REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bid_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSMDCEVNNG SSLRDECITN LLVFGFLQSC SDNSFRRELD ALGHELPVLA DATA SEQUENCE PQWEGYDELQ TDGNRSSHSR LGRIEADSES QEDIIRNIAR HLAQVGDSMD DATA SEQUENCE RSIPPGLVNG LALQLRNTSR SEEDRNRDLA TALEQLLQAY PRDMEKEKTM DATA SEQUENCE LVLALLLAKK VASHTPSLLR DVFHTTVNFI NQNLRTYVRS LARNGMD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.900 174.900 -0.001 0.000 0.946 1 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 2 S N -1.588 114.112 115.700 -0.001 0.000 3.849 2 S HA -0.148 4.322 4.470 -0.001 0.000 0.654 2 S C -0.646 173.954 174.600 -0.001 0.000 1.808 2 S CA 0.442 58.642 58.200 -0.001 0.000 1.951 2 S CB 0.573 63.773 63.200 -0.001 0.000 0.330 2 S HN -0.027 8.283 8.310 -0.000 0.000 1.627 3 M N 3.296 122.895 119.600 -0.001 0.000 2.182 3 M HA 0.105 4.585 4.480 -0.001 0.000 0.285 3 M C -1.749 174.550 176.300 -0.001 0.000 0.956 3 M CA 0.210 55.510 55.300 -0.001 0.000 0.878 3 M CB 0.513 33.113 32.600 -0.001 0.000 1.373 3 M HN 0.105 8.395 8.290 -0.001 0.000 0.393 4 D N 1.258 121.657 120.400 -0.001 0.000 2.785 4 D HA 0.207 4.846 4.640 -0.002 0.000 0.324 4 D C -0.775 175.524 176.300 -0.001 0.000 1.523 4 D CA -0.091 53.908 54.000 -0.002 0.000 0.789 4 D CB 1.191 41.990 40.800 -0.002 0.000 1.171 4 D HN 0.212 8.581 8.370 -0.001 0.000 0.447 5 C N 2.020 121.319 119.300 -0.001 0.000 2.185 5 C HA 0.197 4.657 4.460 -0.001 0.000 0.357 5 C C 0.342 175.332 174.990 -0.001 0.000 1.053 5 C CA -0.870 58.147 59.018 -0.001 0.000 1.552 5 C CB -1.722 26.018 27.740 -0.001 0.000 1.679 5 C HN 0.217 8.447 8.230 -0.001 0.000 0.453 6 E N 2.890 123.089 120.200 -0.001 0.000 4.540 6 E HA -0.500 3.849 4.350 -0.002 0.000 0.175 6 E C -1.018 175.581 176.600 -0.001 0.000 1.236 6 E CA 2.396 58.795 56.400 -0.001 0.000 2.396 6 E CB -0.990 28.709 29.700 -0.001 0.000 1.797 6 E HN 0.441 8.800 8.360 -0.002 0.000 0.437 7 V N 3.358 123.271 119.914 -0.001 0.000 2.442 7 V HA -0.174 3.946 4.120 -0.001 0.000 0.272 7 V C -0.530 175.563 176.094 -0.001 0.000 0.989 7 V CA 1.184 63.484 62.300 -0.001 0.000 1.123 7 V CB -0.333 31.490 31.823 -0.000 0.000 1.008 7 V HN 0.010 8.117 8.190 -0.001 0.083 0.469 8 N N 7.353 126.052 118.700 -0.001 0.000 2.818 8 N HA 0.034 4.773 4.740 -0.002 0.000 0.301 8 N C -1.507 174.002 175.510 -0.002 0.000 1.821 8 N CA -0.751 52.298 53.050 -0.002 0.000 0.930 8 N CB -0.347 38.138 38.487 -0.003 0.000 1.263 8 N HN -0.116 8.263 8.380 -0.001 0.000 0.487 9 N N -0.292 118.408 118.700 -0.001 0.000 2.310 9 N HA 0.141 4.881 4.740 -0.001 0.000 0.292 9 N C -0.982 174.528 175.510 0.000 0.000 1.049 9 N CA 0.420 53.470 53.050 -0.000 0.000 0.849 9 N CB 2.167 40.655 38.487 0.001 0.000 1.532 9 N HN -0.461 7.919 8.380 -0.001 0.000 0.479 10 G N 1.578 110.378 108.800 0.000 0.000 3.824 10 G HA2 -0.003 3.957 3.960 0.001 0.000 0.198 10 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.198 10 G C -0.555 174.346 174.900 0.000 0.000 1.400 10 G CA 0.678 45.778 45.100 0.000 0.000 0.912 10 G HN 0.179 8.469 8.290 -0.000 0.000 0.638 11 S N -0.498 115.201 115.700 -0.001 0.000 2.595 11 S HA 0.160 4.630 4.470 -0.000 0.000 0.270 11 S C -1.725 172.873 174.600 -0.003 0.000 1.145 11 S CA -0.209 57.990 58.200 -0.001 0.000 0.825 11 S CB 0.663 63.862 63.200 -0.002 0.000 1.107 11 S HN -0.303 8.005 8.310 -0.002 0.000 0.461 12 S N 2.465 118.163 115.700 -0.004 0.000 2.653 12 S HA 0.163 4.628 4.470 -0.007 0.000 0.268 12 S C -1.177 173.418 174.600 -0.008 0.000 1.153 12 S CA -0.005 58.191 58.200 -0.007 0.000 1.036 12 S CB 0.944 64.140 63.200 -0.008 0.000 1.103 12 S HN 0.111 8.419 8.310 -0.003 0.000 0.466 13 L N 6.966 128.183 121.223 -0.009 0.000 2.462 13 L HA 0.057 4.391 4.340 -0.011 0.000 0.283 13 L C -0.281 176.580 176.870 -0.015 0.000 1.166 13 L CA 0.531 55.364 54.840 -0.011 0.000 0.964 13 L CB -0.401 41.652 42.059 -0.010 0.000 1.294 13 L HN 0.387 8.612 8.230 -0.009 0.000 0.449 14 R N 4.306 124.796 120.500 -0.017 0.000 2.653 14 R HA 0.259 4.584 4.340 -0.024 0.000 0.269 14 R C -1.406 174.878 176.300 -0.027 0.000 1.603 14 R CA -0.428 55.658 56.100 -0.023 0.000 1.671 14 R CB 1.061 31.346 30.300 -0.025 0.000 1.300 14 R HN 0.181 8.442 8.270 -0.015 0.000 0.668 15 D N 0.946 121.329 120.400 -0.028 0.000 2.886 15 D HA 0.241 4.861 4.640 -0.034 0.000 0.355 15 D C 0.159 176.434 176.300 -0.042 0.000 1.274 15 D CA -0.952 53.028 54.000 -0.033 0.000 0.836 15 D CB 0.084 40.867 40.800 -0.029 0.000 1.109 15 D HN -0.180 8.175 8.370 -0.025 0.000 0.488 16 E N -0.229 119.945 120.200 -0.043 0.000 2.265 16 E HA -0.255 4.072 4.350 -0.037 0.000 0.196 16 E C 1.282 177.840 176.600 -0.070 0.000 0.996 16 E CA 2.419 58.792 56.400 -0.045 0.000 0.832 16 E CB -0.288 29.391 29.700 -0.035 0.000 0.756 16 E HN 0.358 8.693 8.360 -0.042 0.000 0.491 17 C N -2.900 116.354 119.300 -0.077 0.000 2.399 17 C HA -0.339 4.051 4.460 -0.116 0.000 0.282 17 C C 1.692 176.589 174.990 -0.155 0.000 1.227 17 C CA 3.515 62.469 59.018 -0.107 0.000 1.827 17 C CB -1.047 26.647 27.740 -0.077 0.000 2.068 17 C HN 0.176 8.326 8.230 -0.063 0.042 0.500 18 I N -2.660 117.836 120.570 -0.124 0.000 2.277 18 I HA -0.205 3.863 4.170 -0.170 0.000 0.243 18 I C 0.353 176.366 176.117 -0.174 0.000 1.094 18 I CA 3.539 64.752 61.300 -0.145 0.000 1.393 18 I CB -0.806 37.136 38.000 -0.097 0.000 1.078 18 I HN -0.546 7.561 8.210 -0.092 0.048 0.417 19 T N 3.688 118.173 114.554 -0.115 0.000 2.607 19 T HA -0.485 3.820 4.350 -0.076 0.000 0.267 19 T C 1.968 176.586 174.700 -0.137 0.000 1.049 19 T CA 4.825 66.875 62.100 -0.085 0.000 1.162 19 T CB -1.044 67.816 68.868 -0.013 0.000 0.863 19 T HN -0.192 7.916 8.240 -0.086 0.080 0.424 20 N N 1.585 120.197 118.700 -0.147 0.000 2.069 20 N HA -0.391 4.367 4.740 0.030 0.000 0.191 20 N C 1.934 177.089 175.510 -0.592 0.000 1.031 20 N CA 3.058 55.986 53.050 -0.203 0.000 0.852 20 N CB -0.556 37.810 38.487 -0.203 0.000 1.018 20 N HN -0.726 7.582 8.380 -0.120 0.000 0.423 21 L N 0.758 121.596 121.223 -0.641 0.000 1.978 21 L HA -0.435 3.341 4.340 -0.940 0.000 0.218 21 L C 2.002 178.569 176.870 -0.505 0.000 1.075 21 L CA 2.975 57.433 54.840 -0.636 0.000 0.767 21 L CB -0.094 41.735 42.059 -0.383 0.000 0.890 21 L HN -0.646 7.243 8.230 -0.463 0.063 0.434 22 L N -2.157 118.725 121.223 -0.568 0.000 1.965 22 L HA -0.409 3.240 4.340 -1.152 0.000 0.226 22 L C 2.867 178.932 176.870 -1.340 0.000 1.083 22 L CA 3.096 57.260 54.840 -1.128 0.000 0.790 22 L CB -1.985 39.497 42.059 -0.962 0.000 0.898 22 L HN 0.303 8.268 8.230 -0.443 0.000 0.439 23 V N -1.095 118.413 119.914 -0.676 0.000 2.317 23 V HA -0.573 3.462 4.120 -0.142 0.000 0.251 23 V C 1.921 177.647 176.094 -0.614 0.000 1.065 23 V CA 4.517 66.567 62.300 -0.415 0.000 1.049 23 V CB -0.374 31.306 31.823 -0.238 0.000 0.651 23 V HN -0.584 7.333 8.190 -0.455 0.000 0.450 24 F N -0.549 118.992 119.950 -0.682 0.000 2.011 24 F HA -0.437 3.816 4.527 -0.456 0.000 0.296 24 F C 2.389 178.050 175.800 -0.232 0.000 1.144 24 F CA 2.905 60.691 58.000 -0.356 0.000 1.185 24 F CB -1.706 37.293 39.000 -0.002 0.000 0.961 24 F HN 0.017 8.320 8.300 0.139 0.080 0.485 25 G N -2.343 106.473 108.800 0.027 0.000 2.476 25 G HA2 -0.434 3.587 3.960 0.103 0.000 0.218 25 G HA3 -0.434 3.526 3.960 0.000 0.000 0.218 25 G C 1.689 176.671 174.900 0.136 0.000 1.164 25 G CA 2.259 47.386 45.100 0.046 0.000 0.768 25 G HN -0.169 8.112 8.290 -0.016 0.000 0.560 26 F N 2.461 122.377 119.950 -0.058 0.000 2.043 26 F HA -0.216 4.291 4.527 -0.033 0.000 0.297 26 F C 2.627 178.373 175.800 -0.090 0.000 1.121 26 F CA 0.625 58.580 58.000 -0.074 0.000 1.199 26 F CB -1.037 37.901 39.000 -0.102 0.000 0.968 26 F HN 0.512 8.545 8.300 -0.250 0.118 0.478 27 L N -5.172 116.053 121.223 0.004 0.000 2.465 27 L HA -0.229 4.138 4.340 0.045 0.000 0.224 27 L C 2.339 179.270 176.870 0.102 0.000 1.145 27 L CA 1.048 55.883 54.840 -0.008 0.000 0.834 27 L CB -1.855 40.100 42.059 -0.172 0.000 0.944 27 L HN 0.674 8.673 8.230 -0.168 0.131 0.451 28 Q N -1.473 118.389 119.800 0.104 0.000 2.020 28 Q HA -0.250 4.188 4.340 0.162 0.000 0.198 28 Q C 1.614 177.680 176.000 0.110 0.000 0.974 28 Q CA 2.720 58.604 55.803 0.135 0.000 0.829 28 Q CB 0.346 29.166 28.738 0.136 0.000 0.894 28 Q HN 0.114 8.153 8.270 0.071 0.274 0.433 29 S N -2.481 113.282 115.700 0.105 0.000 2.496 29 S HA -0.082 4.437 4.470 0.081 0.000 0.224 29 S C 2.209 176.847 174.600 0.062 0.000 0.996 29 S CA 2.192 60.443 58.200 0.084 0.000 0.927 29 S CB 0.068 63.321 63.200 0.089 0.000 0.774 29 S HN -0.205 8.177 8.310 0.120 0.000 0.524 30 C N 3.328 122.665 119.300 0.062 0.000 2.392 30 C HA -0.232 4.428 4.460 0.025 -0.185 0.276 30 C C -0.156 174.848 174.990 0.022 0.000 1.212 30 C CA 2.728 61.768 59.018 0.036 0.000 1.791 30 C CB -1.046 26.716 27.740 0.037 0.000 2.063 30 C HN -0.429 7.712 8.230 0.080 0.137 0.481 31 S N -2.132 113.587 115.700 0.031 0.000 2.960 31 S HA 0.248 4.728 4.470 0.017 0.000 0.256 31 S C -1.131 173.506 174.600 0.061 0.000 1.017 31 S CA 0.226 58.442 58.200 0.026 0.000 1.144 31 S CB 1.092 64.280 63.200 -0.019 0.000 1.109 31 S HN -0.594 7.723 8.310 0.050 0.024 0.638 32 D N 1.142 121.583 120.400 0.067 0.000 3.565 32 D HA -0.402 4.283 4.640 0.074 0.000 0.257 32 D C -0.753 175.606 176.300 0.099 0.000 1.938 32 D CA 2.436 56.480 54.000 0.075 0.000 1.130 32 D CB -0.296 40.539 40.800 0.059 0.000 0.859 32 D HN -0.622 7.631 8.370 0.062 0.154 1.039 33 N N -0.686 118.066 118.700 0.086 0.000 2.256 33 N HA -0.094 4.703 4.740 0.095 0.000 0.252 33 N C -0.019 175.563 175.510 0.120 0.000 1.274 33 N CA 1.202 54.305 53.050 0.089 0.000 