 VAL 2 HG12 VAL 2 -7.381 10.037 2.398 33 HG13 VAL 2 HG13 VAL 2 -6.396 11.087 1.376 34 HG21 VAL 2 HG21 VAL 2 -8.044 8.719 0.454 35 HG22 VAL 2 HG22 VAL 2 -6.836 7.941 -0.571 36 HG23 VAL 2 HG23 VAL 2 -7.055 9.689 -0.636 37 H ILE 3 HN ILE 3 -3.666 11.139 1.778 38 HA ILE 3 HA ILE 3 -1.363 10.032 2.993 39 HB ILE 3 HB ILE 3 -1.309 12.361 2.531 40 HG12 ILE 3 HG12 ILE 3 -1.591 12.064 5.532 41 HG13 ILE 3 HG11 ILE 3 -0.142 11.705 4.604 42 HG21 ILE 3 HG21 ILE 3 -3.660 12.889 2.466 43 HG22 ILE 3 HG22 ILE 3 -2.848 14.015 3.551 44 HG23 ILE 3 HG23 ILE 3 -3.794 12.682 4.212 45 HD11 ILE 3 HD11 ILE 3 0.073 13.823 5.719 46 HD12 ILE 3 HD12 ILE 3 -1.414 14.405 4.973 47 HD13 ILE 3 HD13 ILE 3 0.002 14.079 3.976 48 H ARG 4 HN ARG 4 -1.396 8.540 4.501 49 HA ARG 4 HA ARG 4 -2.691 9.078 7.033 50 HB2 ARG 4 HB2 ARG 4 -3.782 7.136 5.202 51 HB3 ARG 4 HB1 ARG 4 -3.139 6.307 6.617 52 HG2 ARG 4 HG2 ARG 4 -4.492 7.649 8.083 53 HG3 ARG 4 HG1 ARG 4 -5.053 8.629 6.732 54 HD2 ARG 4 HD2 ARG 4 -5.567 5.677 7.055 55 HD3 ARG 4 HD1 ARG 4 -6.713 6.944 7.489 56 HE ARG 4 HE ARG 4 -5.958 6.085 4.797 57 HH11 ARG 4 HH11 ARG 4 -7.785 8.357 6.762 58 HH12 ARG 4 HH12 ARG 4 -8.798 8.858 5.455 59 HH21 ARG 4 HH22 ARG 4 -7.266 6.741 3.099 60 HH22 ARG 4 HH21 ARG 4 -8.499 7.934 3.358 61 H GLU 5 HN GLU 5 -1.444 8.417 8.709 62 HA GLU 5 HA GLU 5 1.095 7.192 7.981 63 HB2 GLU 5 HB2 GLU 5 1.818 7.923 10.301 64 HB3 GLU 5 HB1 GLU 5 1.452 9.201 9.159 65 HG2 GLU 5 HG2 GLU 5 -0.777 9.444 10.239 66 HG3 GLU 5 HG1 GLU 5 -0.271 8.265 11.448 67 H SER 6 HN SER 6 0.965 5.086 7.895 68 HA SER 6 HA SER 6 0.501 3.532 10.277 69 HB2 SER 6 HB2 SER 6 -1.806 3.901 9.242 70 HB3 SER 6 HB1 SER 6 -1.238 2.970 7.859 71 HG SER 6 HG SER 6 -2.358 1.677 9.395 72 H VAL 7 HN VAL 7 1.205 1.294 9.977 73 HA VAL 7 HA VAL 7 3.065 1.037 7.702 74 HB VAL 7 HB VAL 7 3.385 -0.959 9.838 75 HG11 VAL 7 HG11 VAL 7 4.908 -0.666 7.938 76 HG12 VAL 7 HG12 VAL 7 5.735 -0.489 9.486 77 HG13 VAL 7 HG13 VAL 7 5.329 0.940 8.534 78 HG21 VAL 7 HG21 VAL 7 4.531 0.502 11.427 79 HG22 VAL 7 HG22 VAL 7 2.828 0.940 11.286 80 HG23 VAL 7 HG23 VAL 7 4.059 1.914 10.483 81 H SER 8 HN SER 8 2.483 -0.313 6.151 82 HA SER 8 HA SER 8 0.157 -1.980 6.534 83 HB2 SER 8 HB2 SER 8 0.499 -2.364 3.998 84 HB3 SER 8 HB1 SER 8 0.002 -0.772 4.550 85 HG SER 8 HG SER 8 2.415 -0.363 4.524 86 H ARG 9 HN ARG 9 0.055 -4.127 6.681 87 HA ARG 9 HA ARG 9 2.540 -5.667 6.429 88 HB2 ARG 9 HB2 ARG 9 2.212 -6.662 8.609 89 HB3 ARG 9 HB1 ARG 9 2.230 -4.913 8.763 90 HG2 ARG 9 HG2 ARG 9 -0.434 -5.408 8.466 91 HG3 ARG 9 HG1 ARG 9 0.106 -6.828 9.362 92 HD2 ARG 9 HD2 ARG 9 1.290 -5.149 10.904 93 HD3 ARG 9 HD1 ARG 9 0.265 -3.935 10.140 94 HE ARG 9 HE ARG 9 -1.241 -6.172 11.069 95 HH11 ARG 9 HH11 ARG 9 0.298 -3.215 12.123 96 HH12 ARG 9 HH12 ARG 9 -0.735 -3.014 13.493 97 HH21 ARG 9 HH21 ARG 9 -2.580 -5.929 12.918 98 HH22 ARG 9 HH22 ARG 9 -2.371 -4.553 13.949 99 H ILE 10 HN ILE 10 2.307 -7.921 6.086 100 HA ILE 10 HA ILE 10 -0.377 -8.804 5.201 101 HB ILE 10 HB ILE 10 2.270 -9.806 4.142 102 HG12 ILE 10 HG12 ILE 10 0.382 -7.824 2.873 103 HG13 ILE 10 HG11 ILE 10 1.993 -7.486 3.479 104 HG21 ILE 10 HG21 ILE 10 0.963 -10.861 2.366 105 HG22 ILE 10 HG22 ILE 10 -0.527 -10.247 3.087 106 HG23 ILE 10 HG23 ILE 10 0.452 -11.428 3.959 107 HD11 ILE 10 HD11 ILE 10 1.334 -9.315 1.190 108 HD12 ILE 10 HD12 ILE 10 2.946 -8.933 1.780 109 HD13 ILE 10 HD13 ILE 10 1.948 -7.675 1.052 110 H TYR 11 HN TYR 11 -1.106 -10.803 5.806 111 HA TYR 11 HA TYR 11 0.580 -12.366 7.658 112 HB2 TYR 11 HB2 TYR 11 -1.651 -11.284 8.411 113 HB3 TYR 11 HB1 TYR 11 -2.422 -12.511 7.427 114 HD1 TYR 11 HD2 TYR 11 -0.534 -11.852 10.483 115 HD2 TYR 11 HD1 TYR 11 -2.460 -14.860 8.162 116 HE1 TYR 11 HE2 TYR 11 -0.504 -13.361 12.422 117 HE2 TYR 11 HE1 TYR 11 -2.438 -16.370 10.102 118 HH TYR 11 HH TYR 11 -1.245 -16.687 12.176 119 H VAL 12 HN VAL 12 1.446 -14.100 6.592 120 HA VAL 12 HA VAL 12 -0.422 -15.611 4.888 121 HB VAL 12 HB VAL 12 1.102 -14.699 3.317 122 HG11 VAL 12 HG11 VAL 12 3.404 -15.720 4.936 123 HG12 VAL 12 HG12 VAL 12 2.885 -14.035 4.832 124 HG13 VAL 12 HG13 VAL 12 3.496 -14.863 3.397 125 HG21 VAL 12 HG21 VAL 12 2.128 -17.485 3.790 126 HG22 VAL 12 HG22 VAL 12 2.097 -16.599 2.263 127 HG23 VAL 12 HG23 VAL 12 0.587 -17.104 3.031 128 H GLY 13 HN GLY 13 -1.053 -17.345 5.845 129 HA2 GLY 13 HA2 GLY 13 0.855 -18.849 7.530 130 HA3 GLY 13 HA1 GLY 13 -0.839 -18.652 7.924 131 H ASN 14 HN ASN 14 0.477 -21.097 7.805 132 HA ASN 14 HA ASN 14 0.015 -23.246 7.262 133 HB2 ASN 14 HB2 ASN 14 -2.490 -21.889 6.338 134 HB3 ASN 14 HB1 ASN 14 -2.277 -23.619 6.088 135 HD21 ASN 14 HD21 ASN 14 -2.763 -21.087 8.409 136 HD22 ASN 14 HD22 ASN 14 -3.138 -22.112 9.747 137 H LEU 15 HN LEU 15 1.487 -21.616 5.253 138 HA LEU 15 HA LEU 15 0.578 -22.728 2.754 139 HB2 LEU 15 HB2 LEU 15 1.952 -21.145 1.631 140 HB3 LEU 15 HB1 LEU 15 1.076 -20.321 2.887 141 HG LEU 15 HG LEU 15 3.137 -19.278 2.813 142 HD11 LEU 15 HD11 LEU 15 4.378 -19.741 4.848 143 HD12 LEU 15 HD12 LEU 15 3.478 -21.240 5.056 144 HD13 LEU 15 HD13 LEU 15 2.638 -19.690 5.113 145 HD21 LEU 15 HD21 LEU 15 5.320 -20.418 2.803 146 HD22 LEU 15 HD22 LEU 15 4.341 -20.696 1.367 147 HD23 LEU 15 HD23 LEU 15 4.470 -21.949 2.601 148 HA PRO 16 HA PRO 16 3.524 -26.012 2.632 149 HB2 PRO 16 HB2 PRO 16 3.801 -26.439 -0.033 150 HB3 PRO 16 HB1 PRO 16 2.320 -26.832 0.858 151 HG2 PRO 16 HG2 PRO 16 2.881 -24.538 -0.937 152 HG3 PRO 16 HG1 PRO 16 1.381 -25.452 -0.690 153 HD2 PRO 16 HD2 PRO 16 1.930 -22.981 0.418 154 HD3 PRO 16 HD1 PRO 16 0.717 -24.129 1.009 155 H SER 17 HN SER 17 5.606 -26.576 2.352 156 HA SER 17 HA SER 17 7.835 -26.534 2.092 157 HB2 SER 17 HB2 SER 17 8.975 -25.340 0.455 158 HB3 SER 17 HB1 SER 17 7.353 -25.406 -0.214 159 HG SER 17 HG SER 17 8.817 -23.265 0.271 160 H HIS 18 HN HIS 18 6.099 -23.935 3.426 161 HA HIS 18 HA HIS 18 6.417 -22.380 5.004 162 HB2 HIS 18 HB2 HIS 18 7.277 -23.996 6.527 163 HB3 HIS 18 HB1 HIS 18 8.811 -24.093 5.678 164 HD1 HIS 18 HD1 HIS 18 10.587 -23.137 7.104 165 HD2 HIS 18 HD2 HIS 18 7.040 -21.010 7.489 166 HE1 HIS 18 HE1 HIS 18 11.100 -21.261 8.693 167 HE2 HIS 18 HE2 HIS 18 8.995 -19.882 8.748 168 H VAL 19 HN VAL 19 6.630 -20.501 4.097 169 HA VAL 19 HA VAL 19 9.067 -19.790 2.733 170 HB VAL 19 HB VAL 19 6.803 -19.083 1.866 171 HG11 VAL 19 HG11 VAL 19 6.888 -17.052 4.083 172 HG12 VAL 19 HG12 VAL 19 5.755 -18.391 3.953 173 HG13 VAL 19 HG13 VAL 19 5.726 -17.096 2.757 174 HG21 VAL 19 HG21 VAL 19 8.737 -16.830 2.339 175 HG22 VAL 19 HG22 VAL 19 7.542 -16.944 1.045 176 HG23 VAL 19 HG23 VAL 19 8.896 -18.069 1.096 177 H SER 20 HN SER 20 10.710 -18.736 3.534 178 HA SER 20 HA SER 20 10.637 -18.024 6.355 179 HB2 SER 20 HB2 SER 20 12.977 -18.169 4.421 180 HB3 SER 20 HB1 SER 20 13.089 -17.882 6.158 181 HG SER 20 HG SER 20 12.410 -20.225 4.776 182 H SER 21 HN SER 21 11.963 -15.998 6.938 183 HA SER 21 HA SER 21 10.494 -13.787 6.109 184 HB2 SER 21 HB2 SER 21 12.368 -12.497 7.322 185 HB3 SER 21 HB1 SER 21 11.463 -13.692 8.253 186 HG SER 21 HG SER 21 13.819 -13.773 8.444 187 H ARG 22 HN ARG 22 13.705 -14.845 5.064 188 HA ARG 22 HA ARG 22 14.467 -12.644 3.506 189 HB2 ARG 22 HB2 ARG 22 16.090 -14.242 4.184 190 HB3 ARG 22 HB1 ARG 22 15.199 -15.564 3.465 191 HG2 ARG 22 HG2 ARG 22 16.141 -13.491 1.589 192 HG3 ARG 22 HG1 ARG 22 17.397 -14.441 2.381 193 HD2 ARG 22 HD2 ARG 22 15.340 -16.221 1.502 194 HD3 ARG 22 HD1 ARG 22 15.768 -15.163 0.164 195 HE ARG 22 HE ARG 22 18.017 -15.951 0.305 196 HH11 ARG 22 HH12 ARG 22 15.746 -17.797 2.283 197 HH12 ARG 22 HH11 ARG 22 16.783 -19.179 2.383 198 HH21 ARG 22 HH21 ARG 22 19.362 -17.784 0.452 199 HH22 ARG 22 HH22 ARG 22 18.840 -19.176 1.342 200 H ASP 23 HN ASP 23 12.481 -15.425 2.671 201 HA ASP 23 HA ASP 23 12.714 -15.036 -0.154 202 HB2 ASP 23 HB2 ASP 23 10.784 -16.777 1.397 203 HB3 ASP 23 HB1 ASP 23 11.114 -16.885 -0.326 204 H VAL 24 HN VAL 24 10.073 -14.576 2.199 205 HA VAL 24 HA VAL 24 8.351 -13.271 0.356 206 HB VAL 24 HB VAL 24 7.362 -12.226 2.578 207 HG11 VAL 24 HG11 VAL 24 6.303 -13.883 1.062 208 HG12 VAL 24 HG12 VAL 24 5.882 -14.080 2.764 209 HG13 VAL 24 HG13 VAL 24 7.057 -15.156 2.017 210 HG21 VAL 24 HG21 VAL 24 9.175 -12.964 4.042 211 HG22 VAL 24 HG22 VAL 24 8.802 -14.642 3.641 212 HG23 VAL 24 HG23 VAL 24 7.622 -13.656 4.506 213 H GLU 25 HN GLU 25 10.914 -12.100 2.491 214 HA GLU 25 HA GLU 25 10.536 -9.347 2.131 215 HB2 GLU 25 HB2 GLU 25 12.138 -10.119 3.751 216 HB3 GLU 25 HB1 GLU 25 13.076 -10.936 2.512 217 HG2 GLU 25 HG2 GLU 25 13.842 -8.863 1.617 218 HG3 GLU 25 HG1 GLU 25 12.722 -7.953 2.616 219 H ASN 26 HN ASN 26 12.274 -11.697 0.048 220 HA ASN 26 HA ASN 26 13.248 -9.700 -1.752 221 HB2 ASN 26 HB2 ASN 26 13.920 -12.261 -1.329 222 HB3 ASN 26 HB1 ASN 26 12.844 -12.491 -2.707 223 HD21 ASN 26 HD21 ASN 26 15.860 -11.205 -1.615 224 HD22 ASN 26 HD22 ASN 26 16.524 -10.899 -3.183 225 H GLU 27 HN GLU 27 10.578 -12.012 -1.882 226 HA GLU 27 HA GLU 27 9.643 -11.480 -4.478 227 HB2 GLU 27 HB2 GLU 27 9.097 -13.485 -3.026 228 HB3 GLU 27 HB1 GLU 27 7.949 -12.462 -2.174 229 HG2 GLU 27 HG2 GLU 27 6.625 -13.578 -3.721 230 HG3 GLU 27 HG1 GLU 27 6.926 -12.027 -4.496 231 H PHE 28 HN PHE 28 8.663 -10.150 -1.327 232 HA PHE 28 HA PHE 28 6.743 -8.447 -2.615 233 HB2 PHE 28 HB2 PHE 28 7.498 -8.775 0.275 234 HB3 PHE 28 HB1 PHE 28 6.421 -7.490 -0.264 235 HD1 PHE 28 HD2 PHE 28 4.362 -8.174 -1.608 236 HD2 PHE 28 HD1 PHE 28 6.637 -10.926 0.702 237 HE1 PHE 28 HE2 PHE 28 2.469 -9.738 -1.609 238 HE2 PHE 28 HE1 PHE 28 4.744 -12.489 0.697 239 HZ PHE 28 HZ PHE 28 2.659 -11.899 -0.456 240 H ARG 29 HN ARG 29 10.117 -8.108 -1.619 241 HA ARG 29 HA ARG 29 10.087 -5.245 -1.485 242 HB2 ARG 29 HB2 ARG 29 12.431 -5.202 -1.324 243 HB3 ARG 29 HB1 ARG 29 11.991 -6.719 -0.560 244 HG2 ARG 29 HG2 ARG 29 12.615 -7.944 -2.556 245 HG3 ARG 29 HG1 ARG 29 12.980 -6.443 -3.385 246 HD2 ARG 29 HD2 ARG 29 14.796 -6.005 -1.810 247 HD3 ARG 29 HD1 ARG 29 14.421 -7.508 -0.965 248 HE ARG 29 HE ARG 29 15.363 -8.713 -2.684 249 HH11 ARG 29 HH12 ARG 29 15.252 -5.312 -3.616 250 HH12 ARG 29 HH11 ARG 29 16.279 -5.531 -4.992 251 HH21 ARG 29 HH22 ARG 29 16.683 -8.974 -4.541 252 HH22 ARG 29 HH21 ARG 29 17.086 -7.600 -5.512 253 H LYS 30 HN LYS 30 10.523 -7.546 -4.178 254 HA LYS 30 HA LYS 30 11.598 -5.556 -5.904 255 HB2 LYS 30 HB2 LYS 30 11.339 -7.039 -7.732 256 HB3 LYS 30 HB1 LYS 30 11.808 -8.003 -6.348 257 HG2 LYS 30 HG2 LYS 30 10.054 -9.329 -6.642 258 HG3 LYS 30 HG1 LYS 30 8.955 -7.958 -6.523 259 HD2 LYS 30 HD2 LYS 30 10.389 -8.759 -9.059 260 HD3 LYS 30 HD1 LYS 30 8.748 -9.256 -8.654 261 HE2 LYS 30 HE2 LYS 30 8.124 -6.838 -8.528 262 HE3 LYS 30 HE1 LYS 30 9.736 -6.436 -9.109 263 HZ1 LYS 30 HZ1 LYS 30 9.274 -7.625 -11.138 264 HZ2 LYS 30 HZ2 LYS 30 8.092 -6.447 -10.878 265 HZ3 LYS 30 HZ3 LYS 30 7.748 -8.075 -10.571 266 H TYR 31 HN TYR 31 8.341 -6.255 -4.969 267 HA TYR 31 HA TYR 31 7.267 -4.558 -7.078 268 HB2 TYR 31 HB2 TYR 31 6.001 -6.247 -4.930 269 HB3 TYR 31 HB1 TYR 31 5.067 -5.132 -5.916 270 HD1 TYR 31 HD2 TYR 31 5.033 -5.492 -8.435 271 HD2 TYR 31 HD1 TYR 31 6.541 -8.391 -5.725 272 HE1 TYR 31 HE2 TYR 31 4.750 -7.231 -10.152 273 HE2 TYR 31 HE1 TYR 31 6.259 -10.144 -7.428 274 HH TYR 31 HH TYR 31 4.936 -10.560 -9.429 275 H GLY 32 HN GLY 32 7.659 -4.538 -3.535 276 HA2 GLY 32 HA2 GLY 32 7.430 -1.635 -3.501 277 HA3 GLY 32 HA1 GLY 32 6.215 -2.513 -2.581 278 H ASN 33 HN ASN 33 8.628 -0.722 -1.899 279 HA ASN 33 HA ASN 33 10.723 -2.340 -0.915 280 HB2 ASN 33 HB2 ASN 33 10.032 0.548 -0.382 281 HB3 ASN 33 HB1 ASN 33 11.512 -0.224 0.180 282 HD21 ASN 33 HD21 ASN 33 13.095 -0.806 -1.324 283 HD22 ASN 33 HD22 ASN 33 13.098 -0.192 -2.938 284 H ILE 34 HN ILE 34 10.890 -3.514 0.801 285 HA ILE 34 HA ILE 34 8.890 -3.404 2.891 286 HB ILE 34 HB ILE 34 9.098 -5.559 1.982 287 HG12 ILE 34 HG12 ILE 34 9.304 -5.357 4.624 288 HG13 ILE 34 HG11 ILE 34 9.330 -6.914 3.814 289 HG21 ILE 34 HG21 ILE 34 12.075 -5.460 2.341 290 HG22 ILE 34 HG22 ILE 34 11.199 -5.249 0.827 291 HG23 ILE 34 HG23 ILE 34 11.141 -6.795 1.666 292 HD11 ILE 34 HD11 ILE 34 11.712 -7.075 4.080 293 HD12 ILE 34 HD12 ILE 34 11.018 -6.654 5.639 294 HD13 ILE 34 HD13 ILE 34 11.816 -5.418 4.668 295 H LEU 35 HN LEU 35 9.227 -3.121 5.012 296 HA LEU 35 HA LEU 35 11.744 -1.791 5.710 297 HB2 LEU 35 HB2 LEU 35 8.903 -1.437 6.482 298 HB3 LEU 35 HB1 LEU 35 10.085 -1.152 7.739 299 HG LEU 35 HG LEU 35 11.127 0.617 6.422 300 HD11 LEU 35 HD11 LEU 35 9.032 0.072 4.320 301 HD12 LEU 35 HD12 LEU 35 10.758 -0.256 4.163 302 HD13 LEU 35 HD13 LEU 35 10.186 1.406 4.318 303 HD21 LEU 35 HD21 LEU 35 8.133 0.883 6.580 304 HD22 LEU 35 HD22 LEU 35 9.270 2.219 6.405 305 HD23 LEU 35 HD23 LEU 35 9.291 1.230 7.866 306 H LYS 36 HN LYS 36 9.420 -4.178 6.934 307 HA LYS 36 HA LYS 36 11.533 -5.491 8.467 308 HB2 LYS 36 HB2 LYS 36 10.396 -3.833 9.988 309 HB3 LYS 36 HB1 LYS 36 8.882 -4.668 9.711 310 HG2 LYS 36 HG2 LYS 36 11.203 -6.176 10.835 311 HG3 LYS 36 HG1 LYS 36 10.285 -5.098 11.877 312 HD2 LYS 36 HD2 LYS 36 8.464 -6.743 10.396 313 HD3 LYS 36 HD1 LYS 36 9.688 -7.766 11.144 314 HE2 LYS 36 HE2 LYS 36 7.820 -7.537 12.638 315 HE3 LYS 36 HE1 LYS 36 9.209 -6.692 13.315 316 HZ1 LYS 36 HZ1 LYS 36 6.998 -5.377 11.824 317 HZ2 LYS 36 HZ2 LYS 36 8.289 -4.613 12.604 318 HZ3 LYS 36 HZ3 LYS 36 7.131 -5.439 13.508 319 H CYS 37 HN CYS 37 11.337 -7.707 8.236 320 HA CYS 37 HA CYS 37 8.658 -8.789 7.731 321 HB2 CYS 37 HB2 CYS 37 9.929 -8.576 5.556 322 HB3 CYS 37 HB1 CYS 37 11.090 -9.731 6.206 323 HG CYS 37 HG CYS 37 7.807 -10.573 6.138 324 H ASP 38 HN ASP 38 8.226 -10.291 9.199 325 HA ASP 38 HA ASP 38 10.469 -11.908 10.189 326 HB2 ASP 38 HB2 ASP 38 10.112 -11.515 12.428 327 HB3 ASP 38 HB1 ASP 38 9.718 -9.944 11.753 328 H VAL 39 HN VAL 39 9.978 -14.022 10.900 329 HA VAL 39 HA VAL 39 7.300 -14.867 10.094 330 HB VAL 39 HB VAL 39 8.822 -15.640 8.405 331 HG11 VAL 39 HG11 VAL 39 10.679 -17.172 8.860 332 HG12 VAL 39 HG12 VAL 39 10.409 -16.957 10.592 333 HG13 VAL 39 HG13 VAL 39 10.908 -15.587 9.598 334 HG21 VAL 39 HG21 VAL 39 8.469 -18.039 8.405 335 HG22 VAL 39 HG22 VAL 39 7.026 -17.207 8.991 336 HG23 VAL 39 HG23 VAL 39 8.111 -18.008 10.130 337 H LYS 40 HN LYS 40 6.058 -15.845 11.529 338 HA LYS 40 HA LYS 40 7.224 -16.683 14.118 339 HB2 LYS 40 HB2 LYS 40 4.325 -16.010 13.565 340 HB3 LYS 40 HB1 LYS 40 5.058 -16.289 15.127 341 HG2 LYS 40 HG2 LYS 40 5.088 -14.061 15.294 342 HG3 LYS 40 HG1 LYS 40 6.493 -14.140 14.228 343 HD2 LYS 40 HD2 LYS 40 5.336 -13.342 12.424 344 HD3 LYS 40 HD1 LYS 40 3.834 -14.126 12.907 345 HE2 LYS 40 HE2 LYS 40 3.609 -11.710 13.032 346 HE3 LYS 40 HE1 LYS 40 3.500 -12.421 14.641 347 HZ1 LYS 40 HZ1 LYS 40 5.786 -11.774 15.044 348 HZ2 LYS 40 HZ2 LYS 40 4.862 -10.428 14.616 349 HZ3 LYS 40 HZ3 LYS 40 5.918 -11.120 13.485 350 H LYS 41 HN LYS 41 6.101 -18.565 15.191 351 HA LYS 41 HA LYS 41 4.545 -20.220 13.350 352 HB2 LYS 41 HB2 LYS 41 5.716 -22.205 13.723 353 HB3 LYS 41 HB1 LYS 41 6.992 -21.019 13.554 354 HG2 LYS 41 HG2 LYS 41 5.981 -22.075 16.193 355 HG3 LYS 41 HG1 LYS 41 7.369 -22.725 15.330 356 HD2 LYS 41 HD2 LYS 41 7.152 -19.879 16.323 357 HD3 LYS 41 HD1 LYS 41 7.936 -21.183 17.210 358 HE2 LYS 41 HE2 LYS 41 9.453 -21.481 15.222 359 HE3 LYS 41 HE1 LYS 41 8.756 -20.001 14.563 360 HZ1 LYS 41 HZ1 LYS 41 10.801 -19.536 15.740 361 HZ2 LYS 41 HZ2 LYS 41 10.192 -20.245 17.148 362 HZ3 LYS 41 HZ3 LYS 41 9.498 -18.825 16.552 363 H THR 42 HN THR 42 2.933 -21.564 14.314 364 HA THR 42 HA THR 42 2.370 -20.883 17.120 365 HB THR 42 HB THR 42 0.500 -20.496 15.519 366 HG1 THR 42 HG1 THR 42 -0.902 -21.054 17.000 367 HG21 THR 42 HG21 THR 42 0.541 -23.485 15.145 368 HG22 THR 42 HG22 THR 42 0.875 -22.260 13.917 369 HG23 THR 42 HG23 THR 42 -0.744 -22.411 14.603 370 H VAL 43 HN VAL 43 1.327 -22.752 18.393 371 HA VAL 43 HA VAL 43 3.206 -24.918 18.569 372 HB VAL 43 HB VAL 43 0.614 -24.597 20.117 373 HG11 VAL 43 HG11 VAL 43 1.781 -25.816 21.892 374 HG12 VAL 43 HG12 VAL 43 3.180 -26.004 20.837 375 HG13 VAL 43 HG13 VAL 43 1.650 -26.773 20.416 376 HG21 VAL 43 HG21 VAL 43 1.917 -23.413 21.830 377 HG22 VAL 43 HG22 VAL 43 1.867 -22.524 20.309 378 HG23 VAL 43 HG23 VAL 43 3.317 -23.422 20.760 379 H SER 44 HN SER 44 0.218 -24.445 16.934 380 HA SER 44 HA SER 44 -0.648 -27.173 16.803 381 HB2 SER 44 HB2 SER 44 -2.180 -25.225 16.579 382 HB3 SER 44 HB1 SER 44 -1.409 -24.820 15.049 383 HG SER 44 HG SER 44 -2.048 -27.241 14.659 384 H GLY 45 HN GLY 45 1.814 -25.435 15.182 385 HA2 GLY 45 HA2 GLY 45 3.441 -26.693 13.947 386 HA3 GLY 45 HA1 GLY 45 2.146 -27.715 13.355 387 H ALA 46 HN ALA 46 0.889 -24.745 13.088 388 HA ALA 46 HA ALA 46 1.623 -24.506 10.288 389 HB1 ALA 46 HB1 ALA 46 -0.741 -24.309 10.932 390 HB2 ALA 46 HB2 ALA 46 -0.148 -22.844 10.151 391 HB3 ALA 46 HB3 ALA 46 -0.347 -22.888 11.902 392 H ALA 47 HN ALA 47 2.609 -22.732 9.380 393 HA ALA 47 HA ALA 47 3.970 -20.934 11.259 394 HB1 ALA 47 HB1 ALA 47 5.847 -20.865 9.700 395 HB2 ALA 47 HB2 ALA 47 4.995 -21.969 8.623 396 HB3 ALA 47 HB3 ALA 47 5.513 -22.519 10.217 397 H PHE 48 HN PHE 48 4.264 -18.758 10.625 398 HA PHE 48 HA PHE 48 2.588 -17.842 8.381 399 HB2 PHE 48 HB2 PHE 48 2.532 -16.245 10.914 400 HB3 PHE 48 HB1 PHE 48 1.316 -16.366 9.656 401 HD1 PHE 48 HD1 PHE 48 -0.357 -18.120 9.725 402 HD2 PHE 48 HD2 PHE 48 2.598 -17.793 12.746 403 HE1 PHE 48 HE1 PHE 48 -1.660 -19.640 11.138 404 HE2 PHE 48 HE2 PHE 48 1.311 -19.296 14.172 405 HZ PHE 48 HZ PHE 48 -0.827 -20.230 13.379 406 H ALA 49 HN ALA 49 3.273 -15.901 7.485 407 HA ALA 49 HA ALA 49 5.674 -14.748 8.671 408 HB1 ALA 49 HB1 ALA 49 6.155 -16.003 6.569 409 HB2 ALA 49 HB2 ALA 49 6.607 -14.296 6.524 410 HB3 ALA 49 HB3 ALA 49 5.148 -14.840 5.709 411 H PHE 50 HN PHE 50 5.856 -12.647 8.750 412 HA PHE 50 HA PHE 50 3.434 -11.044 8.273 413 HB2 PHE 50 HB2 PHE 50 4.450 -11.660 10.641 414 HB3 PHE 50 HB1 PHE 50 5.608 -10.403 10.249 415 HD1 PHE 50 HD2 PHE 50 1.963 -11.032 10.537 416 HD2 PHE 50 HD1 PHE 50 5.138 -8.211 10.797 417 HE1 PHE 50 HE2 PHE 50 0.414 -9.381 11.499 418 HE2 PHE 50 HE1 PHE 50 3.596 -6.562 11.766 419 HZ PHE 50 HZ PHE 50 1.233 -7.148 12.120 420 H ILE 51 HN ILE 51 3.723 -9.577 6.661 421 HA ILE 51 HA ILE 51 6.514 -8.747 6.075 422 HB ILE 51 HB ILE 51 4.321 -8.897 3.979 423 HG12 ILE 51 HG12 ILE 51 6.010 -10.774 3.126 424 HG13 ILE 51 HG11 ILE 51 6.304 -10.952 4.849 425 HG21 ILE 51 HG21 ILE 51 6.829 -9.038 2.769 426 HG22 ILE 51 HG22 ILE 51 6.995 -7.806 4.020 427 HG23 ILE 51 HG23 ILE 51 5.740 -7.650 2.792 428 HD11 ILE 51 HD11 ILE 51 4.666 -12.543 4.166 429 HD12 ILE 51 HD12 ILE 51 3.693 -11.293 3.398 430 HD13 ILE 51 HD13 ILE 51 3.863 -11.321 5.154 431 H GLU 52 HN GLU 52 6.842 -6.690 6.593 432 HA GLU 52 HA GLU 52 4.567 -4.837 6.553 433 HB2 GLU 52 HB2 GLU 52 5.577 -5.724 8.759 434 HB3 GLU 52 HB1 GLU 52 6.909 -4.634 8.423 435 HG2 GLU 52 HG2 GLU 52 5.560 -2.747 8.642 436 HG3 GLU 52 HG1 GLU 52 4.063 -3.690 8.553 437 H PHE 53 HN PHE 53 4.786 -3.577 4.835 438 HA PHE 53 HA PHE 53 7.418 -2.445 4.187 439 HB2 PHE 53 HB2 PHE 53 6.216 -2.095 1.853 440 HB3 PHE 53 HB1 PHE 53 7.055 -3.577 2.255 441 HD1 PHE 53 HD2 PHE 53 3.652 -2.107 2.612 442 HD2 PHE 53 HD1 PHE 53 6.039 -5.532 1.811 443 HE1 PHE 53 HE2 PHE 53 1.629 -3.413 2.186 444 HE2 PHE 53 HE1 PHE 53 4.018 -6.832 1.387 445 HZ PHE 53 HZ PHE 53 1.809 -5.758 1.568 446 H GLU 54 HN GLU 54 7.357 -0.432 2.864 447 HA GLU 54 HA GLU 54 5.796 1.611 4.131 448 HB2 GLU 54 HB2 GLU 54 8.046 2.150 3.451 449 HB3 GLU 54 HB1 GLU 54 7.706 1.692 1.791 450 HG2 GLU 54 HG2 GLU 54 6.445 3.623 1.386 451 HG3 GLU 54 HG1 GLU 54 6.228 3.959 3.102 452 H ASP 55 HN ASP 55 5.662 0.018 0.891 453 HA ASP 55 HA ASP 55 3.174 1.556 0.468 454 HB2 ASP 55 HB2 ASP 55 5.347 0.864 -1.465 455 HB3 ASP 55 HB1 ASP 55 3.690 1.007 -2.053 456 H ALA 56 HN ALA 56 1.456 0.565 0.372 457 HA ALA 56 HA ALA 56 1.313 -2.271 0.568 458 HB1 ALA 56 HB1 ALA 56 -1.119 -0.588 0.367 459 HB2 ALA 56 HB2 ALA 56 -0.067 -0.406 1.765 460 HB3 ALA 56 HB3 ALA 56 -0.788 -1.974 1.403 461 H ARG 57 HN ARG 57 0.361 0.069 -1.890 462 HA ARG 57 HA ARG 57 -1.358 -1.754 -3.270 463 HB2 ARG 57 HB2 ARG 57 -1.546 0.088 -4.952 464 HB3 ARG 57 HB1 ARG 57 -1.954 0.550 -3.306 465 HG2 ARG 57 HG2 ARG 57 0.184 1.661 -3.049 466 HG3 ARG 57 HG1 ARG 57 0.687 1.123 -4.648 467 HD2 ARG 57 HD2 ARG 57 -1.710 2.867 -4.148 468 HD3 ARG 57 HD1 ARG 57 -0.110 3.494 -4.528 469 HE ARG 57 HE ARG 57 -0.938 1.604 -6.476 470 HH11 ARG 57 HH11 ARG 57 -1.426 4.929 -5.464 471 HH12 ARG 57 HH12 ARG 57 -1.880 5.477 -7.044 472 HH21 ARG 57 HH21 ARG 57 -1.522 2.333 -8.559 473 HH22 ARG 57 HH22 ARG 57 -1.931 3.996 -8.803 474 H ASP 58 HN ASP 58 1.990 -0.924 -3.594 475 HA ASP 58 HA ASP 58 2.234 -1.953 -6.264 476 HB2 ASP 58 HB2 ASP 58 3.976 -0.618 -4.306 477 HB3 ASP 58 HB1 ASP 58 4.792 -1.755 -5.380 478 H ALA 59 HN ALA 59 3.185 -3.027 -3.047 479 HA ALA 59 HA ALA 59 4.249 -5.547 -3.790 480 HB1 ALA 59 HB1 ALA 59 3.172 -4.597 -1.146 481 HB2 ALA 59 HB2 ALA 59 4.833 -4.431 -1.713 482 HB3 ALA 59 HB3 ALA 59 4.168 -6.030 -1.390 483 H ALA 60 HN ALA 60 1.065 -4.400 -3.201 484 HA ALA 60 HA ALA 60 -0.451 -6.665 -2.817 485 HB1 ALA 60 HB1 ALA 60 -1.334 -4.388 -2.729 486 HB2 ALA 60 HB2 ALA 60 -2.312 -5.445 -3.748 487 HB3 ALA 60 HB3 ALA 60 -1.211 -4.281 -4.488 488 H ASP 61 HN ASP 61 1.181 -5.752 -5.831 489 HA ASP 61 HA ASP 61 -0.166 -7.513 -7.587 490 HB2 ASP 61 HB2 ASP 61 2.343 -6.022 -7.595 491 HB3 ASP 61 HB1 ASP 61 2.408 -7.519 -8.527 492 H ALA 62 HN ALA 62 2.726 -8.028 -5.586 493 HA ALA 62 HA ALA 62 3.048 -10.770 -6.162 494 HB1 ALA 62 HB1 ALA 62 3.956 -9.211 -3.754 495 HB2 ALA 62 HB2 ALA 62 4.889 -9.550 -5.213 496 HB3 ALA 62 HB3 ALA 62 4.441 -10.860 -4.121 497 H ILE 63 HN ILE 63 1.237 -9.021 -3.637 498 HA ILE 63 HA ILE 63 0.407 -11.381 -2.314 499 HB ILE 63 HB ILE 63 0.294 -8.767 -1.621 500 HG12 ILE 63 HG12 ILE 63 0.309 -10.834 -0.181 501 HG13 ILE 63 HG11 ILE 63 -0.617 -9.489 0.454 502 HG21 ILE 63 HG21 ILE 63 -2.617 -9.482 -1.954 503 HG22 ILE 63 HG22 ILE 63 -1.739 -8.382 -3.014 504 HG23 ILE 63 HG23 ILE 63 -1.939 -7.986 -1.308 505 HD11 ILE 63 HD11 ILE 63 -1.701 -11.992 -0.807 506 HD12 ILE 63 HD12 ILE 63 -2.680 -10.602 -0.345 507 HD13 ILE 63 HD13 ILE 63 -1.801 -11.506 0.886 508 H LYS 64 HN LYS 64 -0.938 -9.696 -5.138 509 HA LYS 64 HA LYS 64 -3.270 -11.364 -5.078 510 HB2 LYS 64 HB2 LYS 64 -4.038 -10.324 -7.105 511 HB3 LYS 64 HB1 LYS 64 -3.521 -9.111 -5.950 512 HG2 LYS 64 HG2 LYS 64 -2.642 -8.237 -7.844 513 HG3 LYS 64 HG1 LYS 64 -1.287 -9.237 -7.332 514 HD2 LYS 64 HD2 LYS 64 -2.207 -11.050 -8.844 515 HD3 LYS 64 HD1 LYS 64 -3.299 -9.823 -9.498 516 HE2 LYS 64 HE2 LYS 64 -0.297 -9.590 -9.420 517 HE3 LYS 64 HE1 LYS 64 -1.211 -10.158 -10.815 518 HZ1 LYS 64 HZ1 LYS 64 -2.236 -8.060 -11.024 519 HZ2 LYS 64 HZ2 LYS 64 -0.571 -7.776 -10.864 520 HZ3 LYS 64 HZ3 LYS 64 -1.610 -7.517 -9.552 521 H GLU 65 HN GLU 65 -0.097 -11.662 -6.570 522 HA GLU 65 HA GLU 65 -1.064 -13.928 -8.093 523 HB2 GLU 65 HB2 GLU 65 1.212 -14.422 -8.718 524 HB3 GLU 65 HB1 GLU 65 0.880 -12.716 -8.963 525 HG2 GLU 65 HG2 GLU 65 2.105 -12.144 -7.045 526 HG3 GLU 65 HG1 GLU 65 2.300 -13.818 -6.561 527 H LYS 66 HN LYS 66 0.096 -13.490 -4.806 528 HA LYS 66 HA LYS 66 0.126 -16.402 -4.457 529 HB2 LYS 66 HB2 LYS 66 0.309 -14.361 -2.247 530 HB3 LYS 66 HB1 LYS 66 0.810 -16.038 -2.198 531 HG2 LYS 66 HG2 LYS 66 2.128 -13.885 -3.844 532 HG3 LYS 66 HG1 LYS 66 2.694 -14.449 -2.277 533 HD2 LYS 66 HD2 LYS 66 3.232 -16.604 -3.169 534 HD3 LYS 66 HD1 LYS 66 2.426 -16.240 -4.699 535 HE2 LYS 66 HE2 LYS 66 4.066 -14.495 -5.159 536 HE3 LYS 66 HE1 LYS 66 4.844 -14.797 -3.608 537 HZ1 LYS 66 HZ1 LYS 66 6.011 -15.815 -5.484 538 HZ2 LYS 66 HZ2 LYS 66 4.647 -16.766 -5.821 539 HZ3 LYS 66 HZ3 LYS 66 5.484 -16.972 -4.363 540 H ASP 67 HN ASP 67 -2.199 -14.063 -4.608 541 HA ASP 67 HA ASP 67 -4.126 -14.699 -2.650 542 HB2 ASP 67 HB2 ASP 67 -4.114 -12.592 -3.825 543 HB3 ASP 67 HB1 ASP 67 -4.470 -13.386 -5.347 544 H GLY 68 HN GLY 68 -6.345 -15.658 -3.049 545 HA2 GLY 68 HA2 GLY 68 -7.450 -17.543 -4.141 546 HA3 GLY 68 HA1 GLY 68 -5.864 -18.123 -4.592 547 H CYS 69 HN CYS 69 -6.534 -16.867 -1.408 548 HA CYS 69 HA CYS 69 -5.109 -18.916 -0.156 549 HB2 CYS 69 HB2 CYS 69 -5.955 -17.867 1.942 550 HB3 CYS 69 HB1 CYS 69 -5.300 -16.714 0.805 551 HG CYS 69 HG CYS 69 -8.616 -17.193 0.635 552 H ASP 70 HN ASP 70 -5.595 -20.729 0.862 553 HA ASP 70 HA ASP 70 -8.353 -21.666 0.858 554 HB2 ASP 70 HB2 ASP 70 -6.514 -22.317 -1.097 555 HB3 ASP 70 HB1 ASP 70 -6.475 -23.707 -0.015 556 H PHE 71 HN PHE 71 -8.839 -23.409 2.102 557 HA PHE 71 HA PHE 71 -7.051 -24.292 4.208 558 HB2 PHE 71 HB2 PHE 71 -8.857 -23.729 5.955 559 HB3 PHE 71 HB1 PHE 71 -7.805 -22.434 5.412 560 HD1 PHE 71 HD2 PHE 71 -11.223 -23.809 5.271 561 HD2 PHE 71 HD1 PHE 71 -8.683 -20.552 4.229 562 HE1 PHE 71 HE2 PHE 71 -13.198 -22.430 4.766 563 HE2 PHE 71 HE1 PHE 71 -10.652 -19.171 3.732 564 HZ PHE 71 HZ PHE 71 -12.913 -20.108 4.001 565 H GLU 72 HN GLU 72 -7.701 -26.238 5.242 566 HA GLU 72 HA GLU 72 -8.659 -28.239 5.533 567 HB2 GLU 72 HB2 GLU 72 -11.125 -26.969 4.400 568 HB3 GLU 72 HB1 GLU 72 -11.068 -28.656 4.888 569 HG2 GLU 72 HG2 GLU 72 -10.182 -27.674 7.144 570 HG3 GLU 72 HG1 GLU 72 -10.927 -26.190 6.551 571 H GLY 73 HN GLY 73 -6.993 -28.709 3.972 572 HA2 GLY 73 HA2 GLY 73 -6.583 -30.668 2.690 573 HA3 GLY 73 HA1 GLY 73 -8.133 -30.452 1.903 574 H ASN 74 HN ASN 74 -7.349 -27.479 1.561 575 HA ASN 74 HA ASN 74 -4.878 -27.825 0.004 576 HB2 ASN 74 HB2 ASN 74 -7.095 -25.805 -0.389 577 HB3 ASN 74 HB1 ASN 74 -5.491 -25.608 -1.085 578 HD21 ASN 74 HD21 ASN 74 -4.829 -26.996 -2.744 579 HD22 ASN 74 HD22 ASN 74 -5.969 -27.921 -3.650 580 H LYS 75 HN LYS 75 -3.187 -27.000 0.986 581 HA LYS 75 HA LYS 75 -3.572 -25.200 3.253 582 HB2 LYS 75 HB2 LYS 75 -1.470 -27.100 2.372 583 HB3 LYS 75 HB1 LYS 75 -0.913 -25.678 3.226 584 HG2 LYS 75 HG2 LYS 75 -1.117 -27.424 4.810 585 HG3 LYS 75 HG1 LYS 75 -2.440 -26.302 5.103 586 HD2 LYS 75 HD2 LYS 75 -3.190 -28.429 3.261 587 HD3 LYS 75 HD1 LYS 75 -2.638 -29.050 4.815 588 HE2 LYS 75 HE2 LYS 75 -4.789 -26.972 4.426 589 HE3 LYS 75 HE1 LYS 75 -5.068 -28.679 4.765 590 HZ1 LYS 75 HZ1 LYS 75 -3.669 -26.757 6.544 591 HZ2 LYS 75 HZ2 LYS 75 -3.895 -28.399 6.873 592 HZ3 LYS 75 HZ3 LYS 75 -5.230 -27.364 6.777 593 H LEU 76 HN LEU 76 -3.780 -23.046 2.486 594 HA LEU 76 HA LEU 76 -1.397 -21.839 1.406 595 HB2 LEU 76 HB2 LEU 76 -3.356 -22.845 -0.468 596 HB3 LEU 76 HB1 LEU 76 -3.239 -21.103 -0.600 597 HG LEU 76 HG LEU 76 -0.712 -22.695 -0.645 598 HD11 LEU 76 HD11 LEU 76 -0.937 -22.995 -3.082 599 HD12 LEU 76 HD12 LEU 76 -2.604 -22.419 -2.981 600 HD13 LEU 76 HD13 LEU 76 -2.138 -23.915 -2.177 601 HD21 LEU 76 HD21 LEU 76 -0.002 -20.920 -2.156 602 HD22 LEU 76 HD22 LEU 76 -0.657 -20.232 -0.668 603 HD23 LEU 76 HD23 LEU 76 -1.627 -20.235 -2.142 604 H ARG 77 HN ARG 77 -2.173 -20.585 3.564 605 HA ARG 77 HA ARG 77 -4.429 -18.826 2.860 606 HB2 ARG 77 HB2 ARG 77 -4.792 -19.806 4.966 607 HB3 ARG 77 HB1 ARG 77 -3.122 -19.608 5.450 608 HG2 ARG 77 HG2 ARG 77 -4.391 -18.126 6.768 609 HG3 ARG 77 HG1 ARG 77 -3.546 -17.133 5.579 610 HD2 ARG 77 HD2 ARG 77 -5.559 -16.970 4.247 611 HD3 ARG 77 HD1 ARG 77 -6.411 -18.048 5.357 612 HE ARG 77 HE ARG 77 -5.523 -16.039 6.961 613 HH11 ARG 77 HH11 ARG 77 -7.463 -16.053 4.038 614 HH12 ARG 77 HH12 ARG 77 -8.335 -14.613 4.458 615 HH21 ARG 77 HH22 ARG 77 -6.632 -14.096 7.489 616 HH22 ARG 77 HH21 ARG 77 -7.863 -13.498 6.426 617 H VAL 78 HN VAL 78 -3.807 -17.022 1.780 618 HA VAL 78 HA VAL 78 -1.616 -15.408 2.924 619 HB VAL 78 HB VAL 78 -2.279 -15.261 -0.023 620 HG11 VAL 78 HG11 VAL 78 -0.884 -13.535 1.180 621 HG12 VAL 78 HG12 VAL 78 -0.154 -14.255 -0.250 622 HG13 VAL 78 HG13 VAL 78 0.351 -14.785 1.348 623 HG21 VAL 78 HG21 VAL 78 -1.707 -17.634 0.428 624 HG22 VAL 78 HG22 VAL 78 -0.163 -17.101 1.088 625 HG23 VAL 78 HG23 VAL 78 -0.535 -16.819 -0.608 626 H GLU 79 HN GLU 79 -2.563 -13.498 3.729 627 HA GLU 79 HA GLU 79 -4.432 -12.134 2.000 628 HB2 GLU 79 HB2 GLU 79 -5.849 -13.636 3.497 629 HB3 GLU 79 HB1 GLU 79 -5.353 -12.611 4.838 630 HG2 GLU 79 HG2 GLU 79 -6.344 -10.663 3.671 631 HG3 GLU 79 HG1 GLU 79 -6.890 -11.750 2.391 632 H VAL 80 HN VAL 80 -4.530 -9.949 2.226 633 HA VAL 80 HA VAL 80 -2.748 -8.686 4.131 634 HB VAL 80 HB VAL 80 -3.299 -6.548 3.001 635 HG11 VAL 80 HG11 VAL 80 -1.482 -8.000 2.270 636 HG12 VAL 80 HG12 VAL 80 -2.165 -7.084 0.931 637 HG13 VAL 80 HG13 VAL 80 -2.569 -8.789 1.140 638 HG21 VAL 80 HG21 VAL 80 -4.969 -8.243 1.129 639 HG22 VAL 80 HG22 VAL 80 -4.571 -6.539 0.909 640 HG23 VAL 80 HG23 VAL 80 -5.596 -7.040 2.255 641 HA PRO 81 HA PRO 81 -6.256 -7.526 6.741 642 HB2 PRO 81 HB2 PRO 81 -4.797 -6.848 8.921 643 HB3 PRO 81 HB1 PRO 81 -5.173 -8.533 8.516 644 HG2 PRO 81 HG2 PRO 81 -2.648 -7.029 8.179 645 HG3 PRO 81 HG1 PRO 81 -2.904 -8.743 8.551 646 HD2 PRO 81 HD2 PRO 81 -2.258 -7.704 6.055 647 HD3 PRO 81 HD1 PRO 81 -2.924 -9.318 6.364 648 H PHE 82 HN PHE 82 -4.212 -5.657 4.996 649 HA PHE 82 HA PHE 82 -4.955 -3.217 6.432 650 HB2 PHE 82 HB2 PHE 82 -3.357 -2.000 4.935 651 HB3 PHE 82 HB1 PHE 82 -2.620 -3.165 6.011 652 HD1 PHE 82 HD2 PHE 82 -3.787 -2.821 2.477 653 HD2 PHE 82 HD1 PHE 82 -1.045 -4.601 5.180 654 HE1 PHE 82 HE2 PHE 82 -2.528 -3.735 0.588 655 HE2 PHE 82 HE1 PHE 82 0.226 -5.507 3.300 656 HZ PHE 82 HZ PHE 82 -0.511 -5.082 0.993 657 H ASN 83 HN ASN 83 -5.691 -4.967 3.575 658 HA ASN 83 HA ASN 83 -6.970 -4.649 1.744 659 HB2 ASN 83 HB2 ASN 83 -8.426 -3.172 3.867 660 HB3 ASN 83 HB1 ASN 83 -8.965 -2.934 2.204 661 HD21 ASN 83 HD21 ASN 83 -9.864 -4.647 1.091 662 HD22 ASN 83 HD22 ASN 83 -10.371 -6.101 1.871 663 H ALA 84 HN ALA 84 -5.053 -3.666 0.784 664 HA ALA 84 HA ALA 84 -3.973 -2.245 -0.583 665 HB1 ALA 84 HB1 ALA 84 -5.214 -0.698 -1.949 666 HB2 ALA 84 HB2 ALA 84 -6.590 -0.766 -0.848 667 HB3 ALA 84 HB3 ALA 84 -6.127 -2.196 -1.776 668 H ARG 85 HN ARG 85 -3.808 0.435 -1.023 669 HA ARG 85 HA ARG 85 -3.134 1.441 1.646 670 HB2 ARG 85 HB2 ARG 85 -1.343 1.304 -0.126 671 HB3 ARG 85 HB1 ARG 85 -2.221 2.511 -1.034 672 HG2 ARG 85 HG2 ARG 85 -1.567 4.215 0.323 673 HG3 ARG 85 HG1 ARG 85 -1.482 3.187 1.760 674 HD2 ARG 85 HD2 ARG 85 0.645 2.451 1.260 675 HD3 ARG 85 HD1 ARG 85 0.432 2.701 -0.470 676 HE ARG 85 HE ARG 85 1.045 4.934 -0.225 677 HH11 ARG 85 HH12 ARG 85 0.990 3.394 2.938 678 HH12 ARG 85 HH11 ARG 85 1.869 4.668 3.704 679 HH21 ARG 85 HH21 ARG 85 2.221 6.610 0.809 680 HH22 ARG 85 HH22 ARG 85 2.574 6.507 2.500 681 H GLU 86 HN GLU 86 -5.386 1.850 2.037 682 HA GLU 86 HA GLU 86 -6.884 3.666 0.439 683 HB2 GLU 86 HB2 GLU 86 -7.877 1.893 1.952 684 HB3 GLU 86 HB1 GLU 86 -7.477 2.938 3.307 685 HG2 GLU 86 HG2 GLU 86 -8.893 4.721 2.287 686 HG3 GLU 86 HG1 GLU 86 -9.355 3.564 1.041 Start of MODEL 14 1 H1 GLY -2 HT1 GLY -2 -15.276 4.001 -2.674 2 H2 GLY -2 HT2 GLY -2 -14.775 4.755 -4.104 3 H3 GLY -2 HT3 GLY -2 -16.183 5.272 -3.326 4 HA2 GLY -2 HA1 GLY -2 -14.334 6.801 -2.945 5 HA3 GLY -2 HA2 GLY -2 -14.932 6.081 -1.454 6 H SER -1 HN SER -1 -12.320 7.209 -1.848 7 HA SER -1 HA SER -1 -10.632 4.811 -1.765 8 HB2 SER -1 HB2 SER -1 -9.871 7.671 -2.402 9 HB3 SER -1 HB1 SER -1 -8.734 6.330 -2.298 10 HG SER -1 HG SER -1 -9.272 5.764 -4.220 11 H HIS 0 HN HIS 0 -10.025 8.070 -0.513 12 HA HIS 0 HA HIS 0 -9.432 8.946 1.477 13 HB2 HIS 0 HB2 HIS 0 -10.592 6.519 2.866 14 HB3 HIS 0 HB1 HIS 0 -10.236 8.082 3.585 15 HD1 HIS 0 HD1 HIS 0 -11.739 10.102 2.207 16 HD2 HIS 0 HD2 HIS 0 -13.207 6.223 2.439 17 HE1 HIS 0 HE1 HIS 0 -14.215 10.295 1.825 18 HE2 HIS 0 HE2 HIS 0 -15.100 7.960 2.183 19 H MET 1 HN MET 1 -7.234 8.868 1.155 20 HA MET 1 HA MET 1 -5.825 6.440 2.031 21 HB2 MET 1 HB2 MET 1 -4.595 8.729 0.486 22 HB3 MET 1 HB1 MET 1 -3.955 7.108 0.688 23 HG2 MET 1 HG2 MET 1 -4.735 6.941 -1.436 24 HG3 MET 1 HG1 MET 1 -6.181 6.456 -0.552 25 HE1 MET 1 HE1 MET 1 -5.533 10.536 -2.607 26 HE2 MET 1 HE2 MET 1 -4.435 9.162 -2.706 27 HE3 MET 1 HE3 MET 1 -4.576 10.073 -1.201 28 H VAL 2 HN VAL 2 -3.815 6.708 3.215 