0.872 33 N CB 0.244 38.765 38.487 0.057 0.000 0.982 33 N HN -0.115 8.307 8.380 0.069 0.000 0.445 34 S N -3.203 112.543 115.700 0.077 0.000 3.561 34 S HA -0.240 4.217 4.470 -0.022 0.000 0.318 34 S C -1.317 173.334 174.600 0.084 0.000 1.181 34 S CA 1.617 59.848 58.200 0.051 0.000 0.916 34 S CB -0.486 62.765 63.200 0.085 0.000 0.966 34 S HN 0.284 8.622 8.310 0.047 0.000 0.550 35 F N -4.453 115.501 119.950 0.006 0.000 2.495 35 F HA 0.052 4.576 4.527 -0.005 0.000 0.355 35 F C -1.045 174.757 175.800 0.004 0.000 1.155 35 F CA 0.084 58.085 58.000 0.003 0.000 0.963 35 F CB 0.174 39.179 39.000 0.008 0.000 1.838 35 F HN -0.564 7.777 8.300 0.125 0.034 0.451 36 R N 1.579 122.152 120.500 0.122 0.000 2.052 36 R HA -0.033 4.376 4.340 0.115 0.000 0.224 36 R C 1.545 177.877 176.300 0.054 0.000 1.149 36 R CA 1.720 57.873 56.100 0.089 0.000 0.962 36 R CB -0.676 29.660 30.300 0.059 0.000 0.856 36 R HN -0.130 8.178 8.270 0.062 0.000 0.433 37 R N -0.452 120.058 120.500 0.016 0.000 2.198 37 R HA -0.374 3.969 4.340 0.005 0.000 0.258 37 R C 2.055 178.355 176.300 0.001 0.000 1.173 37 R CA 3.727 59.825 56.100 -0.003 0.000 0.991 37 R CB -1.019 29.260 30.300 -0.035 0.000 0.879 37 R HN 0.448 8.718 8.270 -0.001 0.000 0.460 38 E N -2.007 118.215 120.200 0.037 0.000 2.017 38 E HA -0.244 4.117 4.350 0.017 0.000 0.193 38 E C 2.263 178.834 176.600 -0.047 0.000 0.997 38 E CA 3.094 59.524 56.400 0.051 0.000 0.804 38 E CB -0.889 28.962 29.700 0.252 0.000 0.757 38 E HN 0.240 8.598 8.360 0.060 0.038 0.448 39 L N -1.176 120.022 121.223 -0.040 0.000 2.079 39 L HA -0.392 3.727 4.340 -0.368 0.000 0.210 39 L C 2.031 178.800 176.870 -0.167 0.000 1.081 39 L CA 2.646 57.388 54.840 -0.165 0.000 0.752 39 L CB -0.964 41.089 42.059 -0.009 0.000 0.896 39 L HN -0.365 7.829 8.230 0.049 0.065 0.433 40 D N -1.172 119.198 120.400 -0.049 0.000 2.190 40 D HA -0.298 4.349 4.640 0.011 0.000 0.200 40 D C 1.288 177.595 176.300 0.011 0.000 0.992 40 D CA 3.385 57.384 54.000 -0.002 0.000 0.854 40 D CB -0.138 40.680 40.800 0.030 0.000 0.936 40 D HN -0.020 8.331 8.370 -0.014 0.010 0.462 41 A N -2.617 120.186 122.820 -0.028 0.000 2.016 41 A HA -0.165 4.191 4.320 0.061 0.000 0.217 41 A C 1.746 179.302 177.584 -0.046 0.000 1.162 41 A CA 2.483 54.510 52.037 -0.015 0.000 0.662 41 A CB -0.158 18.803 19.000 -0.064 0.000 0.812 41 A HN -0.602 7.388 8.150 -0.051 0.129 0.450 42 L N -0.768 120.335 121.223 -0.200 0.000 1.970 42 L HA -0.330 3.843 4.340 -0.278 0.000 0.212 42 L C 2.324 179.081 176.870 -0.189 0.000 1.071 42 L CA 2.903 57.534 54.840 -0.348 0.000 0.751 42 L CB -0.008 41.551 42.059 -0.834 0.000 0.889 42 L HN -0.871 7.074 8.230 -0.231 0.146 0.432 43 G N -4.670 104.018 108.800 -0.186 0.000 2.535 43 G HA2 -0.315 3.802 3.960 0.262 0.000 0.218 43 G HA3 -0.315 3.765 3.960 0.200 0.000 0.218 43 G C 1.589 176.586 174.900 0.163 0.000 1.122 43 G CA 1.714 46.879 45.100 0.108 0.000 0.769 43 G HN -0.284 7.824 8.290 -0.304 0.000 0.549 44 H N 0.561 119.652 119.070 0.036 0.000 2.563 44 H HA 0.065 4.671 4.556 0.083 0.000 0.272 44 H C -0.004 175.368 175.328 0.074 0.000 1.005 44 H CA 1.725 57.806 56.048 0.056 0.000 1.171 44 H CB 0.070 29.844 29.762 0.020 0.000 1.351 44 H HN -0.733 7.428 8.280 0.149 0.208 0.602 45 E N -3.210 117.117 120.200 0.211 0.000 2.858 45 E HA 0.175 4.640 4.350 0.192 0.000 0.195 45 E C -1.171 175.534 176.600 0.176 0.000 0.952 45 E CA -0.235 56.274 56.400 0.182 0.000 1.294 45 E CB 1.595 31.383 29.700 0.146 0.000 1.048 45 E HN -0.443 7.834 8.360 0.170 0.185 0.485 46 L N 1.692 123.041 121.223 0.211 0.000 3.100 46 L HA 0.371 4.874 4.340 0.271 0.000 0.259 46 L C -1.442 175.577 176.870 0.248 0.000 1.316 46 L CA -2.440 52.569 54.840 0.282 0.000 0.992 46 L CB 0.229 42.525 42.059 0.396 0.000 1.390 46 L HN -0.743 7.490 8.230 0.209 0.123 0.550 47 P HA 0.109 4.608 4.420 0.132 0.000 0.302 47 P C -1.340 175.964 177.300 0.007 0.000 1.301 47 P CA -0.857 62.300 63.100 0.096 0.000 0.745 47 P CB 0.655 32.402 31.700 0.077 0.000 1.331 48 V N 0.566 120.414 119.914 -0.111 0.000 2.610 48 V HA 0.264 4.323 4.120 -0.102 0.000 0.298 48 V C 0.164 176.081 176.094 -0.295 0.000 1.067 48 V CA -1.149 61.062 62.300 -0.149 0.000 0.894 48 V CB 2.001 33.762 31.823 -0.103 0.000 1.015 48 V HN -0.211 7.876 8.190 -0.172 0.000 0.432 49 L N 8.092 129.164 121.223 -0.253 0.000 1.976 49 L HA -0.251 3.854 4.340 -0.392 0.000 0.223 49 L C -0.524 176.163 176.870 -0.305 0.000 1.081 49 L CA 1.524 56.188 54.840 -0.293 0.000 0.784 49 L CB 0.409 42.364 42.059 -0.172 0.000 0.896 49 L HN 0.227 8.352 8.230 -0.174 0.000 0.438 50 A N -5.279 117.425 122.820 -0.193 0.000 3.277 50 A HA -0.253 4.007 4.320 -0.101 0.000 0.654 50 A C -1.544 175.971 177.584 -0.114 0.000 0.495 50 A CA -0.178 51.774 52.037 -0.143 0.000 0.233 50 A CB -1.686 17.220 19.000 -0.158 0.000 3.774 50 A HN -0.259 7.798 8.150 -0.154 0.000 0.535 51 P HA -0.141 4.252 4.420 -0.045 0.000 0.220 51 P C -1.202 176.075 177.300 -0.038 0.000 1.144 51 P CA 1.442 64.517 63.100 -0.042 0.000 0.800 51 P CB 0.236 31.925 31.700 -0.018 0.000 0.772 52 Q N -7.425 112.355 119.800 -0.035 0.000 3.077 52 Q HA -0.036 4.301 4.340 -0.004 0.000 0.317 52 Q C -2.020 174.033 176.000 0.088 0.000 0.864 52 Q CA -0.747 55.064 55.803 0.013 0.000 0.808 52 Q CB 1.394 30.146 28.738 0.022 0.000 1.532 52 Q HN -0.879 7.304 8.270 -0.052 0.056 0.474 53 W N -0.104 121.205 121.300 0.016 0.000 3.705 53 W HA 0.312 4.993 4.660 0.034 0.000 0.224 53 W C -0.954 175.604 176.519 0.065 0.000 0.882 53 W CA 1.170 58.535 57.345 0.033 0.000 2.321 53 W CB 1.034 30.506 29.460 0.020 0.000 1.107 53 W HN -0.003 8.331 8.180 0.256 0.000 0.692 54 E N -2.432 117.950 120.200 0.303 0.000 3.914 54 E HA 0.073 4.609 4.350 0.311 0.000 0.241 54 E C -0.213 176.472 176.600 0.142 0.000 1.127 54 E CA -0.528 55.999 56.400 0.213 0.000 1.369 54 E CB -0.402 29.357 29.700 0.099 0.000 1.231 54 E HN -0.392 8.156 8.360 0.314 0.000 0.396 55 G N -0.452 108.384 108.800 0.060 0.000 2.484 55 G HA2 -0.229 3.742 3.960 0.018 0.000 0.218 55 G HA3 -0.229 3.677 3.960 -0.090 0.000 0.218 55 G C 0.428 175.306 174.900 -0.035 0.000 1.130 55 G CA 0.325 45.410 45.100 -0.025 0.000 0.784 55 G HN 0.236 8.552 8.290 0.043 0.000 0.543 56 Y N 0.241 120.560 120.300 0.031 0.000 1.930 56 Y HA -0.185 4.376 4.550 0.019 0.000 0.241 56 Y C 0.692 176.599 175.900 0.012 0.000 1.104 56 Y CA 1.943 60.055 58.100 0.020 0.000 1.060 56 Y CB -0.213 38.258 38.460 0.019 0.000 0.932 56 Y HN -0.354 7.893 8.280 0.002 0.034 0.496 57 D N -4.083 116.438 120.400 0.202 0.000 2.569 57 D HA 0.222 4.912 4.640 0.082 0.000 0.266 57 D C -0.802 175.534 176.300 0.059 0.000 1.164 57 D CA -0.643 53.416 54.000 0.098 0.000 1.071 57 D CB 1.627 42.470 40.800 0.070 0.000 1.183 57 D HN -0.480 8.044 8.370 0.258 0.000 0.613 58 E N -2.290 117.928 120.200 0.031 0.000 2.572 58 E HA 0.065 4.420 4.350 0.008 0.000 0.220 58 E C 0.344 176.942 176.600 -0.002 0.000 0.945 58 E CA -0.535 55.871 56.400 0.011 0.000 1.070 58 E CB 1.064 30.769 29.700 0.008 0.000 1.090 58 E HN 0.148 8.526 8.360 0.029 0.000 0.506 59 L N 0.231 121.455 121.223 0.002 0.000 2.776 59 L HA 0.053 4.387 4.340 -0.009 0.000 0.165 59 L C 0.615 177.476 176.870 -0.015 0.000 1.145 59 L CA 0.392 55.228 54.840 -0.006 0.000 1.230 59 L CB 0.461 42.518 42.059 -0.003 0.000 2.044 59 L HN -0.681 7.556 8.230 0.012 0.000 0.484 60 Q N -2.438 117.352 119.800 -0.016 0.000 2.214 60 Q HA 0.061 4.384 4.340 -0.030 0.000 0.168 60 Q C -0.084 175.904 176.000 -0.020 0.000 1.047 60 Q CA 0.705 56.495 55.803 -0.022 0.000 1.102 60 Q CB 0.573 29.298 28.738 -0.021 0.000 1.458 60 Q HN -0.001 8.261 8.270 -0.013 0.000 0.561 61 T N -0.696 113.844 114.554 -0.023 0.000 3.209 61 T HA 0.055 4.393 4.350 -0.021 0.000 0.295 61 T C -1.703 172.984 174.700 -0.021 0.000 0.977 61 T CA 0.058 62.145 62.100 -0.022 0.000 0.922 61 T CB 0.471 69.326 68.868 -0.022 0.000 1.152 61 T HN -0.210 8.016 8.240 -0.024 0.000 0.527 62 D N 1.235 121.623 120.400 -0.021 0.000 3.003 62 D HA -0.237 4.390 4.640 -0.021 0.000 0.223 62 D C 0.537 176.825 176.300 -0.021 0.000 1.204 62 D CA 0.297 54.284 54.000 -0.021 0.000 0.828 62 D CB 0.133 40.921 40.800 -0.021 0.000 0.918 62 D HN -0.237 8.121 8.370 -0.020 0.000 0.401 63 G N -0.413 108.375 108.800 -0.020 0.000 2.486 63 G HA2 -0.124 3.830 3.960 -0.010 0.000 0.272 63 G HA3 -0.124 3.830 3.960 -0.010 0.000 0.272 63 G C -0.136 174.746 174.900 -0.031 0.000 1.426 63 G CA -0.514 44.576 45.100 -0.016 0.000 1.058 63 G HN -0.227 8.051 8.290 -0.020 0.000 0.531 64 N N -0.633 118.043 118.700 -0.041 0.000 2.094 64 N HA -0.359 4.338 4.740 -0.073 0.000 0.191 64 N C 0.087 175.535 175.510 -0.105 0.000 1.023 64 N CA 1.663 54.657 53.050 -0.093 0.000 0.857 64 N CB 0.033 38.404 38.487 -0.192 0.000 1.013 64 N HN 0.186 8.555 8.380 -0.017 0.000 0.426 65 R N -2.199 118.248 120.500 -0.088 0.000 1.082 65 R HA -0.264 4.045 4.340 -0.052 0.000 0.424 65 R C -1.399 174.846 176.300 -0.093 0.000 1.359 65 R CA -0.125 55.933 56.100 -0.070 0.000 1.252 65 R CB 0.640 30.909 30.300 -0.052 0.000 3.555 65 R HN -0.156 8.062 8.270 -0.072 0.009 0.502 66 S N 1.208 116.868 115.700 -0.066 0.000 3.976 66 S HA -0.109 4.338 4.470 -0.038 0.000 0.652 66 S C -0.585 173.971 174.600 -0.073 0.000 1.522 66 S CA 0.422 58.585 58.200 -0.060 0.000 1.667 66 S CB 0.257 63.419 63.200 -0.064 0.000 0.332 66 S HN -0.116 8.165 8.310 -0.047 0.000 1.594 67 S N 1.545 117.220 115.700 -0.042 0.000 2.731 67 S HA -0.135 4.346 4.470 0.018 0.000 0.249 67 S C -1.109 173.467 174.600 -0.039 0.000 1.390 67 S CA 1.182 59.377 58.200 -0.009 0.000 0.964 67 S CB 0.407 63.615 63.200 0.012 