29 HA VAL 2 HA VAL 2 -2.356 7.514 4.754 30 HB VAL 2 HB VAL 2 -3.616 10.249 4.370 31 HG11 VAL 2 HG11 VAL 2 -1.636 11.149 5.498 32 HG12 VAL 2 HG12 VAL 2 -1.054 9.512 5.796 33 HG13 VAL 2 HG13 VAL 2 -2.535 10.075 6.568 34 HG21 VAL 2 HG21 VAL 2 -1.596 10.755 3.081 35 HG22 VAL 2 HG22 VAL 2 -2.506 9.424 2.362 36 HG23 VAL 2 HG23 VAL 2 -1.045 9.093 3.294 37 H ILE 3 HN ILE 3 -5.381 9.267 5.414 38 HA ILE 3 HA ILE 3 -6.907 9.220 7.056 39 HB ILE 3 HB ILE 3 -5.696 6.603 7.980 40 HG12 ILE 3 HG12 ILE 3 -6.406 6.473 5.626 41 HG13 ILE 3 HG11 ILE 3 -7.446 5.500 6.655 42 HG21 ILE 3 HG21 ILE 3 -8.413 7.812 8.510 43 HG22 ILE 3 HG22 ILE 3 -7.127 7.548 9.684 44 HG23 ILE 3 HG23 ILE 3 -7.939 6.169 8.943 45 HD11 ILE 3 HD11 ILE 3 -9.135 7.298 6.583 46 HD12 ILE 3 HD12 ILE 3 -8.756 6.634 4.993 47 HD13 ILE 3 HD13 ILE 3 -8.090 8.192 5.478 48 H ARG 4 HN ARG 4 -4.451 7.673 9.162 49 HA ARG 4 HA ARG 4 -3.588 10.143 10.285 50 HB2 ARG 4 HB2 ARG 4 -4.501 9.765 12.601 51 HB3 ARG 4 HB1 ARG 4 -5.710 10.204 11.410 52 HG2 ARG 4 HG2 ARG 4 -5.690 7.415 11.406 53 HG3 ARG 4 HG1 ARG 4 -5.559 7.870 13.106 54 HD2 ARG 4 HD2 ARG 4 -7.651 8.921 11.195 55 HD3 ARG 4 HD1 ARG 4 -7.907 7.599 12.327 56 HE ARG 4 HE ARG 4 -7.038 9.729 13.839 57 HH11 ARG 4 HH12 ARG 4 -9.789 9.094 11.719 58 HH12 ARG 4 HH11 ARG 4 -10.845 10.167 12.580 59 HH21 ARG 4 HH21 ARG 4 -8.456 11.109 14.965 60 HH22 ARG 4 HH22 ARG 4 -10.091 11.306 14.420 61 H GLU 5 HN GLU 5 -2.080 8.368 9.166 62 HA GLU 5 HA GLU 5 -0.047 7.412 9.328 63 HB2 GLU 5 HB2 GLU 5 -0.006 8.896 11.538 64 HB3 GLU 5 HB1 GLU 5 0.010 7.317 12.307 65 HG2 GLU 5 HG2 GLU 5 2.261 8.006 12.101 66 HG3 GLU 5 HG1 GLU 5 2.004 6.754 10.887 67 H SER 6 HN SER 6 0.330 5.345 8.860 68 HA SER 6 HA SER 6 -0.612 3.205 10.591 69 HB2 SER 6 HB2 SER 6 -2.183 4.033 8.370 70 HB3 SER 6 HB1 SER 6 -1.458 2.481 7.950 71 HG SER 6 HG SER 6 -3.212 3.130 10.047 72 H VAL 7 HN VAL 7 0.100 1.054 9.827 73 HA VAL 7 HA VAL 7 2.532 1.191 8.165 74 HB VAL 7 HB VAL 7 3.291 -0.912 9.364 75 HG11 VAL 7 HG11 VAL 7 4.167 0.293 11.307 76 HG12 VAL 7 HG12 VAL 7 3.029 1.604 11.002 77 HG13 VAL 7 HG13 VAL 7 4.295 1.245 9.829 78 HG21 VAL 7 HG21 VAL 7 2.397 -1.323 11.614 79 HG22 VAL 7 HG22 VAL 7 1.191 -1.610 10.364 80 HG23 VAL 7 HG23 VAL 7 1.131 -0.132 11.328 81 H SER 8 HN SER 8 2.602 -0.026 6.359 82 HA SER 8 HA SER 8 0.260 -1.606 5.699 83 HB2 SER 8 HB2 SER 8 1.176 -0.034 4.053 84 HB3 SER 8 HB1 SER 8 2.724 -0.876 4.089 85 HG SER 8 HG SER 8 1.895 -2.496 2.975 86 H ARG 9 HN ARG 9 0.139 -3.723 6.045 87 HA ARG 9 HA ARG 9 2.521 -5.387 5.903 88 HB2 ARG 9 HB2 ARG 9 2.105 -6.412 8.091 89 HB3 ARG 9 HB1 ARG 9 2.423 -4.693 8.237 90 HG2 ARG 9 HG2 ARG 9 -0.088 -4.369 8.336 91 HG3 ARG 9 HG1 ARG 9 -0.202 -6.120 8.531 92 HD2 ARG 9 HD2 ARG 9 1.558 -5.734 10.421 93 HD3 ARG 9 HD1 ARG 9 0.963 -4.076 10.373 94 HE ARG 9 HE ARG 9 -1.227 -5.833 10.528 95 HH11 ARG 9 HH11 ARG 9 1.399 -4.632 12.538 96 HH12 ARG 9 HH12 ARG 9 0.538 -4.873 14.022 97 HH21 ARG 9 HH22 ARG 9 -2.330 -6.202 12.497 98 HH22 ARG 9 HH21 ARG 9 -1.581 -5.766 13.997 99 H ILE 10 HN ILE 10 2.118 -7.631 5.628 100 HA ILE 10 HA ILE 10 -0.645 -8.309 4.853 101 HB ILE 10 HB ILE 10 1.948 -9.253 3.606 102 HG12 ILE 10 HG12 ILE 10 -0.507 -7.895 2.518 103 HG13 ILE 10 HG11 ILE 10 1.043 -7.147 2.825 104 HG21 ILE 10 HG21 ILE 10 0.677 -10.769 2.172 105 HG22 ILE 10 HG22 ILE 10 -0.817 -10.349 3.012 106 HG23 ILE 10 HG23 ILE 10 0.464 -11.211 3.866 107 HD11 ILE 10 HD11 ILE 10 0.641 -7.578 0.449 108 HD12 ILE 10 HD12 ILE 10 0.549 -9.305 0.792 109 HD13 ILE 10 HD13 ILE 10 2.057 -8.433 1.057 110 H TYR 11 HN TYR 11 -1.593 -10.069 5.652 111 HA TYR 11 HA TYR 11 -0.111 -11.604 7.677 112 HB2 TYR 11 HB2 TYR 11 -2.206 -10.336 8.353 113 HB3 TYR 11 HB1 TYR 11 -3.115 -11.424 7.318 114 HD1 TYR 11 HD2 TYR 11 -3.359 -13.832 7.962 115 HD2 TYR 11 HD1 TYR 11 -1.421 -11.018 10.503 116 HE1 TYR 11 HE2 TYR 11 -3.582 -15.389 9.847 117 HE2 TYR 11 HE1 TYR 11 -1.643 -12.574 12.395 118 HH TYR 11 HH TYR 11 -2.477 -15.829 12.000 119 H VAL 12 HN VAL 12 0.592 -13.437 6.983 120 HA VAL 12 HA VAL 12 -1.048 -15.062 5.172 121 HB VAL 12 HB VAL 12 1.968 -15.178 5.537 122 HG11 VAL 12 HG11 VAL 12 0.154 -16.703 3.689 123 HG12 VAL 12 HG12 VAL 12 1.127 -17.354 5.006 124 HG13 VAL 12 HG13 VAL 12 1.912 -16.690 3.572 125 HG21 VAL 12 HG21 VAL 12 1.461 -13.201 4.289 126 HG22 VAL 12 HG22 VAL 12 0.322 -14.074 3.268 127 HG23 VAL 12 HG23 VAL 12 2.048 -14.417 3.153 128 H GLY 13 HN GLY 13 -1.748 -16.962 6.039 129 HA2 GLY 13 HA2 GLY 13 -0.222 -18.185 8.220 130 HA3 GLY 13 HA1 GLY 13 -1.944 -17.925 8.431 131 H ASN 14 HN ASN 14 -0.698 -20.463 8.549 132 HA ASN 14 HA ASN 14 -0.980 -22.621 7.877 133 HB2 ASN 14 HB2 ASN 14 -3.290 -21.322 6.472 134 HB3 ASN 14 HB1 ASN 14 -2.950 -23.028 6.225 135 HD21 ASN 14 HD21 ASN 14 -5.215 -21.637 7.455 136 HD22 ASN 14 HD22 ASN 14 -5.362 -22.274 9.053 137 H LEU 15 HN LEU 15 0.872 -20.900 6.394 138 HA LEU 15 HA LEU 15 0.609 -21.599 3.607 139 HB2 LEU 15 HB2 LEU 15 1.383 -19.409 4.022 140 HB3 LEU 15 HB1 LEU 15 2.554 -19.953 5.201 141 HG LEU 15 HG LEU 15 3.328 -21.161 2.790 142 HD11 LEU 15 HD11 LEU 15 1.830 -19.555 1.630 143 HD12 LEU 15 HD12 LEU 15 3.533 -19.373 1.211 144 HD13 LEU 15 HD13 LEU 15 2.776 -18.237 2.327 145 HD21 LEU 15 HD21 LEU 15 5.268 -19.677 3.015 146 HD22 LEU 15 HD22 LEU 15 4.801 -20.406 4.550 147 HD23 LEU 15 HD23 LEU 15 4.389 -18.725 4.212 148 HA PRO 16 HA PRO 16 3.502 -25.083 3.894 149 HB2 PRO 16 HB2 PRO 16 3.267 -25.826 1.280 150 HB3 PRO 16 HB1 PRO 16 2.104 -26.323 2.527 151 HG2 PRO 16 HG2 PRO 16 1.860 -24.216 0.453 152 HG3 PRO 16 HG1 PRO 16 0.628 -25.316 1.104 153 HD2 PRO 16 HD2 PRO 16 0.899 -22.677 1.836 154 HD3 PRO 16 HD1 PRO 16 0.127 -23.925 2.835 155 H SER 17 HN SER 17 5.595 -25.401 2.949 156 HA SER 17 HA SER 17 7.268 -23.509 3.455 157 HB2 SER 17 HB2 SER 17 7.699 -25.382 1.136 158 HB3 SER 17 HB1 SER 17 8.978 -24.488 1.961 159 HG SER 17 HG SER 17 8.442 -25.593 3.868 160 H HIS 18 HN HIS 18 7.238 -23.859 -0.101 161 HA HIS 18 HA HIS 18 7.506 -22.396 -1.802 162 HB2 HIS 18 HB2 HIS 18 5.112 -22.061 -1.337 163 HB3 HIS 18 HB1 HIS 18 5.485 -20.777 -0.207 164 HD1 HIS 18 HD1 HIS 18 7.348 -20.701 -3.446 165 HD2 HIS 18 HD2 HIS 18 3.883 -19.055 -1.824 166 HE1 HIS 18 HE1 HIS 18 6.700 -18.825 -4.986 167 HE2 HIS 18 HE2 HIS 18 4.519 -17.952 -4.093 168 H VAL 19 HN VAL 19 6.990 -19.660 0.324 169 HA VAL 19 HA VAL 19 9.733 -18.803 -0.160 170 HB VAL 19 HB VAL 19 8.816 -16.545 0.741 171 HG11 VAL 19 HG11 VAL 19 9.434 -16.896 -1.571 172 HG12 VAL 19 HG12 VAL 19 7.952 -15.945 -1.486 173 HG13 VAL 19 HG13 VAL 19 7.877 -17.658 -1.908 174 HG21 VAL 19 HG21 VAL 19 6.163 -17.805 -0.033 175 HG22 VAL 19 HG22 VAL 19 6.443 -16.127 0.437 176 HG23 VAL 19 HG23 VAL 19 6.660 -17.418 1.618 177 H SER 20 HN SER 20 11.142 -19.136 1.408 178 HA SER 20 HA SER 20 10.367 -19.318 4.223 179 HB2 SER 20 HB2 SER 20 13.099 -19.441 2.889 180 HB3 SER 20 HB1 SER 20 12.757 -19.829 4.576 181 HG SER 20 HG SER 20 11.094 -21.285 3.257 182 H SER 21 HN SER 21 12.206 -17.876 5.655 183 HA SER 21 HA SER 21 11.094 -15.363 5.715 184 HB2 SER 21 HB2 SER 21 13.871 -16.047 6.661 185 HB3 SER 21 HB1 SER 21 12.846 -14.750 7.272 186 HG SER 21 HG SER 21 12.646 -16.472 8.657 187 H ARG 22 HN ARG 22 14.303 -16.098 4.351 188 HA ARG 22 HA ARG 22 14.979 -13.539 3.370 189 HB2 ARG 22 HB2 ARG 22 16.697 -15.157 3.701 190 HB3 ARG 22 HB1 ARG 22 15.874 -16.344 2.708 191 HG2 ARG 22 HG2 ARG 22 16.562 -13.939 1.221 192 HG3 ARG 22 HG1 ARG 22 17.968 -14.724 1.933 193 HD2 ARG 22 HD2 ARG 22 17.927 -16.299 0.342 194 HD3 ARG 22 HD1 ARG 22 16.267 -16.717 0.758 195 HE ARG 22 HE ARG 22 15.497 -15.426 -0.992 196 HH11 ARG 22 HH11 ARG 22 18.981 -14.995 -0.682 197 HH12 ARG 22 HH12 ARG 22 19.132 -14.192 -2.210 198 HH21 ARG 22 HH22 ARG 22 15.720 -14.328 -2.976 199 HH22 ARG 22 HH21 ARG 22 17.288 -13.816 -3.509 200 H ASP 23 HN ASP 23 13.259 -16.222 1.915 201 HA ASP 23 HA ASP 23 13.170 -15.124 -0.731 202 HB2 ASP 23 HB2 ASP 23 12.845 -17.648 0.377 203 HB3 ASP 23 HB1 ASP 23 11.228 -17.217 -0.180 204 H VAL 24 HN VAL 24 10.954 -15.240 2.035 205 HA VAL 24 HA VAL 24 8.706 -14.015 0.831 206 HB VAL 24 HB VAL 24 9.621 -13.646 3.714 207 HG11 VAL 24 HG11 VAL 24 7.925 -12.043 3.041 208 HG12 VAL 24 HG12 VAL 24 7.269 -13.204 4.197 209 HG13 VAL 24 HG13 VAL 24 6.892 -13.356 2.480 210 HG21 VAL 24 HG21 VAL 24 8.123 -15.427 4.334 211 HG22 VAL 24 HG22 VAL 24 9.327 -16.025 3.189 212 HG23 VAL 24 HG23 VAL 24 7.683 -15.678 2.648 213 H GLU 25 HN GLU 25 11.547 -12.738 2.521 214 HA GLU 25 HA GLU 25 11.039 -10.015 2.357 215 HB2 GLU 25 HB2 GLU 25 12.818 -10.992 3.726 216 HB3 GLU 25 HB1 GLU 25 13.697 -11.456 2.274 217 HG2 GLU 25 HG2 GLU 25 13.155 -8.652 2.195 218 HG3 GLU 25 HG1 GLU 25 13.904 -9.065 3.735 219 H ASN 26 HN ASN 26 12.795 -12.064 -0.018 220 HA ASN 26 HA ASN 26 13.422 -9.848 -1.715 221 HB2 ASN 26 HB2 ASN 26 14.812 -11.913 -1.474 222 HB3 ASN 26 HB1 ASN 26 13.573 -12.788 -2.374 223 HD21 ASN 26 HD21 ASN 26 15.992 -10.268 -2.543 224 HD22 ASN 26 HD22 ASN 26 16.142 -10.261 -4.266 225 H GLU 27 HN GLU 27 11.093 -12.503 -1.920 226 HA GLU 27 HA GLU 27 9.914 -12.025 -4.415 227 HB2 GLU 27 HB2 GLU 27 9.447 -14.064 -3.115 228 HB3 GLU 27 HB1 GLU 27 8.630 -13.113 -1.890 229 HG2 GLU 27 HG2 GLU 27 6.857 -13.994 -3.042 230 HG3 GLU 27 HG1 GLU 27 7.048 -12.445 -3.858 231 H PHE 28 HN PHE 28 9.036 -10.804 -1.190 232 HA PHE 28 HA PHE 28 6.959 -9.184 -2.321 233 HB2 PHE 28 HB2 PHE 28 8.006 -9.506 0.457 234 HB3 PHE 28 HB1 PHE 28 6.914 -8.183 0.056 235 HD1 PHE 28 HD1 PHE 28 7.234 -11.832 0.341 236 HD2 PHE 28 HD2 PHE 28 4.596 -8.585 -0.419 237 HE1 PHE 28 HE1 PHE 28 5.318 -13.330 0.636 238 HE2 PHE 28 HE2 PHE 28 2.671 -10.087 -0.122 239 HZ PHE 28 HZ PHE 28 3.030 -12.456 0.416 240 H ARG 29 HN ARG 29 10.377 -8.669 -1.618 241 HA ARG 29 HA ARG 29 10.146 -5.823 -1.564 242 HB2 ARG 29 HB2 ARG 29 12.439 -5.614 -1.333 243 HB3 ARG 29 HB1 ARG 29 12.097 -7.150 -0.578 244 HG2 ARG 29 HG2 ARG 29 14.008 -7.679 -1.674 245 HG3 ARG 29 HG1 ARG 29 12.838 -8.106 -2.919 246 HD2 ARG 29 HD2 ARG 29 14.991 -6.654 -3.463 247 HD3 ARG 29 HD1 ARG 29 13.464 -6.396 -4.294 248 HE ARG 29 HE ARG 29 13.159 -4.397 -3.116 249 HH11 ARG 29 HH11 ARG 29 16.190 -5.902 -2.168 250 HH12 ARG 29 HH12 ARG 29 16.817 -4.461 -1.442 251 HH21 ARG 29 HH21 ARG 29 13.987 -2.516 -2.172 252 HH22 ARG 29 HH22 ARG 29 15.561 -2.534 -1.446 253 H LYS 30 HN LYS 30 10.539 -8.126 -4.228 254 HA LYS 30 HA LYS 30 11.309 -6.078 -6.065 255 HB2 LYS 30 HB2 LYS 30 10.975 -7.563 -7.858 256 HB3 LYS 30 HB1 LYS 30 11.554 -8.553 -6.536 257 HG2 LYS 30 HG2 LYS 30 9.807 -9.903 -6.756 258 HG3 LYS 30 HG1 LYS 30 8.702 -8.557 -6.485 259 HD2 LYS 30 HD2 LYS 30 9.927 -9.194 -9.168 260 HD3 LYS 30 HD1 LYS 30 8.364 -9.810 -8.648 261 HE2 LYS 30 HE2 LYS 30 7.584 -7.474 -8.382 262 HE3 LYS 30 HE1 LYS 30 9.127 -6.908 -9.014 263 HZ1 LYS 30 HZ1 LYS 30 7.401 -6.948 -10.708 264 HZ2 LYS 30 HZ2 LYS 30 7.186 -8.610 -10.483 265 HZ3 LYS 30 HZ3 LYS 30 8.649 -8.025 -11.093 266 H TYR 31 HN TYR 31 8.177 -7.034 -4.815 267 HA TYR 31 HA TYR 31 6.793 -5.435 -6.809 268 HB2 TYR 31 HB2 TYR 31 5.702 -7.005 -4.455 269 HB3 TYR 31 HB1 TYR 31 4.719 -6.123 -5.612 270 HD1 TYR 31 HD1 TYR 31 4.549 -6.932 -7.972 271 HD2 TYR 31 HD2 TYR 31 6.586 -9.157 -4.976 272 HE1 TYR 31 HE1 TYR 31 4.404 -8.953 -9.375 273 HE2 TYR 31 HE2 TYR 31 6.453 -11.172 -6.363 274 HH TYR 31 HH TYR 31 5.191 -12.088 -8.149 275 H GLY 32 HN GLY 32 7.619 -5.268 -3.370 276 HA2 GLY 32 HA2 GLY 32 7.167 -2.396 -3.429 277 HA3 GLY 32 HA1 GLY 32 6.191 -3.310 -2.282 278 H ASN 33 HN ASN 33 8.270 -1.273 -1.743 279 HA ASN 33 HA ASN 33 10.677 -2.660 -1.010 280 HB2 ASN 33 HB2 ASN 33 9.765 0.167 -0.761 281 HB3 ASN 33 HB1 ASN 33 11.153 -0.372 0.173 282 HD21 ASN 33 HD21 ASN 33 10.993 1.584 -1.934 283 HD22 ASN 33 HD22 ASN 33 12.068 1.051 -3.184 284 H ILE 34 HN ILE 34 10.717 -4.019 0.572 285 HA ILE 34 HA ILE 34 8.958 -3.863 2.827 286 HB ILE 34 HB ILE 34 9.257 -6.038 1.952 287 HG12 ILE 34 HG12 ILE 34 9.526 -5.653 4.596 288 HG13 ILE 34 HG11 ILE 34 9.502 -7.252 3.872 289 HG21 ILE 34 HG21 ILE 34 12.230 -5.741 2.273 290 HG22 ILE 34 HG22 ILE 34 11.324 -5.702 0.763 291 HG23 ILE 34 HG23 ILE 34 11.382 -7.185 1.714 292 HD11 ILE 34 HD11 ILE 34 11.896 -7.429 4.051 293 HD12 ILE 34 HD12 ILE 34 11.265 -6.908 5.615 294 HD13 ILE 34 HD13 ILE 34 12.030 -5.741 4.540 295 H LEU 35 HN LEU 35 9.284 -3.143 4.748 296 HA LEU 35 HA LEU 35 11.839 -1.984 5.494 297 HB2 LEU 35 HB2 LEU 35 9.186 -1.863 6.929 298 HB3 LEU 35 HB1 LEU 35 10.598 -0.884 7.267 299 HG LEU 35 HG LEU 35 8.982 -0.751 4.712 300 HD11 LEU 35 HD11 LEU 35 7.694 0.061 6.600 301 HD12 LEU 35 HD12 LEU 35 8.199 1.407 5.576 302 HD13 LEU 35 HD13 LEU 35 9.035 1.094 7.096 303 HD21 LEU 35 HD21 LEU 35 11.242 0.970 5.735 304 HD22 LEU 35 HD22 LEU 35 10.271 1.312 4.304 305 HD23 LEU 35 HD23 LEU 35 11.298 -0.120 4.350 306 H LYS 36 HN LYS 36 9.423 -4.242 6.911 307 HA LYS 36 HA LYS 36 11.644 -5.775 8.014 308 HB2 LYS 36 HB2 LYS 36 10.970 -5.794 10.256 309 HB3 LYS 36 HB1 LYS 36 10.718 -4.126 9.791 310 HG2 LYS 36 HG2 LYS 36 8.735 -4.374 10.796 311 HG3 LYS 36 HG1 LYS 36 8.262 -5.199 9.315 312 HD2 LYS 36 HD2 LYS 36 9.229 -7.318 10.483 313 HD3 LYS 36 HD1 LYS 36 9.037 -6.374 11.962 314 HE2 LYS 36 HE2 LYS 36 6.854 -6.994 9.972 315 HE3 LYS 36 HE1 LYS 36 7.097 -7.835 11.499 316 HZ1 LYS 36 HZ1 LYS 36 6.368 -4.973 11.139 317 HZ2 LYS 36 HZ2 LYS 36 6.745 -5.686 12.629 318 HZ3 LYS 36 HZ3 LYS 36 5.391 -6.205 11.763 319 H CYS 37 HN CYS 37 11.266 -7.962 8.177 320 HA CYS 37 HA CYS 37 8.600 -8.926 7.403 321 HB2 CYS 37 HB2 CYS 37 10.586 -8.953 5.594 322 HB3 CYS 37 HB1 CYS 37 10.993 -10.432 6.456 323 HG CYS 37 HG CYS 37 9.639 -11.381 4.377 324 H ASP 38 HN ASP 38 7.855 -10.338 8.886 325 HA ASP 38 HA ASP 38 9.840 -11.752 10.526 326 HB2 ASP 38 HB2 ASP 38 8.964 -9.705 11.653 327 HB3 ASP 38 HB1 ASP 38 7.363 -10.431 11.611 328 H VAL 39 HN VAL 39 9.499 -13.868 10.708 329 HA VAL 39 HA VAL 39 6.915 -14.949 9.796 330 HB VAL 39 HB VAL 39 9.654 -16.263 9.742 331 HG11 VAL 39 HG11 VAL 39 8.617 -18.062 8.449 332 HG12 VAL 39 HG12 VAL 39 7.035 -17.307 8.653 333 HG13 VAL 39 HG13 VAL 39 7.897 -17.941 10.056 334 HG21 VAL 39 HG21 VAL 39 7.938 -15.188 7.501 335 HG22 VAL 39 HG22 VAL 39 9.429 -16.104 7.289 336 HG23 VAL 39 HG23 VAL 39 9.470 -14.523 8.069 337 H LYS 40 HN LYS 40 5.668 -15.883 11.281 338 HA LYS 40 HA LYS 40 6.849 -16.702 13.862 339 HB2 LYS 40 HB2 LYS 40 3.987 -15.947 13.223 340 HB3 LYS 40 HB1 LYS 40 4.577 -16.432 14.801 341 HG2 LYS 40 HG2 LYS 40 5.399 -13.949 13.302 342 HG3 LYS 40 HG1 LYS 40 4.247 -14.016 14.635 343 HD2 LYS 40 HD2 LYS 40 6.150 -15.022 16.005 344 HD3 LYS 40 HD1 LYS 40 7.212 -14.505 14.693 345 HE2 LYS 40 HE2 LYS 40 6.174 -12.196 14.976 346 HE3 LYS 40 HE1 LYS 40 5.501 -12.805 16.488 347 HZ1 LYS 40 HZ1 LYS 40 8.380 -12.662 15.785 348 HZ2 LYS 40 HZ2 LYS 40 7.764 -13.291 17.234 349 HZ3 LYS 40 HZ3 LYS 40 7.573 -11.649 16.868 350 H LYS 41 HN LYS 41 6.012 -18.673 14.874 351 HA LYS 41 HA LYS 41 4.386 -20.362 13.126 352 HB2 LYS 41 HB2 LYS 41 5.685 -22.297 13.412 353 HB3 LYS 41 HB1 LYS 41 6.854 -21.034 13.108 354 HG2 LYS 41 HG2 LYS 41 6.201 -22.074 15.865 355 HG3 LYS 41 HG1 LYS 41 7.485 -22.721 14.856 356 HD2 LYS 41 HD2 LYS 41 7.334 -19.859 15.819 357 HD3 LYS 41 HD1 LYS 41 8.274 -21.132 16.598 358 HE2 LYS 41 HE2 LYS 41 9.479 -21.427 14.402 359 HE3 LYS 41 HE1 LYS 41 8.666 -19.966 13.847 360 HZ1 LYS 41 HZ1 LYS 41 10.816 -19.385 14.661 361 HZ2 LYS 41 HZ2 LYS 41 10.559 -20.191 16.121 362 HZ3 LYS 41 HZ3 LYS 41 9.681 -18.793 15.766 363 H THR 42 HN THR 42 2.883 -21.736 14.141 364 HA THR 42 HA THR 42 2.484 -21.214 17.011 365 HB THR 42 HB THR 42 0.523 -20.731 15.563 366 HG1 THR 42 HG1 THR 42 -0.396 -21.226 17.391 367 HG21 THR 42 HG21 THR 42 0.557 -23.684 14.954 368 HG22 THR 42 HG22 THR 42 0.846 -22.370 13.814 369 HG23 THR 42 HG23 THR 42 -0.747 -22.567 14.542 370 H VAL 43 HN VAL 43 1.622 -23.091 18.272 371 HA VAL 43 HA VAL 43 3.413 -25.318 18.108 372 HB VAL 43 HB VAL 43 2.218 -26.165 20.132 373 HG11 VAL 43 HG11 VAL 43 3.109 -23.287 20.263 374 HG12 VAL 43 HG12 VAL 43 4.145 -24.711 20.365 375 HG13 VAL 43 HG13 VAL 43 2.968 -24.386 21.635 376 HG21 VAL 43 HG21 VAL 43 0.574 -24.737 21.263 377 HG22 VAL 43 HG22 VAL 43 -0.022 -25.281 19.696 378 HG23 VAL 43 HG23 VAL 43 0.576 -23.634 19.885 379 H SER 44 HN SER 44 0.390 -24.710 16.696 380 HA SER 44 HA SER 44 -0.538 -27.431 16.570 381 HB2 SER 44 HB2 SER 44 -2.084 -25.472 16.508 382 HB3 SER 44 HB1 SER 44 -1.420 -25.025 14.940 383 HG SER 44 HG SER 44 -2.080 -27.438 14.533 384 H GLY 45 HN GLY 45 1.857 -25.671 14.917 385 HA2 GLY 45 HA2 GLY 45 3.385 -26.849 13.506 386 HA3 GLY 45 HA1 GLY 45 2.051 -27.826 12.928 387 H ALA 46 HN ALA 46 0.866 -24.781 12.934 388 HA ALA 46 HA ALA 46 1.309 -24.486 10.079 389 HB1 ALA 46 HB1 ALA 46 -0.462 -22.888 11.921 390 HB2 ALA 46 HB2 ALA 46 -0.966 -24.264 10.941 391 HB3 ALA 46 HB3 ALA 46 -0.423 -22.777 10.161 392 H ALA 47 HN ALA 47 2.270 -22.810 9.086 393 HA ALA 47 HA ALA 47 3.895 -21.028 10.750 394 HB1 ALA 47 HB1 ALA 47 5.347 -20.770 8.805 395 HB2 ALA 47 HB2 ALA 47 4.278 -21.804 7.859 396 HB3 ALA 47 HB3 ALA 47 5.160 -22.472 9.233 397 H PHE 48 HN PHE 48 4.082 -18.837 10.220 398 HA PHE 48 HA PHE 48 1.928 -17.693 8.554 399 HB2 PHE 48 HB2 PHE 48 2.747 -16.430 11.171 400 HB3 PHE 48 HB1 PHE 48 1.324 -16.094 10.205 401 HD1 PHE 48 HD2 PHE 48 -0.577 -17.756 10.234 402 HD2 PHE 48 HD1 PHE 48 2.729 -17.961 12.900 403 HE1 PHE 48 HE2 PHE 48 -1.886 -19.201 11.739 404 HE2 PHE 48 HE1 PHE 48 1.440 -19.386 14.403 405 HZ PHE 48 HZ PHE 48 -0.875 -20.012 13.834 406 H ALA 49 HN ALA 49 2.479 -15.680 7.636 407 HA ALA 49 HA ALA 49 5.162 -14.690 8.287 408 HB1 ALA 49 HB1 ALA 49 5.251 -15.868 6.136 409 HB2 ALA 49 HB2 ALA 49 5.567 -14.144 5.949 410 HB3 ALA 49 HB3 ALA 49 3.996 -14.805 5.505 411 H PHE 50 HN PHE 50 5.346 -12.572 8.610 412 HA PHE 50 HA PHE 50 3.034 -10.849 7.992 413 HB2 PHE 50 HB2 PHE 50 4.454 -11.247 10.462 414 HB3 PHE 50 HB1 PHE 50 4.729 -9.598 9.911 415 HD1 PHE 50 HD2 PHE 50 2.177 -8.928 8.646 416 HD2 PHE 50 HD1 PHE 50 2.982 -11.082 12.226 417 HE1 PHE 50 HE2 PHE 50 -0.014 -8.261 9.532 418 HE2 PHE 50 HE1 PHE 50 0.791 -10.417 13.121 419 HZ PHE 50 HZ PHE 50 -0.708 -9.000 11.776 420 H ILE 51 HN ILE 51 3.436 -9.388 6.440 421 HA ILE 51 HA ILE 51 6.304 -8.788 5.970 422 HB ILE 51 HB ILE 51 4.256 -8.783 3.741 423 HG12 ILE 51 HG12 ILE 51 5.704 -10.945 3.114 424 HG13 ILE 51 HG11 ILE 51 5.814 -11.078 4.864 425 HG21 ILE 51 HG21 ILE 51 6.292 -7.496 3.375 426 HG22 ILE 51 HG22 ILE 51 6.255 -8.915 2.324 427 HG23 ILE 51 HG23 ILE 51 7.270 -8.911 3.768 428 HD11 ILE 51 HD11 ILE 51 3.289 -11.048 3.223 429 HD12 ILE 51 HD12 ILE 51 3.354 -11.134 4.985 430 HD13 ILE 51 HD13 ILE 51 4.022 -12.443 4.011 431 H GLU 52 HN GLU 52 6.768 -6.711 6.415 432 HA GLU 52 HA GLU 52 4.585 -4.754 6.173 433 HB2 GLU 52 HB2 GLU 52 5.378 -5.338 8.482 434 HB3 GLU 52 HB1 GLU 52 6.921 -4.633 8.044 435 HG2 GLU 52 HG2 GLU 52 5.891 -2.472 7.730 436 HG3 GLU 52 HG1 GLU 52 4.307 -3.161 8.099 437 H PHE 53 HN PHE 53 4.851 -3.556 4.466 438 HA PHE 53 HA PHE 53 7.540 -2.570 3.750 439 HB2 PHE 53 HB2 PHE 53 6.151 -2.220 1.432 440 HB3 PHE 53 HB1 PHE 53 7.182 -3.601 1.774 441 HD1 PHE 53 HD1 PHE 53 3.690 -2.416 2.074 442 HD2 PHE 53 HD2 PHE 53 6.347 -5.704 1.711 443 HE1 PHE 53 HE1 PHE 53 1.773 -3.917 1.789 444 HE2 PHE 53 HE2 PHE 53 4.442 -7.229 1.434 445 HZ PHE 53 HZ PHE 53 2.162 -6.319 1.455 446 H GLU 54 HN GLU 54 7.466 -0.494 2.420 447 HA GLU 54 HA GLU 54 5.927 1.468 3.849 448 HB2 GLU 54 HB2 GLU 54 7.091 3.125 2.371 449 HB3 GLU 54 HB1 GLU 54 8.150 2.115 3.337 450 HG2 GLU 54 HG2 GLU 54 8.543 0.701 1.318 451 HG3 GLU 54 HG1 GLU 54 7.592 1.856 0.387 452 H ASP 55 HN ASP 55 5.639 -0.051 0.659 453 HA ASP 55 HA ASP 55 3.244 1.617 0.278 454 HB2 ASP 55 HB2 ASP 55 3.606 1.059 -2.257 455 HB3 ASP 55 HB1 ASP 55 4.487 2.377 -1.502 456 H ALA 56 HN ALA 56 1.421 0.717 0.148 457 HA ALA 56 HA ALA 56 1.091 -2.083 0.542 458 HB1 ALA 56 HB1 ALA 56 -0.989 0.069 0.172 459 HB2 ALA 56 HB2 ALA 56 -0.233 -0.367 1.704 460 HB3 ALA 56 HB3 ALA 56 -1.247 -1.537 0.857 461 H ARG 57 HN ARG 57 0.328 0.124 -2.077 462 HA ARG 57 HA ARG 57 -1.473 -1.680 -3.361 463 HB2 ARG 57 HB2 ARG 57 -1.664 0.160 -5.046 464 HB3 ARG 57 HB1 ARG 57 -2.014 0.623 -3.389 465 HG2 ARG 57 HG2 ARG 57 0.448 1.411 -3.326 466 HG3 ARG 57 HG1 ARG 57 0.351 1.341 -5.084 467 HD2 ARG 57 HD2 ARG 57 -1.957 2.677 -4.006 468 HD3 ARG 57 HD1 ARG 57 -0.482 3.422 -3.399 469 HE ARG 57 HE ARG 57 -0.466 2.967 -6.237 470 HH11 ARG 57 HH11 ARG 57 -1.393 5.221 -3.696 471 HH12 ARG 57 HH12 ARG 57 -1.376 6.599 -4.750 472 HH21 ARG 57 HH21 ARG 57 -0.456 4.768 -7.599 473 HH22 ARG 57 HH22 ARG 57 -0.843 6.339 -6.972 474 H ASP 58 HN ASP 58 1.899 -0.968 -3.790 475 HA ASP 58 HA ASP 58 2.035 -2.120 -6.423 476 HB2 ASP 58 HB2 ASP 58 3.849 -0.776 -4.575 477 HB3 ASP 58 HB1 ASP 58 4.610 -2.089 -5.455 478 H ALA 59 HN ALA 59 2.637 -3.148 -3.152 479 HA ALA 59 HA ALA 59 3.671 -5.738 -3.744 480 HB1 ALA 59 HB1 ALA 59 2.521 -4.915 -1.121 481 HB2 ALA 59 HB2 ALA 59 4.082 -4.318 -1.688 482 HB3 ALA 59 HB3 ALA 59 3.830 -6.052 -1.452 483 H ALA 60 HN ALA 60 0.535 -4.428 -3.471 484 HA ALA 60 HA ALA 60 -1.081 -6.628 -3.022 485 HB1 ALA 60 HB1 ALA 60 -1.960 -4.365 -3.280 486 HB2 ALA 60 HB2 ALA 60 -2.793 -5.509 -4.327 487 HB3 ALA 60 HB3 ALA 60 -1.590 -4.413 -5.008 488 H ASP 61 HN ASP 61 0.838 -5.955 -5.906 489 HA ASP 61 HA ASP 61 -0.281 -7.950 -7.591 490 HB2 ASP 61 HB2 ASP 61 1.847 -6.046 -7.675 491 HB3 ASP 61 HB1 ASP 61 2.453 -7.598 -8.243 492 H ALA 62 HN ALA 62 2.314 -8.030 -5.165 493 HA ALA 62 HA ALA 62 3.060 -10.745 -5.539 494 HB1 ALA 62 HB1 ALA 62 3.152 -9.134 -2.993 495 HB2 ALA 62 HB2 ALA 62 4.423 -9.189 -4.218 496 HB3 ALA 62 HB3 ALA 62 4.007 -10.640 -3.301 497 H ILE 63 HN ILE 63 0.719 -9.185 -3.321 498 HA ILE 63 HA ILE 63 -0.092 -11.631 -2.180 499 HB ILE 63 HB ILE 63 -0.445 -9.150 -1.360 500 HG12 ILE 63 HG12 ILE 63 -0.896 -11.348 -0.136 501 HG13 ILE 63 HG11 ILE 63 -1.788 -9.945 0.406 502 HG21 ILE 63 HG21 ILE 63 -2.622 -8.262 -1.566 503 HG22 ILE 63 HG22 ILE 63 -3.200 -9.689 -2.419 504 HG23 ILE 63 HG23 ILE 63 -2.043 -8.610 -3.196 505 HD11 ILE 63 HD11 ILE 63 -3.156 -11.960 0.394 506 HD12 ILE 63 HD12 ILE 63 -2.894 -12.145 -1.342 507 HD13 ILE 63 HD13 ILE 63 -3.781 -10.751 -0.721 508 H LYS 64 HN LYS 64 -1.217 -9.987 -5.143 509 HA LYS 64 HA LYS 64 -3.236 -11.990 -5.497 510 HB2 LYS 64 HB2 LYS 64 -3.768 -11.038 -7.632 511 HB3 LYS 64 HB1 LYS 64 -3.589 -9.756 -6.446 512 HG2 LYS 64 HG2 LYS 64 -2.322 -8.761 -7.962 513 HG3 LYS 64 HG1 LYS 64 -1.083 -9.922 -7.493 514 HD2 LYS 64 HD2 LYS 64 -1.903 -11.437 -9.299 515 HD3 LYS 64 HD1 LYS 64 -2.983 -10.140 -9.837 516 HE2 LYS 64 HE2 LYS 64 -0.959 -8.669 -10.028 517 HE3 LYS 64 HE1 LYS 64 0.027 -10.089 -9.695 518 HZ1 LYS 64 HZ1 LYS 64 -1.799 -9.745 -12.003 519 HZ2 LYS 64 HZ2 LYS 64 -0.885 -11.128 -11.677 520 HZ3 LYS 64 HZ3 LYS 64 -0.111 -9.672 -12.046 521 H GLU 65 HN GLU 65 0.181 -11.841 -6.311 522 HA GLU 65 HA GLU 65 0.021 -14.047 -8.107 523 HB2 GLU 65 HB2 GLU 65 2.274 -13.907 -8.356 524 HB3 GLU 65 HB1 GLU 65 2.048 -12.355 -7.584 525 HG2 GLU 65 HG2 GLU 65 3.904 -13.182 -6.506 526 HG3 GLU 65 HG1 GLU 65 2.618 -13.638 -5.397 527 H LYS 66 HN LYS 66 0.344 -13.944 -4.487 528 HA LYS 66 HA LYS 66 0.030 -16.860 -4.708 529 HB2 LYS 66 HB2 LYS 66 0.533 -17.104 -2.314 530 HB3 LYS 66 HB1 LYS 66 1.835 -16.439 -3.264 531 HG2 LYS 66 HG2 LYS 66 0.064 -14.593 -1.710 532 HG3 LYS 66 HG1 LYS 66 1.286 -15.536 -0.867 533 HD2 LYS 66 HD2 LYS 66 1.761 -13.550 -3.091 534 HD3 LYS 66 HD1 LYS 66 2.111 -13.312 -1.386 535 HE2 LYS 66 HE2 LYS 66 3.459 -15.289 -3.225 536 HE3 LYS 66 HE1 LYS 66 4.125 -13.767 -2.666 537 HZ1 LYS 66 HZ1 LYS 66 5.013 -15.605 -1.421 538 HZ2 LYS 66 HZ2 LYS 66 3.462 -16.098 -0.959 539 HZ3 LYS 66 HZ3 LYS 66 4.080 -14.624 -0.405 540 H ASP 67 HN ASP 67 -2.073 -14.618 -4.815 541 HA ASP 67 HA ASP 67 -4.224 -15.040 -3.160 542 HB2 ASP 67 HB2 ASP 67 -4.286 -13.298 -4.706 543 HB3 ASP 67 HB1 ASP 67 -4.097 -14.366 -6.088 544 H GLY 68 HN GLY 68 -6.334 -16.212 -3.474 545 HA2 GLY 68 HA2 GLY 68 -7.254 -18.358 -4.270 546 HA3 GLY 68 HA1 GLY 68 -5.602 -18.935 -4.321 547 H CYS 69 HN CYS 69 -6.745 -17.004 -1.615 548 HA CYS 69 HA CYS 69 -5.639 -18.713 0.314 549 HB2 CYS 69 HB2 CYS 69 -6.951 -17.271 1.951 550 HB3 CYS 69 HB1 CYS 69 -5.917 -16.401 0.829 551 HG CYS 69 HG CYS 69 -7.987 -14.740 0.833 552 H ASP 70 HN ASP 70 -6.338 -20.254 1.584 553 HA ASP 70 HA ASP 70 -9.054 -21.252 1.289 554 HB2 ASP 70 HB2 ASP 70 -6.684 -22.372 0.135 555 HB3 ASP 70 HB1 ASP 70 -7.399 -23.520 1.263 556 H PHE 71 HN PHE 71 -9.848 -22.556 2.781 557 HA PHE 71 HA PHE 71 -8.531 -22.940 5.334 558 HB2 PHE 71 HB2 PHE 71 -10.163 -21.741 6.657 559 HB3 PHE 71 HB1 PHE 71 -9.459 -20.636 5.492 560 HD1 PHE 71 HD1 PHE 71 -10.822 -19.952 3.494 561 HD2 PHE 71 HD2 PHE 71 -12.468 -22.138 6.757 562 HE1 PHE 71 HE1 PHE 71 -13.082 -19.270 2.808 563 HE2 PHE 71 HE2 PHE 71 -14.730 -21.468 6.069 564 HZ PHE 71 HZ PHE 71 -15.041 -20.027 4.095 565 H GLU 72 HN GLU 72 -9.498 -24.540 6.664 566 HA GLU 72 HA GLU 72 -10.804 -26.253 7.344 567 HB2 GLU 72 HB2 GLU 72 -12.720 -24.625 6.706 568 HB3 GLU 72 HB1 GLU 72 -12.929 -25.663 5.303 569 HG2 GLU 72 HG2 GLU 72 -13.222 -27.600 6.835 570 HG3 GLU 72 HG1 GLU 72 -13.150 -26.486 8.197 571 H GLY 73 HN GLY 73 -8.952 -27.285 6.259 572 HA2 GLY 73 HA2 GLY 73 -8.532 -29.504 5.554 573 HA3 GLY 73 HA1 GLY 73 -9.961 -29.433 4.543 574 H ASN 74 HN ASN 74 -8.863 -26.671 3.651 575 HA ASN 74 HA ASN 74 -6.424 -27.565 2.264 576 HB2 ASN 74 HB2 ASN 74 -8.423 -25.437 1.437 577 HB3 ASN 74 HB1 ASN 74 -6.866 -25.680 0.658 578 HD21 ASN 74 HD21 ASN 74 -6.548 -27.470 -0.629 579 HD22 ASN 74 HD22 ASN 74 -7.861 -28.414 -1.227 580 H LYS 75 HN LYS 75 -4.643 -26.662 3.079 581 HA LYS 75 HA LYS 75 -4.916 -24.370 4.873 582 HB2 LYS 75 HB2 LYS 75 -2.871 -26.522 4.515 583 HB3 LYS 75 HB1 LYS 75 -2.348 -24.989 5.179 584 HG2 LYS 75 HG2 LYS 75 -2.784 -26.411 7.014 585 HG3 LYS 75 HG1 LYS 75 -4.114 -25.261 6.947 586 HD2 LYS 75 HD2 LYS 75 -4.804 -27.561 5.386 587 HD3 LYS 75 HD1 LYS 75 -4.242 -28.092 6.973 588 HE2 LYS 75 HE2 LYS 75 -6.380 -26.018 6.481 589 HE3 LYS 75 HE1 LYS 75 -6.677 -27.701 6.912 590 HZ1 LYS 75 HZ1 LYS 75 -5.225 -25.717 8.575 591 HZ2 LYS 75 HZ2 LYS 75 -5.509 -27.327 9.001 592 HZ3 LYS 75 HZ3 LYS 75 -6.806 -26.254 8.841 593 H LEU 76 HN LEU 76 -4.929 -22.446 3.640 594 HA LEU 76 HA LEU 76 -2.414 -21.750 2.395 595 HB2 LEU 76 HB2 LEU 76 -4.484 -22.925 0.778 596 HB3 LEU 76 HB1 LEU 76 -4.224 -21.267 0.277 597 HG LEU 76 HG LEU 76 -1.847 -23.049 0.593 598 HD11 LEU 76 HD11 LEU 76 -2.111 -23.818 -1.731 599 HD12 LEU 76 HD12 LEU 76 -3.719 -23.086 -1.775 600 HD13 LEU 76 HD13 LEU 76 -3.388 -24.423 -0.673 601 HD21 LEU 76 HD21 LEU 76 -0.984 -21.693 -1.230 602 HD22 LEU 76 HD22 LEU 76 -1.568 -20.661 0.073 603 HD23 LEU 76 HD23 LEU 76 -2.538 -20.874 -1.384 604 H ARG 77 HN ARG 77 -3.176 -20.106 4.328 605 HA ARG 77 HA ARG 77 -5.237 -18.291 3.279 606 HB2 ARG 77 HB2 ARG 77 -5.765 -18.939 5.485 607 HB3 ARG 77 HB1 ARG 77 -4.121 -18.705 6.043 608 HG2 ARG 77 HG2 ARG 77 -5.557 -16.999 6.957 609 HG3 ARG 77 HG1 ARG 77 -4.403 -16.273 5.841 610 HD2 ARG 77 HD2 ARG 77 -6.543 -15.255 5.490 611 HD3 ARG 77 HD1 ARG 77 -6.167 -16.267 4.099 612 HE ARG 77 HE ARG 77 -7.806 -17.833 4.817 613 HH11 ARG 77 HH12 ARG 77 -7.755 -14.930 6.829 614 HH12 ARG 77 HH11 ARG 77 -9.350 -15.204 7.460 615 HH21 ARG 77 HH21 ARG 77 -9.941 -18.123 5.623 616 HH22 ARG 77 HH22 ARG 77 -10.579 -17.005 6.782 617 H VAL 78 HN VAL 78 -4.650 -16.637 2.169 618 HA VAL 78 HA VAL 78 -2.351 -15.029 3.034 619 HB VAL 78 HB VAL 78 -2.211 -14.362 0.513 620 HG11 VAL 78 HG11 VAL 78 -0.709 -16.318 0.037 621 HG12 VAL 78 HG12 VAL 78 -1.263 -17.032 1.554 622 HG13 VAL 78 HG13 VAL 78 -0.392 -15.499 1.564 623 HG21 VAL 78 HG21 VAL 78 -3.581 -17.043 0.288 624 HG22 VAL 78 HG22 VAL 78 -2.780 -16.205 -1.043 625 HG23 VAL 78 HG23 VAL 78 -4.202 -15.493 -0.281 626 H GLU 79 HN GLU 79 -3.018 -12.998 3.639 627 HA GLU 79 HA GLU 79 -5.202 -11.777 2.170 628 HB2 GLU 79 HB2 GLU 79 -6.610 -11.345 4.097 629 HB3 GLU 79 HB1 GLU 79 -6.333 -13.072 3.946 630 HG2 GLU 79 HG2 GLU 79 -4.561 -12.857 5.688 631 HG3 GLU 79 HG1 GLU 79 -5.081 -11.190 5.930 632 H VAL 80 HN VAL 80 -5.212 -9.588 2.132 633 HA VAL 80 HA VAL 80 -3.154 -8.228 3.650 634 HB VAL 80 HB VAL 80 -3.773 -6.170 2.451 635 HG11 VAL 80 HG11 VAL 80 -3.010 -6.824 0.273 636 HG12 VAL 80 HG12 VAL 80 -3.498 -8.492 0.563 637 HG13 VAL 80 HG13 VAL 80 -2.175 -7.785 1.487 638 HG21 VAL 80 HG21 VAL 80 -5.807 -7.844 0.977 639 HG22 VAL 80 HG22 VAL 80 -5.351 -6.184 0.599 640 HG23 VAL 80 HG23 VAL 80 -6.176 -6.546 2.114 641 HA PRO 81 HA PRO 81 -6.258 -6.770 6.594 642 HB2 PRO 81 HB2 PRO 81 -4.533 -6.095 8.567 643 HB3 PRO 81 HB1 PRO 81 -5.042 -7.771 8.284 644 HG2 PRO 81 HG2 PRO 81 -2.490 -6.438 7.620 645 HG3 PRO 81 HG1 PRO 81 -2.803 -8.124 8.071 646 HD2 PRO 81 HD2 PRO 81 -2.396 -7.163 5.475 647 HD3 PRO 81 HD1 PRO 81 -3.061 -8.750 5.910 648 H PHE 82 HN PHE 82 -4.068 -5.166 4.660 649 HA PHE 82 HA PHE 82 -4.608 -2.593 5.907 650 HB2 PHE 82 HB2 PHE 82 -3.106 -1.607 4.153 651 HB3 PHE 82 HB1 PHE 82 -2.329 -2.706 5.270 652 HD1 PHE 82 HD1 PHE 82 -3.843 -2.712 1.832 653 HD2 PHE 82 HD2 PHE 82 -0.847 -4.199 4.440 654 HE1 PHE 82 HE1 PHE 82 -2.743 -3.807 -0.068 655 HE2 PHE 82 HE2 PHE 82 0.242 -5.301 2.565 656 HZ PHE 82 HZ PHE 82 -0.688 -5.113 0.296 657 H ASN 83 HN ASN 83 -5.582 -4.470 3.162 658 HA ASN 83 HA ASN 83 -6.924 -4.178 1.369 659 HB2 ASN 83 HB2 ASN 83 -8.562 -3.936 3.280 660 HB3 ASN 83 HB1 ASN 83 -8.434 -2.191 3.092 661 HD21 ASN 83 HD21 ASN 83 -9.392 -1.199 1.354 662 HD22 ASN 83 HD22 ASN 83 -10.520 -2.001 0.317 663 H ALA 84 HN ALA 84 -5.210 -3.255 0.153 664 HA ALA 84 HA ALA 84 -4.123 -1.822 -1.207 665 HB1 ALA 84 HB1 ALA 84 -5.364 -0.067 -2.316 666 HB2 ALA 84 HB2 ALA 84 -6.630 -0.142 -1.088 667 HB3 ALA 84 HB3 ALA 84 -6.364 -1.514 -2.164 668 H ARG 85 HN ARG 85 -3.866 0.965 -1.418 669 HA ARG 85 HA ARG 85 -2.909 1.690 1.261 670 HB2 ARG 85 HB2 ARG 85 -1.577 2.009 -1.008 671 HB3 ARG 85 HB1 ARG 85 -2.549 3.469 -1.131 672 HG2 ARG 85 HG2 ARG 85 -1.707 3.909 1.297 673 HG3 ARG 85 HG1 ARG 85 -0.446 2.759 0.867 674 HD2 ARG 85 HD2 ARG 85 -1.059 5.132 -0.863 675 HD3 ARG 85 HD1 ARG 85 0.013 5.261 0.524 676 HE ARG 85 HE ARG 85 0.859 3.127 -1.104 677 HH11 ARG 85 HH11 ARG 85 0.753 6.647 -1.105 678 HH12 ARG 85 HH12 ARG 85 2.138 6.813 -2.135 679 HH21 ARG 85 HH22 ARG 85 2.729 3.369 -2.426 680 HH22 ARG 85 HH21 ARG 85 3.254 4.953 -2.884 681 H GLU 86 HN GLU 86 -5.752 1.638 -0.005 682 HA GLU 86 HA GLU 86 -6.585 4.357 0.716 683 HB2 GLU 86 HB2 GLU 86 -7.927 2.681 -1.423 684 HB3 GLU 86 HB1 GLU 86 -8.127 4.396 -1.107 685 HG2 GLU 86 HG2 GLU 86 -5.769 4.749 -1.855 686 HG3 GLU 86 HG1 GLU 86 -5.701 3.046 -2.293 Start of MODEL 15 1 H1 GLY -2 HT1 GLY -2 -10.056 -0.402 -4.189 2 H2 GLY -2 HT2 GLY -2 -11.194 0.836 -4.378 3 H3 GLY -2 HT3 GLY -2 -10.266 0.751 -2.968 4 HA2 GLY -2 HA1 GLY -2 -8.254 1.203 -4.220 5 HA3 GLY -2 HA2 GLY -2 -9.214 1.276 -5.693 6 H SER -1 HN SER -1 -7.524 3.264 -4.142 7 HA SER -1 HA SER -1 -9.440 5.457 -4.224 8 HB2 SER -1 HB2 SER -1 -7.971 6.209 -2.060 9 HB3 SER -1 HB1 SER -1 -9.525 5.376 -1.957 10 HG SER -1 HG SER -1 -6.984 4.479 -1.375 11 H HIS 0 HN HIS 0 -7.940 7.613 -3.649 12 HA HIS 0 HA HIS 0 -5.621 7.531 -5.393 13 HB2 HIS 0 HB2 HIS 0 -7.487 7.614 -6.964 14 HB3 HIS 0 HB1 HIS 0 -8.166 9.004 -6.140 15 HD1 HIS 0 HD1 HIS 0 -8.081 10.708 -7.932 16 HD2 HIS 0 HD2 HIS 0 -4.446 8.737 -7.535 17 HE1 HIS 0 HE1 HIS 0 -6.481 11.951 -9.413 18 HE2 HIS 0 HE2 HIS 0 -4.239 10.886 -8.971 19 H MET 1 HN MET 1 -4.911 8.124 -3.143 20 HA MET 1 HA MET 1 -4.245 10.953 -3.289 21 HB2 MET 1 HB2 MET 1 -5.627 9.697 -0.953 22 HB3 MET 1 HB1 MET 1 -4.326 10.829 -0.613 23 HG2 MET 1 HG2 MET 1 -5.461 12.566 -1.836 24 HG3 MET 1 HG1 MET 1 -6.730 11.443 -2.317 