0.000 0.965 67 S HN 0.151 8.442 8.310 -0.032 0.000 0.579 68 H N 0.555 119.627 119.070 0.004 0.000 2.991 68 H HA 0.187 4.745 4.556 0.003 0.000 0.304 68 H C -0.814 174.518 175.328 0.005 0.000 1.040 68 H CA -0.293 55.758 56.048 0.005 0.000 1.410 68 H CB 1.157 30.923 29.762 0.007 0.000 1.529 68 H HN 0.199 8.556 8.280 0.129 0.000 0.509 69 S N 5.812 121.602 115.700 0.151 0.000 3.483 69 S HA 0.074 4.592 4.470 0.080 0.000 0.274 69 S C 0.353 175.018 174.600 0.108 0.000 1.289 69 S CA -0.608 57.650 58.200 0.097 0.000 0.938 69 S CB -0.469 62.761 63.200 0.051 0.000 1.453 69 S HN 0.483 8.850 8.310 0.095 0.000 0.494 70 R N 6.180 126.734 120.500 0.090 0.000 2.142 70 R HA 0.125 4.502 4.340 0.062 0.000 0.204 70 R C 0.269 176.585 176.300 0.027 0.000 1.059 70 R CA -0.577 55.552 56.100 0.048 0.000 1.055 70 R CB -0.051 30.244 30.300 -0.008 0.000 0.976 70 R HN -0.167 8.154 8.270 0.084 0.000 0.483 71 L N -2.381 118.857 121.223 0.024 0.000 4.137 71 L HA -0.428 3.923 4.340 0.018 0.000 0.421 71 L C -0.269 176.608 176.870 0.012 0.000 1.162 71 L CA 0.184 55.035 54.840 0.018 0.000 0.978 71 L CB -1.097 40.974 42.059 0.019 0.000 1.957 71 L HN 0.244 8.491 8.230 0.029 0.000 0.978 72 G N -5.302 103.501 108.800 0.006 0.000 2.166 72 G HA2 -0.423 3.535 3.960 -0.003 0.000 0.260 72 G HA3 -0.423 3.541 3.960 0.007 0.000 0.260 72 G C 0.373 175.275 174.900 0.004 0.000 0.986 72 G CA 0.778 45.879 45.100 0.003 0.000 0.683 72 G HN 0.245 8.492 8.290 0.003 0.044 0.527 73 R N -1.282 119.222 120.500 0.006 0.000 2.466 73 R HA 0.254 4.597 4.340 0.005 0.000 0.279 73 R C 0.004 176.307 176.300 0.005 0.000 0.976 73 R CA -0.899 55.205 56.100 0.007 0.000 1.081 73 R CB 0.399 30.706 30.300 0.011 0.000 1.215 73 R HN 0.322 8.404 8.270 0.009 0.193 0.546 74 I N -4.789 115.780 120.570 -0.000 0.000 4.288 74 I HA 0.134 4.306 4.170 0.003 0.000 0.331 74 I C 0.900 177.009 176.117 -0.013 0.000 1.322 74 I CA -0.322 60.977 61.300 -0.003 0.000 1.149 74 I CB 0.438 38.436 38.000 -0.003 0.000 1.112 74 I HN -0.416 7.701 8.210 -0.004 0.091 0.403 75 E N 0.834 121.024 120.200 -0.016 0.000 2.481 75 E HA -0.178 4.158 4.350 -0.023 0.000 0.195 75 E C -0.361 176.225 176.600 -0.024 0.000 1.047 75 E CA 1.752 58.140 56.400 -0.019 0.000 0.867 75 E CB 0.162 29.854 29.700 -0.014 0.000 0.858 75 E HN -0.275 8.078 8.360 -0.012 0.000 0.513 76 A N -2.932 119.876 122.820 -0.019 0.000 2.842 76 A HA 0.213 4.511 4.320 -0.037 0.000 0.298 76 A C -0.962 176.610 177.584 -0.021 0.000 1.293 76 A CA -0.342 51.680 52.037 -0.024 0.000 0.959 76 A CB -0.433 18.558 19.000 -0.017 0.000 1.119 76 A HN -0.078 8.002 8.150 -0.013 0.062 0.564 77 D N -1.018 119.371 120.400 -0.020 0.000 2.388 77 D HA -0.055 4.578 4.640 -0.012 0.000 0.208 77 D C -0.393 175.896 176.300 -0.019 0.000 1.035 77 D CA 0.167 54.158 54.000 -0.015 0.000 0.875 77 D CB 1.326 42.121 40.800 -0.008 0.000 0.984 77 D HN -0.216 8.055 8.370 -0.022 0.085 0.508 78 S N -3.002 112.682 115.700 -0.027 0.000 3.268 78 S HA -0.369 4.081 4.470 -0.033 0.000 0.347 78 S C -0.174 174.412 174.600 -0.022 0.000 0.925 78 S CA 1.047 59.229 58.200 -0.030 0.000 1.286 78 S CB -1.388 61.788 63.200 -0.039 0.000 0.890 78 S HN 0.127 8.419 8.310 -0.030 0.000 0.495 79 E N 0.274 120.464 120.200 -0.017 0.000 2.192 79 E HA -0.017 4.325 4.350 -0.013 0.000 0.196 79 E C -0.186 176.405 176.600 -0.014 0.000 0.922 79 E CA 0.267 56.659 56.400 -0.013 0.000 0.924 79 E CB 1.246 30.940 29.700 -0.009 0.000 0.911 79 E HN 0.089 8.441 8.360 -0.017 -0.002 0.478 80 S N 1.481 117.173 115.700 -0.013 0.000 2.505 80 S HA 0.052 4.514 4.470 -0.012 0.000 0.276 80 S C 1.196 175.784 174.600 -0.020 0.000 1.274 80 S CA -0.071 58.120 58.200 -0.014 0.000 1.053 80 S CB 0.898 64.092 63.200 -0.011 0.000 0.919 80 S HN 0.038 8.341 8.310 -0.012 0.000 0.490 81 Q N 5.499 125.287 119.800 -0.021 0.000 2.142 81 Q HA -0.502 3.823 4.340 -0.025 0.000 0.213 81 Q C 2.169 178.149 176.000 -0.034 0.000 1.004 81 Q CA 4.495 60.282 55.803 -0.026 0.000 0.883 81 Q CB -0.594 28.128 28.738 -0.026 0.000 0.939 81 Q HN 0.818 9.078 8.270 -0.017 0.000 0.413 82 E N -2.485 117.695 120.200 -0.034 0.000 2.118 82 E HA -0.340 3.976 4.350 -0.057 0.000 0.195 82 E C 2.669 179.245 176.600 -0.039 0.000 0.992 82 E CA 3.187 59.561 56.400 -0.043 0.000 0.804 82 E CB -0.728 28.951 29.700 -0.035 0.000 0.741 82 E HN 0.369 8.708 8.360 -0.027 0.005 0.458 83 D N -0.403 119.979 120.400 -0.030 0.000 2.178 83 D HA -0.153 4.472 4.640 -0.026 0.000 0.202 83 D C 2.548 178.829 176.300 -0.032 0.000 0.974 83 D CA 2.933 56.917 54.000 -0.028 0.000 0.841 83 D CB 0.003 40.789 40.800 -0.023 0.000 0.953 83 D HN 0.003 8.227 8.370 -0.026 0.131 0.478 84 I N 0.552 121.103 120.570 -0.032 0.000 2.141 84 I HA -0.569 3.579 4.170 -0.038 0.000 0.236 84 I C 1.660 177.759 176.117 -0.030 0.000 1.071 84 I CA 4.430 65.710 61.300 -0.033 0.000 1.345 84 I CB -0.022 37.961 38.000 -0.029 0.000 1.066 84 I HN -0.211 7.855 8.210 -0.031 0.125 0.406 85 I N -0.957 119.591 120.570 -0.036 0.000 2.300 85 I HA -0.571 3.587 4.170 -0.021 0.000 0.252 85 I C 2.235 178.325 176.117 -0.046 0.000 1.119 85 I CA 4.504 65.778 61.300 -0.043 0.000 1.384 85 I CB -0.639 37.316 38.000 -0.075 0.000 1.062 85 I HN -0.015 8.171 8.210 -0.039 0.000 0.426 86 R N -1.288 119.185 120.500 -0.046 0.000 2.061 86 R HA -0.392 3.915 4.340 -0.054 0.000 0.230 86 R C 2.022 178.326 176.300 0.006 0.000 1.140 86 R CA 4.335 60.416 56.100 -0.031 0.000 0.940 86 R CB -0.211 30.074 30.300 -0.024 0.000 0.839 86 R HN -0.446 7.769 8.270 -0.046 0.027 0.429 87 N N -0.760 117.935 118.700 -0.008 0.000 2.223 87 N HA -0.279 4.464 4.740 0.005 0.000 0.185 87 N C 2.452 177.964 175.510 0.004 0.000 1.016 87 N CA 3.439 56.477 53.050 -0.019 0.000 0.863 87 N CB 0.089 38.531 38.487 -0.075 0.000 0.983 87 N HN -0.492 7.875 8.380 -0.023 0.000 0.429 88 I N -0.593 119.991 120.570 0.023 0.000 2.252 88 I HA -0.480 3.728 4.170 0.062 0.000 0.245 88 I C 0.899 177.125 176.117 0.182 0.000 1.102 88 I CA 3.699 65.046 61.300 0.079 0.000 1.385 88 I CB -0.176 37.859 38.000 0.059 0.000 1.064 88 I HN 0.428 8.615 8.210 0.004 0.026 0.414 89 A N 0.047 122.993 122.820 0.210 0.000 1.855 89 A HA -0.236 4.471 4.320 0.645 0.000 0.215 89 A C 1.842 179.619 177.584 0.321 0.000 1.191 89 A CA 2.746 55.035 52.037 0.420 0.000 0.613 89 A CB -0.614 18.525 19.000 0.231 0.000 0.829 89 A HN -0.361 7.861 8.150 0.120 0.000 0.442 90 R N -1.917 118.711 120.500 0.212 0.000 2.159 90 R HA -0.371 4.075 4.340 0.177 0.000 0.237 90 R C 2.253 178.672 176.300 0.199 0.000 1.131 90 R CA 2.859 59.068 56.100 0.180 0.000 0.982 90 R CB -0.197 30.185 30.300 0.137 0.000 0.868 90 R HN -0.365 8.000 8.270 0.159 0.000 0.453 91 H N 0.420 119.531 119.070 0.068 0.000 2.290 91 H HA -0.180 4.397 4.556 0.034 0.000 0.306 91 H C 2.340 177.685 175.328 0.028 0.000 1.049 91 H CA 3.017 59.090 56.048 0.041 0.000 1.288 91 H CB 0.023 29.805 29.762 0.034 0.000 1.406 91 H HN -0.625 7.697 8.280 0.277 0.124 0.515 92 L N -1.826 119.471 121.223 0.123 0.000 2.089 92 L HA -0.386 3.935 4.340 -0.031 0.000 0.213 92 L C 2.515 179.362 176.870 -0.038 0.000 1.079 92 L CA 2.956 57.800 54.840 0.006 0.000 0.758 92 L CB -1.246 40.813 42.059 -0.000 0.000 0.891 92 L HN -0.351 8.009 8.230 0.217 0.000 0.433 93 A N -3.288 119.533 122.820 0.001 0.000 2.015 93 A HA -0.393 3.870 4.320 -0.094 0.000 0.219 93 A C 2.010 179.591 177.584 -0.006 0.000 1.163 93 A CA 2.916 54.943 52.037 -0.017 0.000 0.646 93 A CB -0.802 18.248 19.000 0.084 0.000 0.806 93 A HN 0.350 8.534 8.150 0.078 0.013 0.448 94 Q N -1.040 118.760 119.800 0.000 0.000 2.016 94 Q HA -0.285 4.058 4.340 0.004 0.000 0.200 94 Q C 2.332 178.302 176.000 -0.049 0.000 0.978 94 Q CA 3.430 59.221 55.803 -0.019 0.000 0.833 94 Q CB 0.178 28.895 28.738 -0.035 0.000 0.895 94 Q HN -0.081 8.025 8.270 0.018 0.174 0.427 95 V N -0.318 119.547 119.914 -0.082 0.000 2.332 95 V HA -0.355 3.720 4.120 -0.075 0.000 0.248 95 V C 2.449 178.510 176.094 -0.054 0.000 1.055 95 V CA 3.557 65.811 62.300 -0.077 0.000 1.038 95 V CB -0.643 31.125 31.823 -0.091 0.000 0.651 95 V HN -0.396 7.733 8.190 -0.102 0.000 0.450 96 G N -2.083 106.684 108.800 -0.055 0.000 2.450 96 G HA2 -0.414 3.518 3.960 -0.046 0.000 0.220 96 G HA3 -0.414 3.509 3.960 -0.061 0.000 0.220 96 G C 0.958 175.837 174.900 -0.034 0.000 1.130 96 G CA 2.096 47.166 45.100 -0.049 0.000 0.760 96 G HN -0.187 8.066 8.290 -0.062 0.000 0.557 97 D N 1.351 121.735 120.400 -0.027 0.000 2.084 97 D HA -0.253 4.380 4.640 -0.011 0.000 0.196 97 D C 2.197 178.489 176.300 -0.013 0.000 0.985 97 D CA 3.307 57.299 54.000 -0.013 0.000 0.826 97 D CB -0.013 40.785 40.800 -0.003 0.000 0.978 97 D HN -0.581 7.652 8.370 -0.030 0.119 0.456 98 S N 0.368 116.057 115.700 -0.018 0.000 2.374 98 S HA -0.376 4.088 4.470 -0.010 0.000 0.227 98 S C 1.966 176.557 174.600 -0.015 0.000 1.037 98 S CA 3.595 61.786 58.200 -0.016 0.000 1.024 98 S CB -0.169 63.017 63.200 -0.023 0.000 0.861 98 S HN -0.332 7.964 8.310 -0.023 0.000 0.456 99 M N -0.250 119.338 119.600 -0.019 0.000 2.492 99 M HA -0.083 4.389 4.480 -0.015 0.000 0.262 99 M C 1.080 177.373 176.300 -0.011 0.000 1.090 99 M CA 2.466 57.755 55.300 -0.017 0.000 1.110 99 M CB 0.362 32.948 32.600 -0.022 0.000 1.407 99 M HN -0.538 7.729 8.290 -0.025 0.008 0.470 100 D N 0.416 120.810 120.400 -0.010 0.000 2.240 100 D HA -0.112 4.526 4.640 -0.002 0.000 0.206 100 D C 1.670 177.973 176.300 0.005 0.000 0.963 100 D CA 2.318 56.317 54.000 -0.003 0.000 0.863 100 D CB 0.159 40.957 40.800 -0.004 0.000 0.973 100 D HN -0.070 8.087 8.370 -0.013 0.205 0.501 101 R N -1.890 118.611 120.500 0.002 0.000 2.198 101 