25 HE1 MET 1 HE1 MET 1 -7.377 14.275 -0.944 26 HE2 MET 1 HE2 MET 1 -8.669 13.748 0.135 27 HE3 MET 1 HE3 MET 1 -8.559 13.088 -1.494 28 H VAL 2 HN VAL 2 -2.147 11.380 -2.556 29 HA VAL 2 HA VAL 2 -0.595 9.045 -1.631 30 HB VAL 2 HB VAL 2 0.643 11.216 -3.357 31 HG11 VAL 2 HG11 VAL 2 2.279 9.421 -3.910 32 HG12 VAL 2 HG12 VAL 2 1.469 8.376 -2.741 33 HG13 VAL 2 HG13 VAL 2 2.258 9.857 -2.202 34 HG21 VAL 2 HG21 VAL 2 -1.146 10.256 -4.705 35 HG22 VAL 2 HG22 VAL 2 -0.544 8.632 -4.368 36 HG23 VAL 2 HG23 VAL 2 0.433 9.757 -5.310 37 H ILE 3 HN ILE 3 -1.898 11.705 -0.470 38 HA ILE 3 HA ILE 3 0.505 12.837 0.788 39 HB ILE 3 HB ILE 3 -2.282 14.025 0.934 40 HG12 ILE 3 HG12 ILE 3 -0.086 14.805 -1.015 41 HG13 ILE 3 HG11 ILE 3 -1.461 13.802 -1.450 42 HG21 ILE 3 HG21 ILE 3 -0.709 14.825 2.635 43 HG22 ILE 3 HG22 ILE 3 -1.083 16.101 1.475 44 HG23 ILE 3 HG23 ILE 3 0.454 15.242 1.379 45 HD11 ILE 3 HD11 ILE 3 -2.974 15.657 -0.930 46 HD12 ILE 3 HD12 ILE 3 -1.790 16.100 -2.160 47 HD13 ILE 3 HD13 ILE 3 -1.590 16.662 -0.501 48 H ARG 4 HN ARG 4 0.829 11.111 2.241 49 HA ARG 4 HA ARG 4 0.233 11.762 4.856 50 HB2 ARG 4 HB2 ARG 4 -2.034 10.537 4.052 51 HB3 ARG 4 HB1 ARG 4 -1.093 9.112 4.483 52 HG2 ARG 4 HG2 ARG 4 -0.656 10.290 6.715 53 HG3 ARG 4 HG1 ARG 4 -1.942 11.392 6.244 54 HD2 ARG 4 HD2 ARG 4 -3.572 9.785 6.439 55 HD3 ARG 4 HD1 ARG 4 -2.442 8.454 6.171 56 HE ARG 4 HE ARG 4 -1.770 9.820 8.550 57 HH11 ARG 4 HH12 ARG 4 -4.209 7.598 7.323 58 HH12 ARG 4 HH11 ARG 4 -4.523 6.899 8.880 59 HH21 ARG 4 HH22 ARG 4 -2.161 8.866 10.574 60 HH22 ARG 4 HH21 ARG 4 -3.359 7.622 10.724 61 H GLU 5 HN GLU 5 1.004 9.931 6.417 62 HA GLU 5 HA GLU 5 2.930 8.132 5.124 63 HB2 GLU 5 HB2 GLU 5 4.073 10.037 6.178 64 HB3 GLU 5 HB1 GLU 5 3.258 9.703 7.696 65 HG2 GLU 5 HG2 GLU 5 4.419 7.511 7.775 66 HG3 GLU 5 HG1 GLU 5 5.309 7.980 6.328 67 H SER 6 HN SER 6 2.689 6.008 5.687 68 HA SER 6 HA SER 6 1.779 5.163 8.272 69 HB2 SER 6 HB2 SER 6 -0.354 5.804 6.857 70 HB3 SER 6 HB1 SER 6 -0.044 4.271 6.049 71 HG SER 6 HG SER 6 -0.243 4.507 8.867 72 H VAL 7 HN VAL 7 1.747 2.753 8.440 73 HA VAL 7 HA VAL 7 3.562 1.537 6.458 74 HB VAL 7 HB VAL 7 3.112 0.453 9.246 75 HG11 VAL 7 HG11 VAL 7 4.117 -1.082 7.621 76 HG12 VAL 7 HG12 VAL 7 5.252 -0.663 8.904 77 HG13 VAL 7 HG13 VAL 7 5.404 0.087 7.315 78 HG21 VAL 7 HG21 VAL 7 5.207 1.543 9.944 79 HG22 VAL 7 HG22 VAL 7 3.939 2.708 9.559 80 HG23 VAL 7 HG23 VAL 7 5.247 2.417 8.413 81 H SER 8 HN SER 8 2.722 0.016 5.174 82 HA SER 8 HA SER 8 0.083 -1.069 5.700 83 HB2 SER 8 HB2 SER 8 0.292 -1.996 3.412 84 HB3 SER 8 HB1 SER 8 0.611 -0.266 3.458 85 HG SER 8 HG SER 8 2.213 -1.169 2.236 86 H ARG 9 HN ARG 9 -0.404 -3.264 6.098 87 HA ARG 9 HA ARG 9 1.906 -5.020 6.614 88 HB2 ARG 9 HB2 ARG 9 -0.549 -4.752 8.356 89 HB3 ARG 9 HB1 ARG 9 0.709 -5.959 8.579 90 HG2 ARG 9 HG2 ARG 9 1.573 -4.486 10.029 91 HG3 ARG 9 HG1 ARG 9 2.147 -3.627 8.599 92 HD2 ARG 9 HD2 ARG 9 1.035 -2.054 10.026 93 HD3 ARG 9 HD1 ARG 9 0.023 -2.330 8.609 94 HE ARG 9 HE ARG 9 -0.530 -3.861 11.045 95 HH11 ARG 9 HH11 ARG 9 -1.517 -1.296 8.839 96 HH12 ARG 9 HH12 ARG 9 -3.131 -1.219 9.463 97 HH21 ARG 9 HH21 ARG 9 -2.644 -3.746 11.857 98 HH22 ARG 9 HH22 ARG 9 -3.773 -2.615 11.184 99 H ILE 10 HN ILE 10 1.584 -7.267 6.395 100 HA ILE 10 HA ILE 10 -0.844 -8.158 4.987 101 HB ILE 10 HB ILE 10 1.973 -8.962 4.177 102 HG12 ILE 10 HG12 ILE 10 1.019 -7.865 1.927 103 HG13 ILE 10 HG11 ILE 10 0.160 -6.872 3.096 104 HG21 ILE 10 HG21 ILE 10 0.830 -10.016 2.224 105 HG22 ILE 10 HG22 ILE 10 -0.713 -9.668 3.004 106 HG23 ILE 10 HG23 ILE 10 0.436 -10.760 3.775 107 HD11 ILE 10 HD11 ILE 10 2.203 -5.801 2.400 108 HD12 ILE 10 HD12 ILE 10 3.138 -7.210 2.893 109 HD13 ILE 10 HD13 ILE 10 2.300 -6.242 4.106 110 H TYR 11 HN TYR 11 -1.621 -10.091 5.667 111 HA TYR 11 HA TYR 11 0.037 -11.665 7.538 112 HB2 TYR 11 HB2 TYR 11 -2.112 -10.501 8.387 113 HB3 TYR 11 HB1 TYR 11 -2.980 -11.692 7.433 114 HD1 TYR 11 HD1 TYR 11 -2.355 -14.236 7.978 115 HD2 TYR 11 HD2 TYR 11 -1.651 -10.956 10.605 116 HE1 TYR 11 HE1 TYR 11 -2.300 -15.785 9.886 117 HE2 TYR 11 HE2 TYR 11 -1.591 -12.500 12.520 118 HH TYR 11 HH TYR 11 -2.433 -14.750 13.112 119 H VAL 12 HN VAL 12 0.777 -13.446 6.481 120 HA VAL 12 HA VAL 12 -1.228 -14.928 4.937 121 HB VAL 12 HB VAL 12 0.373 -14.208 3.337 122 HG11 VAL 12 HG11 VAL 12 2.571 -15.368 5.024 123 HG12 VAL 12 HG12 VAL 12 2.250 -13.652 4.770 124 HG13 VAL 12 HG13 VAL 12 2.754 -14.666 3.417 125 HG21 VAL 12 HG21 VAL 12 1.090 -17.059 3.927 126 HG22 VAL 12 HG22 VAL 12 1.165 -16.242 2.369 127 HG23 VAL 12 HG23 VAL 12 -0.394 -16.545 3.137 128 H GLY 13 HN GLY 13 -1.940 -16.633 5.954 129 HA2 GLY 13 HA2 GLY 13 -0.132 -18.055 7.807 130 HA3 GLY 13 HA1 GLY 13 -1.800 -17.697 8.211 131 H ASN 14 HN ASN 14 -0.570 -20.276 8.226 132 HA ASN 14 HA ASN 14 -1.126 -22.439 7.786 133 HB2 ASN 14 HB2 ASN 14 -3.578 -21.296 6.408 134 HB3 ASN 14 HB1 ASN 14 -3.362 -22.962 6.914 135 HD21 ASN 14 HD21 ASN 14 -3.442 -23.457 9.117 136 HD22 ASN 14 HD22 ASN 14 -4.184 -22.389 10.256 137 H LEU 15 HN LEU 15 0.542 -20.952 5.872 138 HA LEU 15 HA LEU 15 -0.381 -21.695 3.250 139 HB2 LEU 15 HB2 LEU 15 1.558 -20.481 2.395 140 HB3 LEU 15 HB1 LEU 15 0.610 -19.513 3.494 141 HG LEU 15 HG LEU 15 3.102 -20.896 4.457 142 HD11 LEU 15 HD11 LEU 15 3.973 -19.759 2.628 143 HD12 LEU 15 HD12 LEU 15 4.219 -18.658 3.982 144 HD13 LEU 15 HD13 LEU 15 2.897 -18.379 2.847 145 HD21 LEU 15 HD21 LEU 15 1.997 -19.929 6.268 146 HD22 LEU 15 HD22 LEU 15 1.509 -18.514 5.339 147 HD23 LEU 15 HD23 LEU 15 3.196 -18.717 5.807 148 HA PRO 16 HA PRO 16 2.128 -25.415 3.173 149 HB2 PRO 16 HB2 PRO 16 1.076 -26.467 0.907 150 HB3 PRO 16 HB1 PRO 16 0.222 -26.519 2.458 151 HG2 PRO 16 HG2 PRO 16 -0.284 -24.843 0.088 152 HG3 PRO 16 HG1 PRO 16 -1.411 -25.416 1.326 153 HD2 PRO 16 HD2 PRO 16 -0.277 -22.838 1.156 154 HD3 PRO 16 HD1 PRO 16 -1.180 -23.518 2.525 155 H SER 17 HN SER 17 4.136 -25.504 2.534 156 HA SER 17 HA SER 17 6.110 -24.726 1.579 157 HB2 SER 17 HB2 SER 17 4.834 -26.561 -0.441 158 HB3 SER 17 HB1 SER 17 6.541 -26.120 -0.441 159 HG SER 17 HG SER 17 6.868 -27.301 1.317 160 H HIS 18 HN HIS 18 5.286 -22.453 1.340 161 HA HIS 18 HA HIS 18 4.841 -21.722 -1.484 162 HB2 HIS 18 HB2 HIS 18 3.225 -21.293 0.702 163 HB3 HIS 18 HB1 HIS 18 4.118 -19.787 0.631 164 HD1 HIS 18 HD1 HIS 18 1.075 -19.886 0.146 165 HD2 HIS 18 HD2 HIS 18 3.916 -20.010 -2.884 166 HE1 HIS 18 HE1 HIS 18 -0.101 -19.056 -1.913 167 HE2 HIS 18 HE2 HIS 18 1.556 -19.434 -3.773 168 H VAL 19 HN VAL 19 5.255 -18.828 -0.268 169 HA VAL 19 HA VAL 19 7.996 -18.562 -0.883 170 HB VAL 19 HB VAL 19 7.690 -16.209 0.135 171 HG11 VAL 19 HG11 VAL 19 5.998 -17.138 -2.183 172 HG12 VAL 19 HG12 VAL 19 7.693 -16.651 -2.248 173 HG13 VAL 19 HG13 VAL 19 6.444 -15.468 -1.857 174 HG21 VAL 19 HG21 VAL 19 5.401 -15.419 0.350 175 HG22 VAL 19 HG22 VAL 19 5.677 -16.730 1.496 176 HG23 VAL 19 HG23 VAL 19 4.774 -17.025 0.008 177 H SER 20 HN SER 20 9.736 -18.906 0.324 178 HA SER 20 HA SER 20 9.579 -19.307 3.200 179 HB2 SER 20 HB2 SER 20 12.141 -19.101 1.604 180 HB3 SER 20 HB1 SER 20 11.820 -20.049 3.059 181 HG SER 20 HG SER 20 11.311 -20.623 0.395 182 H SER 21 HN SER 21 11.507 -18.047 4.470 183 HA SER 21 HA SER 21 10.617 -15.390 4.611 184 HB2 SER 21 HB2 SER 21 11.665 -16.717 6.472 185 HB3 SER 21 HB1 SER 21 13.231 -16.406 5.732 186 HG SER 21 HG SER 21 12.441 -14.925 7.462 187 H ARG 22 HN ARG 22 13.506 -16.707 3.035 188 HA ARG 22 HA ARG 22 14.716 -14.255 2.270 189 HB2 ARG 22 HB2 ARG 22 15.857 -16.489 2.326 190 HB3 ARG 22 HB1 ARG 22 14.915 -16.970 0.927 191 HG2 ARG 22 HG2 ARG 22 16.515 -14.495 0.654 192 HG3 ARG 22 HG1 ARG 22 17.405 -16.011 0.764 193 HD2 ARG 22 HD2 ARG 22 15.107 -15.902 -1.114 194 HD3 ARG 22 HD1 ARG 22 16.557 -15.013 -1.561 195 HE ARG 22 HE ARG 22 16.318 -17.919 -1.234 196 HH11 ARG 22 HH12 ARG 22 18.245 -15.140 -2.199 197 HH12 ARG 22 HH11 ARG 22 19.439 -16.090 -3.010 198 HH21 ARG 22 HH22 ARG 22 17.914 -19.167 -2.317 199 HH22 ARG 22 HH21 ARG 22 19.252 -18.372 -3.076 200 H ASP 23 HN ASP 23 12.492 -16.445 0.631 201 HA ASP 23 HA ASP 23 12.338 -15.015 -1.812 202 HB2 ASP 23 HB2 ASP 23 10.366 -16.989 -0.629 203 HB3 ASP 23 HB1 ASP 23 10.421 -16.462 -2.311 204 H VAL 24 HN VAL 24 10.451 -14.949 1.183 205 HA VAL 24 HA VAL 24 8.522 -13.089 0.381 206 HB VAL 24 HB VAL 24 9.729 -13.547 3.119 207 HG11 VAL 24 HG11 VAL 24 8.836 -11.265 3.012 208 HG12 VAL 24 HG12 VAL 24 7.857 -12.292 4.057 209 HG13 VAL 24 HG13 VAL 24 7.295 -11.897 2.433 210 HG21 VAL 24 HG21 VAL 24 7.621 -14.661 3.611 211 HG22 VAL 24 HG22 VAL 24 8.430 -15.418 2.237 212 HG23 VAL 24 HG23 VAL 24 7.057 -14.339 1.974 213 H GLU 25 HN GLU 25 11.761 -12.576 1.858 214 HA GLU 25 HA GLU 25 11.592 -9.795 1.942 215 HB2 GLU 25 HB2 GLU 25 13.376 -11.134 3.075 216 HB3 GLU 25 HB1 GLU 25 14.150 -11.342 1.510 217 HG2 GLU 25 HG2 GLU 25 14.195 -8.820 1.344 218 HG3 GLU 25 HG1 GLU 25 13.741 -8.797 3.044 219 H ASN 26 HN ASN 26 12.997 -11.813 -0.715 220 HA ASN 26 HA ASN 26 13.707 -9.439 -2.175 221 HB2 ASN 26 HB2 ASN 26 14.872 -11.749 -2.173 222 HB3 ASN 26 HB1 ASN 26 13.652 -12.210 -3.354 223 HD21 ASN 26 HD21 ASN 26 16.522 -12.061 -3.699 224 HD22 ASN 26 HD22 ASN 26 16.807 -10.929 -4.974 225 H GLU 27 HN GLU 27 11.249 -12.018 -2.689 226 HA GLU 27 HA GLU 27 10.392 -10.832 -5.142 227 HB2 GLU 27 HB2 GLU 27 10.239 -13.303 -4.660 228 HB3 GLU 27 HB1 GLU 27 8.914 -12.939 -3.569 229 HG2 GLU 27 HG2 GLU 27 7.561 -13.213 -5.309 230 HG3 GLU 27 HG1 GLU 27 8.182 -11.676 -5.904 231 H PHE 28 HN PHE 28 9.169 -10.847 -1.790 232 HA PHE 28 HA PHE 28 6.894 -9.259 -2.563 233 HB2 PHE 28 HB2 PHE 28 7.823 -10.458 -0.051 234 HB3 PHE 28 HB1 PHE 28 6.981 -8.931 0.135 235 HD1 PHE 28 HD1 PHE 28 4.608 -8.762 -0.805 236 HD2 PHE 28 HD2 PHE 28 6.673 -12.462 -0.396 237 HE1 PHE 28 HE1 PHE 28 2.464 -9.963 -0.849 238 HE2 PHE 28 HE2 PHE 28 4.533 -13.662 -0.452 239 HZ PHE 28 HZ PHE 28 2.425 -12.421 -0.677 240 H ARG 29 HN ARG 29 10.241 -8.461 -1.527 241 HA ARG 29 HA ARG 29 9.551 -5.691 -1.150 242 HB2 ARG 29 HB2 ARG 29 11.776 -5.115 -0.960 243 HB3 ARG 29 HB1 ARG 29 11.812 -6.790 -0.438 244 HG2 ARG 29 HG2 ARG 29 12.772 -7.498 -2.470 245 HG3 ARG 29 HG1 ARG 29 12.445 -5.954 -3.250 246 HD2 ARG 29 HD2 ARG 29 13.990 -4.977 -1.414 247 HD3 ARG 29 HD1 ARG 29 14.528 -6.649 -1.220 248 HE ARG 29 HE ARG 29 14.698 -6.267 -3.882 249 HH11 ARG 29 HH12 ARG 29 15.946 -4.469 -1.143 250 HH12 ARG 29 HH11 ARG 29 17.329 -3.872 -1.999 251 HH21 ARG 29 HH22 ARG 29 16.468 -5.448 -5.028 252 HH22 ARG 29 HH21 ARG 29 17.624 -4.437 -4.227 253 H LYS 30 HN LYS 30 10.192 -7.651 -4.016 254 HA LYS 30 HA LYS 30 10.505 -5.422 -5.752 255 HB2 LYS 30 HB2 LYS 30 10.880 -6.976 -7.324 256 HB3 LYS 30 HB1 LYS 30 10.742 -8.147 -6.032 257 HG2 LYS 30 HG2 LYS 30 9.373 -9.082 -7.599 258 HG3 LYS 30 HG1 LYS 30 8.200 -8.118 -6.708 259 HD2 LYS 30 HD2 LYS 30 8.816 -6.282 -8.484 260 HD3 LYS 30 HD1 LYS 30 9.338 -7.674 -9.436 261 HE2 LYS 30 HE2 LYS 30 7.161 -8.646 -9.334 262 HE3 LYS 30 HE1 LYS 30 6.635 -7.466 -8.138 263 HZ1 LYS 30 HZ1 LYS 30 6.948 -5.733 -9.852 264 HZ2 LYS 30 HZ2 LYS 30 5.741 -6.852 -10.234 265 HZ3 LYS 30 HZ3 LYS 30 7.250 -6.949 -10.989 266 H TYR 31 HN TYR 31 7.627 -6.833 -4.345 267 HA TYR 31 HA TYR 31 5.881 -5.218 -6.025 268 HB2 TYR 31 HB2 TYR 31 5.244 -7.051 -3.701 269 HB3 TYR 31 HB1 TYR 31 4.038 -6.158 -4.616 270 HD1 TYR 31 HD1 TYR 31 3.676 -6.716 -7.048 271 HD2 TYR 31 HD2 TYR 31 6.131 -9.067 -4.508 272 HE1 TYR 31 HE1 TYR 31 3.561 -8.560 -8.657 273 HE2 TYR 31 HE2 TYR 31 6.036 -10.926 -6.114 274 HH TYR 31 HH TYR 31 4.465 -11.691 -7.961 275 H GLY 32 HN GLY 32 7.111 -5.162 -2.687 276 HA2 GLY 32 HA2 GLY 32 6.510 -2.325 -2.588 277 HA3 GLY 32 HA1 GLY 32 5.645 -3.302 -1.409 278 H ASN 33 HN ASN 33 7.877 -1.220 -1.283 279 HA ASN 33 HA ASN 33 10.314 -2.415 -0.575 280 HB2 ASN 33 HB2 ASN 33 9.189 0.222 -0.635 281 HB3 ASN 33 HB1 ASN 33 10.075 -0.002 0.870 282 HD21 ASN 33 HD21 ASN 33 10.643 1.688 -1.387 283 HD22 ASN 33 HD22 ASN 33 12.214 1.228 -1.957 284 H ILE 34 HN ILE 34 10.767 -3.668 1.086 285 HA ILE 34 HA ILE 34 8.914 -3.845 3.266 286 HB ILE 34 HB ILE 34 9.517 -5.919 2.326 287 HG12 ILE 34 HG12 ILE 34 9.571 -5.590 4.979 288 HG13 ILE 34 HG11 ILE 34 9.789 -7.157 4.214 289 HG21 ILE 34 HG21 ILE 34 11.775 -6.821 2.182 290 HG22 ILE 34 HG22 ILE 34 12.423 -5.300 2.790 291 HG23 ILE 34 HG23 ILE 34 11.584 -5.345 1.242 292 HD11 ILE 34 HD11 ILE 34 12.210 -6.966 4.489 293 HD12 ILE 34 HD12 ILE 34 11.381 -6.796 6.038 294 HD13 ILE 34 HD13 ILE 34 12.013 -5.369 5.213 295 H LEU 35 HN LEU 35 9.035 -2.959 5.093 296 HA LEU 35 HA LEU 35 11.497 -1.760 6.060 297 HB2 LEU 35 HB2 LEU 35 8.591 -1.368 6.598 298 HB3 LEU 35 HB1 LEU 35 9.707 -1.005 7.894 299 HG LEU 35 HG LEU 35 10.846 0.650 6.421 300 HD11 LEU 35 HD11 LEU 35 8.579 0.107 4.506 301 HD12 LEU 35 HD12 LEU 35 10.279 -0.281 4.236 302 HD13 LEU 35 HD13 LEU 35 9.770 1.401 4.370 303 HD21 LEU 35 HD21 LEU 35 9.150 1.393 7.980 304 HD22 LEU 35 HD22 LEU 35 7.880 1.048 6.804 305 HD23 LEU 35 HD23 LEU 35 9.051 2.329 6.487 306 H LYS 36 HN LYS 36 9.083 -4.227 6.913 307 HA LYS 36 HA LYS 36 10.975 -5.356 8.840 308 HB2 LYS 36 HB2 LYS 36 9.442 -3.748 10.033 309 HB3 LYS 36 HB1 LYS 36 8.097 -4.764 9.581 310 HG2 LYS 36 HG2 LYS 36 10.315 -6.013 11.108 311 HG3 LYS 36 HG1 LYS 36 9.240 -4.904 11.957 312 HD2 LYS 36 HD2 LYS 36 7.372 -6.382 10.795 313 HD3 LYS 36 HD1 LYS 36 8.666 -7.581 10.769 314 HE2 LYS 36 HE2 LYS 36 7.686 -6.115 13.216 315 HE3 LYS 36 HE1 LYS 36 7.247 -7.759 12.779 316 HZ1 LYS 36 HZ1 LYS 36 10.021 -6.860 13.302 317 HZ2 LYS 36 HZ2 LYS 36 9.505 -8.458 13.043 318 HZ3 LYS 36 HZ3 LYS 36 9.032 -7.628 14.441 319 H CYS 37 HN CYS 37 11.076 -7.534 8.670 320 HA CYS 37 HA CYS 37 8.767 -8.995 7.548 321 HB2 CYS 37 HB2 CYS 37 11.617 -9.077 6.833 322 HB3 CYS 37 HB1 CYS 37 10.918 -10.664 7.133 323 HG CYS 37 HG CYS 37 9.165 -10.668 5.113 324 H ASP 38 HN ASP 38 7.864 -10.361 8.988 325 HA ASP 38 HA ASP 38 9.648 -11.605 10.962 326 HB2 ASP 38 HB2 ASP 38 8.083 -9.647 11.799 327 HB3 ASP 38 HB1 ASP 38 6.854 -10.908 11.765 328 H VAL 39 HN VAL 39 9.497 -13.795 10.905 329 HA VAL 39 HA VAL 39 6.951 -14.917 9.974 330 HB VAL 39 HB VAL 39 8.623 -15.298 8.264 331 HG11 VAL 39 HG11 VAL 39 10.246 -16.707 10.366 332 HG12 VAL 39 HG12 VAL 39 10.673 -15.235 9.497 333 HG13 VAL 39 HG13 VAL 39 10.572 -16.771 8.636 334 HG21 VAL 39 HG21 VAL 39 6.936 -17.015 8.511 335 HG22 VAL 39 HG22 VAL 39 7.936 -17.863 9.691 336 HG23 VAL 39 HG23 VAL 39 8.469 -17.733 8.015 337 H LYS 40 HN LYS 40 5.851 -16.026 11.374 338 HA LYS 40 HA LYS 40 7.194 -17.121 13.773 339 HB2 LYS 40 HB2 LYS 40 4.335 -16.154 13.593 340 HB3 LYS 40 HB1 LYS 40 5.191 -16.652 15.041 341 HG2 LYS 40 HG2 LYS 40 6.670 -14.540 13.906 342 HG3 LYS 40 HG1 LYS 40 4.972 -14.058 13.884 343 HD2 LYS 40 HD2 LYS 40 4.864 -14.785 16.300 344 HD3 LYS 40 HD1 LYS 40 6.622 -14.923 16.245 345 HE2 LYS 40 HE2 LYS 40 6.749 -12.558 15.558 346 HE3 LYS 40 HE1 LYS 40 4.998 -12.442 15.728 347 HZ1 LYS 40 HZ1 LYS 40 5.317 -13.136 18.087 348 HZ2 LYS 40 HZ2 LYS 40 5.962 -11.626 17.706 349 HZ3 LYS 40 HZ3 LYS 40 6.984 -12.959 17.861 350 H LYS 41 HN LYS 41 6.202 -19.105 14.665 351 HA LYS 41 HA LYS 41 4.264 -20.379 12.880 352 HB2 LYS 41 HB2 LYS 41 5.321 -22.466 12.820 353 HB3 LYS 41 HB1 LYS 41 6.633 -21.332 12.588 354 HG2 LYS 41 HG2 LYS 41 5.989 -22.653 15.225 355 HG3 LYS 41 HG1 LYS 41 7.144 -23.286 14.064 356 HD2 LYS 41 HD2 LYS 41 7.354 -20.589 15.414 357 HD3 LYS 41 HD1 LYS 41 8.200 -22.044 15.935 358 HE2 LYS 41 HE2 LYS 41 9.243 -22.123 13.643 359 HE3 LYS 41 HE1 LYS 41 8.549 -20.530 13.351 360 HZ1 LYS 41 HZ1 LYS 41 10.825 -20.341 14.084 361 HZ2 LYS 41 HZ2 LYS 41 10.491 -21.223 15.489 362 HZ3 LYS 41 HZ3 LYS 41 9.798 -19.697 15.265 363 H THR 42 HN THR 42 2.742 -21.783 13.871 364 HA THR 42 HA THR 42 2.608 -21.520 16.795 365 HB THR 42 HB THR 42 0.595 -20.781 15.518 366 HG1 THR 42 HG1 THR 42 -0.202 -21.316 17.398 367 HG21 THR 42 HG21 THR 42 0.356 -23.699 14.779 368 HG22 THR 42 HG22 THR 42 0.629 -22.354 13.670 369 HG23 THR 42 HG23 THR 42 -0.900 -22.481 14.543 370 H VAL 43 HN VAL 43 1.783 -23.451 17.984 371 HA VAL 43 HA VAL 43 3.408 -25.747 17.421 372 HB VAL 43 HB VAL 43 2.426 -26.699 19.520 373 HG11 VAL 43 HG11 VAL 43 3.510 -23.890 19.695 374 HG12 VAL 43 HG12 VAL 43 4.452 -25.381 19.634 375 HG13 VAL 43 HG13 VAL 43 3.436 -25.033 21.034 376 HG21 VAL 43 HG21 VAL 43 0.214 -25.650 19.423 377 HG22 VAL 43 HG22 VAL 43 0.949 -24.065 19.658 378 HG23 VAL 43 HG23 VAL 43 1.029 -25.270 20.941 379 H SER 44 HN SER 44 0.318 -24.872 16.405 380 HA SER 44 HA SER 44 -0.855 -27.497 16.271 381 HB2 SER 44 HB2 SER 44 -2.194 -25.400 16.452 382 HB3 SER 44 HB1 SER 44 -1.648 -24.940 14.845 383 HG SER 44 HG SER 44 -2.634 -27.247 14.406 384 H GLY 45 HN GLY 45 1.557 -25.898 14.479 385 HA2 GLY 45 HA2 GLY 45 2.804 -27.200 12.877 386 HA3 GLY 45 HA1 GLY 45 1.292 -27.925 12.369 387 H ALA 46 HN ALA 46 0.470 -24.821 12.641 388 HA ALA 46 HA ALA 46 0.833 -24.328 9.796 389 HB1 ALA 46 HB1 ALA 46 -0.720 -22.748 11.840 390 HB2 ALA 46 HB2 ALA 46 -1.384 -23.977 10.767 391 HB3 ALA 46 HB3 ALA 46 -0.728 -22.484 10.097 392 H ALA 47 HN ALA 47 1.941 -22.660 8.917 393 HA ALA 47 HA ALA 47 3.652 -21.067 10.695 394 HB1 ALA 47 HB1 ALA 47 5.141 -20.768 8.767 395 HB2 ALA 47 HB2 ALA 47 4.040 -21.716 7.767 396 HB3 ALA 47 HB3 ALA 47 4.889 -22.480 9.111 397 H PHE 48 HN PHE 48 3.825 -18.810 10.339 398 HA PHE 48 HA PHE 48 1.957 -17.621 8.404 399 HB2 PHE 48 HB2 PHE 48 2.283 -16.207 11.014 400 HB3 PHE 48 HB1 PHE 48 0.927 -16.184 9.902 401 HD1 PHE 48 HD1 PHE 48 -0.722 -18.069 9.956 402 HD2 PHE 48 HD2 PHE 48 2.349 -17.630 12.863 403 HE1 PHE 48 HE1 PHE 48 -1.959 -19.554 11.473 404 HE2 PHE 48 HE2 PHE 48 1.132 -19.111 14.379 405 HZ PHE 48 HZ PHE 48 -1.028 -20.078 13.693 406 H ALA 49 HN ALA 49 2.644 -15.629 7.609 407 HA ALA 49 HA ALA 49 5.100 -14.545 8.722 408 HB1 ALA 49 HB1 ALA 49 5.601 -15.617 6.556 409 HB2 ALA 49 HB2 ALA 49 5.863 -13.874 6.526 410 HB3 ALA 49 HB3 ALA 49 4.422 -14.559 5.781 411 H PHE 50 HN PHE 50 5.150 -12.478 9.043 412 HA PHE 50 HA PHE 50 2.797 -10.842 8.377 413 HB2 PHE 50 HB2 PHE 50 3.241 -11.416 10.846 414 HB3 PHE 50 HB1 PHE 50 4.682 -10.416 10.711 415 HD1 PHE 50 HD1 PHE 50 0.999 -10.386 10.445 416 HD2 PHE 50 HD2 PHE 50 4.541 -8.070 10.906 417 HE1 PHE 50 HE1 PHE 50 -0.367 -8.413 10.984 418 HE2 PHE 50 HE2 PHE 50 3.180 -6.092 11.443 419 HZ PHE 50 HZ PHE 50 0.723 -6.264 11.486 420 H ILE 51 HN ILE 51 3.242 -9.225 7.024 421 HA ILE 51 HA ILE 51 6.083 -8.535 6.638 422 HB ILE 51 HB ILE 51 4.480 -8.248 4.205 423 HG12 ILE 51 HG12 ILE 51 5.017 -11.076 5.165 424 HG13 ILE 51 HG11 ILE 51 3.426 -10.336 5.189 425 HG21 ILE 51 HG21 ILE 51 6.920 -8.039 4.360 426 HG22 ILE 51 HG22 ILE 51 6.442 -9.302 3.227 427 HG23 ILE 51 HG23 ILE 51 7.025 -9.736 4.831 428 HD11 ILE 51 HD11 ILE 51 5.092 -10.957 2.763 429 HD12 ILE 51 HD12 ILE 51 3.554 -10.097 2.730 430 HD13 ILE 51 HD13 ILE 51 3.617 -11.773 3.280 431 H GLU 52 HN GLU 52 6.534 -6.394 6.692 432 HA GLU 52 HA GLU 52 4.284 -4.517 6.506 433 HB2 GLU 52 HB2 GLU 52 6.801 -4.233 8.150 434 HB3 GLU 52 HB1 GLU 52 5.523 -3.037 8.044 435 HG2 GLU 52 HG2 GLU 52 3.960 -4.815 8.939 436 HG3 GLU 52 HG1 GLU 52 5.397 -5.764 9.295 437 H PHE 53 HN PHE 53 4.328 -3.373 4.656 438 HA PHE 53 HA PHE 53 6.941 -2.527 3.555 439 HB2 PHE 53 HB2 PHE 53 4.309 -2.490 2.074 440 HB3 PHE 53 HB1 PHE 53 5.906 -2.213 1.412 441 HD1 PHE 53 HD1 PHE 53 7.146 -4.670 2.940 442 HD2 PHE 53 HD2 PHE 53 3.726 -4.115 0.516 443 HE1 PHE 53 HE1 PHE 53 7.257 -7.025 2.285 444 HE2 PHE 53 HE2 PHE 53 3.806 -6.474 -0.156 445 HZ PHE 53 HZ PHE 53 5.553 -7.920 0.762 446 H GLU 54 HN GLU 54 6.918 -0.333 2.461 447 HA GLU 54 HA GLU 54 5.439 1.589 4.016 448 HB2 GLU 54 HB2 GLU 54 6.583 3.317 2.766 449 HB3 GLU 54 HB1 GLU 54 7.720 2.116 3.342 450 HG2 GLU 54 HG2 GLU 54 7.857 1.156 1.094 451 HG3 GLU 54 HG1 GLU 54 6.686 2.340 0.513 452 H ASP 55 HN ASP 55 5.013 0.061 0.884 453 HA ASP 55 HA ASP 55 2.834 1.957 0.320 454 HB2 ASP 55 HB2 ASP 55 4.875 0.809 -1.538 455 HB3 ASP 55 HB1 ASP 55 3.281 1.240 -2.155 456 H ALA 56 HN ALA 56 0.930 1.251 0.121 457 HA ALA 56 HA ALA 56 0.336 -1.530 0.408 458 HB1 ALA 56 HB1 ALA 56 -1.542 0.796 0.169 459 HB2 ALA 56 HB2 ALA 56 -0.795 0.233 1.665 460 HB3 ALA 56 HB3 ALA 56 -1.916 -0.810 0.788 461 H ARG 57 HN ARG 57 -0.220 0.805 -2.280 462 HA ARG 57 HA ARG 57 -2.108 -0.989 -3.487 463 HB2 ARG 57 HB2 ARG 57 -2.673 0.659 -5.013 464 HB3 ARG 57 HB1 ARG 57 -2.196 1.574 -3.601 465 HG2 ARG 57 HG2 ARG 57 -0.303 1.079 -5.876 466 HG3 ARG 57 HG1 ARG 57 -1.450 2.415 -5.889 467 HD2 ARG 57 HD2 ARG 57 -0.198 3.624 -4.486 468 HD3 ARG 57 HD1 ARG 57 0.096 2.251 -3.421 469 HE ARG 57 HE ARG 57 1.630 1.772 -5.652 470 HH11 ARG 57 HH11 ARG 57 1.425 4.404 -3.328 471 HH12 ARG 57 HH12 ARG 57 3.097 4.827 -3.479 472 HH21 ARG 57 HH22 ARG 57 3.809 2.282 -5.798 473 HH22 ARG 57 HH21 ARG 57 4.457 3.615 -4.890 474 H ASP 58 HN ASP 58 1.306 -0.506 -3.941 475 HA ASP 58 HA ASP 58 1.406 -1.971 -6.426 476 HB2 ASP 58 HB2 ASP 58 3.367 -0.681 -4.618 477 HB3 ASP 58 HB1 ASP 58 3.968 -2.038 -5.569 478 H ALA 59 HN ALA 59 1.594 -2.696 -3.052 479 HA ALA 59 HA ALA 59 2.485 -5.392 -3.191 480 HB1 ALA 59 HB1 ALA 59 0.923 -3.985 -1.040 481 HB2 ALA 59 HB2 ALA 59 2.675 -4.015 -1.185 482 HB3 ALA 59 HB3 ALA 59 1.792 -5.508 -0.862 483 H ALA 60 HN ALA 60 -0.552 -3.843 -3.616 484 HA ALA 60 HA ALA 60 -2.382 -5.873 -3.154 485 HB1 ALA 60 HB1 ALA 60 -2.990 -3.545 -3.485 486 HB2 ALA 60 HB2 ALA 60 -3.900 -4.606 -4.558 487 HB3 ALA 60 HB3 ALA 60 -2.546 -3.664 -5.186 488 H ASP 61 HN ASP 61 -0.247 -5.413 -5.941 489 HA ASP 61 HA ASP 61 -1.474 -7.301 -7.673 490 HB2 ASP 61 HB2 ASP 61 1.238 -6.056 -7.548 491 HB3 ASP 61 HB1 ASP 61 0.942 -7.392 -8.660 492 H ALA 62 HN ALA 62 1.081 -7.570 -5.253 493 HA ALA 62 HA ALA 62 1.659 -10.303 -5.594 494 HB1 ALA 62 HB1 ALA 62 2.706 -10.174 -3.402 495 HB2 ALA 62 HB2 ALA 62 1.904 -8.631 -3.098 496 HB3 ALA 62 HB3 ALA 62 3.115 -8.761 -4.372 497 H ILE 63 HN ILE 63 -0.639 -8.620 -3.416 498 HA ILE 63 HA ILE 63 -1.499 -11.091 -2.296 499 HB ILE 63 HB ILE 63 -1.671 -8.765 -1.214 500 HG12 ILE 63 HG12 ILE 63 -2.619 -11.041 -0.363 501 HG13 ILE 63 HG11 ILE 63 -3.173 -9.565 0.396 502 HG21 ILE 63 HG21 ILE 63 -4.406 -8.707 -2.447 503 HG22 ILE 63 HG22 ILE 63 -3.030 -7.841 -3.121 504 HG23 ILE 63 HG23 ILE 63 -3.599 -7.461 -1.493 505 HD11 ILE 63 HD11 ILE 63 -4.653 -11.513 -1.280 506 HD12 ILE 63 HD12 ILE 63 -5.132 -9.820 -1.358 507 HD13 ILE 63 HD13 ILE 63 -5.144 -10.666 0.187 508 H LYS 64 HN LYS 64 -2.570 -9.289 -5.178 509 HA LYS 64 HA LYS 64 -4.877 -10.977 -5.389 510 HB2 LYS 64 HB2 LYS 64 -5.364 -9.995 -7.546 511 HB3 LYS 64 HB1 LYS 64 -5.015 -8.754 -6.363 512 HG2 LYS 64 HG2 LYS 64 -3.861 -7.909 -8.115 513 HG3 LYS 64 HG1 LYS 64 -2.608 -8.925 -7.408 514 HD2 LYS 64 HD2 LYS 64 -3.125 -10.698 -9.021 515 HD3 LYS 64 HD1 LYS 64 -4.376 -9.677 -9.731 516 HE2 LYS 64 HE2 LYS 64 -1.472 -8.907 -9.573 517 HE3 LYS 64 HE1 LYS 64 -2.200 -9.693 -10.974 518 HZ1 LYS 64 HZ1 LYS 64 -3.647 -7.829 -11.273 519 HZ2 LYS 64 HZ2 LYS 64 -2.055 -7.254 -11.169 520 HZ3 LYS 64 HZ3 LYS 64 -3.099 -7.098 -9.848 521 H GLU 65 HN GLU 65 -1.541 -11.294 -6.553 522 HA GLU 65 HA GLU 65 -2.413 -13.601 -8.067 523 HB2 GLU 65 HB2 GLU 65 -0.109 -14.017 -8.676 524 HB3 GLU 65 HB1 GLU 65 -0.571 -12.360 -9.008 525 HG2 GLU 65 HG2 GLU 65 0.723 -11.535 -7.236 526 HG3 GLU 65 HG1 GLU 65 0.925 -13.143 -6.537 527 H LYS 66 HN LYS 66 -1.397 -13.069 -4.788 528 HA LYS 66 HA LYS 66 -1.189 -15.988 -4.458 529 HB2 LYS 66 HB2 LYS 66 -0.768 -13.884 -2.332 530 HB3 LYS 66 HB1 LYS 66 -0.397 -15.595 -2.202 531 HG2 LYS 66 HG2 LYS 66 0.958 -13.610 -4.018 532 HG3 LYS 66 HG1 LYS 66 1.620 -14.269 -2.526 533 HD2 LYS 66 HD2 LYS 66 1.871 -16.431 -3.494 534 HD3 LYS 66 HD1 LYS 66 0.878 -15.999 -4.888 535 HE2 LYS 66 HE2 LYS 66 2.618 -14.258 -5.445 536 HE3 LYS 66 HE1 LYS 66 3.632 -14.986 -4.204 537 HZ1 LYS 66 HZ1 LYS 66 4.039 -15.746 -6.542 538 HZ2 LYS 66 HZ2 LYS 66 2.537 -16.521 -6.493 539 HZ3 LYS 66 HZ3 LYS 66 3.762 -16.987 -5.427 540 H ASP 67 HN ASP 67 -3.582 -13.944 -4.725 541 HA ASP 67 HA ASP 67 -5.480 -14.371 -2.714 542 HB2 ASP 67 HB2 ASP 67 -5.696 -12.637 -4.406 543 HB3 ASP 67 HB1 ASP 67 -5.791 -13.862 -5.679 544 H GLY 68 HN GLY 68 -7.524 -15.795 -2.875 545 HA2 GLY 68 HA2 GLY 68 -8.187 -18.086 -3.464 546 HA3 GLY 68 HA1 GLY 68 -6.486 -18.448 -3.675 547 H CYS 69 HN CYS 69 -7.544 -16.498 -1.015 548 HA CYS 69 HA CYS 69 -6.368 -18.085 0.987 549 HB2 CYS 69 HB2 CYS 69 -6.757 -15.759 1.409 550 HB3 CYS 69 HB1 CYS 69 -8.473 -15.909 1.058 551 HG CYS 69 HG CYS 69 -9.258 -16.436 3.434 552 H ASP 70 HN ASP 70 -7.061 -19.657 2.233 553 HA ASP 70 HA ASP 70 -9.776 -20.690 1.957 554 HB2 ASP 70 HB2 ASP 70 -7.299 -21.934 0.999 555 HB3 ASP 70 HB1 ASP 70 -8.368 -23.000 1.900 556 H PHE 71 HN PHE 71 -10.636 -21.597 3.579 557 HA PHE 71 HA PHE 71 -9.212 -22.287 6.016 558 HB2 PHE 71 HB2 PHE 71 -9.852 -19.827 6.147 559 HB3 PHE 71 HB1 PHE 71 -11.532 -20.349 6.112 560 HD1 PHE 71 HD2 PHE 71 -8.396 -21.195 7.982 561 HD2 PHE 71 HD1 PHE 71 -12.599 -20.513 8.149 562 HE1 PHE 71 HE2 PHE 71 -8.351 -21.541 10.419 563 HE2 PHE 71 HE1 PHE 71 -12.555 -20.866 10.581 564 HZ PHE 71 HZ PHE 71 -10.434 -21.373 11.722 565 H GLU 72 HN GLU 72 -10.419 -23.724 7.393 566 HA GLU 72 HA GLU 72 -11.861 -25.335 7.988 567 HB2 GLU 72 HB2 GLU 72 -13.795 -24.134 6.011 568 HB3 GLU 72 HB1 GLU 72 -14.177 -25.472 7.078 569 HG2 GLU 72 HG2 GLU 72 -13.818 -24.051 9.028 570 HG3 GLU 72 HG1 GLU 72 -13.358 -22.719 7.971 571 H GLY 73 HN GLY 73 -10.053 -26.409 6.868 572 HA2 GLY 73 HA2 GLY 73 -9.838 -28.703 6.341 573 HA3 GLY 73 HA1 GLY 73 -11.271 -28.590 5.335 574 H ASN 74 HN ASN 74 -9.924 -26.012 4.164 575 HA ASN 74 HA ASN 74 -7.600 -27.313 2.920 576 HB2 ASN 74 HB2 ASN 74 -9.472 -26.729 1.296 577 HB3 ASN 74 HB1 ASN 74 -9.174 -25.037 1.681 578 HD21 ASN 74 HD21 ASN 74 -8.602 -24.596 -0.465 579 HD22 ASN 74 HD22 ASN 74 -7.078 -25.088 -1.117 580 H LYS 75 HN LYS 75 -5.719 -26.415 3.487 581 HA LYS 75 HA LYS 75 -5.817 -24.015 5.146 582 HB2 LYS 75 HB2 LYS 75 -3.873 -26.268 4.832 583 HB3 LYS 75 HB1 LYS 75 -3.284 -24.735 5.441 584 HG2 LYS 75 HG2 LYS 75 -3.718 -26.017 7.346 585 HG3 LYS 75 HG1 LYS 75 -5.094 -24.925 7.226 586 HD2 LYS 75 HD2 LYS 75 -5.586 -27.401 5.800 587 HD3 LYS 75 HD1 LYS 75 -5.166 -27.705 7.485 588 HE2 LYS 75 HE2 LYS 75 -7.306 -25.801 6.545 589 HE3 LYS 75 HE1 LYS 75 -7.598 -27.441 7.121 590 HZ1 LYS 75 HZ1 LYS 75 -7.970 -25.755 8.840 591 HZ2 LYS 75 HZ2 LYS 75 -6.353 -25.273 8.723 592 HZ3 LYS 75 HZ3 LYS 75 -6.734 -26.828 9.269 593 H LEU 76 HN LEU 76 -5.702 -22.119 3.885 594 HA LEU 76 HA LEU 76 -3.188 -21.625 2.572 595 HB2 LEU 76 HB2 LEU 76 -5.215 -22.806 1.005 596 HB3 LEU 76 HB1 LEU 76 -5.136 -21.127 0.510 597 HG LEU 76 HG LEU 76 -2.703 -22.918 0.583 598 HD11 LEU 76 HD11 LEU 76 -3.018 -23.192 -1.838 599 HD12 LEU 76 HD12 LEU 76 -4.566 -22.356 -1.724 600 HD13 LEU 76 HD13 LEU 76 -4.343 -23.908 -0.919 601 HD21 LEU 76 HD21 LEU 76 -3.273 -20.354 -0.898 602 HD22 LEU 76 HD22 LEU 76 -1.764 -21.266 -0.928 603 HD23 LEU 76 HD23 LEU 76 -2.298 -20.490 0.563 604 H ARG 77 HN ARG 77 -3.705 -19.890 4.409 605 HA ARG 77 HA ARG 77 -5.650 -17.913 3.423 606 HB2 ARG 77 HB2 ARG 77 -6.230 -18.119 5.616 607 HB3 ARG 77 HB1 ARG 77 -4.653 -18.704 6.095 608 HG2 ARG 77 HG2 ARG 77 -5.088 -16.704 7.297 609 HG3 ARG 77 HG1 ARG 77 -3.851 -16.332 6.105 610 HD2 ARG 77 HD2 ARG 77 -5.100 -14.585 5.508 611 HD3 ARG 77 HD1 ARG 77 -6.247 -15.731 4.829 612 HE ARG 77 HE ARG 77 -7.524 -15.598 6.850 613 HH11 ARG 77 HH12 ARG 77 -4.972 -13.175 6.627 614 HH12 ARG 77 HH11 ARG 77 -5.705 -12.117 7.785 615 HH21 ARG 77 HH21 ARG 77 -8.491 -14.180 8.364 616 HH22 ARG 77 HH22 ARG 77 -7.706 -12.690 8.772 617 H VAL 78 HN VAL 78 -4.873 -16.410 2.086 618 HA VAL 78 HA VAL 78 -2.477 -14.934 2.994 619 HB VAL 78 HB VAL 78 -3.309 -15.022 0.084 620 HG11 VAL 78 HG11 VAL 78 -0.988 -14.298 -0.291 621 HG12 VAL 78 HG12 VAL 78 -0.727 -14.280 1.448 622 HG13 VAL 78 HG13 VAL 78 -1.892 -13.177 0.720 623 HG21 VAL 78 HG21 VAL 78 -1.240 -16.831 1.335 624 HG22 VAL 78 HG22 VAL 78 -1.548 -16.652 -0.387 625 HG23 VAL 78 HG23 VAL 78 -2.787 -17.336 0.664 626 H GLU 79 HN GLU 79 -3.137 -12.889 3.646 627 HA GLU 79 HA GLU 79 -5.187 -11.540 2.103 628 HB2 GLU 79 HB2 GLU 79 -6.393 -12.966 3.771 629 HB3 GLU 79 HB1 GLU 79 -5.630 -12.030 5.047 630 HG2 GLU 79 HG2 GLU 79 -6.721 -10.000 4.119 631 HG3 GLU 79 HG1 GLU 79 -7.578 -11.042 2.983 632 H VAL 80 HN VAL 80 -4.981 -9.352 2.116 633 HA VAL 80 HA VAL 80 -3.110 -8.161 3.991 634 HB VAL 80 HB VAL 80 -3.520 -6.019 2.744 635 HG11 VAL 80 HG11 VAL 80 -1.586 -6.798 1.973 636 HG12 VAL 80 HG12 VAL 80 -2.501 -7.284 0.544 637 HG13 VAL 80 HG13 VAL 80 -2.194 -8.445 1.836 638 HG21 VAL 80 HG21 VAL 80 -5.704 -6.532 1.742 639 HG22 VAL 80 HG22 VAL 80 -4.964 -7.806 0.776 640 HG23 VAL 80 HG23 VAL 80 -4.506 -6.126 0.513 641 HA PRO 81 HA PRO 81 -6.495 -6.392 6.402 642 HB2 PRO 81 HB2 PRO 81 -4.965 -5.615 8.503 643 HB3 PRO 81 HB1 PRO 81 -5.531 -7.283 8.305 644 HG2 PRO 81 HG2 PRO 81 -2.856 -6.120 7.802 645 HG3 PRO 81 HG1 PRO 81 -3.291 -7.732 8.401 646 HD2 PRO 81 HD2 PRO 81 -2.546 -7.128 5.800 647 HD3 PRO 81 HD1 PRO 81 -3.416 -8.589 6.300 648 H PHE 82 HN PHE 82 -4.277 -4.955 4.457 649 HA PHE 82 HA PHE 82 -4.766 -2.298 5.602 650 HB2 PHE 82 HB2 PHE 82 -3.057 -1.390 4.079 651 HB3 PHE 82 HB1 PHE 82 -2.410 -2.646 5.107 652 HD1 PHE 82 HD2 PHE 82 -3.963 -2.477 1.682 653 HD2 PHE 82 HD1 PHE 82 -0.795 -3.900 4.130 654 HE1 PHE 82 HE2 PHE 82 -2.893 -3.469 -0.288 655 HE2 PHE 82 HE1 PHE 82 0.285 -4.872 2.169 656 HZ PHE 82 HZ PHE 82 -0.760 -4.669 -0.050 657 H ASN 83 HN ASN 83 -5.914 -4.334 3.182 658 HA ASN 83 HA ASN 83 -7.225 -4.219 1.369 659 HB2 ASN 83 HB2 ASN 83 -8.104 -1.852 2.861 660 HB3 ASN 83 HB1 ASN 83 -8.459 -1.794 1.142 661 HD21 ASN 83 HD21 ASN 83 -8.874 -4.615 0.777 662 HD22 ASN 83 HD22 ASN 83 -10.351 -5.015 1.580 663 H ALA 84 HN ALA 84 -6.316 -0.727 1.292 664 HA ALA 84 HA ALA 84 -4.374 -1.211 -0.807 665 HB1 ALA 84 HB1 ALA 84 -5.450 0.248 -2.465 666 HB2 ALA 84 HB2 ALA 84 -6.862 0.398 -1.424 667 HB3 ALA 84 HB3 ALA 84 -6.442 -1.168 -2.123 668 H ARG 85 HN ARG 85 -3.769 1.237 -1.710 669 HA ARG 85 HA ARG 85 -3.057 2.749 0.665 670 HB2 ARG 85 HB2 ARG 85 -1.658 2.301 -1.553 671 HB3 ARG 85 HB1 ARG 85 -2.497 3.737 -2.114 672 HG2 ARG 85 HG2 ARG 85 -0.895 3.690 0.434 673 HG3 ARG 85 HG1 ARG 85 -0.175 4.050 -1.128 674 HD2 ARG 85 HD2 ARG 85 -1.762 5.952 -1.362 675 HD3 ARG 85 HD1 ARG 85 -2.348 5.616 0.270 676 HE ARG 85 HE ARG 85 0.507 5.973 0.071 677 HH11 ARG 85 HH12 ARG 85 -2.560 7.627 0.636 678 HH12 ARG 85 HH11 ARG 85 -1.803 8.962 1.450 679 HH21 ARG 85 HH22 ARG 85 1.471 7.734 1.087 680 HH22 ARG 85 HH21 ARG 85 0.496 9.024 1.708 681 H GLU 86 HN GLU 86 -4.247 4.324 1.457 682 HA GLU 86 HA GLU 86 -6.693 5.212 0.355 683 HB2 GLU 86 HB2 GLU 86 -5.978 5.074 2.799 684 HB3 GLU 86 HB1 GLU 86 -5.081 6.558 2.518 685 HG2 GLU 86 HG2 GLU 86 -6.943 7.552 3.248 686 HG3 GLU 86 HG1 GLU 86 -7.530 7.267 1.612 Start of MODEL 16 1 H1 GLY -2 HT1 GLY -2 -9.130 2.143 -5.811 2 H2 GLY -2 HT2 GLY -2 -8.618 3.481 -6.706 3 H3 GLY -2 HT3 GLY -2 -10.270 3.177 -6.513 4 HA2 GLY -2 HA1 GLY -2 -9.604 4.977 -5.060 5 HA3 GLY -2 HA2 GLY -2 -10.106 3.565 -4.140 6 H SER -1 HN SER -1 -7.807 5.897 -4.393 7 HA SER -1 HA SER -1 -6.171 4.611 -2.415 8 HB2 SER -1 HB2 SER -1 -4.029 5.070 -3.720 9 HB3 SER -1 HB1 SER -1 -4.993 3.707 -4.287 10 HG SER -1 HG SER -1 -5.385 6.266 -5.378 11 H HIS 0 HN HIS 0 -6.399 6.155 -0.962 12 HA HIS 0 HA HIS 0 -5.198 8.770 -1.485 13 HB2 HIS 0 HB2 HIS 0 -7.958 8.474 -1.673 14 HB3 HIS 0 HB1 HIS 0 -7.721 9.024 -0.019 15 HD1 HIS 0 HD1 HIS 0 -6.335 10.082 -3.412 16 HD2 HIS 0 HD2 HIS 0 -7.889 11.703 0.089 17 HE1 HIS 0 HE1 HIS 0 -6.286 12.583 -3.741 18 HE2 HIS 0 HE2 HIS 0 -7.193 13.541 -1.590 19 H MET 1 HN MET 1 -5.554 10.035 0.868 20 HA MET 1 HA MET 1 -5.321 10.194 3.108 21 HB2 MET 1 HB2 MET 1 -6.143 7.293 3.145 22 HB3 MET 1 HB1 MET 1 -5.870 8.245 4.593 23 HG2 MET 1 HG2 MET 1 -8.125 8.469 4.447 24 HG3 MET 1 HG1 MET 1 -7.663 9.834 3.441 25 HE1 MET 1 HE1 MET 1 -10.246 9.755 2.467 26 HE2 MET 1 HE2 MET 1 -10.538 8.359 3.508 27 HE3 MET 1 HE3 MET 1 -10.949 8.283 1.795 28 H VAL 2 HN VAL 2 -3.793 10.033 4.722 29 HA VAL 2 HA VAL 2 -1.565 8.154 4.318 30 HB VAL 2 HB VAL 2 0.056 9.951 5.029 31 HG11 VAL 2 HG11 VAL 2 -1.368 10.430 2.413 32 HG12 VAL 2 HG12 VAL 2 -0.090 9.249 2.701 33 HG13 VAL 2 HG13 VAL 2 0.263 10.973 2.818 34 HG21 VAL 2 HG21 VAL 2 -1.487 11.564 5.998 35 HG22 VAL 2 HG22 VAL 2 -2.245 11.818 4.426 36 HG23 VAL 2 HG23 VAL 2 -0.572 12.309 4.687 37 H ILE 3 HN ILE 3 -0.230 7.809 6.230 38 HA ILE 3 HA ILE 3 -1.194 8.845 8.757 39 HB ILE 3 HB ILE 3 -2.571 6.781 8.314 40 HG12 ILE 3 HG12 ILE 3 -0.800 6.290 10.695 41 HG13 ILE 3 HG11 ILE 3 -1.856 7.697 10.638 42 HG21 ILE 3 HG21 ILE 3 -1.520 4.566 8.600 43 HG22 ILE 3 HG22 ILE 3 0.066 5.339 8.596 44 HG23 ILE 3 HG23 ILE 3 -0.948 5.403 7.155 45 HD11 ILE 3 HD11 ILE 3 -2.882 5.868 11.856 46 HD12 ILE 3 HD12 ILE 3 -2.722 4.822 10.444 47 HD13 ILE 3 HD13 ILE 3 -3.789 6.225 10.387 48 H ARG 4 HN ARG 4 0.433 8.859 10.366 49 HA ARG 4 HA ARG 4 3.057 7.851 9.475 50 HB2 ARG 4 HB2 ARG 4 2.371 10.552 10.574 51 HB3 ARG 4 HB1 ARG 4 3.966 9.877 10.852 52 HG2 ARG 4 HG2 ARG 4 4.458 10.972 8.955 53 HG3 ARG 4 HG1 ARG 4 3.788 9.531 8.193 54 HD2 ARG 4 HD2 ARG 4 1.649 10.620 7.915 55 HD3 ARG 4 HD1 ARG 4 2.212 12.030 8.811 56 HE ARG 4 HE ARG 4 2.916 11.291 6.073 57 HH11 ARG 4 HH12 ARG 4 3.423 13.502 8.768 58 HH12 ARG 4 HH11 ARG 4 4.160 14.723 7.789 59 HH21 ARG 4 HH22 ARG 4 3.913 12.931 4.796 60 HH22 ARG 4 HH21 ARG 4 4.436 14.403 5.549 61 H GLU 5 HN GLU 5 0.851 7.107 11.627 62 HA GLU 5 HA GLU 5 2.807 6.680 13.786 63 HB2 GLU 5 HB2 GLU 5 0.817 8.502 14.049 64 HB3 GLU 5 HB1 GLU 5 -0.013 7.057 14.611 65 HG2 GLU 5 HG2 GLU 5 2.011 6.709 16.137 66 HG3 GLU 5 HG1 GLU 5 2.421 8.378 15.760 67 H SER 6 HN SER 6 1.637 4.947 11.582 68 HA SER 6 HA SER 6 0.642 2.819 13.347 69 HB2 SER 6 HB2 SER 6 -1.202 3.924 11.961 70 HB3 SER 6 HB1 SER 6 -0.428 3.204 10.550 71 HG SER 6 HG SER 6 -2.101 1.887 11.417 72 H VAL 7 HN VAL 7 0.927 0.685 12.535 73 HA VAL 7 HA VAL 7 3.349 0.432 10.878 74 HB VAL 7 HB VAL 7 2.392 -1.716 12.751 75 HG11 VAL 7 HG11 VAL 7 4.155 -2.244 11.183 76 HG12 VAL 7 HG12 VAL 7 4.752 -2.289 12.843 77 HG13 VAL 7 HG13 VAL 7 5.126 -0.910 11.807 78 HG21 VAL 7 HG21 VAL 7 3.798 -0.851 14.546 79 HG22 VAL 7 HG22 VAL 7 2.487 0.266 14.161 80 HG23 VAL 7 HG23 VAL 7 4.127 0.601 13.601 81 H SER 8 HN SER 8 2.647 -0.055 8.852 82 HA SER 8 HA SER 8 0.311 -1.708 8.462 83 HB2 SER 8 HB2 SER 8 1.133 -1.201 5.953 84 HB3 SER 8 HB1 SER 8 0.208 -0.041 6.903 85 HG SER 8 HG SER 8 2.813 0.059 6.032 86 H ARG 9 HN ARG 9 0.293 -3.853 8.098 87 HA ARG 9 HA ARG 9 2.746 -5.235 7.238 88 HB2 ARG 9 HB2 ARG 9 1.114 -6.271 9.556 89 HB3 ARG 9 HB1 ARG 9 2.675 -6.850 9.004 90 HG2 ARG 9 HG2 ARG 9 3.726 -5.485 10.404 91 HG3 ARG 9 HG1 ARG 9 2.874 -4.084 9.752 92 HD2 ARG 9 HD2 ARG 9 1.990 -5.905 11.990 93 HD3 ARG 9 HD1 ARG 9 2.360 -4.183 12.076 94 HE ARG 9 HE ARG 9 0.271 -4.557 10.247 95 HH11 ARG 9 HH11 ARG 9 0.809 -4.756 13.708 96 HH12 ARG 9 HH12 ARG 9 -0.827 -4.404 14.112 97 HH21 ARG 9 HH22 ARG 9 -1.897 -4.089 10.784 98 HH22 ARG 9 HH21 ARG 9 -2.373 -4.023 12.447 99 H ILE 10 HN ILE 10 2.380 -7.462 6.545 100 HA ILE 10 HA ILE 10 -0.339 -7.954 5.472 101 HB ILE 10 HB ILE 10 2.290 -8.943 4.314 102 HG12 ILE 10 HG12 ILE 10 0.597 -6.649 3.321 103 HG13 ILE 10 HG11 ILE 10 2.139 -6.482 4.144 104 HG21 ILE 10 HG21 ILE 10 0.942 -9.469 2.309 105 HG22 ILE 10 HG22 ILE 10 -0.505 -8.972 3.188 106 HG23 ILE 10 HG23 ILE 10 0.423 -10.365 3.740 107 HD11 ILE 10 HD11 ILE 10 3.215 -7.700 2.289 108 HD12 ILE 10 HD12 ILE 10 2.447 -6.196 1.784 109 HD13 ILE 10 HD13 ILE 10 1.660 -7.740 1.454 110 H TYR 11 HN TYR 11 -1.161 -10.117 5.665 111 HA TYR 11 HA TYR 11 0.374 -11.807 7.553 112 HB2 TYR 11 HB2 TYR 11 -1.893 -10.725 8.205 113 HB3 TYR 11 HB1 TYR 11 -2.604 -11.905 7.119 114 HD1 TYR 11 HD1 TYR 11 -1.912 -14.445 7.659 115 HD2 TYR 11 HD2 TYR 11 -1.749 -11.219 10.425 116 HE1 TYR 11 HE1 TYR 11 -2.038 -16.040 9.525 117 HE2 TYR 11 HE2 TYR 11 -1.859 -12.805 12.296 118 HH TYR 11 HH TYR 11 -1.439 -16.156 11.898 119 H VAL 12 HN VAL 12 1.325 -13.437 6.382 120 HA VAL 12 HA VAL 12 -0.467 -14.918 4.582 121 HB VAL 12 HB VAL 12 1.504 -15.611 3.184 122 HG11 VAL 12 HG11 VAL 12 1.665 -13.540 1.923 123 HG12 VAL 12 HG12 VAL 12 1.006 -12.643 3.292 124 HG13 VAL 12 HG13 VAL 12 0.007 -13.828 2.453 125 HG21 VAL 12 HG21 VAL 12 3.340 -15.183 4.671 126 HG22 VAL 12 HG22 VAL 12 2.947 -13.463 4.734 127 HG23 VAL 12 HG23 VAL 12 3.511 -14.187 3.227 128 H GLY 13 HN GLY 13 -1.044 -16.745 5.544 129 HA2 GLY 13 HA2 GLY 13 1.007 -18.316 6.955 130 HA3 GLY 13 HA1 GLY 13 -0.532 -17.974 7.703 131 H ASN 14 HN ASN 14 0.333 -20.499 7.525 132 HA ASN 14 HA ASN 14 -0.358 -22.625 7.061 133 HB2 ASN 14 HB2 ASN 14 -2.789 -21.268 5.853 134 HB3 ASN 14 HB1 ASN 14 -2.683 -22.958 6.310 135 HD21 ASN 14 HD21 ASN 14 -3.033 -23.523 8.400 136 HD22 ASN 14 HD22 ASN 14 -3.513 -22.411 9.629 137 H LEU 15 HN LEU 15 1.161 -21.098 4.892 138 HA LEU 15 HA LEU 15 -0.203 -21.899 2.468 139 HB2 LEU 15 HB2 LEU 15 1.236 -20.400 1.266 140 HB3 LEU 15 HB1 LEU 15 0.575 -19.574 2.656 141 HG LEU 15 HG LEU 15 3.286 -20.775 2.908 142 HD11 LEU 15 HD11 LEU 15 3.377 -19.696 0.735 143 HD12 LEU 15 HD12 LEU 15 4.277 -18.757 1.924 144 HD13 LEU 15 HD13 LEU 15 2.672 -18.229 1.418 145 HD21 LEU 15 HD21 LEU 15 3.665 -18.701 4.218 146 HD22 LEU 15 HD22 LEU 15 2.355 -19.687 4.853 147 HD23 LEU 15 HD23 LEU 15 1.984 -18.244 3.913 148 HA PRO 16 HA PRO 16 2.413 -25.347 1.434 149 HB2 PRO 16 HB2 PRO 16 2.440 -25.119 -1.318 150 HB3 PRO 16 HB1 PRO 16 1.114 -25.821 -0.378 151 HG2 PRO 16 HG2 PRO 16 1.343 -23.097 -1.559 152 HG3 PRO 16 HG1 PRO 16 -0.061 -24.182 -1.456 153 HD2 PRO 16 HD2 PRO 16 0.243 -22.097 0.222 154 HD3 PRO 16 HD1 PRO 16 -0.524 -23.620 0.711 155 H SER 17 HN SER 17 4.466 -25.777 1.229 156 HA SER 17 HA SER 17 6.684 -25.623 1.132 157 HB2 SER 17 HB2 SER 17 7.871 -24.453 -0.504 158 HB3 SER 17 HB1 SER 17 6.305 -24.690 -1.268 159 HG SER 17 HG SER 17 7.489 -22.454 -1.106 160 H HIS 18 HN HIS 18 5.059 -22.527 1.699 161 HA HIS 18 HA HIS 18 5.223 -20.925 3.248 162 HB2 HIS 18 HB2 HIS 18 5.235 -22.629 4.973 163 HB3 HIS 18 HB1 HIS 18 6.959 -22.882 4.757 164 HD1 HIS 18 HD1 HIS 18 8.364 -21.726 6.434 165 HD2 HIS 18 HD2 HIS 18 4.743 -19.758 5.873 166 HE1 HIS 18 HE1 HIS 18 8.357 -19.850 8.100 167 HE2 HIS 18 HE2 HIS 18 6.240 -18.570 7.624 168 H VAL 19 HN VAL 19 6.105 -19.140 2.741 169 HA VAL 19 HA VAL 19 8.709 -18.894 1.619 170 HB VAL 19 HB VAL 19 8.325 -16.409 1.710 171 HG11 VAL 19 HG11 VAL 19 7.713 -17.704 -0.240 172 HG12 VAL 19 HG12 VAL 19 6.543 -16.413 0.028 173 HG13 VAL 19 HG13 VAL 19 6.141 -18.072 0.469 174 HG21 VAL 19 HG21 VAL 19 5.632 -17.188 2.861 175 HG22 VAL 19 HG22 VAL 19 6.047 -15.591 2.242 176 HG23 VAL 19 HG23 VAL 19 6.878 -16.229 3.661 177 H SER 20 HN SER 20 10.551 -18.584 2.499 178 HA SER 20 HA SER 20 10.846 -18.354 5.362 179 HB2 SER 20 HB2 SER 20 13.053 -18.269 3.281 180 HB3 SER 20 HB1 SER 20 13.175 -18.760 4.969 181 HG SER 20 HG SER 20 12.453 -20.204 2.762 182 H SER 21 HN SER 21 12.499 -16.666 6.171 183 HA SER 21 HA SER 21 11.579 -14.097 5.707 184 HB2 SER 21 HB2 SER 21 14.152 -15.061 6.936 185 HB3 SER 21 HB1 SER 21 13.685 -13.361 6.914 186 HG SER 21 HG SER 21 12.113 -13.757 8.317 187 H ARG 22 HN ARG 22 14.437 -15.682 4.291 188 HA ARG 22 HA ARG 22 15.469 -13.455 2.884 189 HB2 ARG 22 HB2 ARG 22 16.772 -15.514 3.344 190 HB3 ARG 22 HB1 ARG 22 15.725 -16.416 2.261 191 HG2 ARG 22 HG2 ARG 22 16.997 -14.067 1.055 192 HG3 ARG 22 HG1 ARG 22 18.115 -15.328 1.573 193 HD2 ARG 22 HD2 ARG 22 15.691 -15.986 -0.074 194 HD3 ARG 22 HD1 ARG 22 17.166 -15.395 -0.839 195 HE ARG 22 HE ARG 22 16.857 -17.929 0.625 196 HH11 ARG 22 HH12 ARG 22 18.730 -15.881 -1.540 197 HH12 ARG 22 HH11 ARG 22 19.843 -17.139 -1.965 198 HH21 ARG 22 HH22 ARG 22 18.354 -19.575 0.058 199 HH22 ARG 22 HH21 ARG 22 19.627 -19.228 -1.059 200 H ASP 23 HN ASP 23 13.306 -16.057 1.922 201 HA ASP 23 HA ASP 23 13.136 -15.366 -0.821 202 HB2 ASP 23 HB2 ASP 23 11.220 -17.056 0.821 203 HB3 ASP 23 HB1 ASP 23 11.301 -16.991 -0.938 204 H VAL 24 HN VAL 24 10.970 -14.763 1.952 205 HA VAL 24 HA VAL 24 9.091 -13.327 0.360 206 HB VAL 24 HB VAL 24 8.505 -14.403 2.553 207 HG11 VAL 24 HG11 VAL 24 10.043 -13.889 4.149 208 HG12 VAL 24 HG12 VAL 24 8.740 -12.769 4.560 209 HG13 VAL 24 HG13 VAL 24 10.152 -12.193 3.671 210 HG21 VAL 24 HG21 VAL 24 6.894 -12.697 3.232 211 HG22 VAL 24 HG22 VAL 24 6.964 -12.906 1.483 212 HG23 VAL 24 HG23 VAL 24 7.739 -11.512 2.235 213 H GLU 25 HN GLU 25 11.976 -12.368 2.211 214 HA GLU 25 HA GLU 25 11.545 -9.603 2.065 215 HB2 GLU 25 HB2 GLU 25 13.304 -10.624 3.471 216 HB3 GLU 25 HB1 GLU 25 14.214 -11.022 2.019 217 HG2 GLU 25 HG2 GLU 25 14.618 -8.718 1.534 218 HG3 GLU 25 HG1 GLU 25 13.490 -8.200 2.782 219 H ASN 26 HN ASN 26 13.316 -11.726 -0.237 220 HA ASN 26 HA ASN 26 13.987 -9.526 -1.942 221 HB2 ASN 26 HB2 ASN 26 15.285 -11.694 -1.681 222 HB3 ASN 26 HB1 ASN 26 14.046 -12.454 -2.672 223 HD21 ASN 26 HD21 ASN 26 16.712 -10.238 -2.612 224 HD22 ASN 26 HD22 ASN 26 16.907 -10.098 -4.323 225 H GLU 27 HN GLU 27 11.659 -12.225 -2.218 226 HA GLU 27 HA GLU 27 10.767 -11.484 -4.812 227 HB2 GLU 27 HB2 GLU 27 10.621 -13.813 -3.793 228 HB3 GLU 27 HB1 GLU 27 9.236 -13.225 -2.885 229 HG2 GLU 27 HG2 GLU 27 8.295 -14.289 -4.716 230 HG3 GLU 27 HG1 GLU 27 8.246 -12.584 -5.162 231 H PHE 28 HN PHE 28 9.403 -10.987 -1.536 232 HA PHE 28 HA PHE 28 7.148 -9.606 -2.652 233 HB2 PHE 28 HB2 PHE 28 7.854 -10.573 -0.025 234 HB3 PHE 28 HB1 PHE 28 7.261 -8.939 0.080 235 HD1 PHE 28 HD2 PHE 28 6.416 -12.375 -0.892 236 HD2 PHE 28 HD1 PHE 28 4.972 -8.417 -0.292 237 HE1 PHE 28 HE2 PHE 28 4.107 -13.216 -0.931 238 HE2 PHE 28 HE1 PHE 28 2.657 -9.251 -0.325 239 HZ PHE 28 HZ PHE 28 2.221 -11.655 -0.645 240 H ARG 29 HN ARG 29 10.391 -8.577 -1.536 241 HA ARG 29 HA ARG 29 9.634 -5.808 -1.469 242 HB2 ARG 29 HB2 ARG 29 11.808 -5.160 -1.150 243 HB3 ARG 29 HB1 ARG 29 11.809 -6.767 -0.447 244 HG2 ARG 29 HG2 ARG 29 13.249 -7.581 -1.976 245 HG3 ARG 29 HG1 ARG 29 12.589 -6.602 -3.288 246 HD2 ARG 29 HD2 ARG 29 13.654 -4.633 -1.875 247 HD3 ARG 29 HD1 ARG 29 14.679 -5.938 -1.278 248 HE ARG 29 HE ARG 29 15.644 -6.125 -3.356 249 HH11 ARG 29 HH12 ARG 29 12.915 -3.880 -3.532 250 HH12 ARG 29 HH11 ARG 29 13.358 -3.294 -5.099 251 HH21 ARG 29 HH22 ARG 29 16.186 -5.331 -5.412 252 HH22 ARG 29 HH21 ARG 29 15.211 -4.116 -6.163 253 H LYS 30 HN LYS 30 10.531 -7.967 -4.117 254 HA LYS 30 HA LYS 30 10.914 -5.912 -6.012 255 HB2 LYS 30 HB2 LYS 30 11.206 -7.609 -7.429 256 HB3 LYS 30 HB1 LYS 30 10.876 -8.680 -6.087 257 HG2 LYS 30 HG2 LYS 30 9.500 -9.530 -7.727 258 HG3 LYS 30 HG1 LYS 30 8.390 -8.463 -6.871 259 HD2 LYS 30 HD2 LYS 30 9.134 -6.696 -8.639 260 HD3 LYS 30 HD1 LYS 30 9.667 -8.105 -9.563 261 HE2 LYS 30 HE2 LYS 30 7.463 -8.991 -9.634 262 HE3 LYS 30 HE1 LYS 30 6.893 -7.848 -8.425 263 HZ1 LYS 30 HZ1 LYS 30 7.324 -6.055 -10.048 264 HZ2 LYS 30 HZ2 LYS 30 6.135 -7.148 -10.548 265 HZ3 LYS 30 HZ3 LYS 30 7.686 -7.228 -11.215 266 H TYR 31 HN TYR 31 7.940 -7.032 -4.528 267 HA TYR 31 HA TYR 31 6.283 -5.600 -6.443 268 HB2 TYR 31 HB2 TYR 31 5.531 -7.176 -3.976 269 HB3 TYR 31 HB1 TYR 31 4.375 -6.390 -5.046 270 HD1 TYR 31 HD1 TYR 31 3.970 -7.247 -7.301 271 HD2 TYR 31 HD2 TYR 31 6.664 -9.198 -4.651 272 HE1 TYR 31 HE1 TYR 31 3.940 -9.243 -8.737 273 HE2 TYR 31 HE2 TYR 31 6.649 -11.191 -6.080 274 HH TYR 31 HH TYR 31 4.706 -12.113 -7.935 275 H GLY 32 HN GLY 32 7.317 -5.201 -3.062 276 HA2 GLY 32 HA2 GLY 32 6.539 -2.403 -3.229 277 HA3 GLY 32 HA1 GLY 32 5.687 -3.358 -2.026 278 H ASN 33 HN ASN 33 6.998 -1.298 -1.043 279 HA ASN 33 HA ASN 33 9.767 -1.930 -0.494 280 HB2 ASN 33 HB2 ASN 33 8.013 0.391 -0.217 281 HB3 ASN 33 HB1 ASN 33 9.169 0.222 1.097 282 HD21 ASN 33 HD21 ASN 33 10.107 2.158 0.347 283 HD22 ASN 33 HD22 ASN 33 11.194 2.144 -1.004 284 H ILE 34 HN ILE 34 10.327 -3.319 0.963 285 HA ILE 34 HA ILE 34 8.642 -3.882 3.261 286 HB ILE 34 HB ILE 34 9.415 -5.781 1.978 287 HG12 ILE 34 HG12 ILE 34 9.517 -5.681 4.707 288 HG13 ILE 34 HG11 ILE 34 9.678 -7.150 3.759 289 HG21 ILE 34 HG21 ILE 34 11.787 -6.421 1.834 290 HG22 ILE 34 HG22 ILE 34 12.220 -4.876 2.564 291 HG23 ILE 34 HG23 ILE 34 11.414 -4.915 0.999 292 HD11 ILE 34 HD11 ILE 34 12.111 -7.005 3.932 293 HD12 ILE 34 HD12 ILE 34 11.365 -7.002 5.529 294 HD13 ILE 34 HD13 ILE 34 11.967 -5.496 4.834 295 H LEU 35 HN LEU 35 8.971 -3.119 5.160 296 HA LEU 35 HA LEU 35 11.349 -1.611 5.813 297 HB2 LEU 35 HB2 LEU 35 8.808 -1.900 7.432 298 HB3 LEU 35 HB1 LEU 35 10.029 -0.654 7.585 299 HG LEU 35 HG LEU 35 8.163 -0.977 5.217 300 HD11 LEU 35 HD11 LEU 35 6.978 -0.237 7.213 301 HD12 LEU 35 HD12 LEU 35 7.090 1.056 6.022 302 HD13 LEU 35 HD13 LEU 35 8.147 1.063 7.434 303 HD21 LEU 35 HD21 LEU 35 10.134 1.216 5.858 304 HD22 LEU 35 HD22 LEU 35 8.993 1.212 4.513 305 HD23 LEU 35 HD23 LEU 35 10.294 0.023 4.571 306 H LYS 36 HN LYS 36 9.378 -4.314 7.103 307 HA LYS 36 HA LYS 36 11.814 -5.656 7.910 308 HB2 LYS 36 HB2 LYS 36 11.328 -6.055 10.192 309 HB3 LYS 36 HB1 LYS 36 11.068 -4.336 9.965 310 HG2 LYS 36 HG2 LYS 36 9.096 -4.600 10.951 311 HG3 LYS 36 HG1 LYS 36 8.575 -5.487 9.523 312 HD2 LYS 36 HD2 LYS 36 9.533 -7.559 10.597 313 HD3 LYS 36 HD1 LYS 36 9.715 -6.608 12.075 314 HE2 LYS 36 HE2 LYS 36 7.127 -7.103 10.599 315 HE3 LYS 36 HE1 LYS 36 7.636 -7.921 12.075 316 HZ1 LYS 36 HZ1 LYS 36 7.027 -5.027 11.760 317 HZ2 LYS 36 HZ2 LYS 36 7.663 -5.722 13.168 318 HZ3 LYS 36 HZ3 LYS 36 6.128 -6.176 12.629 319 H CYS 37 HN CYS 37 11.578 -7.928 8.162 320 HA CYS 37 HA CYS 37 8.908 -9.011 7.559 321 HB2 CYS 37 HB2 CYS 37 10.060 -10.873 6.318 322 HB3 CYS 37 HB1 CYS 37 10.177 -9.302 5.537 323 HG CYS 37 HG CYS 37 12.757 -9.102 5.524 324 H ASP 38 HN ASP 38 8.181 -10.401 9.019 325 HA ASP 38 HA ASP 38 10.094 -11.680 10.831 326 HB2 ASP 38 HB2 ASP 38 9.177 -9.712 11.961 327 HB3 ASP 38 HB1 ASP 38 7.550 -10.288 11.661 328 H VAL 39 HN VAL 39 9.772 -13.795 11.119 329 HA VAL 39 HA VAL 39 7.310 -14.927 9.979 330 HB VAL 39 HB VAL 39 10.137 -16.001 9.902 331 HG11 VAL 39 HG11 VAL 39 9.294 -17.934 8.690 332 HG12 VAL 39 HG12 VAL 39 7.636 -17.389 8.945 333 HG13 VAL 39 HG13 VAL 39 8.628 -17.878 10.322 334 HG21 VAL 39 HG21 VAL 39 8.196 -15.227 7.720 335 HG22 VAL 39 HG22 VAL 39 9.804 -15.905 7.466 336 HG23 VAL 39 HG23 VAL 39 9.626 -14.322 8.220 337 H LYS 40 HN LYS 40 6.025 -16.078 11.273 338 HA LYS 40 HA LYS 40 7.057 -16.944 13.910 339 HB2 LYS 40 HB2 LYS 40 4.221 -16.046 13.398 340 HB3 LYS 40 HB1 LYS 40 4.986 -16.342 14.944 341 HG2 LYS 40 HG2 LYS 40 5.157 -14.113 15.036 342 HG3 LYS 40 HG1 LYS 40 6.549 -14.342 13.974 343 HD2 LYS 40 HD2 LYS 40 5.535 -13.170 12.360 344 HD3 LYS 40 HD1 LYS 40 4.165 -14.281 12.383 345 HE2 LYS 40 HE2 LYS 40 3.372 -12.044 12.809 346 HE3 LYS 40 HE1 LYS 40 3.215 -13.005 14.278 347 HZ1 LYS 40 HZ1 LYS 40 5.452 -11.140 13.708 348 HZ2 LYS 40 HZ2 LYS 40 5.203 -12.001 15.139 349 HZ3 LYS 40 HZ3 LYS 40 4.121 -10.783 14.693 350 H LYS 41 HN LYS 41 5.849 -18.778 14.894 351 HA LYS 41 HA LYS 41 4.123 -20.224 13.034 352 HB2 LYS 41 HB2 LYS 41 5.123 -22.328 13.328 353 HB3 LYS 41 HB1 LYS 41 6.466 -21.240 13.059 354 HG2 LYS 41 HG2 LYS 41 5.596 -22.265 15.764 355 HG3 LYS 41 HG1 LYS 41 6.867 -22.983 14.787 356 HD2 LYS 41 HD2 LYS 41 6.891 -20.187 15.949 357 HD3 LYS 41 HD1 LYS 41 7.772 -21.575 16.584 358 HE2 LYS 41 HE2 LYS 41 8.911 -21.712 14.331 359 HE3 LYS 41 HE1 LYS 41 8.199 -20.143 13.972 360 HZ1 LYS 41 HZ1 LYS 41 10.408 -19.838 14.791 361 HZ2 LYS 41 HZ2 LYS 41 10.095 -20.769 16.167 362 HZ3 LYS 41 HZ3 LYS 41 9.332 -19.273 15.970 363 H THR 42 HN THR 42 2.443 -21.507 13.996 364 HA THR 42 HA THR 42 2.083 -21.038 16.879 365 HB THR 42 HB THR 42 0.145 -20.425 15.448 366 HG1 THR 42 HG1 THR 42 -1.386 -22.000 16.604 367 HG21 THR 42 HG21 THR 42 -0.008 -23.367 14.824 368 HG22 THR 42 HG22 THR 42 0.369 -22.079 13.680 369 HG23 THR 42 HG23 THR 42 -1.232 -22.164 14.415 370 H VAL 43 HN VAL 43 1.034 -22.968 18.056 371 HA VAL 43 HA VAL 43 2.827 -25.207 17.918 372 HB VAL 43 HB VAL 43 0.349 -24.939 19.646 373 HG11 VAL 43 HG11 VAL 43 2.909 -26.454 20.121 374 HG12 VAL 43 HG12 VAL 43 1.360 -27.162 19.658 375 HG13 VAL 43 HG13 VAL 43 1.534 -26.358 21.219 376 HG21 VAL 43 HG21 VAL 43 1.763 -23.929 21.360 377 HG22 VAL 43 HG22 VAL 43 1.714 -22.930 19.906 378 HG23 VAL 43 HG23 VAL 43 3.127 -23.930 20.244 379 H SER 44 HN SER 44 -0.172 -24.484 16.463 380 HA SER 44 HA SER 44 -1.266 -27.118 16.263 381 HB2 SER 44 HB2 SER 44 -1.914 -24.766 14.480 382 HB3 SER 44 HB1 SER 44 -2.963 -26.111 14.919 383 HG SER 44 HG SER 44 -3.118 -25.301 16.991 384 H GLY 45 HN GLY 45 1.352 -25.674 14.695 385 HA2 GLY 45 HA2 GLY 45 2.738 -26.982 13.262 386 HA3 GLY 45 HA1 GLY 45 1.302 -27.788 12.658 387 H ALA 46 HN ALA 46 0.405 -24.699 12.717 388 HA ALA 46 HA ALA 46 0.971 -24.301 9.894 389 HB1 ALA 46 HB1 ALA 46 -0.725 -22.659 11.768 390 HB2 ALA 46 HB2 ALA 46 -1.314 -23.956 10.726 391 HB3 ALA 46 HB3 ALA 46 -0.640 -22.488 10.016 392 H ALA 47 HN ALA 47 2.214 -22.738 9.070 393 HA ALA 47 HA ALA 47 3.708 -21.059 10.951 394 HB1 ALA 47 HB1 ALA 47 4.623 -22.149 8.296 395 HB2 ALA 47 HB2 ALA 47 5.112 -22.743 9.883 396 HB3 ALA 47 HB3 ALA 47 5.571 -21.119 9.368 397 H PHE 48 HN PHE 48 4.219 -18.907 10.309 398 HA PHE 48 HA PHE 48 2.464 -17.778 8.232 399 HB2 PHE 48 HB2 PHE 48 2.707 -16.400 10.903 400 HB3 PHE 48 HB1 PHE 48 1.494 -16.168 9.661 401 HD1 PHE 48 HD1 PHE 48 2.524 -18.186 12.519 402 HD2 PHE 48 HD2 PHE 48 -0.465 -17.582 9.570 403 HE1 PHE 48 HE1 PHE 48 0.989 -19.607 13.781 404 HE2 PHE 48 HE2 PHE 48 -2.006 -19.026 10.814 405 HZ PHE 48 HZ PHE 48 -1.283 -20.038 12.934 406 H ALA 49 HN ALA 49 2.974 -15.516 7.784 407 HA ALA 49 HA ALA 49 5.516 -14.547 8.785 408 HB1 ALA 49 HB1 ALA 49 5.993 -15.654 6.614 409 HB2 ALA 49 HB2 ALA 49 6.347 -13.925 6.619 410 HB3 ALA 49 HB3 ALA 49 4.887 -14.518 5.841 411 H PHE 50 HN PHE 50 5.619 -12.449 9.039 412 HA PHE 50 HA PHE 50 3.230 -10.813 8.504 413 HB2 PHE 50 HB2 PHE 50 4.427 -11.515 10.895 414 HB3 PHE 50 HB1 PHE 50 5.183 -9.973 10.548 415 HD1 PHE 50 HD2 PHE 50 1.642 -10.933 9.838 416 HD2 PHE 50 HD1 PHE 50 4.343 -8.674 12.236 417 HE1 PHE 50 HE2 PHE 50 -0.254 -9.788 10.903 418 HE2 PHE 50 HE1 PHE 50 2.452 -7.545 13.310 419 HZ PHE 50 HZ PHE 50 0.147 -8.098 12.646 420 H ILE 51 HN ILE 51 3.632 -9.246 6.990 421 HA ILE 51 HA ILE 51 6.476 -8.590 6.557 422 HB ILE 51 HB ILE 51 4.887 -8.263 4.130 423 HG12 ILE 51 HG12 ILE 51 5.329 -11.128 5.017 424 HG13 ILE 51 HG11 ILE 51 3.781 -10.321 5.225 425 HG21 ILE 51 HG21 ILE 51 7.348 -8.185 4.302 426 HG22 ILE 51 HG22 ILE 51 6.806 -9.406 3.151 427 HG23 ILE 51 HG23 ILE 51 7.361 -9.889 4.755 428 HD11 ILE 51 HD11 ILE 51 5.190 -10.862 2.625 429 HD12 ILE 51 HD12 ILE 51 3.676 -9.973 2.792 430 HD13 ILE 51 HD13 ILE 51 3.753 -11.675 3.244 431 H GLU 52 HN GLU 52 6.902 -6.526 6.940 432 HA GLU 52 HA GLU 52 4.683 -4.686 7.271 433 HB2 GLU 52 HB2 GLU 52 6.435 -5.021 9.018 434 HB3 GLU 52 HB1 GLU 52 7.608 -4.342 7.902 435 HG2 GLU 52 HG2 GLU 52 6.492 -2.204 7.968 436 HG3 GLU 52 HG1 GLU 52 5.222 -2.882 8.993 437 H PHE 53 HN PHE 53 4.046 -3.595 5.530 438 HA PHE 53 HA PHE 53 6.048 -2.708 3.549 439 HB2 PHE 53 HB2 PHE 53 3.371 -3.947 3.233 440 HB3 PHE 53 HB1 PHE 53 3.822 -2.712 2.062 441 HD1 PHE 53 HD1 PHE 53 5.993 -5.290 3.705 442 HD2 PHE 53 HD2 PHE 53 4.177 -3.887 0.134 443 HE1 PHE 53 HE1 PHE 53 7.271 -6.939 2.406 444 HE2 PHE 53 HE2 PHE 53 5.446 -5.535 -1.164 445 HZ PHE 53 HZ PHE 53 6.998 -7.044 -0.029 446 H GLU 54 HN GLU 54 5.997 -0.601 2.811 447 HA GLU 54 HA GLU 54 4.220 1.176 4.207 448 HB2 GLU 54 HB2 GLU 54 5.380 3.027 3.255 449 HB3 GLU 54 HB1 GLU 54 6.549 1.866 3.844 450 HG2 GLU 54 HG2 GLU 54 7.065 1.160 1.606 451 HG3 GLU 54 HG1 GLU 54 5.767 2.154 0.947 452 H ASP 55 HN ASP 55 4.303 -0.324 1.051 453 HA ASP 55 HA ASP 55 1.903 1.239 0.383 454 HB2 ASP 55 HB2 ASP 55 2.613 0.628 -2.092 455 HB3 ASP 55 HB1 ASP 55 3.270 2.043 -1.280 456 H ALA 56 HN ALA 56 0.130 0.217 0.067 457 HA ALA 56 HA ALA 56 -0.071 -2.650 0.208 458 HB1 ALA 56 HB1 ALA 56 -2.417 -0.929 -0.375 459 HB2 ALA 56 HB2 ALA 56 -1.636 -0.806 1.208 460 HB3 ALA 56 HB3 ALA 56 -2.311 -2.344 0.647 461 H ARG 57 HN ARG 57 -0.717 -0.224 -2.294 462 HA ARG 57 HA ARG 57 -2.228 -2.042 -3.914 463 HB2 ARG 57 HB2 ARG 57 -2.359 -0.138 -5.512 464 HB3 ARG 57 HB1 ARG 57 -2.889 0.250 -3.882 465 HG2 ARG 57 HG2 ARG 57 -0.605 1.226 -3.482 466 HG3 ARG 57 HG1 ARG 57 -0.305 1.027 -5.209 467 HD2 ARG 57 HD2 ARG 57 -2.763 2.453 -4.325 468 HD3 ARG 57 HD1 ARG 57 -1.219 3.288 -4.226 469 HE ARG 57 HE ARG 57 -1.933 2.082 -6.789 470 HH11 ARG 57 HH11 ARG 57 -1.660 4.964 -4.814 471 HH12 ARG 57 HH12 ARG 57 -1.705 6.054 -6.152 472 HH21 ARG 57 HH21 ARG 57 -1.980 3.553 -8.587 473 HH22 ARG 57 HH22 ARG 57 -1.887 5.258 -8.292 474 H ASP 58 HN ASP 58 1.088 -1.049 -3.850 475 HA ASP 58 HA ASP 58 1.727 -2.136 -6.433 476 HB2 ASP 58 HB2 ASP 58 3.513 -1.258 -4.135 477 HB3 ASP 58 HB1 ASP 58 4.070 -1.670 -5.754 478 H ALA 59 HN ALA 59 1.881 -3.147 -3.093 479 HA ALA 59 HA ALA 59 3.000 -5.726 -3.393 480 HB1 ALA 59 HB1 ALA 59 1.039 -4.877 -1.272 481 HB2 ALA 59 HB2 ALA 59 2.735 -4.409 -1.259 482 HB3 ALA 59 HB3 ALA 59 2.292 -6.114 -1.148 483 H ALA 60 HN ALA 60 -0.115 -4.490 -4.065 484 HA ALA 60 HA ALA 60 -1.803 -6.635 -3.582 485 HB1 ALA 60 HB1 ALA 60 -2.601 -4.375 -3.952 486 HB2 ALA 60 HB2 ALA 60 -3.412 -5.520 -5.020 487 HB3 ALA 60 HB3 ALA 60 -2.139 -4.479 -5.656 488 H ASP 61 HN ASP 61 0.328 -6.213 -6.373 489 HA ASP 61 HA ASP 61 -0.904 -8.185 -8.010 490 HB2 ASP 61 HB2 ASP 61 1.644 -6.725 -8.016 491 HB3 ASP 61 HB1 ASP 61 1.716 -8.321 -8.761 492 H ALA 62 HN ALA 62 1.746 -8.378 -5.656 493 HA ALA 62 HA ALA 62 2.161 -11.160 -5.747 494 HB1 ALA 62 HB1 ALA 62 3.227 -10.907 -3.572 495 HB2 ALA 62 HB2 ALA 62 2.520 -9.299 -3.406 496 HB3 ALA 62 HB3 ALA 62 3.713 -9.608 -4.669 497 H ILE 63 HN ILE 63 -0.038 -9.166 -3.783 498 HA ILE 63 HA ILE 63 -0.977 -11.386 -2.301 499 HB ILE 63 HB ILE 63 -1.125 -8.746 -1.819 500 HG12 ILE 63 HG12 ILE 63 -1.440 -10.665 -0.234 501 HG13 ILE 63 HG11 ILE 63 -2.441 -9.271 0.114 502 HG21 ILE 63 HG21 ILE 63 -2.908 -8.443 -3.570 503 HG22 ILE 63 HG22 ILE 63 -3.297 -7.824 -1.966 504 HG23 ILE 63 HG23 ILE 63 -3.995 -9.348 -2.514 505 HD11 ILE 63 HD11 ILE 63 -3.495 -11.621 -1.407 506 HD12 ILE 63 HD12 ILE 63 -4.393 -10.349 -0.574 507 HD13 ILE 63 HD13 ILE 63 -3.495 -11.550 0.351 508 H LYS 64 HN LYS 64 -2.051 -10.000 -5.417 509 HA LYS 64 HA LYS 64 -4.398 -11.665 -5.373 510 HB2 LYS 64 HB2 LYS 64 -4.942 -10.875 -7.597 511 HB3 LYS 64 HB1 LYS 64 -4.576 -9.540 -6.526 512 HG2 LYS 64 HG2 LYS 64 -3.504 -8.857 -8.413 513 HG3 LYS 64 HG1 LYS 64 -2.200 -9.723 -7.609 514 HD2 LYS 64 HD2 LYS 64 -2.633 -11.691 -9.011 515 HD3 LYS 64 HD1 LYS 64 -3.946 -10.825 -9.817 516 HE2 LYS 64 HE2 LYS 64 -1.080 -9.906 -9.760 517 HE3 LYS 64 HE1 LYS 64 -1.789 -10.844 -11.070 518 HZ1 LYS 64 HZ1 LYS 64 -3.317 -9.070 -11.511 519 HZ2 LYS 64 HZ2 LYS 64 -1.744 -8.446 -11.506 520 HZ3 LYS 64 HZ3 LYS 64 -2.758 -8.190 -10.179 521 H GLU 65 HN GLU 65 -1.111 -12.072 -6.554 522 HA GLU 65 HA GLU 65 -1.902 -14.445 -8.020 523 HB2 GLU 65 HB2 GLU 65 0.438 -14.866 -8.449 524 HB3 GLU 65 HB1 GLU 65 0.051 -13.192 -8.798 525 HG2 GLU 65 HG2 GLU 65 1.097 -12.469 -6.801 526 HG3 GLU 65 HG1 GLU 65 1.347 -14.127 -6.262 527 H LYS 66 HN LYS 66 -0.975 -13.738 -4.731 528 HA LYS 66 HA LYS 66 -0.879 -16.628 -4.209 529 HB2 LYS 66 HB2 LYS 66 -0.462 -14.431 -2.177 530 HB3 LYS 66 HB1 LYS 66 -0.071 -16.129 -2.007 531 HG2 LYS 66 HG2 LYS 66 1.290 -14.209 -3.883 532 HG3 LYS 66 HG1 LYS 66 1.924 -14.755 -2.333 533 HD2 LYS 66 HD2 LYS 66 2.098 -17.024 -3.163 534 HD3 LYS 66 HD1 LYS 66 1.306 -16.565 -4.670 535 HE2 LYS 66 HE2 LYS 66 3.209 -14.966 -5.066 536 HE3 LYS 66 HE1 LYS 66 4.020 -15.705 -3.686 537 HZ1 LYS 66 HZ1 LYS 66 4.693 -16.636 -5.852 538 HZ2 LYS 66 HZ2 LYS 66 3.117 -17.196 -6.090 539 HZ3 LYS 66 HZ3 LYS 66 4.044 -17.802 -4.813 540 H ASP 67 HN ASP 67 -3.208 -14.386 -4.536 541 HA ASP 67 HA ASP 67 -5.045 -14.871 -2.407 542 HB2 ASP 67 HB2 ASP 67 -5.057 -12.834 -3.828 543 HB3 ASP 67 HB1 ASP 67 -5.664 -13.798 -5.160 544 H GLY 68 HN GLY 68 -7.325 -15.903 -2.788 545 HA2 GLY 68 HA2 GLY 68 -8.292 -17.965 -3.695 546 HA3 GLY 68 HA1 GLY 68 -6.653 -18.492 -4.050 547 H CYS 69 HN CYS 69 -7.479 -16.877 -1.090 548 HA CYS 69 HA CYS 69 -6.007 -18.614 0.513 549 HB2 CYS 69 HB2 CYS 69 -6.398 -16.393 1.262 550 HB3 CYS 69 HB1 CYS 69 -8.138 -16.547 1.081 551 HG CYS 69 HG CYS 69 -8.442 -18.240 3.303 552 H ASP 70 HN ASP 70 -6.444 -20.367 1.642 553 HA ASP 70 HA ASP 70 -9.151 -21.443 1.633 554 HB2 ASP 70 HB2 ASP 70 -7.233 -22.175 -0.224 555 HB3 ASP 70 HB1 ASP 70 -7.201 -23.478 0.959 556 H PHE 71 HN PHE 71 -9.633 -23.021 3.017 557 HA PHE 71 HA PHE 71 -7.883 -23.680 5.237 558 HB2 PHE 71 HB2 PHE 71 -9.139 -21.454 5.714 559 HB3 PHE 71 HB1 PHE 71 -10.570 -22.470 5.874 560 HD1 PHE 71 HD2 PHE 71 -7.164 -21.912 7.223 561 HD2 PHE 71 HD1 PHE 71 -10.987 -23.686 7.861 562 HE1 PHE 71 HE2 PHE 71 -6.529 -22.438 9.540 563 HE2 PHE 71 HE1 PHE 71 -10.349 -24.215 10.181 564 HZ PHE 71 HZ PHE 71 -8.119 -23.592 11.020 565 H GLU 72 HN GLU 72 -8.550 -25.583 6.358 566 HA GLU 72 HA GLU 72 -9.706 -27.428 6.953 567 HB2 GLU 72 HB2 GLU 72 -11.719 -25.864 6.900 568 HB3 GLU 72 HB1 GLU 72 -12.080 -26.553 5.325 569 HG2 GLU 72 HG2 GLU 72 -12.119 -28.817 6.424 570 HG3 GLU 72 HG1 GLU 72 -12.012 -27.989 7.975 571 H GLY 73 HN GLY 73 -7.980 -28.176 5.514 572 HA2 GLY 73 HA2 GLY 73 -7.521 -30.228 4.448 573 HA3 GLY 73 HA1 GLY 73 -9.065 -30.131 3.618 574 H ASN 74 HN ASN 74 -8.274 -27.204 3.028 575 HA ASN 74 HA ASN 74 -6.010 -27.668 1.194 576 HB2 ASN 74 HB2 ASN 74 -8.334 -25.738 1.022 577 HB3 ASN 74 HB1 ASN 74 -6.851 -25.494 0.117 578 HD21 ASN 74 HD21 ASN 74 -8.234 -25.497 -1.691 579 HD22 ASN 74 HD22 ASN 74 -8.735 -26.988 -2.409 580 H LYS 75 HN LYS 75 -4.196 -26.742 1.941 581 HA LYS 75 HA LYS 75 -4.380 -24.725 4.052 582 HB2 LYS 75 HB2 LYS 75 -2.319 -26.657 3.124 583 HB3 LYS 75 HB1 LYS 75 -1.734 -25.156 3.817 584 HG2 LYS 75 HG2 LYS 75 -1.739 -26.679 5.585 585 HG3 LYS 75 HG1 LYS 75 -3.179 -25.701 5.836 586 HD2 LYS 75 HD2 LYS 75 -3.636 -28.127 4.242 587 HD3 LYS 75 HD1 LYS 75 -3.094 -28.435 5.890 588 HE2 LYS 75 HE2 LYS 75 -5.458 -26.727 5.109 589 HE3 LYS 75 HE1 LYS 75 -5.547 -28.381 5.714 590 HZ1 LYS 75 HZ1 LYS 75 -4.488 -26.035 7.186 591 HZ2 LYS 75 HZ2 LYS 75 -4.509 -27.617 7.778 592 HZ3 LYS 75 HZ3 LYS 75 -5.962 -26.807 7.479 593 H LEU 76 HN LEU 76 -4.656 -22.598 3.160 594 HA LEU 76 HA LEU 76 -2.409 -21.575 1.642 595 HB2 LEU 76 HB2 LEU 76 -4.702 -22.604 0.233 596 HB3 LEU 76 HB1 LEU 76 -4.545 -20.890 -0.072 597 HG LEU 76 HG LEU 76 -2.102 -22.551 -0.400 598 HD11 LEU 76 HD11 LEU 76 -2.765 -23.180 -2.685 599 HD12 LEU 76 HD12 LEU 76 -4.385 -22.551 -2.375 600 HD13 LEU 76 HD13 LEU 76 -3.790 -23.939 -1.466 601 HD21 LEU 76 HD21 LEU 76 -1.698 -21.004 -2.231 602 HD22 LEU 76 HD22 LEU 76 -2.080 -20.118 -0.756 603 HD23 LEU 76 HD23 LEU 76 -3.301 -20.304 -2.013 604 H ARG 77 HN ARG 77 -2.832 -20.104 3.857 605 HA ARG 77 HA ARG 77 -5.019 -18.209 3.254 606 HB2 ARG 77 HB2 ARG 77 -5.410 -18.726 5.436 607 HB3 ARG 77 HB1 ARG 77 -3.734 -19.120 5.760 608 HG2 ARG 77 HG2 ARG 77 -4.325 -17.281 7.151 609 HG3 ARG 77 HG1 ARG 77 -3.246 -16.674 5.901 610 HD2 ARG 77 HD2 ARG 77 -4.756 -15.044 5.626 611 HD3 ARG 77 HD1 ARG 77 -5.724 -16.257 4.797 612 HE ARG 77 HE ARG 77 -7.102 -16.459 6.674 613 HH11 ARG 77 HH11 ARG 77 -4.540 -14.147 7.293 614 HH12 ARG 77 HH12 ARG 77 -5.321 -13.453 8.669 615 HH21 ARG 77 HH21 ARG 77 -8.157 -15.504 8.457 616 HH22 ARG 77 HH22 ARG 77 -7.394 -14.234 9.341 617 H VAL 78 HN VAL 78 -4.502 -16.498 2.068 618 HA VAL 78 HA VAL 78 -2.113 -14.953 2.851 619 HB VAL 78 HB VAL 78 -3.058 -15.434 -0.003 620 HG11 VAL 78 HG11 VAL 78 -1.880 -13.663 -0.714 621 HG12 VAL 78 HG12 VAL 78 -0.509 -14.066 0.315 622 HG13 VAL 78 HG13 VAL 78 -1.856 -13.130 0.967 623 HG21 VAL 78 HG21 VAL 78 -1.692 -17.230 1.145 624 HG22 VAL 78 HG22 VAL 78 -0.360 -16.066 1.184 625 HG23 VAL 78 HG23 VAL 78 -1.036 -16.603 -0.354 626 H GLU 79 HN GLU 79 -2.801 -12.960 3.624 627 HA GLU 79 HA GLU 79 -4.688 -11.518 1.989 628 HB2 GLU 79 HB2 GLU 79 -6.224 -10.891 3.754 629 HB3 GLU 79 HB1 GLU 79 -6.193 -12.628 3.533 630 HG2 GLU 79 HG2 GLU 79 -6.165 -12.627 5.766 631 HG3 GLU 79 HG1 GLU 79 -4.433 -12.391 5.551 632 H VAL 80 HN VAL 80 -4.362 -9.428 1.825 633 HA VAL 80 HA VAL 80 -2.694 -8.066 3.752 634 HB VAL 80 HB VAL 80 -3.381 -5.965 2.440 635 HG11 VAL 80 HG11 VAL 80 -1.199 -6.556 2.145 636 HG12 VAL 80 HG12 VAL 80 -1.807 -6.687 0.491 637 HG13 VAL 80 HG13 VAL 80 -1.591 -8.132 1.484 638 HG21 VAL 80 HG21 VAL 80 -5.272 -6.840 1.205 639 HG22 VAL 80 HG22 VAL 80 -4.236 -8.025 0.408 640 HG23 VAL 80 HG23 VAL 80 -4.005 -6.305 0.096 641 HA PRO 81 HA PRO 81 -6.432 -6.714 5.957 642 HB2 PRO 81 HB2 PRO 81 -5.165 -5.676 8.115 643 HB3 PRO 81 HB1 PRO 81 -5.376 -7.423 7.894 644 HG2 PRO 81 HG2 PRO 81 -2.961 -5.758 7.522 645 HG3 PRO 81 HG1 PRO 81 -3.106 -7.436 8.069 646 HD2 PRO 81 HD2 PRO 81 -2.391 -6.604 5.503 647 HD3 PRO 81 HD1 PRO 81 -2.904 -8.236 5.967 648 H PHE 82 HN PHE 82 -4.558 -5.128 4.026 649 HA PHE 82 HA PHE 82 -4.922 -2.388 4.900 650 HB2 PHE 82 HB2 PHE 82 -3.956 -3.443 2.228 651 HB3 PHE 82 HB1 PHE 82 -3.834 -1.787 2.792 652 HD1 PHE 82 HD2 PHE 82 -2.785 -2.226 5.571 653 HD2 PHE 82 HD1 PHE 82 -1.797 -4.083 1.873 654 HE1 PHE 82 HE2 PHE 82 -0.537 -2.699 6.406 655 HE2 PHE 82 HE1 PHE 82 0.450 -4.556 2.711 656 HZ PHE 82 HZ PHE 82 1.089 -3.860 4.976 657 H ASN 83 HN ASN 83 -6.426 -4.735 2.870 658 HA ASN 83 HA ASN 83 -8.193 -4.833 1.480 659 HB2 ASN 83 HB2 ASN 83 -9.020 -2.427 3.093 660 HB3 ASN 83 HB1 ASN 83 -10.000 -2.980 1.743 661 HD21 ASN 83 HD21 ASN 83 -8.225 -5.111 3.959 662 HD22 ASN 83 HD22 ASN 83 -9.630 -5.818 4.669 663 H ALA 84 HN ALA 84 -5.888 -3.904 0.428 664 HA ALA 84 HA ALA 84 -4.934 -3.057 -1.419 665 HB1 ALA 84 HB1 ALA 84 -6.243 -2.316 -3.324 666 HB2 ALA 84 HB2 ALA 84 -7.684 -2.204 -2.311 667 HB3 ALA 84 HB3 ALA 84 -6.947 -3.775 -2.620 668 H ARG 85 HN ARG 85 -5.838 -1.332 0.996 669 HA ARG 85 HA ARG 85 -5.389 0.654 1.909 670 HB2 ARG 85 HB2 ARG 85 -3.277 0.501 0.585 671 HB3 ARG 85 HB1 ARG 85 -4.040 1.457 -0.657 672 HG2 ARG 85 HG2 ARG 85 -3.934 2.569 2.106 673 HG3 ARG 85 HG1 ARG 85 -2.438 2.489 1.181 674 HD2 ARG 85 HD2 ARG 85 -3.782 3.666 -0.688 675 HD3 ARG 85 HD1 ARG 85 -4.940 4.040 0.590 676 HE ARG 85 HE ARG 85 -3.352 5.411 1.633 677 HH11 ARG 85 HH12 ARG 85 -2.131 4.097 -1.395 678 HH12 ARG 85 HH11 ARG 85 -0.849 5.252 -1.526 679 HH21 ARG 85 HH22 ARG 85 -1.674 6.926 1.449 680 HH22 ARG 85 HH21 ARG 85 -0.584 6.870 0.099 681 H GLU 86 HN GLU 86 -7.209 1.590 2.301 682 HA GLU 86 HA GLU 86 -8.973 2.830 0.469 683 HB2 GLU 86 HB2 GLU 86 -8.654 2.643 3.401 684 HB3 GLU 86 HB1 GLU 86 -9.384 4.143 2.851 685 HG2 GLU 86 HG2 GLU 86 -11.133 2.632 3.363 686 HG3 GLU 86 HG1 GLU 86 -11.077 2.805 1.614 Start of MODEL 17 1 H1 GLY -2 HT1 GLY -2 -15.186 -6.793 -0.317 2 H2 GLY -2 HT2 GLY -2 -14.668 -5.916 -1.667 3 H3 GLY -2 HT3 GLY -2 -16.103 -5.487 -0.878 4 HA2 GLY -2 HA1 GLY -2 -14.866 -4.903 1.114 5 HA3 GLY -2 HA2 GLY -2 -13.374 -5.308 0.278 6 H SER -1 HN SER -1 -12.379 -3.418 0.105 7 HA SER -1 HA SER -1 -11.731 -1.417 -0.675 8 HB2 SER -1 HB2 SER -1 -12.842 -2.332 -2.812 9 HB3 SER -1 HB1 SER -1 -14.188 -1.265 -2.429 10 HG SER -1 HG SER -1 -12.416 -0.479 -3.880 11 H HIS 0 HN HIS 0 -13.002 0.965 -1.272 12 HA HIS 0 HA HIS 0 -14.021 2.806 -0.441 13 HB2 HIS 0 HB2 HIS 0 -16.023 1.293 -0.711 14 HB3 HIS 0 HB1 HIS 0 -15.884 0.886 0.987 15 HD1 HIS 0 HD1 HIS 0 -18.211 1.788 1.504 16 HD2 HIS 0 HD2 HIS 0 -15.673 4.663 -0.101 17 HE1 