R HA -0.394 3.949 4.340 0.004 0.000 0.258 101 R C 0.957 177.262 176.300 0.009 0.000 1.173 101 R CA 3.132 59.234 56.100 0.004 0.000 0.991 101 R CB 0.210 30.510 30.300 -0.000 0.000 0.879 101 R HN -0.058 8.210 8.270 -0.002 0.000 0.460 102 S N -1.202 114.502 115.700 0.007 0.000 2.945 102 S HA 0.040 4.517 4.470 0.012 0.000 0.227 102 S C -0.318 174.291 174.600 0.015 0.000 1.353 102 S CA -0.998 57.208 58.200 0.010 0.000 1.236 102 S CB -1.054 62.148 63.200 0.004 0.000 1.069 102 S HN -0.474 7.799 8.310 0.003 0.040 0.509 103 I N -0.337 120.249 120.570 0.027 0.000 3.076 103 I HA -0.183 4.000 4.170 0.022 0.000 0.321 103 I C -1.260 174.869 176.117 0.021 0.000 1.216 103 I CA -0.897 60.422 61.300 0.031 0.000 1.460 103 I CB -0.759 37.281 38.000 0.067 0.000 1.313 103 I HN -0.766 7.386 8.210 0.032 0.077 0.546 104 P HA 0.115 4.538 4.420 0.004 0.000 0.286 104 P C -2.091 175.211 177.300 0.003 0.000 1.278 104 P CA -1.207 61.895 63.100 0.004 0.000 0.785 104 P CB -0.773 30.927 31.700 -0.001 0.000 1.269 105 P HA -0.195 4.226 4.420 0.001 0.000 0.257 105 P C -0.675 176.618 177.300 -0.012 0.000 1.269 105 P CA 0.422 63.520 63.100 -0.003 0.000 1.122 105 P CB -1.258 30.440 31.700 -0.003 0.000 1.285 106 G N 4.350 113.142 108.800 -0.013 0.000 2.195 106 G HA2 -0.320 3.611 3.960 -0.048 0.000 0.256 106 G HA3 -0.320 3.618 3.960 -0.037 0.000 0.256 106 G C -1.237 173.632 174.900 -0.052 0.000 0.817 106 G CA 0.752 45.829 45.100 -0.038 0.000 1.235 106 G HN -0.051 8.238 8.290 -0.001 0.000 0.358 107 L N 2.134 123.323 121.223 -0.056 0.000 2.670 107 L HA 0.195 4.505 4.340 -0.050 0.000 0.177 107 L C 0.917 177.738 176.870 -0.082 0.000 1.181 107 L CA 0.615 55.423 54.840 -0.054 0.000 0.856 107 L CB 1.187 43.228 42.059 -0.029 0.000 1.205 107 L HN -0.410 7.791 8.230 -0.048 0.000 0.506 108 V N -3.031 116.836 119.914 -0.078 0.000 2.252 108 V HA -0.564 3.524 4.120 -0.053 0.000 0.255 108 V C 1.396 177.385 176.094 -0.175 0.000 1.071 108 V CA 3.623 65.868 62.300 -0.091 0.000 1.050 108 V CB -0.865 30.938 31.823 -0.033 0.000 0.654 108 V HN 0.258 8.420 8.190 -0.047 0.000 0.448 109 N N 0.642 119.145 118.700 -0.329 0.000 2.055 109 N HA -0.499 3.968 4.740 -0.455 0.000 0.200 109 N C 2.230 177.641 175.510 -0.165 0.000 1.037 109 N CA 4.270 57.112 53.050 -0.346 0.000 0.881 109 N CB -0.735 37.556 38.487 -0.326 0.000 1.075 109 N HN 0.084 8.247 8.380 -0.366 -0.002 0.470 110 G N -0.527 108.201 108.800 -0.119 0.000 2.529 110 G HA2 -0.390 3.529 3.960 -0.068 0.000 0.219 110 G HA3 -0.390 3.530 3.960 -0.066 0.000 0.219 110 G C 1.336 176.197 174.900 -0.065 0.000 1.177 110 G CA 1.944 46.998 45.100 -0.077 0.000 0.773 110 G HN -0.381 7.834 8.290 -0.124 0.000 0.573 111 L N 1.835 123.018 121.223 -0.065 0.000 2.081 111 L HA -0.328 3.983 4.340 -0.048 0.000 0.212 111 L C 2.197 179.042 176.870 -0.041 0.000 1.080 111 L CA 2.695 57.505 54.840 -0.050 0.000 0.754 111 L CB -0.936 41.096 42.059 -0.045 0.000 0.893 111 L HN -0.532 7.654 8.230 -0.073 0.000 0.433 112 A N -2.556 120.233 122.820 -0.052 0.000 2.014 112 A HA -0.235 4.074 4.320 -0.018 0.000 0.218 112 A C 2.083 179.650 177.584 -0.029 0.000 1.163 112 A CA 2.958 54.975 52.037 -0.034 0.000 0.652 112 A CB -0.501 18.476 19.000 -0.039 0.000 0.808 112 A HN 0.631 8.519 8.150 -0.077 0.216 0.449 113 L N -2.701 118.497 121.223 -0.042 0.000 2.179 113 L HA -0.299 4.027 4.340 -0.023 0.000 0.208 113 L C 2.493 179.348 176.870 -0.024 0.000 1.096 113 L CA 2.368 57.189 54.840 -0.032 0.000 0.779 113 L CB -0.280 41.756 42.059 -0.039 0.000 0.922 113 L HN -0.402 7.520 8.230 -0.058 0.274 0.443 114 Q N -1.173 118.610 119.800 -0.029 0.000 2.062 114 Q HA -0.193 4.133 4.340 -0.023 0.000 0.196 114 Q C 2.071 178.061 176.000 -0.016 0.000 0.967 114 Q CA 2.857 58.644 55.803 -0.026 0.000 0.832 114 Q CB 0.314 29.030 28.738 -0.037 0.000 0.899 114 Q HN 0.303 8.342 8.270 -0.036 0.210 0.442 115 L N -1.792 119.423 121.223 -0.013 0.000 1.988 115 L HA -0.339 4.005 4.340 0.006 0.000 0.207 115 L C 1.291 178.166 176.870 0.009 0.000 1.071 115 L CA 2.493 57.334 54.840 0.003 0.000 0.744 115 L CB 0.177 42.240 42.059 0.008 0.000 0.893 115 L HN 0.188 8.290 8.230 -0.019 0.117 0.433 116 R N -1.856 118.647 120.500 0.004 0.000 2.234 116 R HA -0.544 3.802 4.340 0.011 0.000 0.241 116 R C 1.194 177.501 176.300 0.010 0.000 1.115 116 R CA 2.980 59.084 56.100 0.007 0.000 0.913 116 R CB -0.335 29.966 30.300 0.003 0.000 0.911 116 R HN -0.314 7.846 8.270 -0.002 0.109 0.430 117 N N -0.155 118.549 118.700 0.005 0.000 2.782 117 N HA -0.289 4.453 4.740 0.004 0.000 0.274 117 N C -0.416 175.101 175.510 0.012 0.000 0.962 117 N CA 1.207 54.261 53.050 0.007 0.000 0.848 117 N CB -0.618 37.873 38.487 0.006 0.000 0.923 117 N HN -0.177 8.203 8.380 0.001 0.000 0.575 118 T N -2.968 111.593 114.554 0.011 0.000 4.020 118 