HIS 0 HE1 HIS 0 -19.368 3.986 1.874 18 HE2 HIS 0 HE2 HIS 0 -17.713 5.718 1.099 19 H MET 1 HN MET 1 -11.725 1.914 0.843 20 HA MET 1 HA MET 1 -12.117 2.881 3.593 21 HB2 MET 1 HB2 MET 1 -10.493 0.461 2.773 22 HB3 MET 1 HB1 MET 1 -10.400 1.213 4.355 23 HG2 MET 1 HG2 MET 1 -12.681 0.616 4.824 24 HG3 MET 1 HG1 MET 1 -12.890 -0.003 3.187 25 HE1 MET 1 HE1 MET 1 -12.998 -3.260 5.335 26 HE2 MET 1 HE2 MET 1 -13.785 -2.343 4.054 27 HE3 MET 1 HE3 MET 1 -13.693 -1.679 5.684 28 H VAL 2 HN VAL 2 -10.546 4.281 4.292 29 HA VAL 2 HA VAL 2 -7.989 4.384 2.934 30 HB VAL 2 HB VAL 2 -9.231 5.877 1.510 31 HG11 VAL 2 HG11 VAL 2 -10.019 7.467 3.948 32 HG12 VAL 2 HG12 VAL 2 -11.090 6.473 2.962 33 HG13 VAL 2 HG13 VAL 2 -10.340 7.912 2.272 34 HG21 VAL 2 HG21 VAL 2 -7.439 7.431 3.371 35 HG22 VAL 2 HG22 VAL 2 -7.977 7.996 1.790 36 HG23 VAL 2 HG23 VAL 2 -6.959 6.561 1.914 37 H ILE 3 HN ILE 3 -6.523 4.338 4.454 38 HA ILE 3 HA ILE 3 -6.901 5.918 6.913 39 HB ILE 3 HB ILE 3 -5.745 3.106 6.746 40 HG12 ILE 3 HG12 ILE 3 -7.567 3.043 8.769 41 HG13 ILE 3 HG11 ILE 3 -8.326 4.199 7.685 42 HG21 ILE 3 HG21 ILE 3 -5.342 3.211 9.146 43 HG22 ILE 3 HG22 ILE 3 -5.860 4.896 9.174 44 HG23 ILE 3 HG23 ILE 3 -4.404 4.436 8.293 45 HD11 ILE 3 HD11 ILE 3 -7.478 1.406 6.956 46 HD12 ILE 3 HD12 ILE 3 -8.288 2.560 5.892 47 HD13 ILE 3 HD13 ILE 3 -9.123 1.928 7.314 48 H ARG 4 HN ARG 4 -5.271 7.325 7.270 49 HA ARG 4 HA ARG 4 -2.765 7.021 5.773 50 HB2 ARG 4 HB2 ARG 4 -3.654 9.386 7.452 51 HB3 ARG 4 HB1 ARG 4 -2.234 9.317 6.420 52 HG2 ARG 4 HG2 ARG 4 -3.523 10.327 4.906 53 HG3 ARG 4 HG1 ARG 4 -4.242 8.733 4.659 54 HD2 ARG 4 HD2 ARG 4 -5.983 10.401 4.992 55 HD3 ARG 4 HD1 ARG 4 -5.957 9.259 6.336 56 HE ARG 4 HE ARG 4 -4.341 11.434 7.018 57 HH11 ARG 4 HH11 ARG 4 -7.750 10.790 6.452 58 HH12 ARG 4 HH12 ARG 4 -8.287 12.045 7.517 59 HH21 ARG 4 HH22 ARG 4 -5.054 13.071 8.421 60 HH22 ARG 4 HH21 ARG 4 -6.751 13.343 8.641 61 H GLU 5 HN GLU 5 -0.739 7.614 6.966 62 HA GLU 5 HA GLU 5 0.862 7.202 8.482 63 HB2 GLU 5 HB2 GLU 5 -1.025 8.471 9.953 64 HB3 GLU 5 HB1 GLU 5 -0.934 6.954 10.827 65 HG2 GLU 5 HG2 GLU 5 1.443 7.272 11.218 66 HG3 GLU 5 HG1 GLU 5 1.430 8.743 10.246 67 H SER 6 HN SER 6 1.096 5.553 10.680 68 HA SER 6 HA SER 6 1.504 3.421 11.316 69 HB2 SER 6 HB2 SER 6 -1.112 3.404 11.135 70 HB3 SER 6 HB1 SER 6 -0.837 2.395 9.720 71 HG SER 6 HG SER 6 -1.116 1.350 11.890 72 H VAL 7 HN VAL 7 1.515 0.953 10.156 73 HA VAL 7 HA VAL 7 2.767 1.347 7.526 74 HB VAL 7 HB VAL 7 3.866 -0.878 9.142 75 HG11 VAL 7 HG11 VAL 7 4.600 -0.508 6.873 76 HG12 VAL 7 HG12 VAL 7 5.942 -0.221 7.982 77 HG13 VAL 7 HG13 VAL 7 5.085 1.143 7.266 78 HG21 VAL 7 HG21 VAL 7 5.559 0.469 10.271 79 HG22 VAL 7 HG22 VAL 7 3.943 0.890 10.840 80 HG23 VAL 7 HG23 VAL 7 4.782 1.946 9.703 81 H SER 8 HN SER 8 2.211 -0.093 5.998 82 HA SER 8 HA SER 8 0.011 -1.865 6.585 83 HB2 SER 8 HB2 SER 8 0.076 -2.185 4.043 84 HB3 SER 8 HB1 SER 8 -0.309 -0.572 4.637 85 HG SER 8 HG SER 8 2.377 -1.200 4.110 86 H ARG 9 HN ARG 9 -0.043 -4.059 6.410 87 HA ARG 9 HA ARG 9 2.436 -5.471 5.813 88 HB2 ARG 9 HB2 ARG 9 2.158 -6.911 7.825 89 HB3 ARG 9 HB1 ARG 9 2.563 -5.250 8.206 90 HG2 ARG 9 HG2 ARG 9 -0.317 -5.923 8.176 91 HG3 ARG 9 HG1 ARG 9 0.650 -6.618 9.478 92 HD2 ARG 9 HD2 ARG 9 1.404 -4.416 10.130 93 HD3 ARG 9 HD1 ARG 9 0.555 -3.686 8.768 94 HE ARG 9 HE ARG 9 -1.417 -4.948 10.116 95 HH11 ARG 9 HH11 ARG 9 1.095 -2.702 11.120 96 HH12 ARG 9 HH12 ARG 9 0.137 -2.013 12.397 97 HH21 ARG 9 HH21 ARG 9 -2.679 -4.032 11.791 98 HH22 ARG 9 HH22 ARG 9 -2.012 -2.772 12.778 99 H ILE 10 HN ILE 10 2.179 -7.760 5.432 100 HA ILE 10 HA ILE 10 -0.586 -8.557 4.841 101 HB ILE 10 HB ILE 10 1.901 -8.938 3.231 102 HG12 ILE 10 HG12 ILE 10 -0.987 -8.526 2.467 103 HG13 ILE 10 HG11 ILE 10 0.151 -7.224 2.768 104 HG21 ILE 10 HG21 ILE 10 1.242 -11.272 3.569 105 HG22 ILE 10 HG22 ILE 10 0.901 -10.769 1.914 106 HG23 ILE 10 HG23 ILE 10 -0.412 -10.883 3.083 107 HD11 ILE 10 HD11 ILE 10 0.411 -9.294 0.600 108 HD12 ILE 10 HD12 ILE 10 1.485 -7.926 0.868 109 HD13 ILE 10 HD13 ILE 10 -0.184 -7.649 0.383 110 H TYR 11 HN TYR 11 -1.305 -10.535 5.472 111 HA TYR 11 HA TYR 11 0.456 -12.036 7.304 112 HB2 TYR 11 HB2 TYR 11 -1.723 -10.973 8.164 113 HB3 TYR 11 HB1 TYR 11 -2.565 -12.165 7.193 114 HD1 TYR 11 HD1 TYR 11 -2.510 -14.571 7.845 115 HD2 TYR 11 HD2 TYR 11 -0.645 -11.573 10.222 116 HE1 TYR 11 HE1 TYR 11 -2.397 -16.138 9.737 117 HE2 TYR 11 HE2 TYR 11 -0.521 -13.140 12.114 118 HH TYR 11 HH TYR 11 -1.036 -16.445 11.805 119 H VAL 12 HN VAL 12 1.230 -13.874 6.431 120 HA VAL 12 HA VAL 12 -0.638 -15.404 4.770 121 HB VAL 12 HB VAL 12 0.989 -14.625 3.217 122 HG11 VAL 12 HG11 VAL 12 3.370 -14.981 3.388 123 HG12 VAL 12 HG12 VAL 12 3.157 -15.737 4.968 124 HG13 VAL 12 HG13 VAL 12 2.780 -14.026 4.748 125 HG21 VAL 12 HG21 VAL 12 1.778 -17.453 3.854 126 HG22 VAL 12 HG22 VAL 12 1.854 -16.650 2.284 127 HG23 VAL 12 HG23 VAL 12 0.295 -16.996 3.031 128 H GLY 13 HN GLY 13 -1.372 -17.028 5.827 129 HA2 GLY 13 HA2 GLY 13 0.439 -18.593 7.551 130 HA3 GLY 13 HA1 GLY 13 -1.277 -18.393 7.861 131 H ASN 14 HN ASN 14 -0.107 -20.878 7.802 132 HA ASN 14 HA ASN 14 -0.424 -22.991 7.051 133 HB2 ASN 14 HB2 ASN 14 -2.848 -21.559 6.089 134 HB3 ASN 14 HB1 ASN 14 -2.591 -23.211 5.539 135 HD21 ASN 14 HD21 ASN 14 -3.358 -21.164 8.212 136 HD22 ASN 14 HD22 ASN 14 -3.779 -22.420 9.321 137 H LEU 15 HN LEU 15 1.353 -21.377 5.458 138 HA LEU 15 HA LEU 15 0.735 -22.001 2.712 139 HB2 LEU 15 HB2 LEU 15 2.464 -20.506 2.069 140 HB3 LEU 15 HB1 LEU 15 1.537 -19.745 3.337 141 HG LEU 15 HG LEU 15 4.155 -21.098 3.950 142 HD11 LEU 15 HD11 LEU 15 4.594 -19.593 2.122 143 HD12 LEU 15 HD12 LEU 15 5.213 -18.906 3.623 144 HD13 LEU 15 HD13 LEU 15 3.710 -18.301 2.934 145 HD21 LEU 15 HD21 LEU 15 2.907 -20.456 5.904 146 HD22 LEU 15 HD22 LEU 15 2.599 -18.853 5.243 147 HD23 LEU 15 HD23 LEU 15 4.235 -19.317 5.703 148 HA PRO 16 HA PRO 16 3.450 -25.520 2.493 149 HB2 PRO 16 HB2 PRO 16 3.694 -25.646 -0.230 150 HB3 PRO 16 HB1 PRO 16 2.268 -26.222 0.651 151 HG2 PRO 16 HG2 PRO 16 2.646 -23.707 -0.887 152 HG3 PRO 16 HG1 PRO 16 1.208 -24.733 -0.712 153 HD2 PRO 16 HD2 PRO 16 1.585 -22.384 0.654 154 HD3 PRO 16 HD1 PRO 16 0.547 -23.713 1.207 155 H SER 17 HN SER 17 5.538 -25.882 2.398 156 HA SER 17 HA SER 17 7.744 -25.770 2.186 157 HB2 SER 17 HB2 SER 17 8.881 -24.713 0.454 158 HB3 SER 17 HB1 SER 17 7.277 -24.928 -0.233 159 HG SER 17 HG SER 17 8.394 -22.777 -0.408 160 H HIS 18 HN HIS 18 6.044 -22.813 2.951 161 HA HIS 18 HA HIS 18 6.348 -21.137 4.396 162 HB2 HIS 18 HB2 HIS 18 6.818 -22.358 6.281 163 HB3 HIS 18 HB1 HIS 18 8.179 -23.184 5.559 164 HD1 HIS 18 HD1 HIS 18 10.471 -22.292 6.062 165 HD2 HIS 18 HD2 HIS 18 7.449 -19.771 7.410 166 HE1 HIS 18 HE1 HIS 18 11.607 -20.604 7.528 167 HE2 HIS 18 HE2 HIS 18 9.815 -18.928 8.058 168 H VAL 19 HN VAL 19 6.981 -19.232 3.685 169 HA VAL 19 HA VAL 19 9.399 -18.920 2.180 170 HB VAL 19 HB VAL 19 8.888 -16.477 2.127 171 HG11 VAL 19 HG11 VAL 19 6.641 -18.303 1.317 172 HG12 VAL 19 HG12 VAL 19 8.064 -17.887 0.362 173 HG13 VAL 19 HG13 VAL 19 6.863 -16.652 0.741 174 HG21 VAL 19 HG21 VAL 19 6.691 -15.674 2.901 175 HG22 VAL 19 HG22 VAL 19 7.727 -16.182 4.235 176 HG23 VAL 19 HG23 VAL 19 6.420 -17.226 3.691 177 H SER 20 HN SER 20 11.330 -18.492 2.869 178 HA SER 20 HA SER 20 11.817 -18.079 5.686 179 HB2 SER 20 HB2 SER 20 13.790 -18.164 3.379 180 HB3 SER 20 HB1 SER 20 14.186 -18.314 5.093 181 HG SER 20 HG SER 20 13.228 -20.173 3.319 182 H SER 21 HN SER 21 13.358 -16.241 6.328 183 HA SER 21 HA SER 21 11.883 -13.919 5.879 184 HB2 SER 21 HB2 SER 21 13.624 -12.786 7.270 185 HB3 SER 21 HB1 SER 21 12.971 -14.255 7.987 186 HG SER 21 HG SER 21 15.390 -13.854 7.928 187 H ARG 22 HN ARG 22 14.832 -14.997 4.360 188 HA ARG 22 HA ARG 22 15.548 -12.485 3.175 189 HB2 ARG 22 HB2 ARG 22 16.529 -15.213 2.326 190 HB3 ARG 22 HB1 ARG 22 17.352 -13.672 2.131 191 HG2 ARG 22 HG2 ARG 22 18.524 -14.346 3.937 192 HG3 ARG 22 HG1 ARG 22 17.113 -13.781 4.835 193 HD2 ARG 22 HD2 ARG 22 16.268 -16.248 4.312 194 HD3 ARG 22 HD1 ARG 22 17.999 -16.556 4.230 195 HE ARG 22 HE ARG 22 16.543 -15.546 6.587 196 HH11 ARG 22 HH12 ARG 22 19.381 -17.165 5.258 197 HH12 ARG 22 HH11 ARG 22 20.000 -17.594 6.814 198 HH21 ARG 22 HH21 ARG 22 17.352 -16.182 8.608 199 HH22 ARG 22 HH22 ARG 22 18.852 -17.039 8.712 200 H ASP 23 HN ASP 23 13.892 -15.387 2.177 201 HA ASP 23 HA ASP 23 13.690 -14.858 -0.606 202 HB2 ASP 23 HB2 ASP 23 11.878 -16.567 1.128 203 HB3 ASP 23 HB1 ASP 23 12.017 -16.654 -0.625 204 H VAL 24 HN VAL 24 11.449 -14.506 2.095 205 HA VAL 24 HA VAL 24 9.421 -13.181 0.629 206 HB VAL 24 HB VAL 24 9.063 -14.516 2.722 207 HG11 VAL 24 HG11 VAL 24 9.529 -13.839 4.824 208 HG12 VAL 24 HG12 VAL 24 9.547 -12.131 4.394 209 HG13 VAL 24 HG13 VAL 24 10.921 -13.155 3.975 210 HG21 VAL 24 HG21 VAL 24 7.275 -13.078 3.599 211 HG22 VAL 24 HG22 VAL 24 7.283 -13.223 1.841 212 HG23 VAL 24 HG23 VAL 24 7.903 -11.762 2.610 213 H GLU 25 HN GLU 25 12.252 -12.049 2.451 214 HA GLU 25 HA GLU 25 11.792 -9.295 2.403 215 HB2 GLU 25 HB2 GLU 25 13.712 -10.340 3.538 216 HB3 GLU 25 HB1 GLU 25 14.411 -10.742 1.980 217 HG2 GLU 25 HG2 GLU 25 14.617 -8.338 1.478 218 HG3 GLU 25 HG1 GLU 25 13.993 -7.978 3.089 219 H ASN 26 HN ASN 26 13.416 -11.268 -0.195 220 HA ASN 26 HA ASN 26 13.687 -9.028 -1.943 221 HB2 ASN 26 HB2 ASN 26 15.009 -11.180 -2.110 222 HB3 ASN 26 HB1 ASN 26 13.561 -11.938 -2.763 223 HD21 ASN 26 HD21 ASN 26 14.442 -12.404 -4.755 224 HD22 ASN 26 HD22 ASN 26 14.814 -11.183 -5.919 225 H GLU 27 HN GLU 27 11.322 -11.642 -1.783 226 HA GLU 27 HA GLU 27 9.910 -11.107 -4.132 227 HB2 GLU 27 HB2 GLU 27 9.779 -13.210 -2.713 228 HB3 GLU 27 HB1 GLU 27 8.754 -12.311 -1.610 229 HG2 GLU 27 HG2 GLU 27 7.161 -11.935 -3.490 230 HG3 GLU 27 HG1 GLU 27 8.150 -13.006 -4.472 231 H PHE 28 HN PHE 28 9.303 -10.086 -0.785 232 HA PHE 28 HA PHE 28 7.078 -8.454 -1.579 233 HB2 PHE 28 HB2 PHE 28 8.225 -9.166 1.072 234 HB3 PHE 28 HB1 PHE 28 7.138 -7.789 0.927 235 HD1 PHE 28 HD1 PHE 28 7.282 -11.372 -0.210 236 HD2 PHE 28 HD2 PHE 28 4.919 -8.183 1.302 237 HE1 PHE 28 HE1 PHE 28 5.341 -12.874 -0.084 238 HE2 PHE 28 HE2 PHE 28 2.973 -9.679 1.433 239 HZ PHE 28 HZ PHE 28 3.184 -12.032 0.743 240 H ARG 29 HN ARG 29 10.500 -7.856 -1.155 241 HA ARG 29 HA ARG 29 10.376 -5.036 -1.097 242 HB2 ARG 29 HB2 ARG 29 12.389 -6.891 -2.318 243 HB3 ARG 29 HB1 ARG 29 12.419 -5.190 -2.749 244 HG2 ARG 29 HG2 ARG 29 12.424 -4.844 -0.156 245 HG3 ARG 29 HG1 ARG 29 13.038 -6.498 -0.149 246 HD2 ARG 29 HD2 ARG 29 14.912 -5.044 -0.164 247 HD3 ARG 29 HD1 ARG 29 14.788 -5.735 -1.784 248 HE ARG 29 HE ARG 29 13.496 -3.161 -1.355 249 HH11 ARG 29 HH12 ARG 29 16.332 -4.837 -2.552 250 HH12 ARG 29 HH11 ARG 29 16.865 -3.502 -3.519 251 HH21 ARG 29 HH22 ARG 29 14.200 -1.415 -2.638 252 HH22 ARG 29 HH21 ARG 29 15.653 -1.558 -3.564 253 H LYS 30 HN LYS 30 9.973 -7.345 -3.848 254 HA LYS 30 HA LYS 30 9.387 -5.291 -5.741 255 HB2 LYS 30 HB2 LYS 30 9.362 -7.095 -7.057 256 HB3 LYS 30 HB1 LYS 30 9.177 -8.160 -5.686 257 HG2 LYS 30 HG2 LYS 30 7.357 -8.747 -7.006 258 HG3 LYS 30 HG1 LYS 30 6.644 -7.597 -5.895 259 HD2 LYS 30 HD2 LYS 30 6.925 -5.821 -7.651 260 HD3 LYS 30 HD1 LYS 30 7.431 -7.090 -8.775 261 HE2 LYS 30 HE2 LYS 30 4.854 -7.418 -7.310 262 HE3 LYS 30 HE1 LYS 30 4.923 -6.256 -8.635 263 HZ1 LYS 30 HZ1 LYS 30 5.583 -7.983 -10.112 264 HZ2 LYS 30 HZ2 LYS 30 4.178 -8.455 -9.302 265 HZ3 LYS 30 HZ3 LYS 30 5.671 -9.106 -8.853 266 H TYR 31 HN TYR 31 7.344 -6.372 -3.081 267 HA TYR 31 HA TYR 31 4.853 -5.556 -4.299 268 HB2 TYR 31 HB2 TYR 31 5.455 -6.363 -1.454 269 HB3 TYR 31 HB1 TYR 31 3.852 -5.967 -2.027 270 HD1 TYR 31 HD2 TYR 31 6.349 -7.949 -3.829 271 HD2 TYR 31 HD1 TYR 31 2.763 -8.062 -1.571 272 HE1 TYR 31 HE2 TYR 31 6.105 -10.309 -4.371 273 HE2 TYR 31 HE1 TYR 31 2.504 -10.459 -2.096 274 HH TYR 31 HH TYR 31 5.063 -12.274 -3.339 275 H GLY 32 HN GLY 32 7.251 -3.771 -2.764 276 HA2 GLY 32 HA2 GLY 32 6.496 -1.330 -3.017 277 HA3 GLY 32 HA1 GLY 32 5.322 -1.786 -1.793 278 H ASN 33 HN ASN 33 8.647 -2.872 -1.969 279 HA ASN 33 HA ASN 33 10.504 -2.616 -0.710 280 HB2 ASN 33 HB2 ASN 33 9.812 -0.097 -1.358 281 HB3 ASN 33 HB1 ASN 33 9.743 0.024 0.397 282 HD21 ASN 33 HD21 ASN 33 11.495 1.487 -1.079 283 HD22 ASN 33 HD22 ASN 33 13.110 0.940 -0.774 284 H ILE 34 HN ILE 34 10.289 -4.136 0.836 285 HA ILE 34 HA ILE 34 8.678 -3.769 3.169 286 HB ILE 34 HB ILE 34 8.719 -5.998 2.552 287 HG12 ILE 34 HG12 ILE 34 9.556 -5.584 5.040 288 HG13 ILE 34 HG11 ILE 34 9.387 -7.200 4.381 289 HG21 ILE 34 HG21 ILE 34 10.800 -7.276 2.038 290 HG22 ILE 34 HG22 ILE 34 11.650 -5.730 2.052 291 HG23 ILE 34 HG23 ILE 34 10.351 -6.018 0.895 292 HD11 ILE 34 HD11 ILE 34 11.812 -7.297 3.990 293 HD12 ILE 34 HD12 ILE 34 11.447 -6.962 5.683 294 HD13 ILE 34 HD13 ILE 34 11.980 -5.659 4.621 295 H LEU 35 HN LEU 35 9.197 -2.965 5.087 296 HA LEU 35 HA LEU 35 11.986 -2.205 5.604 297 HB2 LEU 35 HB2 LEU 35 9.576 -1.463 7.278 298 HB3 LEU 35 HB1 LEU 35 11.184 -0.803 7.409 299 HG LEU 35 HG LEU 35 10.071 0.938 6.437 300 HD11 LEU 35 HD11 LEU 35 10.555 1.109 4.052 301 HD12 LEU 35 HD12 LEU 35 10.933 -0.613 4.014 302 HD13 LEU 35 HD13 LEU 35 11.923 0.484 4.973 303 HD21 LEU 35 HD21 LEU 35 8.246 0.802 4.878 304 HD22 LEU 35 HD22 LEU 35 7.931 -0.234 6.270 305 HD23 LEU 35 HD23 LEU 35 8.456 -0.941 4.742 306 H LYS 36 HN LYS 36 9.471 -4.368 6.642 307 HA LYS 36 HA LYS 36 11.209 -5.495 8.715 308 HB2 LYS 36 HB2 LYS 36 9.806 -3.789 9.796 309 HB3 LYS 36 HB1 LYS 36 8.371 -4.539 9.147 310 HG2 LYS 36 HG2 LYS 36 10.075 -6.211 10.900 311 HG3 LYS 36 HG1 LYS 36 9.192 -4.887 11.660 312 HD2 LYS 36 HD2 LYS 36 7.182 -5.928 10.252 313 HD3 LYS 36 HD1 LYS 36 8.175 -7.379 10.370 314 HE2 LYS 36 HE2 LYS 36 6.651 -7.399 12.193 315 HE3 LYS 36 HE1 LYS 36 8.246 -7.019 12.842 316 HZ1 LYS 36 HZ1 LYS 36 6.216 -4.957 12.171 317 HZ2 LYS 36 HZ2 LYS 36 7.659 -4.739 13.031 318 HZ3 LYS 36 HZ3 LYS 36 6.397 -5.630 13.713 319 H CYS 37 HN CYS 37 11.225 -7.653 8.594 320 HA CYS 37 HA CYS 37 8.853 -9.070 7.579 321 HB2 CYS 37 HB2 CYS 37 11.638 -9.218 6.643 322 HB3 CYS 37 HB1 CYS 37 10.934 -10.788 7.011 323 HG CYS 37 HG CYS 37 10.819 -9.974 4.218 324 H ASP 38 HN ASP 38 8.003 -10.201 9.225 325 HA ASP 38 HA ASP 38 9.883 -11.482 11.074 326 HB2 ASP 38 HB2 ASP 38 8.836 -9.428 12.076 327 HB3 ASP 38 HB1 ASP 38 7.274 -10.233 11.937 328 H VAL 39 HN VAL 39 9.600 -13.584 11.280 329 HA VAL 39 HA VAL 39 7.194 -14.757 10.099 330 HB VAL 39 HB VAL 39 9.891 -16.039 10.641 331 HG11 VAL 39 HG11 VAL 39 7.498 -17.192 9.203 332 HG12 VAL 39 HG12 VAL 39 8.070 -17.680 10.799 333 HG13 VAL 39 HG13 VAL 39 9.076 -17.958 9.379 334 HG21 VAL 39 HG21 VAL 39 8.583 -15.197 8.051 335 HG22 VAL 39 HG22 VAL 39 10.098 -16.089 8.184 336 HG23 VAL 39 HG23 VAL 39 9.985 -14.444 8.809 337 H LYS 40 HN LYS 40 5.755 -15.827 11.274 338 HA LYS 40 HA LYS 40 6.252 -16.181 14.159 339 HB2 LYS 40 HB2 LYS 40 3.608 -16.107 12.707 340 HB3 LYS 40 HB1 LYS 40 3.834 -16.115 14.433 341 HG2 LYS 40 HG2 LYS 40 4.719 -13.879 12.627 342 HG3 LYS 40 HG1 LYS 40 3.167 -13.922 13.466 343 HD2 LYS 40 HD2 LYS 40 4.471 -14.161 15.609 344 HD3 LYS 40 HD1 LYS 40 5.925 -13.814 14.669 345 HE2 LYS 40 HE2 LYS 40 4.861 -11.693 13.925 346 HE3 LYS 40 HE1 LYS 40 3.522 -12.028 15.021 347 HZ1 LYS 40 HZ1 LYS 40 5.097 -12.020 16.864 348 HZ2 LYS 40 HZ2 LYS 40 5.119 -10.547 16.033 349 HZ3 LYS 40 HZ3 LYS 40 6.363 -11.667 15.792 350 H LYS 41 HN LYS 41 6.045 -18.213 15.061 351 HA LYS 41 HA LYS 41 4.999 -20.341 13.333 352 HB2 LYS 41 HB2 LYS 41 7.592 -20.173 13.554 353 HB3 LYS 41 HB1 LYS 41 7.333 -20.817 15.164 354 HG2 LYS 41 HG2 LYS 41 7.929 -22.586 13.634 355 HG3 LYS 41 HG1 LYS 41 6.283 -22.813 14.210 356 HD2 LYS 41 HD2 LYS 41 6.454 -23.310 11.819 357 HD3 LYS 41 HD1 LYS 41 5.422 -21.915 12.092 358 HE2 LYS 41 HE2 LYS 41 6.857 -21.530 10.179 359 HE3 LYS 41 HE1 LYS 41 7.284 -20.427 11.479 360 HZ1 LYS 41 HZ1 LYS 41 9.249 -21.300 10.466 361 HZ2 LYS 41 HZ2 LYS 41 8.744 -22.894 10.710 362 HZ3 LYS 41 HZ3 LYS 41 9.134 -21.918 12.034 363 H THR 42 HN THR 42 3.434 -21.498 14.280 364 HA THR 42 HA THR 42 3.149 -21.297 17.189 365 HB THR 42 HB THR 42 1.196 -20.569 15.873 366 HG1 THR 42 HG1 THR 42 -0.359 -21.766 17.026 367 HG21 THR 42 HG21 THR 42 1.040 -23.430 14.942 368 HG22 THR 42 HG22 THR 42 1.397 -22.028 13.936 369 HG23 THR 42 HG23 THR 42 -0.195 -22.200 14.676 370 H VAL 43 HN VAL 43 2.284 -23.244 18.309 371 HA VAL 43 HA VAL 43 3.933 -25.557 17.860 372 HB VAL 43 HB VAL 43 1.672 -25.279 19.869 373 HG11 VAL 43 HG11 VAL 43 2.979 -26.824 21.238 374 HG12 VAL 43 HG12 VAL 43 4.184 -26.940 19.956 375 HG13 VAL 43 HG13 VAL 43 2.549 -27.542 19.684 376 HG21 VAL 43 HG21 VAL 43 3.329 -24.454 21.478 377 HG22 VAL 43 HG22 VAL 43 3.136 -23.351 20.114 378 HG23 VAL 43 HG23 VAL 43 4.541 -24.413 20.197 379 H SER 44 HN SER 44 0.875 -24.578 16.731 380 HA SER 44 HA SER 44 -0.420 -27.123 16.528 381 HB2 SER 44 HB2 SER 44 -1.037 -24.582 14.993 382 HB3 SER 44 HB1 SER 44 -2.130 -25.934 15.287 383 HG SER 44 HG SER 44 -2.634 -25.031 17.107 384 H GLY 45 HN GLY 45 2.078 -25.683 14.701 385 HA2 GLY 45 HA2 GLY 45 3.275 -26.985 13.104 386 HA3 GLY 45 HA1 GLY 45 1.781 -27.801 12.685 387 H ALA 46 HN ALA 46 0.923 -24.664 12.816 388 HA ALA 46 HA ALA 46 1.140 -24.360 9.939 389 HB1 ALA 46 HB1 ALA 46 -0.275 -22.602 11.942 390 HB2 ALA 46 HB2 ALA 46 -1.017 -23.914 11.026 391 HB3 ALA 46 HB3 ALA 46 -0.399 -22.489 10.187 392 H ALA 47 HN ALA 47 2.165 -22.752 8.887 393 HA ALA 47 HA ALA 47 4.140 -21.218 10.413 394 HB1 ALA 47 HB1 ALA 47 5.317 -20.980 8.249 395 HB2 ALA 47 HB2 ALA 47 4.057 -21.945 7.480 396 HB3 ALA 47 HB3 ALA 47 5.099 -22.671 8.704 397 H PHE 48 HN PHE 48 4.223 -18.984 10.204 398 HA PHE 48 HA PHE 48 2.303 -17.724 8.383 399 HB2 PHE 48 HB2 PHE 48 2.711 -16.546 11.104 400 HB3 PHE 48 HB1 PHE 48 1.431 -16.229 9.971 401 HD1 PHE 48 HD2 PHE 48 -0.312 -18.071 9.632 402 HD2 PHE 48 HD1 PHE 48 2.413 -17.989 12.887 403 HE1 PHE 48 HE2 PHE 48 -1.803 -19.550 10.907 404 HE2 PHE 48 HE1 PHE 48 0.929 -19.453 14.166 405 HZ PHE 48 HZ PHE 48 -1.183 -20.238 13.187 406 H ALA 49 HN ALA 49 2.910 -15.634 7.713 407 HA ALA 49 HA ALA 49 5.378 -14.556 8.826 408 HB1 ALA 49 HB1 ALA 49 5.997 -15.696 6.723 409 HB2 ALA 49 HB2 ALA 49 6.271 -13.956 6.666 410 HB3 ALA 49 HB3 ALA 49 4.872 -14.654 5.851 411 H PHE 50 HN PHE 50 5.435 -12.455 9.027 412 HA PHE 50 HA PHE 50 3.039 -10.870 8.350 413 HB2 PHE 50 HB2 PHE 50 3.778 -11.536 10.813 414 HB3 PHE 50 HB1 PHE 50 4.968 -10.268 10.586 415 HD1 PHE 50 HD1 PHE 50 1.341 -10.948 10.560 416 HD2 PHE 50 HD2 PHE 50 4.416 -8.050 11.019 417 HE1 PHE 50 HE1 PHE 50 -0.320 -9.334 11.393 418 HE2 PHE 50 HE2 PHE 50 2.766 -6.423 11.847 419 HZ PHE 50 HZ PHE 50 0.394 -7.066 12.037 420 H ILE 51 HN ILE 51 3.525 -9.314 6.820 421 HA ILE 51 HA ILE 51 6.380 -8.550 6.595 422 HB ILE 51 HB ILE 51 4.655 -8.861 4.138 423 HG12 ILE 51 HG12 ILE 51 6.363 -10.918 3.871 424 HG13 ILE 51 HG11 ILE 51 6.179 -10.957 5.618 425 HG21 ILE 51 HG21 ILE 51 7.638 -8.725 4.565 426 HG22 ILE 51 HG22 ILE 51 6.611 -7.415 3.982 427 HG23 ILE 51 HG23 ILE 51 6.823 -8.870 3.007 428 HD11 ILE 51 HD11 ILE 51 4.651 -12.492 4.540 429 HD12 ILE 51 HD12 ILE 51 3.960 -11.175 3.591 430 HD13 ILE 51 HD13 ILE 51 3.757 -11.201 5.345 431 H GLU 52 HN GLU 52 6.641 -6.470 6.862 432 HA GLU 52 HA GLU 52 4.382 -4.676 6.420 433 HB2 GLU 52 HB2 GLU 52 5.635 -5.240 8.698 434 HB3 GLU 52 HB1 GLU 52 6.686 -3.954 8.132 435 HG2 GLU 52 HG2 GLU 52 5.107 -2.356 8.392 436 HG3 GLU 52 HG1 GLU 52 3.765 -3.474 8.182 437 H PHE 53 HN PHE 53 4.554 -3.609 4.584 438 HA PHE 53 HA PHE 53 7.152 -2.566 3.672 439 HB2 PHE 53 HB2 PHE 53 5.904 -2.514 1.365 440 HB3 PHE 53 HB1 PHE 53 6.625 -4.004 1.961 441 HD1 PHE 53 HD2 PHE 53 3.358 -2.211 2.350 442 HD2 PHE 53 HD1 PHE 53 5.399 -5.870 1.619 443 HE1 PHE 53 HE2 PHE 53 1.207 -3.370 2.155 444 HE2 PHE 53 HE1 PHE 53 3.248 -7.020 1.422 445 HZ PHE 53 HZ PHE 53 1.158 -5.771 1.681 446 H GLU 54 HN GLU 54 6.984 -0.605 2.167 447 HA GLU 54 HA GLU 54 5.506 1.387 3.637 448 HB2 GLU 54 HB2 GLU 54 6.868 3.038 2.722 449 HB3 GLU 54 HB1 GLU 54 7.928 1.659 2.887 450 HG2 GLU 54 HG2 GLU 54 7.771 1.229 0.489 451 HG3 GLU 54 HG1 GLU 54 6.678 2.602 0.311 452 H ASP 55 HN ASP 55 5.041 -0.197 0.511 453 HA ASP 55 HA ASP 55 2.762 1.644 0.107 454 HB2 ASP 55 HB2 ASP 55 4.741 0.692 -1.814 455 HB3 ASP 55 HB1 ASP 55 3.083 0.449 -2.356 456 H ALA 56 HN ALA 56 0.880 0.868 0.322 457 HA ALA 56 HA ALA 56 0.416 -1.939 0.697 458 HB1 ALA 56 HB1 ALA 56 -1.973 -0.367 0.726 459 HB2 ALA 56 HB2 ALA 56 -0.699 0.418 1.654 460 HB3 ALA 56 HB3 ALA 56 -1.182 -1.235 2.042 461 H ARG 57 HN ARG 57 -0.675 0.464 -1.713 462 HA ARG 57 HA ARG 57 -2.563 -1.393 -2.823 463 HB2 ARG 57 HB2 ARG 57 -3.475 0.317 -4.059 464 HB3 ARG 57 HB1 ARG 57 -2.805 1.190 -2.701 465 HG2 ARG 57 HG2 ARG 57 -1.368 0.950 -5.333 466 HG3 ARG 57 HG1 ARG 57 -2.532 2.225 -4.986 467 HD2 ARG 57 HD2 ARG 57 -0.687 2.125 -2.831 468 HD3 ARG 57 HD1 ARG 57 0.238 2.115 -4.330 469 HE ARG 57 HE ARG 57 -1.670 4.202 -3.485 470 HH11 ARG 57 HH11 ARG 57 0.918 3.166 -5.652 471 HH12 ARG 57 HH12 ARG 57 1.156 4.748 -6.301 472 HH21 ARG 57 HH21 ARG 57 -1.329 6.244 -4.309 473 HH22 ARG 57 HH22 ARG 57 -0.126 6.510 -5.533 474 H ASP 58 HN ASP 58 0.713 -0.599 -3.511 475 HA ASP 58 HA ASP 58 0.754 -1.584 -6.202 476 HB2 ASP 58 HB2 ASP 58 2.392 0.059 -5.080 477 HB3 ASP 58 HB1 ASP 58 3.153 -1.367 -4.386 478 H ALA 59 HN ALA 59 1.085 -2.901 -3.035 479 HA ALA 59 HA ALA 59 2.178 -5.437 -3.600 480 HB1 ALA 59 HB1 ALA 59 0.360 -4.624 -1.340 481 HB2 ALA 59 HB2 ALA 59 2.116 -4.450 -1.352 482 HB3 ALA 59 HB3 ALA 59 1.382 -6.057 -1.383 483 H ALA 60 HN ALA 60 -0.993 -4.147 -4.023 484 HA ALA 60 HA ALA 60 -2.621 -6.350 -3.508 485 HB1 ALA 60 HB1 ALA 60 -3.434 -4.046 -3.647 486 HB2 ALA 60 HB2 ALA 60 -4.380 -5.145 -4.651 487 HB3 ALA 60 HB3 ALA 60 -3.192 -4.078 -5.397 488 H ASP 61 HN ASP 61 -0.924 -5.544 -6.491 489 HA ASP 61 HA ASP 61 -2.256 -7.358 -8.235 490 HB2 ASP 61 HB2 ASP 61 0.010 -5.561 -8.347 491 HB3 ASP 61 HB1 ASP 61 0.387 -7.084 -9.150 492 H ALA 62 HN ALA 62 0.667 -7.674 -6.308 493 HA ALA 62 HA ALA 62 1.171 -10.347 -7.172 494 HB1 ALA 62 HB1 ALA 62 2.324 -8.724 -4.932 495 HB2 ALA 62 HB2 ALA 62 2.936 -8.804 -6.586 496 HB3 ALA 62 HB3 ALA 62 2.988 -10.233 -5.547 497 H ILE 63 HN ILE 63 -0.478 -8.849 -4.454 498 HA ILE 63 HA ILE 63 -0.836 -11.271 -3.047 499 HB ILE 63 HB ILE 63 -1.078 -8.714 -2.261 500 HG12 ILE 63 HG12 ILE 63 -0.845 -10.790 -0.885 501 HG13 ILE 63 HG11 ILE 63 -1.816 -9.534 -0.153 502 HG21 ILE 63 HG21 ILE 63 -3.965 -9.553 -2.443 503 HG22 ILE 63 HG22 ILE 63 -3.194 -8.351 -3.477 504 HG23 ILE 63 HG23 ILE 63 -3.320 -8.070 -1.739 505 HD11 ILE 63 HD11 ILE 63 -2.880 -12.018 -1.478 506 HD12 ILE 63 HD12 ILE 63 -3.844 -10.761 -0.707 507 HD13 ILE 63 HD13 ILE 63 -2.742 -11.738 0.260 508 H LYS 64 HN LYS 64 -2.681 -9.647 -5.662 509 HA LYS 64 HA LYS 64 -4.664 -11.715 -5.559 510 HB2 LYS 64 HB2 LYS 64 -5.653 -10.853 -7.586 511 HB3 LYS 64 HB1 LYS 64 -5.351 -9.557 -6.446 512 HG2 LYS 64 HG2 LYS 64 -4.569 -8.488 -8.241 513 HG3 LYS 64 HG1 LYS 64 -3.112 -9.423 -7.925 514 HD2 LYS 64 HD2 LYS 64 -3.984 -11.175 -9.510 515 HD3 LYS 64 HD1 LYS 64 -5.280 -10.054 -9.933 516 HE2 LYS 64 HE2 LYS 64 -3.658 -8.438 -10.740 517 HE3 LYS 64 HE1 LYS 64 -2.332 -9.464 -10.199 518 HZ1 LYS 64 HZ1 LYS 64 -4.276 -10.101 -12.349 519 HZ2 LYS 64 HZ2 LYS 64 -3.083 -11.157 -11.779 520 HZ3 LYS 64 HZ3 LYS 64 -2.641 -9.716 -12.544 521 H GLU 65 HN GLU 65 -1.516 -11.452 -7.041 522 HA GLU 65 HA GLU 65 -1.924 -13.763 -8.653 523 HB2 GLU 65 HB2 GLU 65 0.221 -13.594 -9.368 524 HB3 GLU 65 HB1 GLU 65 0.040 -11.974 -8.733 525 HG2 GLU 65 HG2 GLU 65 2.025 -12.393 -7.781 526 HG3 GLU 65 HG1 GLU 65 1.077 -13.263 -6.585 527 H LYS 66 HN LYS 66 -1.072 -13.523 -5.103 528 HA LYS 66 HA LYS 66 -1.597 -16.444 -5.310 529 HB2 LYS 66 HB2 LYS 66 -0.476 -16.972 -3.290 530 HB3 LYS 66 HB1 LYS 66 0.582 -16.032 -4.308 531 HG2 LYS 66 HG2 LYS 66 -0.932 -14.795 -2.032 532 HG3 LYS 66 HG1 LYS 66 0.596 -15.626 -1.786 533 HD2 LYS 66 HD2 LYS 66 0.186 -13.272 -3.603 534 HD3 LYS 66 HD1 LYS 66 0.812 -13.192 -1.958 535 HE2 LYS 66 HE2 LYS 66 2.090 -14.738 -4.211 536 HE3 LYS 66 HE1 LYS 66 2.562 -13.127 -3.701 537 HZ1 LYS 66 HZ1 LYS 66 3.029 -14.076 -1.479 538 HZ2 LYS 66 HZ2 LYS 66 4.032 -14.664 -2.704 539 HZ3 LYS 66 HZ3 LYS 66 2.764 -15.621 -2.118 540 H ASP 67 HN ASP 67 -3.586 -14.100 -4.848 541 HA ASP 67 HA ASP 67 -5.018 -14.914 -2.505 542 HB2 ASP 67 HB2 ASP 67 -6.315 -13.115 -2.748 543 HB3 ASP 67 HB1 ASP 67 -5.150 -12.643 -3.940 544 H GLY 68 HN GLY 68 -7.459 -15.615 -2.652 545 HA2 GLY 68 HA2 GLY 68 -8.767 -17.425 -3.622 546 HA3 GLY 68 HA1 GLY 68 -7.275 -18.040 -4.327 547 H CYS 69 HN CYS 69 -7.478 -16.767 -1.092 548 HA CYS 69 HA CYS 69 -5.830 -18.756 -0.040 549 HB2 CYS 69 HB2 CYS 69 -6.545 -17.709 2.174 550 HB3 CYS 69 HB1 CYS 69 -5.852 -16.620 0.979 551 HG CYS 69 HG CYS 69 -7.795 -15.063 1.975 552 H ASP 70 HN ASP 70 -6.122 -20.552 1.058 553 HA ASP 70 HA ASP 70 -8.839 -21.602 1.271 554 HB2 ASP 70 HB2 ASP 70 -7.150 -22.128 -0.851 555 HB3 ASP 70 HB1 ASP 70 -6.940 -23.530 0.193 556 H PHE 71 HN PHE 71 -9.143 -23.354 2.507 557 HA PHE 71 HA PHE 71 -7.155 -24.227 4.415 558 HB2 PHE 71 HB2 PHE 71 -8.312 -22.125 5.336 559 HB3 PHE 71 HB1 PHE 71 -9.774 -23.100 5.415 560 HD1 PHE 71 HD2 PHE 71 -6.184 -23.416 6.431 561 HD2 PHE 71 HD1 PHE 71 -10.271 -24.015 7.473 562 HE1 PHE 71 HE2 PHE 71 -5.494 -24.273 8.628 563 HE2 PHE 71 HE1 PHE 71 -9.582 -24.877 9.679 564 HZ PHE 71 HZ PHE 71 -7.189 -25.000 10.257 565 H GLU 72 HN GLU 72 -7.706 -26.273 5.375 566 HA GLU 72 HA GLU 72 -8.629 -28.296 5.655 567 HB2 GLU 72 HB2 GLU 72 -11.181 -27.111 4.583 568 HB3 GLU 72 HB1 GLU 72 -11.038 -28.750 5.197 569 HG2 GLU 72 HG2 GLU 72 -10.329 -27.813 7.391 570 HG3 GLU 72 HG1 GLU 72 -10.611 -26.201 6.736 571 H GLY 73 HN GLY 73 -6.996 -28.558 3.973 572 HA2 GLY 73 HA2 GLY 73 -6.518 -30.489 2.663 573 HA3 GLY 73 HA1 GLY 73 -8.119 -30.382 1.960 574 H ASN 74 HN ASN 74 -7.572 -27.366 1.583 575 HA ASN 74 HA ASN 74 -5.216 -27.497 -0.188 576 HB2 ASN 74 HB2 ASN 74 -7.657 -25.719 -0.277 577 HB3 ASN 74 HB1 ASN 74 -6.144 -25.211 -1.001 578 HD21 ASN 74 HD21 ASN 74 -7.269 -25.047 -2.952 579 HD22 ASN 74 HD22 ASN 74 -7.601 -26.444 -3.915 580 H LYS 75 HN LYS 75 -3.508 -26.619 0.792 581 HA LYS 75 HA LYS 75 -3.951 -24.849 3.075 582 HB2 LYS 75 HB2 LYS 75 -2.136 -26.993 2.519 583 HB3 LYS 75 HB1 LYS 75 -1.211 -25.535 2.833 584 HG2 LYS 75 HG2 LYS 75 -1.586 -26.940 4.843 585 HG3 LYS 75 HG1 LYS 75 -2.179 -25.296 5.010 586 HD2 LYS 75 HD2 LYS 75 -3.799 -26.752 5.994 587 HD3 LYS 75 HD1 LYS 75 -4.486 -26.163 4.492 588 HE2 LYS 75 HE2 LYS 75 -4.994 -28.477 4.638 589 HE3 LYS 75 HE1 LYS 75 -3.756 -28.290 3.404 590 HZ1 LYS 75 HZ1 LYS 75 -3.285 -29.177 6.194 591 HZ2 LYS 75 HZ2 LYS 75 -2.096 -29.010 5.001 592 HZ3 LYS 75 HZ3 LYS 75 -3.314 -30.174 4.830 593 H LEU 76 HN LEU 76 -4.129 -22.721 2.365 594 HA LEU 76 HA LEU 76 -1.748 -21.447 1.352 595 HB2 LEU 76 HB2 LEU 76 -2.635 -22.510 -0.738 596 HB3 LEU 76 HB1 LEU 76 -4.108 -21.595 -0.546 597 HG LEU 76 HG LEU 76 -2.513 -19.519 -0.694 598 HD11 LEU 76 HD11 LEU 76 -0.603 -19.868 -2.140 599 HD12 LEU 76 HD12 LEU 76 -0.885 -21.609 -2.114 600 HD13 LEU 76 HD13 LEU 76 -0.429 -20.767 -0.633 601 HD21 LEU 76 HD21 LEU 76 -3.231 -21.202 -3.080 602 HD22 LEU 76 HD22 LEU 76 -2.819 -19.487 -3.118 603 HD23 LEU 76 HD23 LEU 76 -4.272 -20.027 -2.274 604 H ARG 77 HN ARG 77 -2.437 -20.244 3.470 605 HA ARG 77 HA ARG 77 -4.835 -18.616 2.954 606 HB2 ARG 77 HB2 ARG 77 -4.672 -19.994 5.043 607 HB3 ARG 77 HB1 ARG 77 -3.308 -19.016 5.533 608 HG2 ARG 77 HG2 ARG 77 -5.959 -17.746 5.014 609 HG3 ARG 77 HG1 ARG 77 -5.647 -18.574 6.535 610 HD2 ARG 77 HD2 ARG 77 -3.638 -17.113 6.832 611 HD3 ARG 77 HD1 ARG 77 -4.151 -16.208 5.410 612 HE ARG 77 HE ARG 77 -5.208 -16.012 8.045 613 HH11 ARG 77 HH11 ARG 77 -6.090 -15.618 4.654 614 HH12 ARG 77 HH12 ARG 77 -7.371 -14.497 4.996 615 HH21 ARG 77 HH22 ARG 77 -6.894 -14.526 8.472 616 HH22 ARG 77 HH21 ARG 77 -7.822 -13.882 7.153 617 H VAL 78 HN VAL 78 -4.293 -16.742 1.870 618 HA VAL 78 HA VAL 78 -2.148 -15.099 3.053 619 HB VAL 78 HB VAL 78 -2.659 -14.847 0.114 620 HG11 VAL 78 HG11 VAL 78 -0.978 -13.400 0.252 621 HG12 VAL 78 HG12 VAL 78 0.087 -14.649 0.894 622 HG13 VAL 78 HG13 VAL 78 -0.906 -13.688 1.989 623 HG21 VAL 78 HG21 VAL 78 -0.825 -16.948 1.267 624 HG22 VAL 78 HG22 VAL 78 -0.829 -16.426 -0.414 625 HG23 VAL 78 HG23 VAL 78 -2.247 -17.223 0.263 626 H GLU 79 HN GLU 79 -3.016 -13.124 3.737 627 HA GLU 79 HA GLU 79 -4.677 -11.796 1.792 628 HB2 GLU 79 HB2 GLU 79 -6.535 -11.243 3.122 629 HB3 GLU 79 HB1 GLU 79 -6.302 -12.971 3.314 630 HG2 GLU 79 HG2 GLU 79 -5.462 -12.703 5.511 631 HG3 GLU 79 HG1 GLU 79 -5.300 -10.959 5.311 632 H VAL 80 HN VAL 80 -5.046 -9.601 2.104 633 HA VAL 80 HA VAL 80 -3.114 -8.198 3.722 634 HB VAL 80 HB VAL 80 -4.066 -6.131 2.730 635 HG11 VAL 80 HG11 VAL 80 -3.483 -6.581 0.363 636 HG12 VAL 80 HG12 VAL 80 -3.464 -8.308 0.729 637 HG13 VAL 80 HG13 VAL 80 -2.308 -7.223 1.503 638 HG21 VAL 80 HG21 VAL 80 -6.409 -6.811 2.486 639 HG22 VAL 80 HG22 VAL 80 -5.949 -7.950 1.218 640 HG23 VAL 80 HG23 VAL 80 -5.747 -6.216 0.963 641 HA PRO 81 HA PRO 81 -6.310 -7.595 6.914 642 HB2 PRO 81 HB2 PRO 81 -4.627 -6.770 8.886 643 HB3 PRO 81 HB1 PRO 81 -4.884 -8.479 8.490 644 HG2 PRO 81 HG2 PRO 81 -2.606 -6.710 7.826 645 HG3 PRO 81 HG1 PRO 81 -2.625 -8.445 8.183 646 HD2 PRO 81 HD2 PRO 81 -2.451 -7.332 5.653 647 HD3 PRO 81 HD1 PRO 81 -2.941 -8.996 6.011 648 H PHE 82 HN PHE 82 -4.737 -5.429 5.006 649 HA PHE 82 HA PHE 82 -5.726 -3.158 6.561 650 HB2 PHE 82 HB2 PHE 82 -4.512 -1.723 4.812 651 HB3 PHE 82 HB1 PHE 82 -3.538 -2.580 5.987 652 HD1 PHE 82 HD1 PHE 82 -4.502 -2.414 2.419 653 HD2 PHE 82 HD2 PHE 82 -1.966 -4.240 5.301 654 HE1 PHE 82 HE1 PHE 82 -3.080 -3.277 0.619 655 HE2 PHE 82 HE2 PHE 82 -0.550 -5.106 3.502 656 HZ PHE 82 HZ PHE 82 -1.105 -4.637 1.163 657 H ASN 83 HN ASN 83 -5.760 -4.227 3.164 658 HA ASN 83 HA ASN 83 -7.038 -3.805 1.360 659 HB2 ASN 83 HB2 ASN 83 -8.602 -5.062 3.148 660 HB3 ASN 83 HB1 ASN 83 -9.542 -3.587 2.948 661 HD21 ASN 83 HD21 ASN 83 -10.431 -3.119 0.914 662 HD22 ASN 83 HD22 ASN 83 -10.608 -4.340 -0.302 663 H ALA 84 HN ALA 84 -5.932 -1.423 2.641 664 HA ALA 84 HA ALA 84 -7.701 0.613 1.551 665 HB1 ALA 84 HB1 ALA 84 -7.702 1.944 3.568 666 HB2 ALA 84 HB2 ALA 84 -6.711 0.741 4.393 667 HB3 ALA 84 HB3 ALA 84 -8.362 0.347 3.924 668 H ARG 85 HN ARG 85 -6.528 2.034 0.421 669 HA ARG 85 HA ARG 85 -4.269 3.397 1.462 670 HB2 ARG 85 HB2 ARG 85 -3.078 1.357 0.872 671 HB3 ARG 85 HB1 ARG 85 -3.736 1.400 -0.750 672 HG2 ARG 85 HG2 ARG 85 -1.434 2.091 -0.800 673 HG3 ARG 85 HG1 ARG 85 -2.457 3.474 -1.177 674 HD2 ARG 85 HD2 ARG 85 -2.134 4.396 0.999 675 HD3 ARG 85 HD1 ARG 85 -1.327 2.933 1.565 676 HE ARG 85 HE ARG 85 -0.220 4.743 -0.498 677 HH11 ARG 85 HH12 ARG 85 0.262 2.649 2.294 678 HH12 ARG 85 HH11 ARG 85 1.977 2.888 2.317 679 HH21 ARG 85 HH21 ARG 85 2.039 4.962 -0.494 680 HH22 ARG 85 HH22 ARG 85 2.980 4.195 0.740 681 H GLU 86 HN GLU 86 -3.975 5.283 0.451 682 HA GLU 86 HA GLU 86 -5.452 5.932 -1.966 683 HB2 GLU 86 HB2 GLU 86 -4.798 7.368 0.276 684 HB3 GLU 86 HB1 GLU 86 -3.534 7.883 -0.830 685 HG2 GLU 86 HG2 GLU 86 -6.476 8.010 -1.454 686 HG3 GLU 86 HG1 GLU 86 -5.545 9.337 -0.774 Start of MODEL 18 1 H1 GLY -2 HT1 GLY -2 -14.001 -2.710 -1.281 2 H2 GLY -2 HT2 GLY -2 -14.831 -1.346 -1.837 3 H3 GLY -2 HT3 GLY -2 -15.166 -1.969 -0.303 4 HA2 GLY -2 HA1 GLY -2 -12.924 -1.438 0.421 5 HA3 GLY -2 HA2 GLY -2 -12.613 -0.743 -1.161 6 H SER -1 HN SER -1 -13.089 1.333 -1.482 7 HA SER -1 HA SER -1 -13.990 3.379 -1.415 8 HB2 SER -1 HB2 SER -1 -16.224 2.061 0.133 9 HB3 SER -1 HB1 SER -1 -16.302 3.673 -0.579 10 HG SER -1 HG SER -1 -17.178 2.314 -2.075 11 H HIS 0 HN HIS 0 -12.032 2.797 0.598 12 HA HIS 0 HA HIS 0 -12.587 5.090 2.318 13 HB2 HIS 0 HB2 HIS 0 -12.321 2.338 3.305 14 HB3 HIS 0 HB1 HIS 0 -11.219 3.472 4.070 15 HD1 HIS 0 HD1 HIS 0 -14.490 2.139 4.457 16 HD2 HIS 0 HD2 HIS 0 -12.769 5.873 5.054 17 HE1 HIS 0 HE1 HIS 0 -16.028 3.342 6.038 18 HE2 HIS 0 HE2 HIS 0 -14.866 5.523 6.527 19 H MET 1 HN MET 1 -10.643 6.049 3.200 20 HA MET 1 HA MET 1 -8.075 4.857 2.674 21 HB2 MET 1 HB2 MET 1 -7.195 6.956 1.499 22 HB3 MET 1 HB1 MET 1 -8.165 5.854 0.543 23 HG2 MET 1 HG2 MET 1 -10.111 7.372 0.884 24 HG3 MET 1 HG1 MET 1 -9.034 8.499 1.708 25 HE1 MET 1 HE1 MET 1 -10.179 6.928 -1.635 26 HE2 MET 1 HE2 MET 1 -8.547 6.261 -1.601 27 HE3 MET 1 HE3 MET 1 -8.976 7.480 -2.799 28 H VAL 2 HN VAL 2 -7.520 4.921 4.811 29 HA VAL 2 HA VAL 2 -6.473 7.365 5.813 30 HB VAL 2 HB VAL 2 -8.754 7.858 6.470 31 HG11 VAL 2 HG11 VAL 2 -8.795 5.267 8.013 32 HG12 VAL 2 HG12 VAL 2 -9.728 5.624 6.560 33 HG13 VAL 2 HG13 VAL 2 -10.041 6.510 8.054 34 HG21 VAL 2 HG21 VAL 2 -8.477 8.143 8.898 35 HG22 VAL 2 HG22 VAL 2 -7.041 8.608 7.983 36 HG23 VAL 2 HG23 VAL 2 -7.082 7.070 8.841 37 H ILE 3 HN ILE 3 -4.551 6.742 6.610 38 HA ILE 3 HA ILE 3 -4.419 4.914 8.800 39 HB ILE 3 HB ILE 3 -4.391 3.263 6.969 40 HG12 ILE 3 HG12 ILE 3 -1.639 3.429 8.212 41 HG13 ILE 3 HG11 ILE 3 -3.074 2.927 9.095 42 HG21 ILE 3 HG21 ILE 3 -2.532 3.093 5.388 43 HG22 ILE 3 HG22 ILE 3 -1.868 4.605 6.003 44 HG23 ILE 3 HG23 ILE 3 -3.425 4.602 5.176 45 HD11 ILE 3 HD11 ILE 3 -3.348 1.054 7.523 46 HD12 ILE 3 HD12 ILE 3 -1.816 1.001 8.392 47 HD13 ILE 3 HD13 ILE 3 -1.859 1.546 6.715 48 H ARG 4 HN ARG 4 -2.913 5.617 10.194 49 HA ARG 4 HA ARG 4 -0.361 6.702 9.249 50 HB2 ARG 4 HB2 ARG 4 -2.302 8.140 11.028 51 HB3 ARG 4 HB1 ARG 4 -0.581 8.332 11.297 52 HG2 ARG 4 HG2 ARG 4 -0.456 9.856 9.705 53 HG3 ARG 4 HG1 ARG 4 -1.159 8.747 8.522 54 HD2 ARG 4 HD2 ARG 4 -3.364 9.394 9.101 55 HD3 ARG 4 HD1 ARG 4 -2.808 10.268 10.524 56 HE ARG 4 HE ARG 4 -2.511 11.128 7.734 57 HH11 ARG 4 HH11 ARG 4 -2.246 11.865 11.166 58 HH12 ARG 4 HH12 ARG 4 -2.093 13.572 10.910 59 HH21 ARG 4 HH22 ARG 4 -2.426 13.404 7.435 60 HH22 ARG 4 HH21 ARG 4 -2.192 14.437 8.807 61 H GLU 5 HN GLU 5 1.294 5.935 10.402 62 HA GLU 5 HA GLU 5 2.602 5.025 12.005 63 HB2 GLU 5 HB2 GLU 5 0.457 6.101 13.837 64 HB3 GLU 5 HB1 GLU 5 1.976 5.421 14.401 65 HG2 GLU 5 HG2 GLU 5 3.230 7.172 13.401 66 HG3 GLU 5 HG1 GLU 5 1.821 7.766 12.522 67 H SER 6 HN SER 6 0.337 3.349 10.868 68 HA SER 6 HA SER 6 0.023 1.410 13.065 69 HB2 SER 6 HB2 SER 6 -2.059 2.545 12.182 70 HB3 SER 6 HB1 SER 6 -1.788 1.717 10.651 71 HG SER 6 HG SER 6 -1.737 0.102 12.869 72 H VAL 7 HN VAL 7 1.579 1.935 10.253 73 HA VAL 7 HA VAL 7 2.805 0.905 8.748 74 HB VAL 7 HB VAL 7 4.171 -0.948 9.263 75 HG11 VAL 7 HG11 VAL 7 5.155 -0.263 11.372 76 HG12 VAL 7 HG12 VAL 7 3.722 0.695 11.732 77 HG13 VAL 7 HG13 VAL 7 4.735 1.112 10.348 78 HG21 VAL 7 HG21 VAL 7 2.649 -2.606 10.155 79 HG22 VAL 7 HG22 VAL 7 2.363 -1.625 11.593 80 HG23 VAL 7 HG23 VAL 7 3.954 -2.322 11.305 81 H SER 8 HN SER 8 2.794 -0.244 6.918 82 HA SER 8 HA SER 8 0.385 -1.769 6.378 83 HB2 SER 8 HB2 SER 8 2.660 -0.864 4.599 84 HB3 SER 8 HB1 SER 8 1.268 -1.781 4.023 85 HG SER 8 HG SER 8 1.004 0.651 5.435 86 H ARG 9 HN ARG 9 0.279 -3.880 6.608 87 HA ARG 9 HA ARG 9 2.614 -5.528 6.097 88 HB2 ARG 9 HB2 ARG 9 1.886 -6.902 8.236 89 HB3 ARG 9 HB1 ARG 9 3.041 -5.593 8.329 90 HG2 ARG 9 HG2 ARG 9 1.520 -5.514 10.197 91 HG3 ARG 9 HG1 ARG 9 1.288 -4.103 9.173 92 HD2 ARG 9 HD2 ARG 9 -0.807 -4.761 8.503 93 HD3 ARG 9 HD1 ARG 9 -0.460 -6.471 8.713 94 HE ARG 9 HE ARG 9 -1.095 -6.321 10.926 95 HH11 ARG 9 HH11 ARG 9 -1.016 -3.069 9.571 96 HH12 ARG 9 HH12 ARG 9 -1.872 -2.367 10.901 97 HH21 ARG 9 HH21 ARG 9 -2.255 -5.419 12.630 98 HH22 ARG 9 HH22 ARG 9 -2.586 -3.719 12.659 99 H ILE 10 HN ILE 10 2.178 -7.788 5.741 100 HA ILE 10 HA ILE 10 -0.630 -8.323 4.945 101 HB ILE 10 HB ILE 10 1.893 -9.612 3.866 102 HG12 ILE 10 HG12 ILE 10 -0.027 -7.682 2.605 103 HG13 ILE 10 HG11 ILE 10 1.662 -7.412 2.996 104 HG21 ILE 10 HG21 ILE 10 0.479 -10.791 2.248 105 HG22 ILE 10 HG22 ILE 10 -0.958 -10.120 3.019 106 HG23 ILE 10 HG23 ILE 10 0.075 -11.240 3.908 107 HD11 ILE 10 HD11 ILE 10 0.655 -9.350 0.922 108 HD12 ILE 10 HD12 ILE 10 2.342 -9.015 1.306 109 HD13 ILE 10 HD13 ILE 10 1.331 -7.754 0.601 110 H TYR 11 HN TYR 11 -1.649 -10.098 5.677 111 HA TYR 11 HA TYR 11 -0.343 -11.633 7.827 112 HB2 TYR 11 HB2 TYR 11 -2.520 -10.381 8.262 113 HB3 TYR 11 HB1 TYR 11 -3.299 -11.452 7.116 114 HD1 TYR 11 HD2 TYR 11 -3.412 -13.949 7.680 115 HD2 TYR 11 HD1 TYR 11 -2.260 -10.990 10.517 116 HE1 TYR 11 HE2 TYR 11 -3.913 -15.513 9.505 117 HE2 TYR 11 HE1 TYR 11 -2.770 -12.550 12.353 118 HH TYR 11 HH TYR 11 -4.119 -14.528 12.766 119 H VAL 12 HN VAL 12 0.532 -13.465 7.089 120 HA VAL 12 HA VAL 12 -1.026 -15.079 5.185 121 HB VAL 12 HB VAL 12 1.987 -15.228 5.546 122 HG11 VAL 12 HG11 VAL 12 0.995 -17.272 4.727 123 HG12 VAL 12 HG12 VAL 12 1.925 -16.496 3.444 124 HG13 VAL 12 HG13 VAL 12 0.165 -16.385 3.453 125 HG21 VAL 12 HG21 VAL 12 1.532 -13.081 4.574 126 HG22 VAL 12 HG22 VAL 12 0.423 -13.796 3.411 127 HG23 VAL 12 HG23 VAL 12 2.146 -14.152 3.315 128 H GLY 13 HN GLY 13 -1.634 -17.048 5.966 129 HA2 GLY 13 HA2 GLY 13 -0.049 -18.259 8.099 130 HA3 GLY 13 HA1 GLY 13 -1.777 -18.078 8.339 131 H ASN 14 HN ASN 14 -0.303 -20.490 8.374 132 HA ASN 14 HA ASN 14 -0.660 -22.677 7.858 133 HB2 ASN 14 HB2 ASN 14 -3.034 -21.631 6.295 134 HB3 ASN 14 HB1 ASN 14 -2.777 -23.307 6.741 135 HD21 ASN 14 HD21 ASN 14 -4.969 -21.447 7.320 136 HD22 ASN 14 HD22 ASN 14 -5.120 -21.402 9.041 137 H LEU 15 HN LEU 15 1.118 -21.152 5.981 138 HA LEU 15 HA LEU 15 0.073 -21.762 3.354 139 HB2 LEU 15 HB2 LEU 15 1.550 -20.201 2.487 140 HB3 LEU 15 HB1 LEU 15 1.160 -19.555 4.065 141 HG LEU 15 HG LEU 15 3.540 -21.203 4.180 142 HD11 LEU 15 HD11 LEU 15 3.643 -18.799 2.370 143 HD12 LEU 15 HD12 LEU 15 3.654 -20.473 1.812 144 HD13 LEU 15 HD13 LEU 15 4.975 -19.870 2.805 145 HD21 LEU 15 HD21 LEU 15 3.123 -18.254 4.675 146 HD22 LEU 15 HD22 LEU 15 4.437 -19.256 5.290 147 HD23 LEU 15 HD23 LEU 15 2.788 -19.521 5.855 148 HA PRO 16 HA PRO 16 2.713 -25.280 2.477 149 HB2 PRO 16 HB2 PRO 16 2.575 -25.248 -0.238 150 HB3 PRO 16 HB1 PRO 16 1.229 -25.773 0.790 151 HG2 PRO 16 HG2 PRO 16 1.635 -23.169 -0.592 152 HG3 PRO 16 HG1 PRO 16 0.156 -24.132 -0.397 153 HD2 PRO 16 HD2 PRO 16 0.743 -21.959 1.139 154 HD3 PRO 16 HD1 PRO 16 -0.269 -23.310 1.686 155 H SER 17 HN SER 17 4.695 -25.826 1.737 156 HA SER 17 HA SER 17 6.856 -25.751 1.277 157 HB2 SER 17 HB2 SER 17 7.835 -24.425 -0.361 158 HB3 SER 17 HB1 SER 17 6.155 -24.482 -0.856 159 HG SER 17 HG SER 17 7.682 -22.353 -0.260 160 H HIS 18 HN HIS 18 5.507 -22.982 2.858 161 HA HIS 18 HA HIS 18 6.098 -21.692 4.579 162 HB2 HIS 18 HB2 HIS 18 6.688 -23.632 5.855 163 HB3 HIS 18 HB1 HIS 18 8.214 -23.805 5.009 164 HD1 HIS 18 HD1 HIS 18 6.594 -21.109 7.198 165 HD2 HIS 18 HD2 HIS 18 10.251 -22.944 6.512 166 HE1 HIS 18 HE1 HIS 18 8.192 -20.062 8.832 167 HE2 HIS 18 HE2 HIS 18 10.431 -21.098 8.303 168 H VAL 19 HN VAL 19 6.606 -19.774 3.829 169 HA VAL 19 HA VAL 19 9.098 -19.317 2.461 170 HB VAL 19 HB VAL 19 8.336 -16.890 2.410 171 HG11 VAL 19 HG11 VAL 19 6.645 -17.322 0.668 172 HG12 VAL 19 HG12 VAL 19 6.595 -19.012 1.171 173 HG13 VAL 19 HG13 VAL 19 8.081 -18.333 0.507 174 HG21 VAL 19 HG21 VAL 19 5.954 -16.449 2.799 175 HG22 VAL 19 HG22 VAL 19 6.785 -16.903 4.284 176 HG23 VAL 19 HG23 VAL 19 5.762 -18.072 3.456 177 H SER 20 HN SER 20 10.898 -18.534 3.270 178 HA SER 20 HA SER 20 11.124 -18.145 6.149 179 HB2 SER 20 HB2 SER 20 13.292 -18.112 4.023 180 HB3 SER 20 HB1 SER 20 13.538 -18.253 5.762 181 HG SER 20 HG SER 20 12.898 -20.154 3.906 182 H SER 21 HN SER 21 12.460 -16.253 6.947 183 HA SER 21 HA SER 21 11.226 -13.842 6.387 184 HB2 SER 21 HB2 SER 21 12.426 -14.305 8.473 185 HB3 SER 21 HB1 SER 21 13.959 -14.309 7.607 186 HG SER 21 HG SER 21 12.268 -12.140 8.230 187 H ARG 22 HN ARG 22 14.321 -14.990 5.176 188 HA ARG 22 HA ARG 22 15.148 -12.672 3.798 189 HB2 ARG 22 HB2 ARG 22 16.831 -14.128 4.460 190 HB3 ARG 22 HB1 ARG 22 15.958 -15.545 3.932 191 HG2 ARG 22 HG2 ARG 22 16.800 -13.734 1.773 192 HG3 ARG 22 HG1 ARG 22 18.108 -14.495 2.680 193 HD2 ARG 22 HD2 ARG 22 16.133 -16.474 2.127 194 HD3 ARG 22 HD1 ARG 22 16.491 -15.619 0.631 195 HE ARG 22 HE ARG 22 18.861 -16.157 1.040 196 HH11 ARG 22 HH12 ARG 22 16.418 -18.151 2.629 197 HH12 ARG 22 HH11 ARG 22 17.472 -19.513 2.793 198 HH21 ARG 22 HH21 ARG 22 20.220 -17.955 1.268 199 HH22 ARG 22 HH22 ARG 22 19.644 -19.404 2.013 200 H ASP 23 HN ASP 23 13.463 -15.587 2.777 201 HA ASP 23 HA ASP 23 13.502 -15.114 -0.019 202 HB2 ASP 23 HB2 ASP 23 11.613 -16.847 1.625 203 HB3 ASP 23 HB1 ASP 23 11.779 -16.887 -0.130 204 H VAL 24 HN VAL 24 11.109 -14.533 2.512 205 HA VAL 24 HA VAL 24 9.122 -13.267 0.958 206 HB VAL 24 HB VAL 24 9.770 -12.730 3.873 207 HG11 VAL 24 HG11 VAL 24 8.231 -11.120 2.881 208 HG12 VAL 24 HG12 VAL 24 7.439 -12.147 4.078 209 HG13 VAL 24 HG13 VAL 24 7.194 -12.447 2.357 210 HG21 VAL 24 HG21 VAL 24 9.415 -15.107 3.488 211 HG22 VAL 24 HG22 VAL 24 7.869 -14.734 2.718 212 HG23 VAL 24 HG23 VAL 24 8.113 -14.379 4.427 213 H GLU 25 HN GLU 25 11.996 -12.059 2.663 214 HA GLU 25 HA GLU 25 11.542 -9.317 2.385 215 HB2 GLU 25 HB2 GLU 25 13.248 -10.309 3.876 216 HB3 GLU 25 HB1 GLU 25 14.201 -10.759 2.475 217 HG2 GLU 25 HG2 GLU 25 14.902 -8.624 2.079 218 HG3 GLU 25 HG1 GLU 25 13.486 -7.894 2.823 219 H ASN 26 HN ASN 26 13.387 -11.514 0.152 220 HA ASN 26 HA ASN 26 13.820 -9.310 -1.646 221 HB2 ASN 26 HB2 ASN 26 14.891 -11.941 -1.397 222 HB3 ASN 26 HB1 ASN 26 14.352 -11.697 -3.055 223 HD21 ASN 26 HD21 ASN 26 16.441 -11.665 -3.820 224 HD22 ASN 26 HD22 ASN 26 17.506 -10.327 -3.570 225 H GLU 27 HN GLU 27 11.684 -12.173 -1.783 226 HA GLU 27 HA GLU 27 10.659 -11.744 -4.368 227 HB2 GLU 27 HB2 GLU 27 10.343 -13.862 -3.119 228 HB3 GLU 27 HB1 GLU 27 9.238 -13.040 -2.028 229 HG2 GLU 27 HG2 GLU 27 7.681 -12.640 -3.825 230 HG3 GLU 27 HG1 GLU 27 8.796 -13.332 -4.996 231 H PHE 28 HN PHE 28 9.498 -10.641 -1.211 232 HA PHE 28 HA PHE 28 7.444 -9.090 -2.457 233 HB2 PHE 28 HB2 PHE 28 8.175 -9.553 0.400 234 HB3 PHE 28 HB1 PHE 28 7.154 -8.181 -0.022 235 HD1 PHE 28 HD1 PHE 28 7.401 -11.868 -0.132 236 HD2 PHE 28 HD2 PHE 28 4.910 -8.456 -0.653 237 HE1 PHE 28 HE1 PHE 28 5.423 -13.322 -0.194 238 HE2 PHE 28 HE2 PHE 28 2.927 -9.907 -0.714 239 HZ PHE 28 HZ PHE 28 3.180 -12.342 -0.475 240 H ARG 29 HN ARG 29 10.808 -8.401 -1.515 241 HA ARG 29 HA ARG 29 10.492 -5.583 -1.588 242 HB2 ARG 29 HB2 ARG 29 12.750 -5.293 -1.473 243 HB3 ARG 29 HB1 ARG 29 12.643 -6.929 -0.874 244 HG2 ARG 29 HG2 ARG 29 14.257 -7.419 -2.337 245 HG3 ARG 29 HG1 ARG 29 13.030 -7.283 -3.593 246 HD2 ARG 29 HD2 ARG 29 14.276 -5.673 -4.499 247 HD3 ARG 29 HD1 ARG 29 13.853 -4.652 -3.126 248 HE ARG 29 HE ARG 29 15.930 -5.957 -2.129 249 HH11 ARG 29 HH11 ARG 29 15.586 -4.504 -5.320 250 HH12 ARG 29 HH12 ARG 29 17.279 -4.183 -5.491 251 HH21 ARG 29 HH22 ARG 29 18.151 -5.533 -2.368 252 HH22 ARG 29 HH21 ARG 29 18.742 -4.772 -3.809 253 H LYS 30 HN LYS 30 10.811 -7.921 -4.288 254 HA LYS 30 HA LYS 30 11.062 -5.749 -6.139 255 HB2 LYS 30 HB2 LYS 30 10.734 -7.174 -7.950 256 HB3 LYS 30 HB1 LYS 30 11.565 -8.149 -6.762 257 HG2 LYS 30 HG2 LYS 30 9.985 -9.697 -6.892 258 HG3 LYS 30 HG1 LYS 30 8.754 -8.524 -6.435 259 HD2 LYS 30 HD2 LYS 30 9.736 -8.978 -9.265 260 HD3 LYS 30 HD1 LYS 30 8.259 -9.654 -8.588 261 HE2 LYS 30 HE2 LYS 30 7.456 -7.334 -8.174 262 HE3 LYS 30 HE1 LYS 30 8.887 -6.728 -9.000 263 HZ1 LYS 30 HZ1 LYS 30 6.870 -6.850 -10.385 264 HZ2 LYS 30 HZ2 LYS 30 6.903 -8.537 -10.249 265 HZ3 LYS 30 HZ3 LYS 30 8.175 -7.720 -11.011 266 H TYR 31 HN TYR 31 8.235 -7.053 -4.546 267 HA TYR 31 HA TYR 31 6.453 -5.734 -6.434 268 HB2 TYR 31 HB2 TYR 31 5.879 -7.400 -3.986 269 HB3 TYR 31 HB1 TYR 31 4.632 -6.646 -4.964 270 HD1 TYR 31 HD1 TYR 31 4.503 -7.292 -7.439 271 HD2 TYR 31 HD2 TYR 31 6.737 -9.495 -4.585 272 HE1 TYR 31 HE1 TYR 31 4.500 -9.231 -8.949 273 HE2 TYR 31 HE2 TYR 31 6.749 -11.445 -6.081 274 HH TYR 31 HH TYR 31 5.310 -12.314 -7.987 275 H GLY 32 HN GLY 32 7.459 -5.293 -3.047 276 HA2 GLY 32 HA2 GLY 32 6.622 -2.491 -3.286 277 HA3 GLY 32 HA1 GLY 32 6.075 -3.419 -1.897 278 H ASN 33 HN ASN 33 7.621 -1.127 -1.539 279 HA ASN 33 HA ASN 33 10.363 -1.945 -1.139 280 HB2 ASN 33 HB2 ASN 33 8.837 0.562 -0.476 281 HB3 ASN 33 HB1 ASN 33 10.494 0.323 0.063 282 HD21 ASN 33 HD21 ASN 33 9.232 2.245 -1.825 283 HD22 ASN 33 HD22 ASN 33 10.146 2.092 -3.287 284 H ILE 34 HN ILE 34 10.665 -3.490 0.391 285 HA ILE 34 HA ILE 34 8.932 -3.609 2.685 286 HB ILE 34 HB ILE 34 9.326 -5.665 1.535 287 HG12 ILE 34 HG12 ILE 34 9.362 -5.489 4.208 288 HG13 ILE 34 HG11 ILE 34 9.440 -7.027 3.362 289 HG21 ILE 34 HG21 ILE 34 11.517 -6.746 1.398 290 HG22 ILE 34 HG22 ILE 34 12.254 -5.305 2.100 291 HG23 ILE 34 HG23 ILE 34 11.455 -5.209 0.532 292 HD11 ILE 34 HD11 ILE 34 11.808 -7.172 3.736 293 HD12 ILE 34 HD12 ILE 34 11.030 -6.801 5.273 294 HD13 ILE 34 HD13 ILE 34 11.862 -5.530 4.374 295 H LEU 35 HN LEU 35 9.327 -3.152 4.687 296 HA LEU 35 HA LEU 35 11.889 -1.924 5.380 297 HB2 LEU 35 HB2 LEU 35 9.063 -1.465 6.198 298 HB3 LEU 35 HB1 LEU 35 10.298 -1.171 7.403 299 HG LEU 35 HG LEU 35 11.352 0.506 5.949 300 HD11 LEU 35 HD11 LEU 35 9.085 -0.014 4.034 301 HD12 LEU 35 HD12 LEU 35 10.791 -0.369 3.753 302 HD13 LEU 35 HD13 LEU 35 10.254 1.302 3.922 303 HD21 LEU 35 HD21 LEU 35 8.403 0.895 6.378 304 HD22 LEU 35 HD22 LEU 35 9.542 2.185 5.988 305 HD23 LEU 35 HD23 LEU 35 9.708 1.288 7.495 306 H LYS 36 HN LYS 36 9.547 -4.343 6.484 307 HA LYS 36 HA LYS 36 11.595 -5.645 8.099 308 HB2 LYS 36 HB2 LYS 36 10.575 -4.035 9.636 309 HB3 LYS 36 HB1 LYS 36 8.976 -4.622 9.242 310 HG2 LYS 36 HG2 LYS 36 10.912 -6.548 10.422 311 HG3 LYS 36 HG1 LYS 36 10.237 -5.304 11.471 312 HD2 LYS 36 HD2 LYS 36 8.033 -6.337 10.084 313 HD3 LYS 36 HD1 LYS 36 9.021 -7.743 10.467 314 HE2 LYS 36 HE2 LYS 36 7.469 -7.414 12.255 315 HE3 LYS 36 HE1 LYS 36 9.073 -6.966 12.841 316 HZ1 LYS 36 HZ1 LYS 36 7.024 -5.041 11.858 317 HZ2 LYS 36 HZ2 LYS 36 8.530 -4.657 12.531 318 HZ3 LYS 36 HZ3 LYS 36 7.342 -5.381 13.487 319 H CYS 37 HN CYS 37 11.450 -7.859 7.793 320 HA CYS 37 HA CYS 37 8.764 -8.951 7.237 321 HB2 CYS 37 HB2 CYS 37 11.380 -9.574 5.967 322 HB3 CYS 37 HB1 CYS 37 10.276 -10.921 6.243 323 HG CYS 37 HG CYS 37 10.080 -9.911 3.587 324 H ASP 38 HN ASP 38 7.977 -10.309 8.707 325 HA ASP 38 HA ASP 38 9.885 -11.664 10.482 326 HB2 ASP 38 HB2 ASP 38 8.999 -9.754 11.694 327 HB3 ASP 38 HB1 ASP 38 7.355 -10.235 11.296 328 H VAL 39 HN VAL 39 9.503 -13.805 10.820 329 HA VAL 39 HA VAL 39 6.935 -14.832 9.874 330 HB VAL 39 HB VAL 39 8.536 -15.441 8.208 331 HG11 VAL 39 HG11 VAL 39 10.528 -16.798 8.645 332 HG12 VAL 39 HG12 VAL 39 10.226 -16.673 10.379 333 HG13 VAL 39 HG13 VAL 39 10.605 -15.227 9.444 334 HG21 VAL 39 HG21 VAL 39 8.376 -17.855 8.162 335 HG22 VAL 39 HG22 VAL 39 6.871 -17.148 8.761 336 HG23 VAL 39 HG23 VAL 39 8.013 -17.882 9.887 337 H LYS 40 HN LYS 40 5.726 -15.782 11.336 338 HA LYS 40 HA LYS 40 6.934 -16.707 13.874 339 HB2 LYS 40 HB2 LYS 40 4.121 -15.763 13.253 340 HB3 LYS 40 HB1 LYS 40 4.622 -16.409 14.804 341 HG2 LYS 40 HG2 LYS 40 5.821 -13.946 13.555 342 HG3 LYS 40 HG1 LYS 40 4.461 -13.918 14.676 343 HD2 LYS 40 HD2 LYS 40 5.925 -15.103 16.338 344 HD3 LYS 40 HD1 LYS 40 7.273 -14.870 15.221 345 HE2 LYS 40 HE2 LYS 40 6.915 -12.442 15.311 346 HE3 LYS 40 HE1 LYS 40 5.587 -12.686 16.447 347 HZ1 LYS 40 HZ1 LYS 40 7.113 -13.567 18.047 348 HZ2 LYS 40 HZ2 LYS 40 7.693 -12.071 17.514 349 HZ3 LYS 40 HZ3 LYS 40 8.393 -13.496 16.945 350 H LYS 41 HN LYS 41 6.006 -18.657 14.865 351 HA LYS 41 HA LYS 41 4.342 -20.274 13.087 352 HB2 LYS 41 HB2 LYS 41 5.607 -22.236 13.259 353 HB3 LYS 41 HB1 LYS 41 6.804 -20.988 12.984 354 HG2 LYS 41 HG2 LYS 41 6.165 -22.139 15.698 355 HG3 LYS 41 HG1 LYS 41 7.439 -22.747 14.652 356 HD2 LYS 41 HD2 LYS 41 7.297 -19.945 15.790 357 HD3 LYS 41 HD1 LYS 41 8.280 -21.259 16.436 358 HE2 LYS 41 HE2 LYS 41 9.356 -21.366 14.125 359 HE3 LYS 41 HE1 LYS 41 8.573 -19.819 13.809 360 HZ1 LYS 41 HZ1 LYS 41 10.807 -19.466 14.584 361 HZ2 LYS 41 HZ2 LYS 41 10.525 -20.394 15.970 362 HZ3 LYS 41 HZ3 LYS 41 9.723 -18.921 15.764 363 H THR 42 HN THR 42 2.880 -21.708 14.096 364 HA THR 42 HA THR 42 2.579 -21.288 16.988 365 HB THR 42 HB THR 42 0.566 -20.780 15.630 366 HG1 THR 42 HG1 THR 42 -0.590 -21.432 17.255 367 HG21 THR 42 HG21 THR 42 0.566 -23.716 14.948 368 HG22 THR 42 HG22 THR 42 0.845 -22.381 13.829 369 HG23 THR 42 HG23 THR 42 -0.733 -22.574 14.595 370 H VAL 43 HN VAL 43 1.776 -23.229 18.216 371 HA VAL 43 HA VAL 43 3.642 -25.398 17.984 372 HB VAL 43 HB VAL 43 1.301 -25.200 19.912 373 HG11 VAL 43 HG11 VAL 43 3.969 -26.579 20.178 374 HG12 VAL 43 HG12 VAL 43 2.409 -27.363 19.927 375 HG13 VAL 43 HG13 VAL 43 2.727 -26.489 21.426 376 HG21 VAL 43 HG21 VAL 43 2.822 -24.077 21.488 377 HG22 VAL 43 HG22 VAL 43 2.535 -23.109 20.042 378 HG23 VAL 43 HG23 VAL 43 4.051 -23.991 20.225 379 H SER 44 HN SER 44 0.544 -24.812 16.709 380 HA SER 44 HA SER 44 -0.446 -27.502 16.590 381 HB2 SER 44 HB2 SER 44 -1.869 -25.429 16.574 382 HB3 SER 44 HB1 SER 44 -1.290 -25.103 14.942 383 HG SER 44 HG SER 44 -2.772 -27.362 15.811 384 H GLY 45 HN GLY 45 1.930 -25.816 14.838 385 HA2 GLY 45 HA2 GLY 45 3.355 -27.061 13.366 386 HA3 GLY 45 HA1 GLY 45 1.951 -27.970 12.839 387 H ALA 46 HN ALA 46 0.850 -24.936 12.926 388 HA ALA 46 HA ALA 46 1.280 -24.526 10.081 389 HB1 ALA 46 HB1 ALA 46 -0.457 -22.991 12.008 390 HB2 ALA 46 HB2 ALA 46 -0.989 -24.324 10.985 391 HB3 ALA 46 HB3 ALA 46 -0.441 -22.811 10.258 392 H ALA 47 HN ALA 47 1.974 -22.533 9.212 393 HA ALA 47 HA ALA 47 3.722 -20.968 10.969 394 HB1 ALA 47 HB1 ALA 47 5.401 -20.892 9.197 395 HB2 ALA 47 HB2 ALA 47 4.388 -21.929 8.192 396 HB3 ALA 47 HB3 ALA 47 5.073 -22.554 9.693 397 H PHE 48 HN PHE 48 4.083 -18.792 10.317 398 HA PHE 48 HA PHE 48 1.993 -17.713 8.543 399 HB2 PHE 48 HB2 PHE 48 2.660 -16.380 11.159 400 HB3 PHE 48 HB1 PHE 48 1.246 -16.144 10.149 401 HD1 PHE 48 HD2 PHE 48 -0.519 -17.984 10.117 402 HD2 PHE 48 HD1 PHE 48 2.633 -17.827 12.964 403 HE1 PHE 48 HE2 PHE 48 -1.782 -19.486 11.591 404 HE2 PHE 48 HE1 PHE 48 1.381 -19.317 14.441 405 HZ PHE 48 HZ PHE 48 -0.835 -20.155 13.762 406 H ALA 49 HN ALA 49 2.521 -15.714 7.616 407 HA ALA 49 HA ALA 49 5.169 -14.669 8.309 408 HB1 ALA 49 HB1 ALA 49 5.249 -15.803 6.121 409 HB2 ALA 49 HB2 ALA 49 5.569 -14.070 5.990 410 HB3 ALA 49 HB3 ALA 49 3.996 -14.711 5.533 411 H PHE 50 HN PHE 50 5.328 -12.568 8.657 412 HA PHE 50 HA PHE 50 3.014 -10.829 8.125 413 HB2 PHE 50 HB2 PHE 50 4.608 -11.232 10.498 414 HB3 PHE 50 HB1 PHE 50 4.833 -9.586 9.926 415 HD1 PHE 50 HD1 PHE 50 2.096 -9.066 8.831 416 HD2 PHE 50 HD2 PHE 50 3.386 -10.915 12.440 417 HE1 PHE 50 HE1 PHE 50 0.001 -8.388 9.922 418 HE2 PHE 50 HE2 PHE 50 1.292 -10.240 13.538 419 HZ PHE 50 HZ PHE 50 -0.403 -8.974 12.279 420 H ILE 51 HN ILE 51 3.358 -9.454 6.485 421 HA ILE 51 HA ILE 51 6.212 -8.913 5.833 422 HB ILE 51 HB ILE 51 3.910 -8.833 3.871 423 HG12 ILE 51 HG12 ILE 51 5.863 -10.990 3.615 424 HG13 ILE 51 HG11 ILE 51 4.914 -11.104 5.089 425 HG21 ILE 51 HG21 ILE 51 5.707 -8.939 2.193 426 HG22 ILE 51 HG22 ILE 51 6.903 -8.916 3.487 427 HG23 ILE 51 HG23 ILE 51 5.866 -7.514 3.223 428 HD11 ILE 51 HD11 ILE 51 3.642 -10.777 2.400 429 HD12 ILE 51 HD12 ILE 51 2.939 -11.382 3.904 430 HD13 ILE 51 HD13 ILE 51 4.121 -12.351 3.032 431 H GLU 52 HN GLU 52 6.800 -6.893 6.375 432 HA GLU 52 HA GLU 52 4.714 -4.809 6.447 433 HB2 GLU 52 HB2 GLU 52 5.649 -5.486 8.614 434 HB3 GLU 52 HB1 GLU 52 7.255 -5.070 8.046 435 HG2 GLU 52 HG2 GLU 52 6.532 -2.713 7.845 436 HG3 GLU 52 HG1 GLU 52 4.964 -3.181 8.513 437 H PHE 53 HN PHE 53 4.824 -3.656 4.699 438 HA PHE 53 HA PHE 53 7.418 -2.637 3.768 439 HB2 PHE 53 HB2 PHE 53 6.079 -2.376 1.504 440 HB3 PHE 53 HB1 PHE 53 6.879 -3.883 1.937 441 HD1 PHE 53 HD1 PHE 53 3.596 -2.201 2.488 442 HD2 PHE 53 HD2 PHE 53 5.729 -5.770 1.649 443 HE1 PHE 53 HE1 PHE 53 1.484 -3.418 2.296 444 HE2 PHE 53 HE2 PHE 53 3.625 -6.980 1.451 445 HZ PHE 53 HZ PHE 53 1.498 -5.797 1.759 446 H GLU 54 HN GLU 54 7.271 -0.634 2.438 447 HA GLU 54 HA GLU 54 5.614 1.386 3.624 448 HB2 GLU 54 HB2 GLU 54 7.950 1.777 2.835 449 HB3 GLU 54 HB1 GLU 54 7.385 1.557 1.187 450 HG2 GLU 54 HG2 GLU 54 6.083 3.525 1.258 451 HG3 GLU 54 HG1 GLU 54 6.254 3.664 3.005 452 H ASP 55 HN ASP 55 5.499 -0.535 0.600 453 HA ASP 55 HA ASP 55 3.193 1.129 -0.221 454 HB2 ASP 55 HB2 ASP 55 5.059 -0.447 -2.016 455 HB3 ASP 55 HB1 ASP 55 3.736 0.586 -2.544 456 H ALA 56 HN ALA 56 1.369 0.209 -0.142 457 HA ALA 56 HA ALA 56 1.070 -2.614 0.358 458 HB1 ALA 56 HB1 ALA 56 -0.627 -0.203 0.636 459 HB2 ALA 56 HB2 ALA 56 -0.186 -1.423 1.830 460 HB3 ALA 56 HB3 ALA 56 -1.398 -1.788 0.580 461 H ARG 57 HN ARG 57 -0.049 -0.372 -2.201 462 HA ARG 57 HA ARG 57 -1.956 -2.261 -3.219 463 HB2 ARG 57 HB2 ARG 57 -2.372 0.160 -3.264 464 HB3 ARG 57 HB1 ARG 57 -1.022 0.383 -4.361 465 HG2 ARG 57 HG2 ARG 57 -2.897 -1.542 -5.420 466 HG3 ARG 57 HG1 ARG 57 -3.698 -0.021 -5.027 467 HD2 ARG 57 HD2 ARG 57 -1.130 -0.043 -6.567 468 HD3 ARG 57 HD1 ARG 57 -2.660 -0.340 -7.382 469 HE ARG 57 HE ARG 57 -3.316 1.899 -6.307 470 HH11 ARG 57 HH11 ARG 57 -0.059 1.153 -7.480 471 HH12 ARG 57 HH12 ARG 57 0.311 2.808 -7.832 472 HH21 ARG 57 HH21 ARG 57 -2.820 4.042 -6.821 473 HH22 ARG 57 HH22 ARG 57 -1.261 4.453 -7.459 474 H ASP 58 HN ASP 58 1.301 -1.379 -4.038 475 HA ASP 58 HA ASP 58 1.318 -2.801 -6.525 476 HB2 ASP 58 HB2 ASP 58 3.482 -1.530 -4.860 477 HB3 ASP 58 HB1 ASP 58 3.813 -2.378 -6.370 478 H ALA 59 HN ALA 59 1.967 -3.578 -3.230 479 HA ALA 59 HA ALA 59 3.235 -6.105 -3.583 480 HB1 ALA 59 HB1 ALA 59 1.699 -5.030 -1.235 481 HB2 ALA 59 HB2 ALA 59 3.434 -4.853 -1.504 482 HB3 ALA 59 HB3 ALA 59 2.741 -6.450 -1.212 483 H ALA 60 HN ALA 60 -0.032 -5.018 -3.607 484 HA ALA 60 HA ALA 60 -1.514 -7.332 -3.255 485 HB1 ALA 60 HB1 ALA 60 -2.511 -5.104 -3.419 486 HB2 ALA 60 HB2 ALA 60 -3.291 -6.257 -4.501 487 HB3 ALA 60 HB3 ALA 60 -2.155 -5.072 -5.147 488 H ASP 61 HN ASP 61 0.500 -6.541 -6.032 489 HA ASP 61 HA ASP 61 -0.606 -8.390 -7.878 490 HB2 ASP 61 HB2 ASP 61 1.354 -6.511 -8.028 491 HB3 ASP 61 HB1 ASP 61 2.321 -7.993 -7.965 492 H ALA 62 HN ALA 62 1.983 -8.640 -5.498 493 HA ALA 62 HA ALA 62 2.595 -11.379 -5.763 494 HB1 ALA 62 HB1 ALA 62 3.397 -11.130 -3.358 495 HB2 ALA 62 HB2 ALA 62 2.913 -9.437 -3.495 496 HB3 ALA 62 HB3 ALA 62 4.152 -10.090 -4.569 497 H ILE 63 HN ILE 63 0.264 -9.646 -3.683 498 HA ILE 63 HA ILE 63 -0.626 -12.021 -2.423 499 HB ILE 63 HB ILE 63 -0.974 -9.426 -1.802 500 HG12 ILE 63 HG12 ILE 63 -1.193 -11.516 -0.375 501 HG13 ILE 63 HG11 ILE 63 -2.212 -10.175 0.085 502 HG21 ILE 63 HG21 ILE 63 -3.200 -8.664 -1.964 503 HG22 ILE 63 HG22 ILE 63 -3.770 -10.206 -2.597 504 HG23 ILE 63 HG23 ILE 63 -2.740 -9.172 -3.589 505 HD11 ILE 63 HD11 ILE 63 -3.208 -12.464 -1.573 506 HD12 ILE 63 HD12 ILE 63 -4.154 -11.221 -0.748 507 HD13 ILE 63 HD13 ILE 63 -3.274 -12.431 0.189 508 H LYS 64 HN LYS 64 -1.604 -10.513 -5.488 509 HA LYS 64 HA LYS 64 -3.827 -12.311 -5.754 510 HB2 LYS 64 HB2 LYS 64 -4.344 -11.326 -7.853 511 HB3 LYS 64 HB1 LYS 64 -3.953 -10.053 -6.713 512 HG2 LYS 64 HG2 LYS 64 -2.836 -9.267 -8.513 513 HG3 LYS 64 HG1 LYS 64 -1.567 -10.285 -7.837 514 HD2 LYS 64 HD2 LYS 64 -2.299 -12.113 -9.376 515 HD3 LYS 64 HD1 LYS 64 -3.417 -10.967 -10.121 516 HE2 LYS 64 HE2 LYS 64 -0.445 -10.527 -9.929 517 HE3 LYS 64 HE1 LYS 64 -1.227 -11.287 -11.312 518 HZ1 LYS 64 HZ1 LYS 64 -2.504 -9.265 -11.642 519 HZ2 LYS 64 HZ2 LYS 64 -0.841 -8.943 -11.677 520 HZ3 LYS 64 HZ3 LYS 64 -1.748 -8.550 -10.308 521 H GLU 65 HN GLU 65 -0.425 -12.499 -6.608 522 HA GLU 65 HA GLU 65 -1.051 -14.875 -8.171 523 HB2 GLU 65 HB2 GLU 65 1.309 -15.269 -8.477 524 HB3 GLU 65 HB1 GLU 65 0.896 -13.615 -8.881 525 HG2 GLU 65 HG2 GLU 65 1.870 -12.806 -6.898 526 HG3 GLU 65 HG1 GLU 65 2.108 -14.429 -6.262 527 H LYS 66 HN LYS 66 -0.443 -14.195 -4.824 528 HA LYS 66 HA LYS 66 -0.341 -17.100 -4.303 529 HB2 LYS 66 HB2 LYS 66 -0.290 -14.961 -2.177 530 HB3 LYS 66 HB1 LYS 66 0.242 -16.624 -2.050 531 HG2 LYS 66 HG2 LYS 66 1.619 -14.463 -3.647 532 HG3 LYS 66 HG1 LYS 66 2.106 -15.036 -2.059 533 HD2 LYS 66 HD2 LYS 66 2.672 -17.204 -2.955 534 HD3 LYS 66 HD1 LYS 66 2.026 -16.762 -4.542 535 HE2 LYS 66 HE2 LYS 66 3.711 -14.944 -4.677 536 HE3 LYS 66 HE1 LYS 66 4.383 -15.484 -3.143 537 HZ1 LYS 66 HZ1 LYS 66 5.619 -16.275 -5.093 538 HZ2 LYS 66 HZ2 LYS 66 4.257 -17.144 -5.602 539 HZ3 LYS 66 HZ3 LYS 66 5.025 -17.546 -4.148 540 H ASP 67 HN ASP 67 -2.674 -15.339 -5.209 541 HA ASP 67 HA ASP 67 -4.752 -15.338 -3.262 542 HB2 ASP 67 HB2 ASP 67 -4.939 -13.633 -4.767 543 HB3 ASP 67 HB1 ASP 67 -4.521 -14.622 -6.150 544 H GLY 68 HN GLY 68 -6.880 -16.400 -3.426 545 HA2 GLY 68 HA2 GLY 68 -8.076 -18.390 -4.138 546 HA3 GLY 68 HA1 GLY 68 -6.526 -19.149 -4.418 547 H CYS 69 HN CYS 69 -7.200 -17.303 -1.504 548 HA CYS 69 HA CYS 69 -5.904 -19.177 0.102 549 HB2 CYS 69 HB2 CYS 69 -6.774 -17.773 1.996 550 HB3 CYS 69 HB1 CYS 69 -5.988 -16.860 0.716 551 HG CYS 69 HG CYS 69 -9.383 -17.198 0.787 552 H ASP 70 HN ASP 70 -6.460 -20.757 1.437 553 HA ASP 70 HA ASP 70 -9.219 -21.697 1.430 554 HB2 ASP 70 HB2 ASP 70 -7.183 -22.674 -0.211 555 HB3 ASP 70 HB1 ASP 70 -7.366 -23.877 1.062 556 H PHE 71 HN PHE 71 -9.759 -23.264 2.886 557 HA PHE 71 HA PHE 71 -8.197 -23.654 5.296 558 HB2 PHE 71 HB2 PHE 71 -9.851 -22.722 6.810 559 HB3 PHE 71 HB1 PHE 71 -9.300 -21.474 5.703 560 HD1 PHE 71 HD2 PHE 71 -10.815 -20.746 3.849 561 HD2 PHE 71 HD1 PHE 71 -12.120 -23.328 6.972 562 HE1 PHE 71 HE2 PHE 71 -13.151 -20.210 3.313 563 HE2 PHE 71 HE1 PHE 71 -14.463 -22.788 6.443 564 HZ PHE 71 HZ PHE 71 -14.980 -21.224 4.612 565 H GLU 72 HN GLU 72 -8.965 -25.387 6.628 566 HA GLU 72 HA GLU 72 -10.091 -27.231 7.288 567 HB2 GLU 72 HB2 GLU 72 -12.148 -25.645 6.551 568 HB3 GLU 72 HB1 GLU 72 -12.388 -26.987 5.448 569 HG2 GLU 72 HG2 GLU 72 -12.476 -28.545 7.344 570 HG3 GLU 72 HG1 GLU 72 -12.232 -27.201 8.454 571 H GLY 73 HN GLY 73 -8.219 -28.015 6.044 572 HA2 GLY 73 HA2 GLY 73 -7.632 -30.159 5.227 573 HA3 GLY 73 HA1 GLY 73 -9.106 -30.175 4.277 574 H ASN 74 HN ASN 74 -8.311 -27.281 3.426 575 HA ASN 74 HA ASN 74 -5.816 -27.918 2.006 576 HB2 ASN 74 HB2 ASN 74 -8.052 -26.039 1.196 577 HB3 ASN 74 HB1 ASN 74 -6.452 -25.993 0.466 578 HD21 ASN 74 HD21 ASN 74 -5.851 -27.561 -0.969 579 HD22 ASN 74 HD22 ASN 74 -6.956 -28.719 -1.612 580 H LYS 75 HN LYS 75 -4.125 -26.870 2.806 581 HA LYS 75 HA LYS 75 -4.591 -24.631 4.623 582 HB2 LYS 75 HB2 LYS 75 -2.399 -26.620 4.261 583 HB3 LYS 75 HB1 LYS 75 -1.974 -25.043 4.901 584 HG2 LYS 75 HG2 LYS 75 -2.305 -26.362 6.787 585 HG3 LYS 75 HG1 LYS 75 -3.793 -25.435 6.640 586 HD2 LYS 75 HD2 LYS 75 -4.061 -27.884 5.175 587 HD3 LYS 75 HD1 LYS 75 -3.502 -28.238 6.811 588 HE2 LYS 75 HE2 LYS 75 -5.885 -26.513 6.143 589 HE3 LYS 75 HE1 LYS 75 -5.980 -28.215 6.588 590 HZ1 LYS 75 HZ1 LYS 75 -4.888 -26.046 8.297 591 HZ2 LYS 75 HZ2 LYS 75 -5.012 -27.675 8.727 592 HZ3 LYS 75 HZ3 LYS 75 -6.410 -26.763 8.472 593 H LEU 76 HN LEU 76 -4.785 -22.712 3.416 594 HA LEU 76 HA LEU 76 -2.328 -21.739 2.218 595 HB2 LEU 76 HB2 LEU 76 -3.186 -23.061 0.357 596 HB3 LEU 76 HB1 LEU 76 -4.746 -22.294 0.479 597 HG LEU 76 HG LEU 76 -3.616 -20.145 -0.249 598 HD11 LEU 76 HD11 LEU 76 -1.316 -20.710 0.223 599 HD12 LEU 76 HD12 LEU 76 -1.539 -20.337 -1.485 600 HD13 LEU 76 HD13 LEU 76 -1.374 -22.012 -0.966 601 HD21 LEU 76 HD21 LEU 76 -3.767 -22.530 -2.067 602 HD22 LEU 76 HD22 LEU 76 -3.543 -20.876 -2.639 603 HD23 LEU 76 HD23 LEU 76 -5.008 -21.316 -1.757 604 H ARG 77 HN ARG 77 -2.979 -20.204 4.211 605 HA ARG 77 HA ARG 77 -5.117 -18.390 3.306 606 HB2 ARG 77 HB2 ARG 77 -5.357 -19.182 5.594 607 HB3 ARG 77 HB1 ARG 77 -3.743 -18.618 5.985 608 HG2 ARG 77 HG2 ARG 77 -5.278 -17.073 6.926 609 HG3 ARG 77 HG1 ARG 77 -4.540 -16.280 5.533 610 HD2 ARG 77 HD2 ARG 77 -6.481 -16.627 4.202 611 HD3 ARG 77 HD1 ARG 77 -7.189 -17.709 5.398 612 HE ARG 77 HE ARG 77 -7.049 -14.781 5.531 613 HH11 ARG 77 HH12 ARG 77 -8.068 -17.757 7.079 614 HH12 ARG 77 HH11 ARG 77 -9.119 -16.971 8.197 615 HH21 ARG 77 HH22 ARG 77 -8.455 -13.742 7.005 616 HH22 ARG 77 HH21 ARG 77 -9.345 -14.693 8.160 617 H VAL 78 HN VAL 78 -4.378 -16.805 2.003 618 HA VAL 78 HA VAL 78 -2.129 -15.201 3.038 619 HB VAL 78 HB VAL 78 -2.702 -15.384 0.069 620 HG11 VAL 78 HG11 VAL 78 -0.493 -14.439 -0.165 621 HG12 VAL 78 HG12 VAL 78 -0.217 -14.570 1.564 622 HG13 VAL 78 HG13 VAL 78 -1.436 -13.455 0.952 623 HG21 VAL 78 HG21 VAL 78 -0.602 -17.015 1.513 624 HG22 VAL 78 HG22 VAL 78 -0.860 -16.940 -0.229 625 HG23 VAL 78 HG23 VAL 78 -2.086 -17.660 0.812 626 H GLU 79 HN GLU 79 -2.926 -13.188 3.617 627 HA GLU 79 HA GLU 79 -4.758 -11.943 1.767 628 HB2 GLU 79 HB2 GLU 79 -6.438 -11.319 3.407 629 HB3 GLU 79 HB1 GLU 79 -6.323 -13.058 3.224 630 HG2 GLU 79 HG2 GLU 79 -5.309 -13.319 5.331 631 HG3 GLU 79 HG1 GLU 79 -4.975 -11.592 5.475 632 H VAL 80 HN VAL 80 -4.643 -9.868 1.559 633 HA VAL 80 HA VAL 80 -3.038 -8.322 3.402 634 HB VAL 80 HB VAL 80 -3.566 -6.352 1.962 635 HG11 VAL 80 HG11 VAL 80 -1.754 -6.773 0.738 636 HG12 VAL 80 HG12 VAL 80 -2.477 -8.189 -0.001 637 HG13 VAL 80 HG13 VAL 80 -1.727 -8.321 1.585 638 HG21 VAL 80 HG21 VAL 80 -5.656 -7.045 0.975 639 HG22 VAL 80 HG22 VAL 80 -4.850 -8.371 0.139 640 HG23 VAL 80 HG23 VAL 80 -4.467 -6.701 -0.282 641 HA PRO 81 HA PRO 81 -6.750 -6.699 5.403 642 HB2 PRO 81 HB2 PRO 81 -5.468 -5.099 7.188 643 HB3 PRO 81 HB1 PRO 81 -5.617 -6.853 7.412 644 HG2 PRO 81 HG2 PRO 81 -3.281 -5.255 6.566 645 HG3 PRO 81 HG1 PRO 81 -3.350 -6.764 7.491 646 HD2 PRO 81 HD2 PRO 81 -2.736 -6.538 4.782 647 HD3 PRO 81 HD1 PRO 81 -3.187 -8.031 5.627 648 H PHE 82 HN PHE 82 -5.169 -5.481 2.986 649 HA PHE 82 HA PHE 82 -5.873 -2.660 3.385 650 HB2 PHE 82 HB2 PHE 82 -4.333 -3.728 1.020 651 HB3 PHE 82 HB1 PHE 82 -4.431 -2.075 1.598 652 HD1 PHE 82 HD2 PHE 82 -3.656 -1.932 4.219 653 HD2 PHE 82 HD1 PHE 82 -2.366 -4.703 1.276 654 HE1 PHE 82 HE2 PHE 82 -1.572 -2.274 5.460 655 HE2 PHE 82 HE1 PHE 82 -0.292 -5.058 2.513 656 HZ PHE 82 HZ PHE 82 0.113 -3.835 4.599 657 H ASN 83 HN ASN 83 -8.081 -3.467 3.240 658 HA ASN 83 HA ASN 83 -8.996 -3.917 0.492 659 HB2 ASN 83 HB2 ASN 83 -10.436 -4.124 3.159 660 HB3 ASN 83 HB1 ASN 83 -11.202 -4.405 1.597 661 HD21 ASN 83 HD21 ASN 83 -10.724 -6.175 3.926 662 HD22 ASN 83 HD22 ASN 83 -9.895 -7.549 3.287 663 H ALA 84 HN ALA 84 -7.898 -1.472 1.007 664 HA ALA 84 HA ALA 84 -9.906 0.469 0.410 665 HB1 ALA 84 HB1 ALA 84 -9.640 1.834 2.438 666 HB2 ALA 84 HB2 ALA 84 -8.590 0.598 3.131 667 HB3 ALA 84 HB3 ALA 84 -10.292 0.241 2.844 668 H ARG 85 HN ARG 85 -7.516 -0.373 -0.847 669 HA ARG 85 HA ARG 85 -5.708 1.920 -0.448 670 HB2 ARG 85 HB2 ARG 85 -5.072 -0.296 0.736 671 HB3 ARG 85 HB1 ARG 85 -4.644 -0.861 -0.864 672 HG2 ARG 85 HG2 ARG 85 -2.646 -0.123 0.097 673 HG3 ARG 85 HG1 ARG 85 -3.113 1.136 -1.025 674 HD2 ARG 85 HD2 ARG 85 -3.738 2.588 0.716 675 HD3 ARG 85 HD1 ARG 85 -3.851 1.276 1.893 676 HE ARG 85 HE ARG 85 -1.490 1.215 2.014 677 HH11 ARG 85 HH11 ARG 85 -2.616 3.911 0.055 678 HH12 ARG 85 HH12 ARG 85 -1.114 4.765 0.154 679 HH21 ARG 85 HH21 ARG 85 0.496 2.332 2.114 680 HH22 ARG 85 HH22 ARG 85 0.659 3.868 1.324 681 H GLU 86 HN GLU 86 -7.606 0.387 -2.623 682 HA GLU 86 HA GLU 86 -5.820 0.226 -4.867 683 HB2 GLU 86 HB2 GLU 86 -8.834 0.027 -4.755 684 HB3 GLU 86 HB1 GLU 86 -7.870 -0.249 -6.195 685 HG2 GLU 86 HG2 GLU 86 -6.715 -1.941 -4.357 686 HG3 GLU 86 HG1 GLU 86 -8.427 -2.016 -3.947 Start of MODEL 19 1 H1 GLY -2 HT1 GLY -2 -24.524 8.843 2.965 2 H2 GLY -2 HT2 GLY -2 -23.457 9.867 2.147 3 H3 GLY -2 HT3 GLY -2 -24.046 10.305 3.671 4 HA2 GLY -2 HA1 GLY -2 -22.884 8.432 4.682 5 HA3 GLY -2 HA2 GLY -2 -22.260 8.003 3.096 6 H SER -1 HN SER -1 -20.555 8.517 5.235 7 HA SER -1 HA SER -1 -19.421 11.160 4.576 8 HB2 SER -1 HB2 SER -1 -20.406 10.808 6.923 9 HB3 SER -1 HB1 SER -1 -19.060 9.710 7.212 10 HG SER -1 HG SER -1 -18.907 12.093 7.788 11 H HIS 0 HN HIS 0 -16.928 11.033 5.546 12 HA HIS 0 HA HIS 0 -15.686 8.607 4.418 13 HB2 HIS 0 HB2 HIS 0 -15.099 11.474 3.696 14 HB3 HIS 0 HB1 HIS 0 -13.860 10.234 3.536 15 HD1 HIS 0 HD1 HIS 0 -16.990 11.492 1.963 16 HD2 HIS 0 HD2 HIS 0 -14.339 8.332 1.501 17 HE1 HIS 0 HE1 HIS 0 -17.524 10.489 -0.269 18 HE2 HIS 0 HE2 HIS 0 -15.749 8.736 -0.623 19 H MET 1 HN MET 1 -13.538 8.148 5.186 20 HA MET 1 HA MET 1 -12.996 9.367 7.815 21 HB2 MET 1 HB2 MET 1 -12.411 6.542 6.871 22 HB3 MET 1 HB1 MET 1 -11.900 7.201 8.420 23 HG2 MET 1 HG2 MET 1 -13.793 6.127 9.081 24 HG3 MET 1 HG1 MET 1 -14.494 7.686 8.662 25 HE1 MET 1 HE1 MET 1 -15.159 3.669 6.581 26 HE2 MET 1 HE2 MET 1 -14.929 3.952 8.304 27 HE3 MET 1 HE3 MET 1 -13.575 4.160 7.190 28 H VAL 2 HN VAL 2 -10.922 9.970 8.354 29 HA VAL 2 HA VAL 2 -8.923 9.909 6.169 30 HB VAL 2 HB VAL 2 -9.295 12.125 8.221 31 HG11 VAL 2 HG11 VAL 2 -7.709 13.402 6.866 32 HG12 VAL 2 HG12 VAL 2 -7.497 12.013 5.800 33 HG13 VAL 2 HG13 VAL 2 -6.981 11.920 7.483 34 HG21 VAL 2 HG21 VAL 2 -11.145 12.123 6.628 35 HG22 VAL 2 HG22 VAL 2 -10.001 12.140 5.285 36 HG23 VAL 2 HG23 VAL 2 -10.097 13.521 6.379 37 H ILE 3 HN ILE 3 -6.986 8.980 6.695 38 HA ILE 3 HA ILE 3 -6.351 8.693 9.560 39 HB ILE 3 HB ILE 3 -4.977 6.699 8.958 40 HG12 ILE 3 HG12 ILE 3 -6.112 5.710 6.648 41 HG13 ILE 3 HG11 ILE 3 -5.845 7.404 6.251 42 HG21 ILE 3 HG21 ILE 3 -6.859 5.141 8.732 43 HG22 ILE 3 HG22 ILE 3 -7.916 6.498 8.342 44 HG23 ILE 3 HG23 ILE 3 -7.160 6.399 9.932 45 HD11 ILE 3 HD11 ILE 3 -3.957 6.054 5.569 46 HD12 ILE 3 HD12 ILE 3 -3.764 5.458 7.217 47 HD13 ILE 3 HD13 ILE 3 -3.486 7.161 6.859 48 H ARG 4 HN ARG 4 -3.989 8.501 10.044 49 HA ARG 4 HA ARG 4 -2.124 9.494 8.106 50 HB2 ARG 4 HB2 ARG 4 -1.374 11.400 9.627 51 HB3 ARG 4 HB1 ARG 4 -2.861 11.658 8.727 52 HG2 ARG 4 HG2 ARG 4 -4.135 11.030 10.787 53 HG3 ARG 4 HG1 ARG 4 -2.600 10.972 11.656 54 HD2 ARG 4 HD2 ARG 4 -2.204 13.296 11.227 55 HD3 ARG 4 HD1 ARG 4 -3.605 13.383 10.163 56 HE ARG 4 HE ARG 4 -4.308 12.561 12.814 57 HH11 ARG 4 HH11 ARG 4 -3.632 15.372 10.803 58 HH12 ARG 4 HH12 ARG 4 -4.554 16.458 11.782 59 HH21 ARG 4 HH21 ARG 4 -5.533 14.014 14.104 60 HH22 ARG 4 HH22 ARG 4 -5.636 15.680 13.662 61 H GLU 5 HN GLU 5 -0.090 8.854 8.534 62 HA GLU 5 HA GLU 5 1.721 7.902 9.449 63 HB2 GLU 5 HB2 GLU 5 1.364 9.766 11.105 64 HB3 GLU 5 HB1 GLU 5 0.558 8.605 12.141 65 HG2 GLU 5 HG2 GLU 5 2.563 7.332 12.401 66 HG3 GLU 5 HG1 GLU 5 3.413 8.332 11.222 67 H SER 6 HN SER 6 1.389 5.811 8.772 68 HA SER 6 HA SER 6 0.818 3.837 10.800 69 HB2 SER 6 HB2 SER 6 -1.454 4.519 9.886 70 HB3 SER 6 HB1 SER 6 -0.940 3.873 8.330 71 HG SER 6 HG SER 6 -2.143 2.495 10.024 72 H VAL 7 HN VAL 7 1.408 1.670 10.115 73 HA VAL 7 HA VAL 7 3.096 1.607 7.695 74 HB VAL 7 HB VAL 7 4.233 -0.403 8.739 75 HG11 VAL 7 HG11 VAL 7 5.653 0.934 10.232 76 HG12 VAL 7 HG12 VAL 7 4.449 2.223 10.206 77 HG13 VAL 7 HG13 VAL 7 5.297 1.781 8.725 78 HG21 VAL 7 HG21 VAL 7 4.086 -0.704 11.156 79 HG22 VAL 7 HG22 VAL 7 2.515 -0.964 10.400 80 HG23 VAL 7 HG23 VAL 7 2.842 0.544 11.248 81 H SER 8 HN SER 8 2.812 0.027 6.144 82 HA SER 8 HA SER 8 0.259 -1.350 6.274 83 HB2 SER 8 HB2 SER 8 0.338 -1.512 3.956 84 HB3 SER 8 HB1 SER 8 1.266 -0.045 4.232 85 HG SER 8 HG SER 8 3.049 -1.030 3.592 86 H ARG 9 HN ARG 9 -0.046 -3.606 6.295 87 HA ARG 9 HA ARG 9 2.406 -5.208 6.609 88 HB2 ARG 9 HB2 ARG 9 -0.006 -5.290 8.421 89 HB3 ARG 9 HB1 ARG 9 1.261 -6.507 8.424 90 HG2 ARG 9 HG2 ARG 9 2.270 -5.283 9.961 91 HG3 ARG 9 HG1 ARG 9 2.633 -4.126 8.682 92 HD2 ARG 9 HD2 ARG 9 1.652 -2.886 10.426 93 HD3 ARG 9 HD1 ARG 9 0.412 -3.058 9.191 94 HE ARG 9 HE ARG 9 -0.754 -4.543 10.593 95 HH11 ARG 9 HH12 ARG 9 2.181 -3.332 12.128 96 HH12 ARG 9 HH11 ARG 9 1.679 -3.786 13.723 97 HH21 ARG 9 HH22 ARG 9 -1.407 -5.137 12.721 98 HH22 ARG 9 HH21 ARG 9 -0.357 -4.815 14.062 99 H ILE 10 HN ILE 10 2.289 -7.394 6.058 100 HA ILE 10 HA ILE 10 -0.169 -8.310 4.722 101 HB ILE 10 HB ILE 10 2.671 -9.042 3.968 102 HG12 ILE 10 HG12 ILE 10 1.588 -8.117 1.680 103 HG13 ILE 10 HG11 ILE 10 0.725 -7.129 2.841 104 HG21 ILE 10 HG21 ILE 10 1.716 -10.347 2.143 105 HG22 ILE 10 HG22 ILE 10 0.094 -9.953 2.712 106 HG23 ILE 10 HG23 ILE 10 1.158 -10.943 3.709 107 HD11 ILE 10 HD11 ILE 10 2.661 -5.979 2.018 108 HD12 ILE 10 HD12 ILE 10 3.698 -7.302 2.544 109 HD13 ILE 10 HD13 ILE 10 2.839 -6.328 3.738 110 H TYR 11 HN TYR 11 -1.021 -10.160 5.430 111 HA TYR 11 HA TYR 11 0.476 -11.761 7.413 112 HB2 TYR 11 HB2 TYR 11 -1.608 -10.522 8.174 113 HB3 TYR 11 HB1 TYR 11 -2.524 -11.540 7.082 114 HD1 TYR 11 HD1 TYR 11 -2.679 -14.033 7.557 115 HD2 TYR 11 HD2 TYR 11 -0.975 -11.282 10.326 116 HE1 TYR 11 HE1 TYR 11 -2.981 -15.672 9.362 117 HE2 TYR 11 HE2 TYR 11 -1.271 -12.921 12.139 118 HH TYR 11 HH TYR 11 -2.100 -16.192 11.534 119 H VAL 12 HN VAL 12 1.200 -13.607 6.451 120 HA VAL 12 HA VAL 12 -0.724 -14.978 4.709 121 HB VAL 12 HB VAL 12 1.001 -14.103 3.268 122 HG11 VAL 12 HG11 VAL 12 3.324 -14.773 3.383 123 HG12 VAL 12 HG12 VAL 12 3.004 -15.642 4.883 124 HG13 VAL 12 HG13 VAL 12 2.835 -13.887 4.826 125 HG21 VAL 12 HG21 VAL 12 1.356 -17.059 3.577 126 HG22 VAL 12 HG22 VAL 12 1.694 -16.113 2.130 127 HG23 VAL 12 HG23 VAL 12 0.043 -16.269 2.730 128 H GLY 13 HN GLY 13 -1.531 -16.660 5.635 129 HA2 GLY 13 HA2 GLY 13 0.185 -18.318 7.364 130 HA3 GLY 13 HA1 GLY 13 -1.419 -17.826 7.866 131 H ASN 14 HN ASN 14 -0.389 -20.451 7.731 132 HA ASN 14 HA ASN 14 -1.053 -22.571 7.256 133 HB2 ASN 14 HB2 ASN 14 -3.530 -21.226 6.146 134 HB3 ASN 14 HB1 ASN 14 -3.392 -22.936 6.529 135 HD21 ASN 14 HD21 ASN 14 -3.451 -23.580 8.653 136 HD22 ASN 14 HD22 ASN 14 -3.971 -22.538 9.930 137 H LEU 15 HN LEU 15 0.468 -21.090 5.182 138 HA LEU 15 HA LEU 15 -0.834 -21.709 2.689 139 HB2 LEU 15 HB2 LEU 15 0.692 -20.256 1.638 140 HB3 LEU 15 HB1 LEU 15 0.267 -19.498 3.157 141 HG LEU 15 HG LEU 15 2.782 -21.117 2.973 142 HD11 LEU 15 HD11 LEU 15 2.400 -18.294 2.004 143 HD12 LEU 15 HD12 LEU 15 2.878 -19.689 1.042 144 HD13 LEU 15 HD13 LEU 15 3.956 -19.062 2.284 145 HD21 LEU 15 HD21 LEU 15 3.550 -19.392 4.605 146 HD22 LEU 15 HD22 LEU 15 2.190 -20.353 5.172 147 HD23 LEU 15 HD23 LEU 15 1.921 -18.712 4.592 148 HA PRO 16 HA PRO 16 1.639 -25.284 1.539 149 HB2 PRO 16 HB2 PRO 16 1.799 -24.830 -1.179 150 HB3 PRO 16 HB1 PRO 16 0.399 -25.560 -0.370 151 HG2 PRO 16 HG2 PRO 16 0.799 -22.745 -1.281 152 HG3 PRO 16 HG1 PRO 16 -0.647 -23.778 -1.368 153 HD2 PRO 16 HD2 PRO 16 -0.395 -21.881 0.518 154 HD3 PRO 16 HD1 PRO 16 -1.210 -23.427 0.826 155 H SER 17 HN SER 17 3.707 -25.795 1.196 156 HA SER 17 HA SER 17 5.922 -25.735 1.036 157 HB2 SER 17 HB2 SER 17 7.118 -24.373 -0.437 158 HB3 SER 17 HB1 SER 17 5.524 -24.523 -1.180 159 HG SER 17 HG SER 17 6.831 -22.311 -0.539 160 H HIS 18 HN HIS 18 4.380 -22.891 2.319 161 HA HIS 18 HA HIS 18 4.687 -21.579 4.128 162 HB2 HIS 18 HB2 HIS 18 6.849 -23.448 5.091 163 HB3 HIS 18 HB1 HIS 18 5.895 -22.349 6.055 164 HD1 HIS 18 HD1 HIS 18 3.116 -23.095 5.754 165 HD2 HIS 18 HD2 HIS 18 6.088 -25.978 5.508 166 HE1 HIS 18 HE1 HIS 18 1.972 -25.276 6.223 167 HE2 HIS 18 HE2 HIS 18 3.747 -27.026 5.842 168 H VAL 19 HN VAL 19 5.450 -19.872 2.945 169 HA VAL 19 HA VAL 19 8.118 -19.705 1.990 170 HB VAL 19 HB VAL 19 6.095 -18.581 0.924 171 HG11 VAL 19 HG11 VAL 19 6.570 -16.419 2.959 172 HG12 VAL 19 HG12 VAL 19 5.221 -17.544 3.010 173 HG13 VAL 19 HG13 VAL 19 5.370 -16.416 1.661 174 HG21 VAL 19 HG21 VAL 19 8.393 -18.127 0.226 175 HG22 VAL 19 HG22 VAL 19 8.505 -16.849 1.436 176 HG23 VAL 19 HG23 VAL 19 7.386 -16.689 0.082 177 H SER 20 HN SER 20 9.893 -18.799 2.803 178 HA SER 20 HA SER 20 9.825 -18.040 5.614 179 HB2 SER 20 HB2 SER 20 12.217 -18.470 3.797 180 HB3 SER 20 HB1 SER 20 12.249 -18.264 5.550 181 HG SER 20 HG SER 20 11.038 -20.383 4.110 182 H SER 21 HN SER 21 11.433 -16.210 6.230 183 HA SER 21 HA SER 21 10.339 -13.836 5.255 184 HB2 SER 21 HB2 SER 21 12.296 -12.818 6.646 185 HB3 SER 21 HB1 SER 21 11.061 -13.780 7.460 186 HG SER 21 HG SER 21 13.679 -14.210 7.397 187 H ARG 22 HN ARG 22 13.201 -15.534 4.226 188 HA ARG 22 HA ARG 22 14.501 -13.375 2.924 189 HB2 ARG 22 HB2 ARG 22 15.733 -15.359 3.688 190 HB3 ARG 22 HB1 ARG 22 14.805 -16.369 2.593 191 HG2 ARG 22 HG2 ARG 22 16.237 -14.140 1.329 192 HG3 ARG 22 HG1 ARG 22 17.260 -15.365 2.061 193 HD2 ARG 22 HD2 ARG 22 15.035 -16.284 0.328 194 HD3 ARG 22 HD1 ARG 22 16.410 -15.517 -0.461 195 HE ARG 22 HE ARG 22 16.360 -18.086 0.913 196 HH11 ARG 22 HH12 ARG 22 18.306 -15.574 -0.613 197 HH12 ARG 22 HH11 ARG 22 19.678 -16.598 -0.858 198 HH21 ARG 22 HH22 ARG 22 18.181 -19.422 0.590 199 HH22 ARG 22 HH21 ARG 22 19.604 -18.794 -0.169 200 H ASP 23 HN ASP 23 12.262 -15.886 1.870 201 HA ASP 23 HA ASP 23 12.658 -15.388 -0.925 202 HB2 ASP 23 HB2 ASP 23 10.334 -16.868 0.333 203 HB3 ASP 23 HB1 ASP 23 10.986 -17.067 -1.290 204 H VAL 24 HN VAL 24 10.065 -14.641 1.407 205 HA VAL 24 HA VAL 24 8.715 -12.958 -0.424 206 HB VAL 24 HB VAL 24 7.702 -11.832 1.656 207 HG11 VAL 24 HG11 VAL 24 6.120 -13.704 1.908 208 HG12 VAL 24 HG12 VAL 24 7.231 -14.726 1.001 209 HG13 VAL 24 HG13 VAL 24 6.489 -13.326 0.227 210 HG21 VAL 24 HG21 VAL 24 9.324 -12.630 3.290 211 HG22 VAL 24 HG22 VAL 24 8.839 -14.293 2.957 212 HG23 VAL 24 HG23 VAL 24 7.688 -13.164 3.679 213 H GLU 25 HN GLU 25 11.427 -12.377 1.798 214 HA GLU 25 HA GLU 25 11.527 -9.607 1.616 215 HB2 GLU 25 HB2 GLU 25 13.121 -10.894 2.984 216 HB3 GLU 25 HB1 GLU 25 13.876 -11.517 1.528 217 HG2 GLU 25 HG2 GLU 25 13.821 -8.612 1.617 218 HG3 GLU 25 HG1 GLU 25 14.704 -9.341 2.956 219 H ASN 26 HN ASN 26 12.958 -11.966 -0.763 220 HA ASN 26 HA ASN 26 13.727 -9.786 -2.450 221 HB2 ASN 26 HB2 ASN 26 14.802 -12.103 -2.291 222 HB3 ASN 26 HB1 ASN 26 13.493 -12.649 -3.342 223 HD21 ASN 26 HD21 ASN 26 16.272 -10.521 -3.109 224 HD22 ASN 26 HD22 ASN 26 16.527 -10.386 -4.816 225 H GLU 27 HN GLU 27 11.193 -12.261 -2.780 226 HA GLU 27 HA GLU 27 10.417 -11.271 -5.358 227 HB2 GLU 27 HB2 GLU 27 10.355 -13.701 -4.677 228 HB3 GLU 27 HB1 GLU 27 8.955 -13.312 -3.684 229 HG2 GLU 27 HG2 GLU 27 7.718 -12.611 -5.652 230 HG3 GLU 27 HG1 GLU 27 9.119 -12.944 -6.672 231 H PHE 28 HN PHE 28 9.144 -11.045 -2.061 232 HA PHE 28 HA PHE 28 6.803 -9.660 -3.034 233 HB2 PHE 28 HB2 PHE 28 7.459 -11.051 -0.634 234 HB3 PHE 28 HB1 PHE 28 7.002 -9.444 -0.213 235 HD1 PHE 28 HD1 PHE 28 5.811 -12.284 -2.271 236 HD2 PHE 28 HD2 PHE 28 4.780 -8.957 0.180 237 HE1 PHE 28 HE1 PHE 28 3.451 -12.950 -2.359 238 HE2 PHE 28 HE2 PHE 28 2.414 -9.621 0.085 239 HZ PHE 28 HZ PHE 28 1.744 -11.624 -1.182 240 H ARG 29 HN ARG 29 10.061 -8.737 -1.721 241 HA ARG 29 HA ARG 29 9.234 -6.000 -1.451 242 HB2 ARG 29 HB2 ARG 29 11.391 -5.298 -1.109 243 HB3 ARG 29 HB1 ARG 29 11.478 -6.958 -0.555 244 HG2 ARG 29 HG2 ARG 29 12.789 -7.640 -2.296 245 HG3 ARG 29 HG1 ARG 29 12.171 -6.403 -3.386 246 HD2 ARG 29 HD2 ARG 29 13.357 -4.795 -1.643 247 HD3 ARG 29 HD1 ARG 29 14.330 -6.240 -1.368 248 HE ARG 29 HE ARG 29 15.269 -5.986 -3.436 249 HH11 ARG 29 HH12 ARG 29 12.498 -3.806 -3.185 250 HH12 ARG 29 HH11 ARG 29 12.883 -2.958 -4.647 251 HH21 ARG 29 HH22 ARG 29 15.735 -4.846 -5.369 252 HH22 ARG 29 HH21 ARG 29 14.708 -3.549 -5.882 253 H LYS 30 HN LYS 30 10.176 -7.917 -4.284 254 HA LYS 30 HA LYS 30 10.440 -5.746 -6.031 255 HB2 LYS 30 HB2 LYS 30 10.550 -7.310 -7.623 256 HB3 LYS 30 HB1 LYS 30 10.298 -8.497 -6.364 257 HG2 LYS 30 HG2 LYS 30 8.745 -9.137 -7.963 258 HG3 LYS 30 HG1 LYS 30 7.767 -8.146 -6.883 259 HD2 LYS 30 HD2 LYS 30 8.311 -6.207 -8.476 260 HD3 LYS 30 HD1 LYS 30 8.851 -7.431 -9.608 261 HE2 LYS 30 HE2 LYS 30 6.686 -8.336 -9.796 262 HE3 LYS 30 HE1 LYS 30 6.128 -7.557 -8.322 263 HZ1 LYS 30 HZ1 LYS 30 6.388 -5.406 -9.492 264 HZ2 LYS 30 HZ2 LYS 30 5.203 -6.412 -10.145 265 HZ3 LYS 30 HZ3 LYS 30 6.695 -6.258 -10.922 266 H TYR 31 HN TYR 31 7.503 -7.004 -4.540 267 HA TYR 31 HA TYR 31 5.762 -5.310 -6.129 268 HB2 TYR 31 HB2 TYR 31 5.212 -7.166 -3.812 269 HB3 TYR 31 HB1 TYR 31 3.975 -6.180 -4.577 270 HD1 TYR 31 HD1 TYR 31 3.277 -6.638 -6.915 271 HD2 TYR 31 HD2 TYR 31 6.049 -9.152 -4.896 272 HE1 TYR 31 HE1 TYR 31 2.903 -8.396 -8.594 273 HE2 TYR 31 HE2 TYR 31 5.681 -10.914 -6.567 274 HH TYR 31 HH TYR 31 3.872 -11.570 -8.182 275 H GLY 32 HN GLY 32 7.014 -5.320 -2.787 276 HA2 GLY 32 HA2 GLY 32 6.442 -2.459 -2.654 277 HA3 GLY 32 HA1 GLY 32 5.654 -3.473 -1.457 278 H ASN 33 HN ASN 33 7.724 -1.350 -1.166 279 HA ASN 33 HA ASN 33 10.287 -2.517 -0.798 280 HB2 ASN 33 HB2 ASN 33 9.467 0.014 -1.049 281 HB3 ASN 33 HB1 ASN 33 9.523 -0.064 0.706 282 HD21 ASN 33 HD21 ASN 33 11.090 1.593 -0.932 283 HD22 ASN 33 HD22 ASN 33 12.750 1.146 -0.708 284 H ILE 34 HN ILE 34 10.930 -3.819 0.785 285 HA ILE 34 HA ILE 34 9.224 -4.268 3.047 286 HB ILE 34 HB ILE 34 10.136 -6.173 1.870 287 HG12 ILE 34 HG12 ILE 34 9.887 -6.061 4.526 288 HG13 ILE 34 HG11 ILE 34 10.406 -7.521 3.700 289 HG21 ILE 34 HG21 ILE 34 12.877 -5.235 2.685 290 HG22 ILE 34 HG22 ILE 34 12.215 -5.261 1.051 291 HG23 ILE 34 HG23 ILE 34 12.509 -6.773 1.908 292 HD11 ILE 34 HD11 ILE 34 12.740 -7.006 4.265 293 HD12 ILE 34 HD12 ILE 34 11.732 -7.076 5.712 294 HD13 ILE 34 HD13 ILE 34 12.221 -5.515 5.054 295 H LEU 35 HN LEU 35 9.331 -3.347 4.915 296 HA LEU 35 HA LEU 35 11.768 -1.935 5.716 297 HB2 LEU 35 HB2 LEU 35 9.049 -1.834 7.035 298 HB3 LEU 35 HB1 LEU 35 10.399 -0.759 7.319 299 HG LEU 35 HG LEU 35 8.781 -0.900 4.767 300 HD11 LEU 35 HD11 LEU 35 7.531 0.040 6.650 301 HD12 LEU 35 HD12 LEU 35 7.910 1.268 5.443 302 HD13 LEU 35 HD13 LEU 35 8.837 1.190 6.940 303 HD21 LEU 35 HD21 LEU 35 10.982 0.992 5.590 304 HD22 LEU 35 HD22 LEU 35 9.986 1.138 4.143 305 HD23 LEU 35 HD23 LEU 35 11.078 -0.234 4.325 306 H LYS 36 HN LYS 36 9.546 -4.474 6.646 307 HA LYS 36 HA LYS 36 11.458 -5.557 8.544 308 HB2 LYS 36 HB2 LYS 36 10.065 -3.933 9.818 309 HB3 LYS 36 HB1 LYS 36 8.637 -4.818 9.354 310 HG2 LYS 36 HG2 LYS 36 10.743 -6.302 10.827 311 HG3 LYS 36 HG1 LYS 36 9.799 -5.112 11.719 312 HD2 LYS 36 HD2 LYS 36 7.794 -6.413 10.505 313 HD3 LYS 36 HD1 LYS 36 8.978 -7.718 10.553 314 HE2 LYS 36 HE2 LYS 36 7.574 -7.813 12.518 315 HE3 LYS 36 HE1 LYS 36 9.218 -7.376 12.980 316 HZ1 LYS 36 HZ1 LYS 36 8.580 -5.137 13.297 317 HZ2 LYS 36 HZ2 LYS 36 7.401 -6.065 14.072 318 HZ3 LYS 36 HZ3 LYS 36 7.071 -5.362 12.563 319 H CYS 37 HN CYS 37 11.367 -7.778 8.594 320 HA CYS 37 HA CYS 37 8.902 -9.081 7.704 321 HB2 CYS 37 HB2 CYS 37 10.233 -10.785 6.442 322 HB3 CYS 37 HB1 CYS 37 10.262 -9.179 5.729 323 HG CYS 37 HG CYS 37 12.831 -9.359 7.704 324 H ASP 38 HN ASP 38 8.213 -10.391 9.205 325 HA ASP 38 HA ASP 38 10.132 -11.805 10.922 326 HB2 ASP 38 HB2 ASP 38 8.971 -9.769 11.999 327 HB3 ASP 38 HB1 ASP 38 7.498 -10.730 11.936 328 H VAL 39 HN VAL 39 9.489 -13.931 11.524 329 HA VAL 39 HA VAL 39 7.069 -14.913 10.159 330 HB VAL 39 HB VAL 39 9.717 -16.359 10.501 331 HG11 VAL 39 HG11 VAL 39 7.153 -17.416 9.321 332 HG12 VAL 39 HG12 VAL 39 7.913 -17.960 10.817 333 HG13 VAL 39 HG13 VAL 39 8.719 -18.228 9.270 334 HG21 VAL 39 HG21 VAL 39 8.219 -15.522 8.018 335 HG22 VAL 39 HG22 VAL 39 9.754 -16.393 8.060 336 HG23 VAL 39 HG23 VAL 39 9.655 -14.744 8.676 337 H LYS 40 HN LYS 40 5.594 -15.921 11.357 338 HA LYS 40 HA LYS 40 6.224 -16.418 14.192 339 HB2 LYS 40 HB2 LYS 40 3.475 -16.158 12.946 340 HB3 LYS 40 HB1 LYS 40 3.857 -16.175 14.648 341 HG2 LYS 40 HG2 LYS 40 4.533 -13.963 12.714 342 HG3 LYS 40 HG1 LYS 40 3.214 -13.952 13.884 343 HD2 LYS 40 HD2 LYS 40 5.047 -14.295 15.652 344 HD3 LYS 40 HD1 LYS 40 6.177 -13.830 14.378 345 HE2 LYS 40 HE2 LYS 40 5.708 -11.822 15.502 346 HE3 LYS 40 HE1 LYS 40 4.681 -11.768 14.062 347 HZ1 LYS 40 HZ1 LYS 40 3.367 -11.113 15.896 348 HZ2 LYS 40 HZ2 LYS 40 3.878 -12.439 16.834 349 HZ3 LYS 40 HZ3 LYS 40 2.875 -12.691 15.500 350 H LYS 41 HN LYS 41 5.979 -18.474 15.006 351 HA LYS 41 HA LYS 41 4.721 -20.456 13.238 352 HB2 LYS 41 HB2 LYS 41 7.355 -20.396 13.425 353 HB3 LYS 41 HB1 LYS 41 7.067 -21.207 14.952 354 HG2 LYS 41 HG2 LYS 41 7.556 -22.821 13.216 355 HG3 LYS 41 HG1 LYS 41 5.899 -23.014 13.786 356 HD2 LYS 41 HD2 LYS 41 6.022 -23.230 11.355 357 HD3 LYS 41 HD1 LYS 41 5.078 -21.820 11.804 358 HE2 LYS 41 HE2 LYS 41 6.498 -21.264 9.935 359 HE3 LYS 41 HE1 LYS 41 7.056 -20.395 11.358 360 HZ1 LYS 41 HZ1 LYS 41 8.909 -21.300 10.138 361 HZ2 LYS 41 HZ2 LYS 41 8.267 -22.859 10.233 362 HZ3 LYS 41 HZ3 LYS 41 8.793 -22.077 11.635 363 H THR 42 HN THR 42 3.132 -21.562 14.203 364 HA THR 42 HA THR 42 2.960 -21.427 17.122 365 HB THR 42 HB THR 42 1.043 -20.479 15.906 366 HG1 THR 42 HG1 THR 42 -0.173 -21.155 17.476 367 HG21 THR 42 HG21 THR 42 0.598 -23.279 14.873 368 HG22 THR 42 HG22 THR 42 1.068 -21.874 13.917 369 HG23 THR 42 HG23 THR 42 -0.516 -21.922 14.691 370 H VAL 43 HN VAL 43 1.985 -23.322 18.229 371 HA VAL 43 HA VAL 43 3.387 -25.753 17.619 372 HB VAL 43 HB VAL 43 1.232 -25.353 19.718 373 HG11 VAL 43 HG11 VAL 43 2.425 -27.081 20.962 374 HG12 VAL 43 HG12 VAL 43 3.567 -27.257 19.629 375 HG13 VAL 43 HG13 VAL 43 1.868 -27.673 19.399 376 HG21 VAL 43 HG21 VAL 43 3.012 -24.763 21.289 377 HG22 VAL 43 HG22 VAL 43 2.882 -23.589 19.979 378 HG23 VAL 43 HG23 VAL 43 4.181 -24.782 19.968 379 H SER 44 HN SER 44 0.402 -24.460 16.642 380 HA SER 44 HA SER 44 -1.128 -26.871 16.375 381 HB2 SER 44 HB2 SER 44 -2.089 -24.562 16.630 382 HB3 SER 44 HB1 SER 44 -1.531 -24.201 14.999 383 HG SER 44 HG SER 44 -3.717 -24.846 15.023 384 H GLY 45 HN GLY 45 1.464 -25.566 14.593 385 HA2 GLY 45 HA2 GLY 45 2.532 -26.865 12.917 386 HA3 GLY 45 HA1 GLY 45 0.977 -27.565 12.508 387 H ALA 46 HN ALA 46 0.300 -24.421 12.789 388 HA ALA 46 HA ALA 46 0.424 -24.012 9.918 389 HB1 ALA 46 HB1 ALA 46 -0.812 -22.285 12.062 390 HB2 ALA 46 HB2 ALA 46 -1.656 -23.520 11.126 391 HB3 ALA 46 HB3 ALA 46 -1.012 -22.088 10.322 392 H ALA 47 HN ALA 47 1.595 -22.530 8.888 393 HA ALA 47 HA ALA 47 3.606 -21.063 10.432 394 HB1 ALA 47 HB1 ALA 47 4.529 -22.589 8.766 395 HB2 ALA 47 HB2 ALA 47 4.855 -20.915 8.314 396 HB3 ALA 47 HB3 ALA 47 3.571 -21.812 7.506 397 H PHE 48 HN PHE 48 3.826 -18.870 10.193 398 HA PHE 48 HA PHE 48 1.973 -17.493 8.379 399 HB2 PHE 48 HB2 PHE 48 2.496 -16.392 11.136 400 HB3 PHE 48 HB1 PHE 48 1.221 -15.961 10.016 401 HD1 PHE 48 HD2 PHE 48 -0.705 -17.543 9.710 402 HD2 PHE 48 HD1 PHE 48 2.174 -18.021 12.795 403 HE1 PHE 48 HE2 PHE 48 -2.268 -18.993 10.931 404 HE2 PHE 48 HE1 PHE 48 0.618 -19.460 14.026 405 HZ PHE 48 HZ PHE 48 -1.606 -19.949 13.099 406 H ALA 49 HN ALA 49 2.773 -15.523 7.629 407 HA ALA 49 HA ALA 49 5.330 -14.647 8.738 408 HB1 ALA 49 HB1 ALA 49 5.807 -15.816 6.620 409 HB2 ALA 49 HB2 ALA 49 6.204 -14.100 6.547 410 HB3 ALA 49 HB3 ALA 49 4.737 -14.698 5.776 411 H PHE 50 HN PHE 50 5.567 -12.554 8.941 412 HA PHE 50 HA PHE 50 3.249 -10.826 8.371 413 HB2 PHE 50 HB2 PHE 50 3.843 -11.575 10.805 414 HB3 PHE 50 HB1 PHE 50 5.203 -10.471 10.651 415 HD1 PHE 50 HD1 PHE 50 1.521 -10.699 10.625 416 HD2 PHE 50 HD2 PHE 50 4.920 -8.157 10.963 417 HE1 PHE 50 HE1 PHE 50 0.072 -8.870 11.396 418 HE2 PHE 50 HE2 PHE 50 3.474 -6.325 11.732 419 HZ PHE 50 HZ PHE 50 1.048 -6.680 11.949 420 H ILE 51 HN ILE 51 3.781 -9.254 6.934 421 HA ILE 51 HA ILE 51 6.630 -8.508 6.763 422 HB ILE 51 HB ILE 51 5.378 -8.315 4.154 423 HG12 ILE 51 HG12 ILE 51 5.611 -11.147 5.233 424 HG13 ILE 51 HG11 ILE 51 4.073 -10.316 5.074 425 HG21 ILE 51 HG21 ILE 51 7.378 -9.560 3.484 426 HG22 ILE 51 HG22 ILE 51 7.722 -9.927 5.175 427 HG23 ILE 51 HG23 ILE 51 7.786 -8.261 4.605 428 HD11 ILE 51 HD11 ILE 51 5.956 -11.021 2.837 429 HD12 ILE 51 HD12 ILE 51 4.429 -10.159 2.652 430 HD13 ILE 51 HD13 ILE 51 4.439 -11.826 3.229 431 H GLU 52 HN GLU 52 6.839 -6.406 7.222 432 HA GLU 52 HA GLU 52 4.570 -4.642 6.733 433 HB2 GLU 52 HB2 GLU 52 7.025 -4.043 8.378 434 HB3 GLU 52 HB1 GLU 52 5.531 -3.127 8.335 435 HG2 GLU 52 HG2 GLU 52 4.380 -5.178 9.245 436 HG3 GLU 52 HG1 GLU 52 5.978 -5.861 9.504 437 H PHE 53 HN PHE 53 4.549 -3.492 4.971 438 HA PHE 53 HA PHE 53 7.084 -2.700 3.684 439 HB2 PHE 53 HB2 PHE 53 4.316 -3.089 2.555 440 HB3 PHE 53 HB1 PHE 53 5.631 -2.367 1.643 441 HD1 PHE 53 HD1 PHE 53 7.260 -4.733 3.509 442 HD2 PHE 53 HD2 PHE 53 4.462 -4.476 0.341 443 HE1 PHE 53 HE1 PHE 53 7.964 -6.938 2.728 444 HE2 PHE 53 HE2 PHE 53 5.142 -6.691 -0.448 445 HZ PHE 53 HZ PHE 53 6.901 -7.895 0.767 446 H GLU 54 HN GLU 54 7.061 -0.591 2.497 447 HA GLU 54 HA GLU 54 5.732 1.427 4.066 448 HB2 GLU 54 HB2 GLU 54 6.949 3.081 2.913 449 HB3 GLU 54 HB1 GLU 54 8.048 1.733 3.115 450 HG2 GLU 54 HG2 GLU 54 7.833 1.129 0.800 451 HG3 GLU 54 HG1 GLU 54 6.560 2.320 0.565 452 H ASP 55 HN ASP 55 5.166 -0.130 0.955 453 HA ASP 55 HA ASP 55 2.964 1.771 0.561 454 HB2 ASP 55 HB2 ASP 55 5.129 1.394 -1.129 455 HB3 ASP 55 HB1 ASP 55 3.812 0.499 -1.900 456 H ALA 56 HN ALA 56 1.064 1.049 0.478 457 HA ALA 56 HA ALA 56 0.517 -1.752 0.751 458 HB1 ALA 56 HB1 ALA 56 -1.436 0.521 0.680 459 HB2 ALA 56 HB2 ALA 56 -0.524 0.042 2.109 460 HB3 ALA 56 HB3 ALA 56 -1.665 -1.081 1.372 461 H ARG 57 HN ARG 57 -0.280 0.706 -1.749 462 HA ARG 57 HA ARG 57 -2.114 -1.115 -2.994 463 HB2 ARG 57 HB2 ARG 57 -2.834 0.574 -4.401 464 HB3 ARG 57 HB1 ARG 57 -2.404 1.411 -2.928 465 HG2 ARG 57 HG2 ARG 57 -0.726 1.333 -5.433 466 HG3 ARG 57 HG1 ARG 57 -1.793 2.648 -4.955 467 HD2 ARG 57 HD2 ARG 57 -0.286 2.426 -2.743 468 HD3 ARG 57 HD1 ARG 57 0.866 1.891 -3.954 469 HE ARG 57 HE ARG 57 -0.379 4.537 -3.797 470 HH11 ARG 57 HH11 ARG 57 2.028 2.426 -5.274 471 HH12 ARG 57 HH12 ARG 57 2.868 3.726 -6.031 472 HH21 ARG 57 HH21 ARG 57 0.769 6.236 -4.771 473 HH22 ARG 57 HH22 ARG 57 2.155 5.895 -5.747 474 H ASP 58 HN ASP 58 1.226 -0.469 -3.430 475 HA ASP 58 HA ASP 58 1.415 -1.686 -6.032 476 HB2 ASP 58 HB2 ASP 58 3.117 -0.216 -4.297 477 HB3 ASP 58 HB1 ASP 58 3.908 -1.758 -4.608 478 H ALA 59 HN ALA 59 1.728 -2.707 -2.697 479 HA ALA 59 HA ALA 59 2.565 -5.386 -3.121 480 HB1 ALA 59 HB1 ALA 59 1.105 -4.195 -0.773 481 HB2 ALA 59 HB2 ALA 59 2.850 -4.220 -0.987 482 HB3 ALA 59 HB3 ALA 59 1.967 -5.734 -0.778 483 H ALA 60 HN ALA 60 -0.485 -3.809 -3.303 484 HA ALA 60 HA ALA 60 -2.324 -5.847 -2.881 485 HB1 ALA 60 HB1 ALA 60 -2.937 -3.499 -3.083 486 HB2 ALA 60 HB2 ALA 60 -3.877 -4.499 -4.189 487 HB3 ALA 60 HB3 ALA 60 -2.538 -3.528 -4.802 488 H ASP 61 HN ASP 61 -0.285 -5.301 -5.718 489 HA ASP 61 HA ASP 61 -1.686 -7.028 -7.475 490 HB2 ASP 61 HB2 ASP 61 0.735 -5.489 -7.570 491 HB3 ASP 61 HB1 ASP 61 0.996 -7.088 -8.250 492 H ALA 62 HN ALA 62 0.973 -7.525 -5.195 493 HA ALA 62 HA ALA 62 1.408 -10.283 -5.687 494 HB1 ALA 62 HB1 ALA 62 2.519 -10.275 -3.507 495 HB2 ALA 62 HB2 ALA 62 1.850 -8.680 -3.170 496 HB3 ALA 62 HB3 ALA 62 3.008 -8.890 -4.487 497 H ILE 63 HN ILE 63 -0.711 -8.550 -3.394 498 HA ILE 63 HA ILE 63 -1.653 -10.983 -2.278 499 HB ILE 63 HB ILE 63 -1.687 -8.626 -1.204 500 HG12 ILE 63 HG12 ILE 63 -2.567 -10.925 -0.336 501 HG13 ILE 63 HG11 ILE 63 -3.039 -9.463 0.494 502 HG21 ILE 63 HG21 ILE 63 -3.649 -7.338 -1.344 503 HG22 ILE 63 HG22 ILE 63 -4.510 -8.581 -2.251 504 HG23 ILE 63 HG23 ILE 63 -3.192 -7.690 -3.012 505 HD11 ILE 63 HD11 ILE 63 -4.746 -11.403 -0.164 506 HD12 ILE 63 HD12 ILE 63 -4.892 -10.380 -1.596 507 HD13 ILE 63 HD13 ILE 63 -5.213 -9.712 0.009 508 H LYS 64 HN LYS 64 -2.741 -9.106 -5.115 509 HA LYS 64 HA LYS 64 -5.078 -10.771 -5.310 510 HB2 LYS 64 HB2 LYS 64 -5.620 -9.725 -7.407 511 HB3 LYS 64 HB1 LYS 64 -5.209 -8.518 -6.208 512 HG2 LYS 64 HG2 LYS 64 -4.190 -7.687 -8.092 513 HG3 LYS 64 HG1 LYS 64 -2.873 -8.563 -7.327 514 HD2 LYS 64 HD2 LYS 64 -3.131 -10.412 -8.850 515 HD3 LYS 64 HD1 LYS 64 -4.570 -9.676 -9.560 516 HE2 LYS 64 HE2 LYS 64 -1.909 -8.295 -9.567 517 HE3 LYS 64 HE1 LYS 64 -2.349 -9.467 -10.807 518 HZ1 LYS 64 HZ1 LYS 64 -4.200 -8.134 -11.429 519 HZ2 LYS 64 HZ2 LYS 64 -2.814 -7.160 -11.431 520 HZ3 LYS 64 HZ3 LYS 64 -3.925 -7.047 -10.160 521 H GLU 65 HN GLU 65 -1.785 -11.045 -6.519 522 HA GLU 65 HA GLU 65 -2.582 -13.178 -8.285 523 HB2 GLU 65 HB2 GLU 65 -0.239 -13.618 -8.714 524 HB3 GLU 65 HB1 GLU 65 -0.596 -11.905 -8.871 525 HG2 GLU 65 HG2 GLU 65 0.929 -11.387 -7.370 526 HG3 GLU 65 HG1 GLU 65 0.275 -12.539 -6.208 527 H LYS 66 HN LYS 66 -1.691 -12.952 -4.937 528 HA LYS 66 HA LYS 66 -1.830 -15.890 -4.804 529 HB2 LYS 66 HB2 LYS 66 -0.666 -14.004 -2.738 530 HB3 LYS 66 HB1 LYS 66 -0.616 -15.767 -2.681 531 HG2 LYS 66 HG2 LYS 66 0.564 -15.644 -4.943 532 HG3 LYS 66 HG1 LYS 66 0.753 -13.931 -4.625 533 HD2 LYS 66 HD2 LYS 66 2.030 -14.485 -2.580 534 HD3 LYS 66 HD1 LYS 66 1.895 -16.195 -3.001 535 HE2 LYS 66 HE2 LYS 66 3.037 -15.781 -5.134 536 HE3 LYS 66 HE1 LYS 66 3.168 -14.072 -4.743 537 HZ1 LYS 66 HZ1 LYS 66 4.619 -14.640 -2.900 538 HZ2 LYS 66 HZ2 LYS 66 5.238 -15.245 -4.357 539 HZ3 LYS 66 HZ3 LYS 66 4.474 -16.287 -3.263 540 H ASP 67 HN ASP 67 -3.939 -13.629 -4.787 541 HA ASP 67 HA ASP 67 -5.703 -14.090 -2.612 542 HB2 ASP 67 HB2 ASP 67 -5.937 -12.150 -4.081 543 HB3 ASP 67 HB1 ASP 67 -6.347 -13.192 -5.428 544 H GLY 68 HN GLY 68 -7.876 -15.267 -2.803 545 HA2 GLY 68 HA2 GLY 68 -8.844 -17.365 -3.576 546 HA3 GLY 68 HA1 GLY 68 -7.233 -17.863 -4.042 547 H CYS 69 HN CYS 69 -7.699 -16.202 -1.065 548 HA CYS 69 HA CYS 69 -6.348 -18.150 0.413 549 HB2 CYS 69 HB2 CYS 69 -7.141 -16.825 2.407 550 HB3 CYS 69 HB1 CYS 69 -6.332 -15.873 1.174 551 HG CYS 69 HG CYS 69 -9.717 -16.073 1.142 552 H ASP 70 HN ASP 70 -6.951 -19.825 1.659 553 HA ASP 70 HA ASP 70 -9.802 -20.511 1.678 554 HB2 ASP 70 HB2 ASP 70 -8.145 -21.521 -0.217 555 HB3 ASP 70 HB1 ASP 70 -8.004 -22.752 1.039 556 H PHE 71 HN PHE 71 -10.478 -22.021 3.092 557 HA PHE 71 HA PHE 71 -8.820 -22.836 5.324 558 HB2 PHE 71 HB2 PHE 71 -10.698 -21.918 6.886 559 HB3 PHE 71 HB1 PHE 71 -9.415 -20.845 6.356 560 HD1 PHE 71 HD1 PHE 71 -12.950 -21.827 5.716 561 HD2 PHE 71 HD2 PHE 71 -9.929 -18.863 5.213 562 HE1 PHE 71 HE1 PHE 71 -14.650 -20.224 4.947 563 HE2 PHE 71 HE2 PHE 71 -11.624 -17.265 4.439 564 HZ PHE 71 HZ PHE 71 -13.990 -17.938 4.315 565 H GLU 72 HN GLU 72 -9.698 -24.596 6.513 566 HA GLU 72 HA GLU 72 -10.965 -26.387 7.052 567 HB2 GLU 72 HB2 GLU 72 -13.195 -25.011 5.580 568 HB3 GLU 72 HB1 GLU 72 -13.381 -26.521 6.459 569 HG2 GLU 72 HG2 GLU 72 -12.640 -25.334 8.518 570 HG3 GLU 72 HG1 GLU 72 -12.620 -23.840 7.587 571 H GLY 73 HN GLY 73 -9.311 -27.237 5.554 572 HA2 GLY 73 HA2 GLY 73 -9.146 -29.383 4.545 573 HA3 GLY 73 HA1 GLY 73 -10.661 -29.089 3.713 574 H ASN 74 HN ASN 74 -9.522 -26.286 2.971 575 HA ASN 74 HA ASN 74 -7.136 -27.173 1.492 576 HB2 ASN 74 HB2 ASN 74 -8.921 -24.827 0.791 577 HB3 ASN 74 HB1 ASN 74 -7.460 -25.297 -0.067 578 HD21 ASN 74 HD21 ASN 74 -10.803 -25.832 0.374 579 HD22 ASN 74 HD22 ASN 74 -11.000 -27.032 -0.856 580 H LYS 75 HN LYS 75 -5.314 -26.358 2.293 581 HA LYS 75 HA LYS 75 -5.503 -24.196 4.248 582 HB2 LYS 75 HB2 LYS 75 -3.529 -26.347 3.674 583 HB3 LYS 75 HB1 LYS 75 -2.931 -24.863 4.393 584 HG2 LYS 75 HG2 LYS 75 -3.298 -26.309 6.188 585 HG3 LYS 75 HG1 LYS 75 -4.675 -25.215 6.205 586 HD2 LYS 75 HD2 LYS 75 -5.153 -27.616 4.612 587 HD3 LYS 75 HD1 LYS 75 -4.792 -27.971 6.302 588 HE2 LYS 75 HE2 LYS 75 -6.894 -26.026 5.354 589 HE3 LYS 75 HE1 LYS 75 -7.218 -27.689 5.843 590 HZ1 LYS 75 HZ1 LYS 75 -6.108 -25.535 7.556 591 HZ2 LYS 75 HZ2 LYS 75 -6.330 -27.137 8.045 592 HZ3 LYS 75 HZ3 LYS 75 -7.667 -26.185 7.647 593 H LEU 76 HN LEU 76 -5.450 -22.159 3.292 594 HA LEU 76 HA LEU 76 -3.120 -21.493 1.687 595 HB2 LEU 76 HB2 LEU 76 -5.580 -22.346 0.422 596 HB3 LEU 76 HB1 LEU 76 -5.166 -20.718 -0.059 597 HG LEU 76 HG LEU 76 -3.010 -22.750 -0.212 598 HD11 LEU 76 HD11 LEU 76 -3.800 -23.514 -2.409 599 HD12 LEU 76 HD12 LEU 76 -5.300 -22.619 -2.172 600 HD13 LEU 76 HD13 LEU 76 -4.907 -23.975 -1.116 601 HD21 LEU 76 HD21 LEU 76 -2.415 -21.476 -2.193 602 HD22 LEU 76 HD22 LEU 76 -2.647 -20.394 -0.820 603 HD23 LEU 76 HD23 LEU 76 -3.898 -20.534 -2.052 604 H ARG 77 HN ARG 77 -3.519 -19.931 3.900 605 HA ARG 77 HA ARG 77 -5.450 -17.865 3.090 606 HB2 ARG 77 HB2 ARG 77 -6.012 -18.426 5.257 607 HB3 ARG 77 HB1 ARG 77 -4.352 -18.754 5.708 608 HG2 ARG 77 HG2 ARG 77 -5.126 -16.855 6.960 609 HG3 ARG 77 HG1 ARG 77 -3.924 -16.313 5.798 610 HD2 ARG 77 HD2 ARG 77 -5.711 -14.716 5.851 611 HD3 ARG 77 HD1 ARG 77 -5.754 -15.562 4.308 612 HE ARG 77 HE ARG 77 -7.515 -16.973 5.780 613 HH11 ARG 77 HH11 ARG 77 -7.183 -13.553 5.233 614 HH12 ARG 77 HH12 ARG 77 -8.872 -13.215 5.403 615 HH21 ARG 77 HH21 ARG 77 -9.763 -16.539 6.008 616 HH22 ARG 77 HH22 ARG 77 -10.335 -14.913 5.846 617 H VAL 78 HN VAL 78 -4.664 -16.293 1.874 618 HA VAL 78 HA VAL 78 -2.249 -14.912 2.858 619 HB VAL 78 HB VAL 78 -3.107 -14.838 -0.048 620 HG11 VAL 78 HG11 VAL 78 -1.676 -13.028 0.664 621 HG12 VAL 78 HG12 VAL 78 -0.779 -14.100 -0.411 622 HG13 VAL 78 HG13 VAL 78 -0.507 -14.168 1.328 623 HG21 VAL 78 HG21 VAL 78 -1.057 -16.724 1.114 624 HG22 VAL 78 HG22 VAL 78 -1.338 -16.448 -0.600 625 HG23 VAL 78 HG23 VAL 78 -2.599 -17.171 0.395 626 H GLU 79 HN GLU 79 -2.943 -12.957 3.690 627 HA GLU 79 HA GLU 79 -4.699 -11.351 2.054 628 HB2 GLU 79 HB2 GLU 79 -6.224 -12.709 3.539 629 HB3 GLU 79 HB1 GLU 79 -5.540 -11.846 4.914 630 HG2 GLU 79 HG2 GLU 79 -6.297 -9.712 3.895 631 HG3 GLU 79 HG1 GLU 79 -7.064 -10.642 2.601 632 H VAL 80 HN VAL 80 -4.464 -9.187 2.324 633 HA VAL 80 HA VAL 80 -2.433 -8.291 4.176 634 HB VAL 80 HB VAL 80 -2.757 -6.063 3.074 635 HG11 VAL 80 HG11 VAL 80 -1.048 -6.849 1.903 636 HG12 VAL 80 HG12 VAL 80 -2.183 -7.463 0.710 637 HG13 VAL 80 HG13 VAL 80 -1.655 -8.496 2.044 638 HG21 VAL 80 HG21 VAL 80 -4.550 -7.613 1.189 639 HG22 VAL 80 HG22 VAL 80 -3.998 -5.952 0.975 640 HG23 VAL 80 HG23 VAL 80 -5.082 -6.352 2.306 641 HA PRO 81 HA PRO 81 -5.662 -6.757 6.982 642 HB2 PRO 81 HB2 PRO 81 -4.004 -6.064 9.019 643 HB3 PRO 81 HB1 PRO 81 -4.536 -7.734 8.740 644 HG2 PRO 81 HG2 PRO 81 -1.956 -6.436 8.070 645 HG3 PRO 81 HG1 PRO 81 -2.270 -8.079 8.657 646 HD2 PRO 81 HD2 PRO 81 -1.758 -7.450 6.049 647 HD3 PRO 81 HD1 PRO 81 -2.664 -8.883 6.562 648 H PHE 82 HN PHE 82 -3.449 -5.081 5.135 649 HA PHE 82 HA PHE 82 -3.947 -2.558 6.464 650 HB2 PHE 82 HB2 PHE 82 -2.619 -1.474 4.665 651 HB3 PHE 82 HB1 PHE 82 -1.741 -2.669 5.583 652 HD1 PHE 82 HD2 PHE 82 -3.773 -2.652 2.413 653 HD2 PHE 82 HD1 PHE 82 -0.170 -3.782 4.365 654 HE1 PHE 82 HE2 PHE 82 -2.932 -3.601 0.322 655 HE2 PHE 82 HE1 PHE 82 0.675 -4.713 2.272 656 HZ PHE 82 HZ PHE 82 -0.709 -4.634 0.244 657 H ASN 83 HN ASN 83 -5.173 -4.353 3.776 658 HA ASN 83 HA ASN 83 -6.707 -4.035 2.148 659 HB2 ASN 83 HB2 ASN 83 -7.950 -2.513 4.433 660 HB3 ASN 83 HB1 ASN 83 -8.779 -2.693 2.893 661 HD21 ASN 83 HD21 ASN 83 -10.446 -3.920 3.708 662 HD22 ASN 83 HD22 ASN 83 -10.233 -5.541 4.271 663 H ALA 84 HN ALA 84 -5.037 -2.871 0.948 664 HA ALA 84 HA ALA 84 -4.265 -1.290 -0.461 665 HB1 ALA 84 HB1 ALA 84 -5.788 0.314 -1.415 666 HB2 ALA 84 HB2 ALA 84 -6.941 0.048 -0.110 667 HB3 ALA 84 HB3 ALA 84 -6.585 -1.248 -1.253 668 H ARG 85 HN ARG 85 -4.276 1.401 -0.667 669 HA ARG 85 HA ARG 85 -2.840 2.255 1.682 670 HB2 ARG 85 HB2 ARG 85 -3.358 3.369 -1.032 671 HB3 ARG 85 HB1 ARG 85 -2.972 4.511 0.234 672 HG2 ARG 85 HG2 ARG 85 -1.231 2.184 -0.537 673 HG3 ARG 85 HG1 ARG 85 -1.046 3.818 -1.164 674 HD2 ARG 85 HD2 ARG 85 -0.920 4.495 1.344 675 HD3 ARG 85 HD1 ARG 85 -0.561 2.786 1.603 676 HE ARG 85 HE ARG 85 1.184 3.490 -0.365 677 HH11 ARG 85 HH12 ARG 85 0.522 4.842 2.813 678 HH12 ARG 85 HH11 ARG 85 2.124 5.439 3.034 679 HH21 ARG 85 HH21 ARG 85 3.292 4.342 -0.092 680 HH22 ARG 85 HH22 ARG 85 3.701 5.153 1.375 681 H GLU 86 HN GLU 86 -5.496 3.776 -0.149 682 HA GLU 86 HA GLU 86 -6.627 4.775 2.367 683 HB2 GLU 86 HB2 GLU 86 -6.052 6.348 -0.155 684 HB3 GLU 86 HB1 GLU 86 -7.069 6.944 1.147 685 HG2 GLU 86 HG2 GLU 86 -5.261 7.103 2.637 686 HG3 GLU 86 HG1 GLU 86 -4.237 6.083 1.632 Start of MODEL 20 1 H1 GLY -2 HT1 GLY -2 -17.665 -0.204 -0.857 2 H2 GLY -2 HT2 GLY -2 -16.119 -0.588 -0.290 3 H3 GLY -2 HT3 GLY -2 -16.652 -1.201 -1.772 4 HA2 GLY -2 HA1 GLY -2 -15.110 0.620 -2.112 5 HA3 GLY -2 HA2 GLY -2 -16.715 1.005 -2.723 6 H SER -1 HN SER -1 -14.246 1.786 -0.469 7 HA SER -1 HA SER -1 -15.629 4.243 0.261 8 HB2 SER -1 HB2 SER -1 -14.819 3.872 2.667 9 HB3 SER -1 HB1 SER -1 -16.193 2.901 2.137 10 HG SER -1 HG SER -1 -13.464 2.079 2.349 11 H HIS 0 HN HIS 0 -14.125 5.916 1.028 12 HA HIS 0 HA HIS 0 -11.271 5.331 0.781 13 HB2 HIS 0 HB2 HIS 0 -12.662 7.478 -0.850 14 HB3 HIS 0 HB1 HIS 0 -10.924 7.432 -0.598 15 HD1 HIS 0 HD1 HIS 0 -13.446 6.375 -2.920 16 HD2 HIS 0 HD2 HIS 0 -9.780 4.884 -1.660 17 HE1 HIS 0 HE1 HIS 0 -12.749 4.724 -4.680 18 HE2 HIS 0 HE2 HIS 0 -10.715 3.600 -3.703 19 H MET 1 HN MET 1 -10.290 6.128 2.550 20 HA MET 1 HA MET 1 -11.200 8.704 3.636 21 HB2 MET 1 HB2 MET 1 -10.912 6.119 5.138 22 HB3 MET 1 HB1 MET 1 -10.664 7.650 5.966 23 HG2 MET 1 HG2 MET 1 -12.902 8.351 5.465 24 HG3 MET 1 HG1 MET 1 -13.164 6.932 4.449 25 HE1 MET 1 HE1 MET 1 -15.169 7.801 6.881 26 HE2 MET 1 HE2 MET 1 -15.538 6.152 7.389 27 HE3 MET 1 HE3 MET 1 -15.365 6.530 5.675 28 H VAL 2 HN VAL 2 -9.580 9.484 5.391 29 HA VAL 2 HA VAL 2 -6.946 9.335 4.126 30 HB VAL 2 HB VAL 2 -6.350 11.360 5.439 31 HG11 VAL 2 HG11 VAL 2 -7.778 12.924 4.172 32 HG12 VAL 2 HG12 VAL 2 -8.838 11.580 3.746 33 HG13 VAL 2 HG13 VAL 2 -7.169 11.600 3.177 34 HG21 VAL 2 HG21 VAL 2 -9.241 11.276 6.315 35 HG22 VAL 2 HG22 VAL 2 -8.149 12.642 6.547 36 HG23 VAL 2 HG23 VAL 2 -7.820 11.105 7.348 37 H ILE 3 HN ILE 3 -5.043 8.903 5.224 38 HA ILE 3 HA ILE 3 -5.325 7.876 7.970 39 HB ILE 3 HB ILE 3 -3.527 6.186 7.423 40 HG12 ILE 3 HG12 ILE 3 -4.334 6.679 4.545 41 HG13 ILE 3 HG11 ILE 3 -2.844 7.296 5.249 42 HG21 ILE 3 HG21 ILE 3 -5.118 4.562 6.460 43 HG22 ILE 3 HG22 ILE 3 -6.205 5.893 6.063 44 HG23 ILE 3 HG23 ILE 3 -5.837 5.531 7.748 45 HD11 ILE 3 HD11 ILE 3 -2.418 5.290 3.980 46 HD12 ILE 3 HD12 ILE 3 -3.611 4.404 4.928 47 HD13 ILE 3 HD13 ILE 3 -2.132 4.983 5.694 48 H ARG 4 HN ARG 4 -3.612 8.247 9.376 49 HA ARG 4 HA ARG 4 -1.175 9.481 8.358 50 HB2 ARG 4 HB2 ARG 4 -3.189 10.817 10.079 51 HB3 ARG 4 HB1 ARG 4 -1.513 10.988 10.586 52 HG2 ARG 4 HG2 ARG 4 -0.920 11.984 8.493 53 HG3 ARG 4 HG1 ARG 4 -2.518 11.641 7.832 54 HD2 ARG 4 HD2 ARG 4 -3.551 13.199 9.348 55 HD3 ARG 4 HD1 ARG 4 -2.029 13.459 10.199 56 HE ARG 4 HE ARG 4 -1.258 14.749 8.394 57 HH11 ARG 4 HH11 ARG 4 -4.551 13.610 7.819 58 HH12 ARG 4 HH12 ARG 4 -4.846 14.737 6.536 59 HH21 ARG 4 HH21 ARG 4 -1.681 16.229 6.691 60 HH22 ARG 4 HH22 ARG 4 -3.223 16.212 5.901 61 H GLU 5 HN GLU 5 0.524 8.603 9.253 62 HA GLU 5 HA GLU 5 1.942 7.397 10.519 63 HB2 GLU 5 HB2 GLU 5 0.206 8.414 12.768 64 HB3 GLU 5 HB1 GLU 5 1.757 7.614 13.008 65 HG2 GLU 5 HG2 GLU 5 2.855 9.457 11.748 66 HG3 GLU 5 HG1 GLU 5 1.282 10.212 11.546 67 H SER 6 HN SER 6 1.277 5.448 9.515 68 HA SER 6 HA SER 6 -0.068 3.610 11.360 69 HB2 SER 6 HB2 SER 6 -1.578 4.652 9.423 70 HB3 SER 6 HB1 SER 6 -0.784 3.400 8.461 71 HG SER 6 HG SER 6 -2.439 3.114 10.729 72 H VAL 7 HN VAL 7 0.359 1.355 10.900 73 HA VAL 7 HA VAL 7 2.933 0.973 9.498 74 HB VAL 7 HB VAL 7 1.910 -0.909 11.633 75 HG11 VAL 7 HG11 VAL 7 3.711 -1.698 10.190 76 HG12 VAL 7 HG12 VAL 7 4.266 -1.498 11.852 77 HG13 VAL 7 HG13 VAL 7 4.689 -0.297 10.631 78 HG21 VAL 7 HG21 VAL 7 3.329 0.261 13.275 79 HG22 VAL 7 HG22 VAL 7 1.987 1.257 12.715 80 HG23 VAL 7 HG23 VAL 7 3.614 1.542 12.097 81 H SER 8 HN SER 8 2.516 0.148 7.556 82 HA SER 8 HA SER 8 0.216 -1.523 7.023 83 HB2 SER 8 HB2 SER 8 0.609 0.070 5.364 84 HB3 SER 8 HB1 SER 8 2.355 -0.125 5.442 85 HG SER 8 HG SER 8 2.185 -1.464 3.859 86 H ARG 9 HN ARG 9 0.223 -3.717 7.033 87 HA ARG 9 HA ARG 9 2.678 -5.215 6.567 88 HB2 ARG 9 HB2 ARG 9 2.311 -6.569 8.663 89 HB3 ARG 9 HB1 ARG 9 2.818 -4.906 8.938 90 HG2 ARG 9 HG2 ARG 9 0.357 -4.368 9.235 91 HG3 ARG 9 HG1 ARG 9 0.095 -6.112 9.307 92 HD2 ARG 9 HD2 ARG 9 0.611 -6.046 11.473 93 HD3 ARG 9 HD1 ARG 9 2.248 -5.572 11.029 94 HE ARG 9 HE ARG 9 0.500 -3.325 11.055 95 HH11 ARG 9 HH11 ARG 9 2.322 -5.447 13.205 96 HH12 ARG 9 HH12 ARG 9 2.443 -4.266 14.467 97 HH21 ARG 9 HH22 ARG 9 0.627 -1.800 12.777 98 HH22 ARG 9 HH21 ARG 9 1.486 -2.209 14.223 99 H ILE 10 HN ILE 10 2.366 -7.502 6.153 100 HA ILE 10 HA ILE 10 -0.365 -8.219 5.259 101 HB ILE 10 HB ILE 10 2.291 -9.216 4.159 102 HG12 ILE 10 HG12 ILE 10 0.247 -7.273 3.104 103 HG13 ILE 10 HG11 ILE 10 1.989 -7.076 3.248 104 HG21 ILE 10 HG21 ILE 10 -0.500 -9.920 3.220 105 HG22 ILE 10 HG22 ILE 10 0.568 -10.984 4.135 106 HG23 ILE 10 HG23 ILE 10 1.015 -10.477 2.506 107 HD11 ILE 10 HD11 ILE 10 0.517 -8.777 1.244 108 HD12 ILE 10 HD12 ILE 10 2.266 -8.751 1.419 109 HD13 ILE 10 HD13 ILE 10 1.403 -7.286 0.926 110 H TYR 11 HN TYR 11 -1.268 -10.077 5.933 111 HA TYR 11 HA TYR 11 0.247 -11.778 7.800 112 HB2 TYR 11 HB2 TYR 11 -1.897 -10.578 8.525 113 HB3 TYR 11 HB1 TYR 11 -2.750 -11.675 7.452 114 HD1 TYR 11 HD1 TYR 11 -2.676 -14.183 7.972 115 HD2 TYR 11 HD2 TYR 11 -1.264 -11.223 10.690 116 HE1 TYR 11 HE1 TYR 11 -2.832 -15.806 9.813 117 HE2 TYR 11 HE2 TYR 11 -1.414 -12.842 12.535 118 HH TYR 11 HH TYR 11 -2.642 -14.920 13.073 119 H VAL 12 HN VAL 12 0.952 -13.603 6.952 120 HA VAL 12 HA VAL 12 -0.681 -14.996 4.932 121 HB VAL 12 HB VAL 12 2.341 -15.112 5.211 122 HG11 VAL 12 HG11 VAL 12 1.818 -17.174 4.343 123 HG12 VAL 12 HG12 VAL 12 2.071 -16.218 2.879 124 HG13 VAL 12 HG13 VAL 12 0.435 -16.566 3.441 125 HG21 VAL 12 HG21 VAL 12 1.742 -12.987 4.291 126 HG22 VAL 12 HG22 VAL 12 0.650 -13.745 3.133 127 HG23 VAL 12 HG23 VAL 12 2.392 -14.003 3.003 128 H GLY 13 HN GLY 13 -1.675 -16.665 5.967 129 HA2 GLY 13 HA2 GLY 13 -0.071 -18.208 7.921 130 HA3 GLY 13 HA1 GLY 13 -1.767 -17.863 8.170 131 H ASN 14 HN ASN 14 -0.429 -20.432 8.130 132 HA ASN 14 HA ASN 14 -0.983 -22.577 7.590 133 HB2 ASN 14 HB2 ASN 14 -3.434 -21.314 6.338 134 HB3 ASN 14 HB1 ASN 14 -3.266 -23.001 6.786 135 HD21 ASN 14 HD21 ASN 14 -3.356 -23.565 8.967 136 HD22 ASN 14 HD22 ASN 14 -3.993 -22.496 10.160 137 H LEU 15 HN LEU 15 0.734 -21.228 5.727 138 HA LEU 15 HA LEU 15 -0.339 -21.652 3.078 139 HB2 LEU 15 HB2 LEU 15 1.504 -20.368 2.255 140 HB3 LEU 15 HB1 LEU 15 0.799 -19.545 3.628 141 HG LEU 15 HG LEU 15 3.187 -21.276 4.093 142 HD11 LEU 15 HD11 LEU 15 3.715 -19.998 2.069 143 HD12 LEU 15 HD12 LEU 15 4.683 -19.493 3.454 144 HD13 LEU 15 HD13 LEU 15 3.322 -18.504 2.923 145 HD21 LEU 15 HD21 LEU 15 3.523 -18.893 5.408 146 HD22 LEU 15 HD22 LEU 15 2.824 -20.355 6.099 147 HD23 LEU 15 HD23 LEU 15 1.769 -19.103 5.449 148 HA PRO 16 HA PRO 16 1.932 -25.364 2.038 149 HB2 PRO 16 HB2 PRO 16 2.117 -25.000 -0.661 150 HB3 PRO 16 HB1 PRO 16 0.642 -25.567 0.143 151 HG2 PRO 16 HG2 PRO 16 1.315 -22.845 -0.857 152 HG3 PRO 16 HG1 PRO 16 -0.225 -23.728 -0.903 153 HD2 PRO 16 HD2 PRO 16 0.285 -21.789 0.923 154 HD3 PRO 16 HD1 PRO 16 -0.771 -23.176 1.248 155 H SER 17 HN SER 17 3.984 -25.869 2.042 156 HA SER 17 HA SER 17 6.125 -25.565 2.633 157 HB2 SER 17 HB2 SER 17 7.664 -24.805 0.841 158 HB3 SER 17 HB1 SER 17 6.529 -26.057 0.334 159 HG SER 17 HG SER 17 5.537 -23.568 -0.122 160 H HIS 18 HN HIS 18 6.520 -24.414 4.344 161 HA HIS 18 HA HIS 18 5.834 -21.745 4.715 162 HB2 HIS 18 HB2 HIS 18 7.304 -21.797 6.735 163 HB3 HIS 18 HB1 HIS 18 6.145 -23.108 6.650 164 HD1 HIS 18 HD1 HIS 18 7.134 -25.513 6.239 165 HD2 HIS 18 HD2 HIS 18 9.984 -22.522 6.776 166 HE1 HIS 18 HE1 HIS 18 9.302 -26.712 6.697 167 HE2 HIS 18 HE2 HIS 18 11.035 -24.896 6.705 168 H VAL 19 HN VAL 19 6.560 -19.938 4.016 169 HA VAL 19 HA VAL 19 8.931 -19.879 2.438 170 HB VAL 19 HB VAL 19 6.856 -18.716 1.738 171 HG11 VAL 19 HG11 VAL 19 6.080 -17.883 3.889 172 HG12 VAL 19 HG12 VAL 19 6.216 -16.565 2.723 173 HG13 VAL 19 HG13 VAL 19 7.450 -16.777 3.968 174 HG21 VAL 19 HG21 VAL 19 9.235 -16.898 2.075 175 HG22 VAL 19 HG22 VAL 19 7.910 -16.640 0.942 176 HG23 VAL 19 HG23 VAL 19 8.969 -18.040 0.758 177 H SER 20 HN SER 20 10.886 -19.154 2.918 178 HA SER 20 HA SER 20 11.442 -18.507 5.686 179 HB2 SER 20 HB2 SER 20 13.310 -18.887 3.325 180 HB3 SER 20 HB1 SER 20 13.824 -18.701 5.000 181 HG SER 20 HG SER 20 12.449 -20.810 3.768 182 H SER 21 HN SER 21 13.086 -16.735 6.106 183 HA SER 21 HA SER 21 11.841 -14.287 5.550 184 HB2 SER 21 HB2 SER 21 13.840 -13.314 6.765 185 HB3 SER 21 HB1 SER 21 12.979 -14.583 7.631 186 HG SER 21 HG SER 21 15.531 -14.530 7.107 187 H ARG 22 HN ARG 22 14.453 -15.921 3.954 188 HA ARG 22 HA ARG 22 15.544 -13.599 2.651 189 HB2 ARG 22 HB2 ARG 22 15.967 -16.542 2.053 190 HB3 ARG 22 HB1 ARG 22 16.945 -15.218 1.432 191 HG2 ARG 22 HG2 ARG 22 18.292 -15.737 3.172 192 HG3 ARG 22 HG1 ARG 22 17.146 -14.770 4.094 193 HD2 ARG 22 HD2 ARG 22 17.449 -16.767 5.330 194 HD3 ARG 22 HD1 ARG 22 15.883 -16.922 4.542 195 HE ARG 22 HE ARG 22 17.817 -18.087 2.894 196 HH11 ARG 22 HH11 ARG 22 16.328 -18.675 6.024 197 HH12 ARG 22 HH12 ARG 22 16.559 -20.389 5.949 198 HH21 ARG 22 HH22 ARG 22 18.149 -20.348 2.825 199 HH22 ARG 22 HH21 ARG 22 17.594 -21.340 4.133 200 H ASP 23 HN ASP 23 13.319 -16.167 1.862 201 HA ASP 23 HA ASP 23 13.070 -15.591 -0.905 202 HB2 ASP 23 HB2 ASP 23 11.155 -17.089 0.892 203 HB3 ASP 23 HB1 ASP 23 11.184 -17.140 -0.868 204 H VAL 24 HN VAL 24 11.053 -14.825 1.953 205 HA VAL 24 HA VAL 24 9.320 -13.143 0.460 206 HB VAL 24 HB VAL 24 8.781 -11.998 2.690 207 HG11 VAL 24 HG11 VAL 24 7.201 -13.608 3.235 208 HG12 VAL 24 HG12 VAL 24 8.234 -14.940 2.693 209 HG13 VAL 24 HG13 VAL 24 7.510 -13.839 1.506 210 HG21 VAL 24 HG21 VAL 24 10.269 -14.368 3.801 211 HG22 VAL 24 HG22 VAL 24 9.287 -13.213 4.711 212 HG23 VAL 24 HG23 VAL 24 10.773 -12.683 3.921 213 H GLU 25 HN GLU 25 12.457 -12.595 2.002 214 HA GLU 25 HA GLU 25 12.421 -9.806 1.890 215 HB2 GLU 25 HB2 GLU 25 14.244 -11.407 2.841 216 HB3 GLU 25 HB1 GLU 25 14.927 -11.291 1.230 217 HG2 GLU 25 HG2 GLU 25 15.141 -8.890 1.443 218 HG3 GLU 25 HG1 GLU 25 14.352 -8.944 3.019 219 H ASN 26 HN ASN 26 13.618 -12.077 -0.682 220 HA ASN 26 HA ASN 26 14.053 -9.909 -2.521 221 HB2 ASN 26 HB2 ASN 26 15.251 -12.069 -2.716 222 HB3 ASN 26 HB1 ASN 26 13.722 -12.882 -3.058 223 HD21 ASN 26 HD21 ASN 26 14.116 -13.626 -5.055 224 HD22 ASN 26 HD22 ASN 26 14.410 -12.623 -6.431 225 H GLU 27 HN GLU 27 11.517 -12.409 -2.316 226 HA GLU 27 HA GLU 27 10.304 -11.600 -4.741 227 HB2 GLU 27 HB2 GLU 27 10.273 -13.950 -3.777 228 HB3 GLU 27 HB1 GLU 27 9.024 -13.386 -2.676 229 HG2 GLU 27 HG2 GLU 27 7.990 -14.486 -4.538 230 HG3 GLU 27 HG1 GLU 27 7.631 -12.761 -4.613 231 H PHE 28 HN PHE 28 9.506 -11.171 -1.300 232 HA PHE 28 HA PHE 28 7.205 -9.604 -2.012 233 HB2 PHE 28 HB2 PHE 28 8.390 -10.410 0.617 234 HB3 PHE 28 HB1 PHE 28 7.243 -9.084 0.562 235 HD1 PHE 28 HD2 PHE 28 7.458 -12.520 -0.950 236 HD2 PHE 28 HD1 PHE 28 5.123 -9.667 1.187 237 HE1 PHE 28 HE2 PHE 28 5.609 -14.135 -0.827 238 HE2 PHE 28 HE1 PHE 28 3.272 -11.282 1.311 239 HZ PHE 28 HZ PHE 28 3.515 -13.520 0.312 240 H ARG 29 HN ARG 29 10.679 -8.794 -1.402 241 HA ARG 29 HA ARG 29 10.025 -6.027 -1.102 242 HB2 ARG 29 HB2 ARG 29 12.230 -5.417 -1.260 243 HB3 ARG 29 HB1 ARG 29 12.326 -7.030 -0.601 244 HG2 ARG 29 HG2 ARG 29 13.996 -7.211 -2.100 245 HG3 ARG 29 HG1 ARG 29 12.662 -7.608 -3.193 246 HD2 ARG 29 HD2 ARG 29 12.593 -5.414 -4.074 247 HD3 ARG 29 HD1 ARG 29 13.645 -4.795 -2.798 248 HE ARG 29 HE ARG 29 15.306 -6.498 -3.897 249 HH11 ARG 29 HH12 ARG 29 13.051 -4.414 -5.609 250 HH12 ARG 29 HH11 ARG 29 14.038 -4.284 -7.027 251 HH21 ARG 29 HH22 ARG 29 16.659 -6.278 -5.767 252 HH22 ARG 29 HH21 ARG 29 16.095 -5.347 -7.119 253 H LYS 30 HN LYS 30 10.287 -8.071 -4.001 254 HA LYS 30 HA LYS 30 10.047 -5.840 -5.753 255 HB2 LYS 30 HB2 LYS 30 9.909 -7.318 -7.449 256 HB3 LYS 30 HB1 LYS 30 10.374 -8.473 -6.228 257 HG2 LYS 30 HG2 LYS 30 8.647 -9.617 -7.239 258 HG3 LYS 30 HG1 LYS 30 7.759 -8.749 -5.988 259 HD2 LYS 30 HD2 LYS 30 7.438 -6.907 -7.756 260 HD3 LYS 30 HD1 LYS 30 7.886 -8.161 -8.924 261 HE2 LYS 30 HE2 LYS 30 6.006 -9.536 -8.157 262 HE3 LYS 30 HE1 LYS 30 5.621 -8.324 -6.940 263 HZ1 LYS 30 HZ1 LYS 30 5.163 -6.737 -8.703 264 HZ2 LYS 30 HZ2 LYS 30 4.171 -8.105 -8.844 265 HZ3 LYS 30 HZ3 LYS 30 5.498 -7.915 -9.871 266 H TYR 31 HN TYR 31 7.721 -7.037 -3.538 267 HA TYR 31 HA TYR 31 5.360 -6.318 -4.984 268 HB2 TYR 31 HB2 TYR 31 5.754 -6.891 -2.047 269 HB3 TYR 31 HB1 TYR 31 4.194 -6.578 -2.773 270 HD1 TYR 31 HD2 TYR 31 6.253 -8.478 -4.923 271 HD2 TYR 31 HD1 TYR 31 3.725 -8.785 -1.541 272 HE1 TYR 31 HE2 TYR 31 6.025 -10.878 -5.348 273 HE2 TYR 31 HE1 TYR 31 3.478 -11.198 -1.951 274 HH TYR 31 HH TYR 31 5.504 -12.871 -4.154 275 H GLY 32 HN GLY 32 7.302 -4.557 -2.497 276 HA2 GLY 32 HA2 GLY 32 6.529 -2.046 -3.318 277 HA3 GLY 32 HA1 GLY 32 5.269 -2.543 -2.210 278 H ASN 33 HN ASN 33 8.723 -3.167 -2.071 279 HA ASN 33 HA ASN 33 10.413 -2.648 -0.703 280 HB2 ASN 33 HB2 ASN 33 9.905 -0.346 -1.470 281 HB3 ASN 33 HB1 ASN 33 8.877 -0.130 -0.056 282 HD21 ASN 33 HD21 ASN 33 9.796 0.381 1.878 283 HD22 ASN 33 HD22 ASN 33 11.492 0.633 2.098 284 H ILE 34 HN ILE 34 10.454 -4.145 0.801 285 HA ILE 34 HA ILE 34 8.724 -4.115 3.101 286 HB ILE 34 HB ILE 34 9.147 -6.277 2.216 287 HG12 ILE 34 HG12 ILE 34 9.518 -5.859 4.843 288 HG13 ILE 34 HG11 ILE 34 9.581 -7.462 4.125 289 HG21 ILE 34 HG21 ILE 34 12.097 -5.704 2.348 290 HG22 ILE 34 HG22 ILE 34 11.111 -5.857 0.895 291 HG23 ILE 34 HG23 ILE 34 11.392 -7.264 1.922 292 HD11 ILE 34 HD11 ILE 34 12.054 -7.329 4.088 293 HD12 ILE 34 HD12 ILE 34 11.410 -7.130 5.719 294 HD13 ILE 34 HD13 ILE 34 11.968 -5.722 4.815 295 H LEU 35 HN LEU 35 9.118 -3.195 4.980 296 HA LEU 35 HA LEU 35 11.756 -2.060 5.526 297 HB2 LEU 35 HB2 LEU 35 9.297 -1.691 7.225 298 HB3 LEU 35 HB1 LEU 35 10.720 -0.680 7.147 299 HG LEU 35 HG LEU 35 9.605 -0.607 4.563 300 HD11 LEU 35 HD11 LEU 35 7.520 -0.229 6.702 301 HD12 LEU 35 HD12 LEU 35 7.552 -1.518 5.498 302 HD13 LEU 35 HD13 LEU 35 7.336 0.158 4.990 303 HD21 LEU 35 HD21 LEU 35 9.216 1.738 5.086 304 HD22 LEU 35 HD22 LEU 35 10.789 1.219 5.691 305 HD23 LEU 35 HD23 LEU 35 9.434 1.404 6.804 306 H LYS 36 HN LYS 36 9.485 -4.461 6.656 307 HA LYS 36 HA LYS 36 11.452 -5.573 8.473 308 HB2 LYS 36 HB2 LYS 36 10.288 -3.911 9.843 309 HB3 LYS 36 HB1 LYS 36 8.737 -4.584 9.389 310 HG2 LYS 36 HG2 LYS 36 10.687 -6.332 10.822 311 HG3 LYS 36 HG1 LYS 36 9.843 -5.080 11.725 312 HD2 LYS 36 HD2 LYS 36 7.846 -6.345 10.227 313 HD3 LYS 36 HD1 LYS 36 8.885 -7.652 10.784 314 HE2 LYS 36 HE2 LYS 36 7.071 -7.224 12.350 315 HE3 LYS 36 HE1 LYS 36 8.638 -6.884 13.080 316 HZ1 LYS 36 HZ1 LYS 36 6.916 -4.781 11.877 317 HZ2 LYS 36 HZ2 LYS 36 8.280 -4.570 12.862 318 HZ3 LYS 36 HZ3 LYS 36 6.858 -5.207 13.518 319 H CYS 37 HN CYS 37 11.382 -7.763 8.360 320 HA CYS 37 HA CYS 37 8.801 -8.989 7.659 321 HB2 CYS 37 HB2 CYS 37 10.038 -10.833 6.509 322 HB3 CYS 37 HB1 CYS 37 10.187 -9.278 5.703 323 HG CYS 37 HG CYS 37 12.664 -9.699 7.829 324 H ASP 38 HN ASP 38 8.047 -10.357 9.098 325 HA ASP 38 HA ASP 38 9.945 -11.585 10.959 326 HB2 ASP 38 HB2 ASP 38 8.600 -9.571 11.871 327 HB3 ASP 38 HB1 ASP 38 7.221 -10.669 11.852 328 H VAL 39 HN VAL 39 9.642 -13.772 11.225 329 HA VAL 39 HA VAL 39 7.178 -14.891 10.074 330 HB VAL 39 HB VAL 39 9.863 -16.301 10.273 331 HG11 VAL 39 HG11 VAL 39 8.856 -17.970 8.780 332 HG12 VAL 39 HG12 VAL 39 7.316 -17.114 8.871 333 HG13 VAL 39 HG13 VAL 39 7.994 -17.865 10.316 334 HG21 VAL 39 HG21 VAL 39 8.503 -15.081 7.867 335 HG22 VAL 39 HG22 VAL 39 9.969 -16.059 7.824 336 HG23 VAL 39 HG23 VAL 39 9.977 -14.496 8.640 337 H LYS 40 HN LYS 40 5.814 -15.585 11.510 338 HA LYS 40 HA LYS 40 6.713 -16.452 14.193 339 HB2 LYS 40 HB2 LYS 40 3.920 -15.659 13.315 340 HB3 LYS 40 HB1 LYS 40 4.460 -15.948 14.957 341 HG2 LYS 40 HG2 LYS 40 5.511 -13.682 13.282 342 HG3 LYS 40 HG1 LYS 40 4.063 -13.545 14.278 343 HD2 LYS 40 HD2 LYS 40 5.568 -14.366 16.207 344 HD3 LYS 40 HD1 LYS 40 6.913 -13.953 15.139 345 HE2 LYS 40 HE2 LYS 40 6.484 -12.063 16.563 346 HE3 LYS 40 HE1 LYS 40 5.954 -11.655 14.930 347 HZ1 LYS 40 HZ1 LYS 40 3.669 -12.227 15.621 348 HZ2 LYS 40 HZ2 LYS 40 4.310 -10.929 16.495 349 HZ3 LYS 40 HZ3 LYS 40 4.220 -12.464 17.205 350 H LYS 41 HN LYS 41 6.157 -18.608 14.841 351 HA LYS 41 HA LYS 41 4.071 -19.861 13.227 352 HB2 LYS 41 HB2 LYS 41 5.160 -21.870 12.802 353 HB3 LYS 41 HB1 LYS 41 6.414 -20.676 12.547 354 HG2 LYS 41 HG2 LYS 41 6.113 -22.275 15.087 355 HG3 LYS 41 HG1 LYS 41 7.136 -22.765 13.745 356 HD2 LYS 41 HD2 LYS 41 7.453 -20.189 15.291 357 HD3 LYS 41 HD1 LYS 41 8.347 -21.668 15.631 358 HE2 LYS 41 HE2 LYS 41 9.167 -21.575 13.246 359 HE3 LYS 41 HE1 LYS 41 8.452 -19.968 13.158 360 HZ1 LYS 41 HZ1 LYS 41 10.784 -19.841 13.681 361 HZ2 LYS 41 HZ2 LYS 41 10.571 -20.821 15.049 362 HZ3 LYS 41 HZ3 LYS 41 9.872 -19.280 14.993 363 H THR 42 HN THR 42 2.730 -21.391 14.205 364 HA THR 42 HA THR 42 2.795 -21.259 17.140 365 HB THR 42 HB THR 42 0.708 -20.466 16.076 366 HG1 THR 42 HG1 THR 42 -0.162 -21.170 17.843 367 HG21 THR 42 HG21 THR 42 0.421 -23.311 15.100 368 HG22 THR 42 HG22 THR 42 0.651 -21.877 14.099 369 HG23 THR 42 HG23 THR 42 -0.836 -22.074 15.028 370 H VAL 43 HN VAL 43 1.983 -23.254 18.279 371 HA VAL 43 HA VAL 43 3.651 -25.496 17.611 372 HB VAL 43 HB VAL 43 1.581 -25.354 19.825 373 HG11 VAL 43 HG11 VAL 43 3.067 -26.889 21.014 374 HG12 VAL 43 HG12 VAL 43 4.134 -26.934 19.610 375 HG13 VAL 43 HG13 VAL 43 2.494 -27.574 19.493 376 HG21 VAL 43 HG21 VAL 43 3.354 -24.520 21.290 377 HG22 VAL 43 HG22 VAL 43 2.984 -23.387 19.987 378 HG23 VAL 43 HG23 VAL 43 4.429 -24.395 19.899 379 H SER 44 HN SER 44 0.492 -24.586 16.731 380 HA SER 44 HA SER 44 -0.716 -27.181 16.530 381 HB2 SER 44 HB2 SER 44 -2.012 -25.063 16.800 382 HB3 SER 44 HB1 SER 44 -1.503 -24.578 15.189 383 HG SER 44 HG SER 44 -2.489 -26.896 14.777 384 H GLY 45 HN GLY 45 1.664 -25.608 14.695 385 HA2 GLY 45 HA2 GLY 45 2.847 -26.871 13.040 386 HA3 GLY 45 HA1 GLY 45 1.332 -27.631 12.589 387 H ALA 46 HN ALA 46 0.478 -24.534 12.936 388 HA ALA 46 HA ALA 46 0.715 -24.002 10.091 389 HB1 ALA 46 HB1 ALA 46 -0.724 -22.430 12.221 390 HB2 ALA 46 HB2 ALA 46 -1.450 -23.658 11.181 391 HB3 ALA 46 HB3 ALA 46 -0.826 -22.163 10.481 392 H ALA 47 HN ALA 47 1.945 -22.512 9.189 393 HA ALA 47 HA ALA 47 3.712 -20.928 10.903 394 HB1 ALA 47 HB1 ALA 47 5.192 -20.762 8.954 395 HB2 ALA 47 HB2 ALA 47 4.047 -21.707 8.004 396 HB3 ALA 47 HB3 ALA 47 4.876 -22.444 9.374 397 H PHE 48 HN PHE 48 4.017 -18.733 10.454 398 HA PHE 48 HA PHE 48 2.037 -17.461 8.694 399 HB2 PHE 48 HB2 PHE 48 2.654 -16.357 11.443 400 HB3 PHE 48 HB1 PHE 48 1.362 -15.883 10.351 401 HD1 PHE 48 HD2 PHE 48 -0.529 -17.577 9.969 402 HD2 PHE 48 HD1 PHE 48 2.305 -17.874 13.127 403 HE1 PHE 48 HE2 PHE 48 -2.066 -19.051 11.204 404 HE2 PHE 48 HE1 PHE 48 0.781 -19.332 14.362 405 HZ PHE 48 HZ PHE 48 -1.407 -19.927 13.409 406 H ALA 49 HN ALA 49 2.639 -15.375 7.996 407 HA ALA 49 HA ALA 49 5.298 -14.476 8.777 408 HB1 ALA 49 HB1 ALA 49 5.567 -15.654 6.639 409 HB2 ALA 49 HB2 ALA 49 5.875 -13.926 6.472 410 HB3 ALA 49 HB3 ALA 49 4.350 -14.605 5.909 411 H PHE 50 HN PHE 50 5.441 -12.374 9.091 412 HA PHE 50 HA PHE 50 3.207 -10.634 8.303 413 HB2 PHE 50 HB2 PHE 50 4.805 -10.840 10.748 414 HB3 PHE 50 HB1 PHE 50 4.755 -9.202 10.108 415 HD1 PHE 50 HD1 PHE 50 2.116 -8.843 9.099 416 HD2 PHE 50 HD2 PHE 50 3.376 -11.022 12.533 417 HE1 PHE 50 HE1 PHE 50 -0.085 -8.479 10.131 418 HE2 PHE 50 HE2 PHE 50 1.174 -10.662 13.569 419 HZ PHE 50 HZ PHE 50 -0.558 -9.390 12.368 420 H ILE 51 HN ILE 51 3.664 -9.315 6.634 421 HA ILE 51 HA ILE 51 6.511 -8.607 6.259 422 HB ILE 51 HB ILE 51 4.648 -8.981 3.887 423 HG12 ILE 51 HG12 ILE 51 6.302 -11.073 3.597 424 HG13 ILE 51 HG11 ILE 51 6.294 -11.019 5.357 425 HG21 ILE 51 HG21 ILE 51 6.588 -7.579 3.503 426 HG22 ILE 51 HG22 ILE 51 6.781 -9.115 2.659 427 HG23 ILE 51 HG23 ILE 51 7.651 -8.823 4.166 428 HD11 ILE 51 HD11 ILE 51 4.654 -12.596 4.484 429 HD12 ILE 51 HD12 ILE 51 3.858 -11.293 3.602 430 HD13 ILE 51 HD13 ILE 51 3.873 -11.284 5.365 431 H GLU 52 HN GLU 52 6.887 -6.545 6.415 432 HA GLU 52 HA GLU 52 4.653 -4.692 6.571 433 HB2 GLU 52 HB2 GLU 52 6.390 -5.079 8.390 434 HB3 GLU 52 HB1 GLU 52 7.529 -4.244 7.347 435 HG2 GLU 52 HG2 GLU 52 6.251 -2.213 7.502 436 HG3 GLU 52 HG1 GLU 52 4.988 -3.038 8.421 437 H PHE 53 HN PHE 53 4.186 -3.400 4.886 438 HA PHE 53 HA PHE 53 6.332 -2.775 2.970 439 HB2 PHE 53 HB2 PHE 53 3.391 -3.113 2.521 440 HB3 PHE 53 HB1 PHE 53 4.448 -2.322 1.335 441 HD1 PHE 53 HD1 PHE 53 6.870 -3.840 1.401 442 HD2 PHE 53 HD2 PHE 53 2.846 -5.178 1.670 443 HE1 PHE 53 HE1 PHE 53 7.544 -6.014 0.515 444 HE2 PHE 53 HE2 PHE 53 3.524 -7.360 0.778 445 HZ PHE 53 HZ PHE 53 5.872 -7.773 0.205 446 H GLU 54 HN GLU 54 6.506 -0.783 2.000 447 HA GLU 54 HA GLU 54 5.455 1.427 3.512 448 HB2 GLU 54 HB2 GLU 54 7.359 2.394 2.917 449 HB3 GLU 54 HB1 GLU 54 7.775 0.960 2.004 450 HG2 GLU 54 HG2 GLU 54 6.939 1.922 -0.015 451 HG3 GLU 54 HG1 GLU 54 6.259 3.297 0.856 452 H ASP 55 HN ASP 55 4.763 -0.085 0.376 453 HA ASP 55 HA ASP 55 2.651 1.942 0.025 454 HB2 ASP 55 HB2 ASP 55 4.757 1.404 -1.769 455 HB3 ASP 55 HB1 ASP 55 3.281 0.791 -2.511 456 H ALA 56 HN ALA 56 0.693 1.378 -0.248 457 HA ALA 56 HA ALA 56 -0.071 -1.330 0.224 458 HB1 ALA 56 HB1 ALA 56 -1.788 1.077 -0.325 459 HB2 ALA 56 HB2 ALA 56 -1.227 0.552 1.262 460 HB3 ALA 56 HB3 ALA 56 -2.332 -0.463 0.335 461 H ARG 57 HN ARG 57 -0.439 0.843 -2.566 462 HA ARG 57 HA ARG 57 -2.230 -0.964 -3.899 463 HB2 ARG 57 HB2 ARG 57 -2.472 0.641 -5.643 464 HB3 ARG 57 HB1 ARG 57 -2.507 1.481 -4.113 465 HG2 ARG 57 HG2 ARG 57 -0.089 1.389 -5.914 466 HG3 ARG 57 HG1 ARG 57 -1.300 2.677 -5.937 467 HD2 ARG 57 HD2 ARG 57 -0.783 2.821 -3.383 468 HD3 ARG 57 HD1 ARG 57 0.717 1.999 -3.861 469 HE ARG 57 HE ARG 57 1.223 3.849 -5.321 470 HH11 ARG 57 HH12 ARG 57 -1.199 4.439 -2.862 471 HH12 ARG 57 HH11 ARG 57 -0.989 6.156 -2.883 472 HH21 ARG 57 HH22 ARG 57 1.558 6.108 -5.308 473 HH22 ARG 57 HH21 ARG 57 0.582 7.109 -4.276 474 H ASP 58 HN ASP 58 1.185 -0.459 -4.004 475 HA ASP 58 HA ASP 58 1.575 -1.721 -6.560 476 HB2 ASP 58 HB2 ASP 58 3.133 -0.088 -5.168 477 HB3 ASP 58 HB1 ASP 58 3.734 -1.592 -4.482 478 H ALA 59 HN ALA 59 1.612 -2.640 -3.197 479 HA ALA 59 HA ALA 59 2.455 -5.332 -3.465 480 HB1 ALA 59 HB1 ALA 59 0.873 -4.012 -1.262 481 HB2 ALA 59 HB2 ALA 59 2.631 -4.100 -1.357 482 HB3 ALA 59 HB3 ALA 59 1.685 -5.573 -1.149 483 H ALA 60 HN ALA 60 -0.561 -3.728 -3.815 484 HA ALA 60 HA ALA 60 -2.444 -5.679 -3.232 485 HB1 ALA 60 HB1 ALA 60 -2.930 -3.291 -3.626 486 HB2 ALA 60 HB2 ALA 60 -4.002 -4.376 -4.514 487 HB3 ALA 60 HB3 ALA 60 -2.686 -3.562 -5.351 488 H ASP 61 HN ASP 61 -0.651 -5.213 -6.258 489 HA ASP 61 HA ASP 61 -2.236 -6.960 -7.865 490 HB2 ASP 61 HB2 ASP 61 0.294 -5.487 -8.209 491 HB3 ASP 61 HB1 ASP 61 0.145 -6.962 -9.168 492 H ALA 62 HN ALA 62 0.709 -7.439 -6.042 493 HA ALA 62 HA ALA 62 1.040 -10.153 -6.872 494 HB1 ALA 62 HB1 ALA 62 2.943 -8.778 -6.247 495 HB2 ALA 62 HB2 ALA 62 2.830 -10.197 -5.200 496 HB3 ALA 62 HB3 ALA 62 2.308 -8.621 -4.610 497 H ILE 63 HN ILE 63 -0.420 -8.518 -4.104 498 HA ILE 63 HA ILE 63 -0.924 -10.904 -2.687 499 HB ILE 63 HB ILE 63 -1.031 -8.222 -2.076 500 HG12 ILE 63 HG12 ILE 63 -0.375 -10.053 -0.600 501 HG13 ILE 63 HG11 ILE 63 -1.511 -8.976 0.197 502 HG21 ILE 63 HG21 ILE 63 -3.876 -9.230 -1.889 503 HG22 ILE 63 HG22 ILE 63 -3.286 -7.881 -2.860 504 HG23 ILE 63 HG23 ILE 63 -3.257 -7.777 -1.102 505 HD11 ILE 63 HD11 ILE 63 -2.129 -11.684 -0.961 506 HD12 ILE 63 HD12 ILE 63 -3.312 -10.585 -0.251 507 HD13 ILE 63 HD13 ILE 63 -2.026 -11.259 0.750 508 H LYS 64 HN LYS 64 -2.705 -9.149 -5.242 509 HA LYS 64 HA LYS 64 -4.875 -11.015 -5.072 510 HB2 LYS 64 HB2 LYS 64 -5.826 -10.038 -7.083 511 HB3 LYS 64 HB1 LYS 64 -5.370 -8.794 -5.936 512 HG2 LYS 64 HG2 LYS 64 -4.437 -7.778 -7.681 513 HG3 LYS 64 HG1 LYS 64 -3.151 -8.958 -7.473 514 HD2 LYS 64 HD2 LYS 64 -4.257 -10.448 -9.104 515 HD3 LYS 64 HD1 LYS 64 -5.487 -9.208 -9.382 516 HE2 LYS 64 HE2 LYS 64 -3.734 -7.668 -10.157 517 HE3 LYS 64 HE1 LYS 64 -2.517 -8.896 -9.827 518 HZ1 LYS 64 HZ1 LYS 64 -4.649 -9.025 -11.884 519 HZ2 LYS 64 HZ2 LYS 64 -3.635 -10.318 -11.489 520 HZ3 LYS 64 HZ3 LYS 64 -2.981 -8.903 -12.145 521 H GLU 65 HN GLU 65 -1.775 -11.009 -6.692 522 HA GLU 65 HA GLU 65 -2.461 -13.224 -8.368 523 HB2 GLU 65 HB2 GLU 65 -0.291 -13.314 -9.107 524 HB3 GLU 65 HB1 GLU 65 -0.362 -11.657 -8.561 525 HG2 GLU 65 HG2 GLU 65 1.678 -12.247 -7.738 526 HG3 GLU 65 HG1 GLU 65 0.683 -12.720 -6.366 527 H LYS 66 HN LYS 66 -1.417 -13.090 -4.934 528 HA LYS 66 HA LYS 66 -1.963 -15.986 -5.017 529 HB2 LYS 66 HB2 LYS 66 -1.091 -16.174 -2.703 530 HB3 LYS 66 HB1 LYS 66 0.079 -15.733 -3.914 531 HG2 LYS 66 HG2 LYS 66 -1.114 -13.492 -2.399 532 HG3 LYS 66 HG1 LYS 66 -0.102 -14.598 -1.481 533 HD2 LYS 66 HD2 LYS 66 0.685 -12.994 -3.906 534 HD3 LYS 66 HD1 LYS 66 1.240 -12.762 -2.254 535 HE2 LYS 66 HE2 LYS 66 1.880 -15.087 -4.073 536 HE3 LYS 66 HE1 LYS 66 2.963 -13.806 -3.565 537 HZ1 LYS 66 HZ1 LYS 66 3.346 -15.824 -2.346 538 HZ2 LYS 66 HZ2 LYS 66 1.752 -15.831 -1.783 539 HZ3 LYS 66 HZ3 LYS 66 2.811 -14.599 -1.309 540 H ASP 67 HN ASP 67 -3.896 -13.478 -4.658 541 HA ASP 67 HA ASP 67 -5.509 -14.218 -2.419 542 HB2 ASP 67 HB2 ASP 67 -5.608 -11.955 -3.425 543 HB3 ASP 67 HB1 ASP 67 -6.401 -12.640 -4.837 544 H GLY 68 HN GLY 68 -7.909 -15.071 -2.687 545 HA2 GLY 68 HA2 GLY 68 -8.989 -17.012 -3.745 546 HA3 GLY 68 HA1 GLY 68 -7.396 -17.498 -4.300 547 H CYS 69 HN CYS 69 -7.768 -16.206 -1.143 548 HA CYS 69 HA CYS 69 -6.476 -18.244 0.225 549 HB2 CYS 69 HB2 CYS 69 -6.631 -16.088 1.202 550 HB3 CYS 69 HB1 CYS 69 -8.380 -16.039 1.025 551 HG CYS 69 HG CYS 69 -8.340 -18.384 2.991 552 H ASP 70 HN ASP 70 -7.102 -20.017 1.368 553 HA ASP 70 HA ASP 70 -9.851 -20.968 0.908 554 HB2 ASP 70 HB2 ASP 70 -7.249 -22.440 0.526 555 HB3 ASP 70 HB1 ASP 70 -8.798 -23.256 0.637 556 H PHE 71 HN PHE 71 -10.707 -22.387 2.204 557 HA PHE 71 HA PHE 71 -9.634 -22.943 4.830 558 HB2 PHE 71 HB2 PHE 71 -12.007 -22.118 5.701 559 HB3 PHE 71 HB1 PHE 71 -10.639 -21.019 5.605 560 HD1 PHE 71 HD1 PHE 71 -13.694 -22.127 3.770 561 HD2 PHE 71 HD2 PHE 71 -10.786 -19.066 4.360 562 HE1 PHE 71 HE1 PHE 71 -15.031 -20.588 2.390 563 HE2 PHE 71 HE2 PHE 71 -12.119 -17.533 2.984 564 HZ PHE 71 HZ PHE 71 -14.244 -18.286 2.001 565 H GLU 72 HN GLU 72 -10.643 -24.719 5.868 566 HA GLU 72 HA GLU 72 -11.818 -26.605 6.190 567 HB2 GLU 72 HB2 GLU 72 -13.737 -25.478 4.170 568 HB3 GLU 72 HB1 GLU 72 -14.002 -27.003 5.007 569 HG2 GLU 72 HG2 GLU 72 -13.893 -25.737 7.176 570 HG3 GLU 72 HG1 GLU 72 -13.795 -24.253 6.226 571 H GLY 73 HN GLY 73 -9.760 -27.297 5.137 572 HA2 GLY 73 HA2 GLY 73 -9.212 -29.518 4.459 573 HA3 GLY 73 HA1 GLY 73 -10.532 -29.467 3.311 574 H ASN 74 HN ASN 74 -9.493 -26.676 2.434 575 HA ASN 74 HA ASN 74 -6.765 -27.435 1.618 576 HB2 ASN 74 HB2 ASN 74 -8.411 -27.064 -0.304 577 HB3 ASN 74 HB1 ASN 74 -8.497 -25.383 0.217 578 HD21 ASN 74 HD21 ASN 74 -7.608 -24.603 -1.697 579 HD22 ASN 74 HD22 ASN 74 -5.941 -24.820 -2.097 580 H LYS 75 HN LYS 75 -5.296 -26.305 2.776 581 HA LYS 75 HA LYS 75 -6.251 -23.925 4.159 582 HB2 LYS 75 HB2 LYS 75 -3.722 -24.313 5.171 583 HB3 LYS 75 HB1 LYS 75 -5.221 -24.764 5.946 584 HG2 LYS 75 HG2 LYS 75 -3.661 -26.649 4.168 585 HG3 LYS 75 HG1 LYS 75 -3.375 -26.516 5.903 586 HD2 LYS 75 HD2 LYS 75 -5.908 -27.423 4.508 587 HD3 LYS 75 HD1 LYS 75 -4.839 -28.425 5.484 588 HE2 LYS 75 HE2 LYS 75 -6.583 -26.159 6.438 589 HE3 LYS 75 HE1 LYS 75 -6.903 -27.870 6.660 590 HZ1 LYS 75 HZ1 LYS 75 -4.637 -26.365 7.802 591 HZ2 LYS 75 HZ2 LYS 75 -4.944 -28.008 8.028 592 HZ3 LYS 75 HZ3 LYS 75 -6.018 -26.860 8.637 593 H LEU 76 HN LEU 76 -5.879 -21.985 3.299 594 HA LEU 76 HA LEU 76 -3.201 -21.345 2.378 595 HB2 LEU 76 HB2 LEU 76 -5.253 -22.077 0.490 596 HB3 LEU 76 HB1 LEU 76 -4.796 -20.410 0.234 597 HG LEU 76 HG LEU 76 -2.647 -22.468 0.419 598 HD11 LEU 76 HD11 LEU 76 -2.899 -22.970 -1.964 599 HD12 LEU 76 HD12 LEU 76 -4.381 -22.011 -2.006 600 HD13 LEU 76 HD13 LEU 76 -4.311 -23.486 -1.044 601 HD21 LEU 76 HD21 LEU 76 -1.575 -21.020 -1.202 602 HD22 LEU 76 HD22 LEU 76 -2.104 -20.083 0.197 603 HD23 LEU 76 HD23 LEU 76 -3.030 -20.025 -1.305 604 H ARG 77 HN ARG 77 -3.413 -19.747 4.214 605 HA ARG 77 HA ARG 77 -5.402 -17.659 3.596 606 HB2 ARG 77 HB2 ARG 77 -5.744 -18.192 5.820 607 HB3 ARG 77 HB1 ARG 77 -4.050 -18.515 6.127 608 HG2 ARG 77 HG2 ARG 77 -4.719 -16.586 7.377 609 HG3 ARG 77 HG1 ARG 77 -3.609 -16.086 6.110 610 HD2 ARG 77 HD2 ARG 77 -5.302 -14.456 6.201 611 HD3 ARG 77 HD1 ARG 77 -5.625 -15.412 4.758 612 HE ARG 77 HE ARG 77 -7.442 -16.470 5.945 613 HH11 ARG 77 HH12 ARG 77 -6.137 -13.580 7.496 614 HH12 ARG 77 HH11 ARG 77 -7.565 -13.283 8.429 615 HH21 ARG 77 HH21 ARG 77 -9.338 -16.034 7.159 616 HH22 ARG 77 HH22 ARG 77 -9.385 -14.676 8.237 617 H VAL 78 HN VAL 78 -4.688 -16.148 2.276 618 HA VAL 78 HA VAL 78 -2.252 -14.727 3.091 619 HB VAL 78 HB VAL 78 -2.624 -14.216 0.328 620 HG11 VAL 78 HG11 VAL 78 -0.395 -15.609 0.291 621 HG12 VAL 78 HG12 VAL 78 -0.554 -15.471 2.039 622 HG13 VAL 78 HG13 VAL 78 -0.478 -14.018 1.043 623 HG21 VAL 78 HG21 VAL 78 -3.852 -16.287 0.085 624 HG22 VAL 78 HG22 VAL 78 -2.551 -17.178 0.876 625 HG23 VAL 78 HG23 VAL 78 -2.273 -16.417 -0.694 626 H GLU 79 HN GLU 79 -2.947 -12.746 3.842 627 HA GLU 79 HA GLU 79 -4.579 -11.184 2.054 628 HB2 GLU 79 HB2 GLU 79 -6.261 -10.528 3.763 629 HB3 GLU 79 HB1 GLU 79 -6.388 -12.195 3.241 630 HG2 GLU 79 HG2 GLU 79 -6.600 -12.590 5.430 631 HG3 GLU 79 HG1 GLU 79 -4.841 -12.498 5.414 632 H VAL 80 HN VAL 80 -4.579 -8.976 2.371 633 HA VAL 80 HA VAL 80 -2.619 -7.993 4.264 634 HB VAL 80 HB VAL 80 -3.056 -5.740 3.284 635 HG11 VAL 80 HG11 VAL 80 -1.691 -7.913 2.218 636 HG12 VAL 80 HG12 VAL 80 -1.441 -6.210 1.834 637 HG13 VAL 80 HG13 VAL 80 -2.522 -7.185 0.843 638 HG21 VAL 80 HG21 VAL 80 -4.804 -7.229 1.312 639 HG22 VAL 80 HG22 VAL 80 -4.323 -5.534 1.214 640 HG23 VAL 80 HG23 VAL 80 -5.373 -6.075 2.522 641 HA PRO 81 HA PRO 81 -5.938 -6.582 7.001 642 HB2 PRO 81 HB2 PRO 81 -4.410 -6.291 9.212 643 HB3 PRO 81 HB1 PRO 81 -5.024 -7.876 8.697 644 HG2 PRO 81 HG2 PRO 81 -2.314 -6.721 8.444 645 HG3 PRO 81 HG1 PRO 81 -2.794 -8.408 8.699 646 HD2 PRO 81 HD2 PRO 81 -2.014 -7.256 6.283 647 HD3 PRO 81 HD1 PRO 81 -2.854 -8.808 6.464 648 H PHE 82 HN PHE 82 -3.505 -5.063 5.407 649 HA PHE 82 HA PHE 82 -3.842 -2.580 6.894 650 HB2 PHE 82 HB2 PHE 82 -2.055 -1.608 5.550 651 HB3 PHE 82 HB1 PHE 82 -1.532 -3.083 6.321 652 HD1 PHE 82 HD1 PHE 82 -2.894 -1.977 2.985 653 HD2 PHE 82 HD2 PHE 82 -0.139 -4.431 5.106 654 HE1 PHE 82 HE1 PHE 82 -1.847 -2.638 0.877 655 HE2 PHE 82 HE2 PHE 82 0.890 -5.104 2.992 656 HZ PHE 82 HZ PHE 82 0.036 -4.211 0.874 657 H ASN 83 HN ASN 83 -5.275 -4.178 4.389 658 HA ASN 83 HA ASN 83 -6.701 -3.749 2.721 659 HB2 ASN 83 HB2 ASN 83 -7.071 -1.369 4.397 660 HB3 ASN 83 HB1 ASN 83 -7.567 -1.177 2.715 661 HD21 ASN 83 HD21 ASN 83 -9.330 -2.282 1.965 662 HD22 ASN 83 HD22 ASN 83 -10.363 -3.234 2.969 663 H ALA 84 HN ALA 84 -6.516 -3.399 0.634 664 HA ALA 84 HA ALA 84 -3.884 -2.529 -0.178 665 HB1 ALA 84 HB1 ALA 84 -4.392 -3.672 -2.269 666 HB2 ALA 84 HB2 ALA 84 -6.058 -3.916 -1.748 667 HB3 ALA 84 HB3 ALA 84 -4.735 -4.697 -0.879 668 H ARG 85 HN ARG 85 -4.764 -0.270 0.419 669 HA ARG 85 HA ARG 85 -5.149 1.862 -0.136 670 HB2 ARG 85 HB2 ARG 85 -3.716 0.844 -2.287 671 HB3 ARG 85 HB1 ARG 85 -5.065 1.681 -3.041 672 HG2 ARG 85 HG2 ARG 85 -3.092 2.858 -1.092 673 HG3 ARG 85 HG1 ARG 85 -3.171 3.178 -2.822 674 HD2 ARG 85 HD2 ARG 85 -5.653 3.890 -2.190 675 HD3 ARG 85 HD1 ARG 85 -4.912 4.132 -0.610 676 HE ARG 85 HE ARG 85 -3.492 5.785 -1.552 677 HH11 ARG 85 HH12 ARG 85 -5.977 4.621 -3.785 678 HH12 ARG 85 HH11 ARG 85 -5.863 5.996 -4.833 679 HH21 ARG 85 HH22 ARG 85 -3.295 7.576 -3.016 680 HH22 ARG 85 HH21 ARG 85 -4.341 7.669 -4.397 681 H GLU 86 HN GLU 86 -7.373 0.053 0.055 682 HA GLU 86 HA GLU 86 -9.641 0.044 -0.062 683 HB2 GLU 86 HB2 GLU 86 -9.073 2.940 -0.727 684 HB3 GLU 86 HB1 GLU 86 -10.702 2.343 -0.448 685 HG2 GLU 86 HG2 GLU 86 -8.457 2.164 1.546 686 HG3 GLU 86 HG1 GLU 86 -9.641 3.474 1.495
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