T HA -0.433 3.925 4.350 0.013 0.000 0.128 118 T C 0.780 175.491 174.700 0.018 0.000 1.679 118 T CA 2.205 64.313 62.100 0.013 0.000 0.878 118 T CB -1.077 67.797 68.868 0.011 0.000 1.020 118 T HN -0.337 7.904 8.240 0.009 0.004 0.391 119 S N 1.490 117.200 115.700 0.018 0.000 2.603 119 S HA -0.130 4.357 4.470 0.028 0.000 0.220 119 S C 1.261 175.876 174.600 0.023 0.000 0.967 119 S CA 1.246 59.459 58.200 0.022 0.000 0.920 119 S CB -0.638 62.573 63.200 0.019 0.000 0.773 119 S HN 0.023 8.342 8.310 0.015 0.000 0.529 120 R N 0.330 120.842 120.500 0.020 0.000 2.115 120 R HA -0.218 4.133 4.340 0.018 0.000 0.226 120 R C 1.696 178.011 176.300 0.025 0.000 1.100 120 R CA 2.212 58.323 56.100 0.019 0.000 0.980 120 R CB -0.137 30.170 30.300 0.013 0.000 0.875 120 R HN -0.056 8.156 8.270 0.017 0.068 0.445 121 S N 1.270 116.987 115.700 0.029 0.000 2.320 121 S HA -0.450 4.131 4.470 0.029 -0.093 0.320 121 S C 2.094 176.724 174.600 0.050 0.000 1.090 121 S CA 3.702 61.925 58.200 0.039 0.000 1.631 121 S CB -0.858 62.372 63.200 0.050 0.000 1.389 121 S HN 0.259 8.474 8.310 0.025 0.110 0.474 122 E N 0.241 120.480 120.200 0.065 0.000 2.200 122 E HA -0.487 3.920 4.350 0.096 0.000 0.211 122 E C 2.764 179.396 176.600 0.054 0.000 1.048 122 E CA 2.997 59.438 56.400 0.069 0.000 0.851 122 E CB -0.402 29.326 29.700 0.048 0.000 0.747 122 E HN 0.412 8.814 8.360 0.069 0.000 0.462 123 E N -2.127 118.097 120.200 0.039 0.000 2.057 123 E HA -0.087 4.287 4.350 0.039 0.000 0.191 123 E C 1.945 178.561 176.600 0.028 0.000 0.959 123 E CA 2.609 59.029 56.400 0.033 0.000 0.828 123 E CB 0.299 30.013 29.700 0.024 0.000 0.800 123 E HN 0.210 8.479 8.360 0.035 0.112 0.460 124 D N -0.609 119.803 120.400 0.020 0.000 2.158 124 D HA -0.295 4.349 4.640 0.007 0.000 0.197 124 D C 2.161 178.464 176.300 0.005 0.000 0.995 124 D CA 3.207 57.213 54.000 0.010 0.000 0.846 124 D CB 0.262 41.067 40.800 0.008 0.000 0.941 124 D HN 0.246 8.497 8.370 0.021 0.132 0.456 125 R N -2.323 118.186 120.500 0.014 0.000 2.057 125 R HA -0.297 4.035 4.340 -0.012 0.000 0.229 125 R C 1.594 177.890 176.300 -0.006 0.000 1.136 125 R CA 3.385 59.489 56.100 0.005 0.000 0.952 125 R CB 0.186 30.505 30.300 0.032 0.000 0.848 125 R HN 0.458 8.570 8.270 0.026 0.173 0.430 126 N N -0.941 117.780 118.700 0.035 0.000 2.037 126 N HA -0.322 4.467 4.740 0.082 0.000 0.196 126 N C 2.199 177.728 175.510 0.033 0.000 1.034 126 N CA 3.411 56.503 53.050 0.069 0.000 0.861 126 N CB -0.323 38.231 38.487 0.111 0.000 1.039 126 N HN -0.565 7.844 8.380 0.049 0.000 0.427 127 R N -3.823 116.693 120.500 0.026 0.000 2.280 127 R HA -0.191 4.169 4.340 0.033 0.000 0.207 127 R C 1.197 177.478 176.300 -0.031 0.000 1.043 127 R CA 1.966 58.073 56.100 0.012 0.000 1.006 127 R CB -0.619 29.689 30.300 0.015 0.000 0.885 127 R HN 0.125 8.413 8.270 0.029 0.000 0.467 128 D N 0.890 121.261 120.400 -0.049 0.000 2.107 128 D HA -0.158 4.448 4.640 -0.056 0.000 0.204 128 D C 1.976 178.200 176.300 -0.126 0.000 0.978 128 D CA 3.245 57.203 54.000 -0.070 0.000 0.852 128 D CB 0.324 41.092 40.800 -0.054 0.000 1.008 128 D HN -0.489 7.725 8.370 -0.034 0.136 0.458 129 L N -0.671 120.436 121.223 -0.194 0.000 2.027 129 L HA -0.245 3.952 4.340 -0.239 0.000 0.206 129 L C 2.268 178.868 176.870 -0.451 0.000 1.074 129 L CA 3.261 57.906 54.840 -0.326 0.000 0.745 129 L CB -0.959 40.844 42.059 -0.426 0.000 0.898 129 L HN 0.487 8.619 8.230 -0.164 0.000 0.433 130 A N -2.274 120.240 122.820 -0.511 0.000 1.917 130 A HA -0.426 3.563 4.320 -0.551 0.000 0.219 130 A C 2.096 179.621 177.584 -0.099 0.000 1.182 130 A CA 3.560 55.422 52.037 -0.290 0.000 0.633 130 A CB -0.992 18.105 19.000 0.161 0.000 0.819 130 A HN 0.135 8.031 8.150 -0.423 0.000 0.448 131 T N 0.057 114.556 114.554 -0.091 0.000 2.851 131 T HA -0.236 4.092 4.350 -0.035 0.000 0.262 131 T C 1.847 176.496 174.700 -0.085 0.000 1.043 131 T CA 3.831 65.894 62.100 -0.061 0.000 1.140 131 T CB -0.034 68.807 68.868 -0.045 0.000 0.872 131 T HN -0.702 7.290 8.240 -0.105 0.185 0.446 132 A N 1.862 124.616 122.820 -0.111 0.000 1.972 132 A HA -0.240 4.026 4.320 -0.090 0.000 0.219 132 A C 1.882 179.394 177.584 -0.120 0.000 1.169 132 A CA 2.980 54.952 52.037 -0.108 0.000 0.635 132 A CB -0.833 18.102 19.000 -0.108 0.000 0.810 132 A HN 0.513 8.404 8.150 -0.126 0.182 0.446 133 L N -0.990 120.145 121.223 -0.147 0.000 1.950 133 L HA -0.494 3.779 4.340 -0.111 0.000 0.210 133 L C 2.060 178.872 176.870 -0.096 0.000 1.079 133 L CA 3.488 58.254 54.840 -0.123 0.000 0.754 133 L CB -0.278 41.692 42.059 -0.148 0.000 0.889 133 L HN 0.780 8.759 8.230 -0.185 0.140 0.433 134 E N -2.389 117.776 120.200 -0.059 0.000 2.284 134 E HA -0.488 3.835 4.350 -0.046 0.000 0.200 134 E C 2.809 179.345 176.600 -0.106 0.000 1.008 134 E CA 3.103 59.470 56.400 -0.055 0.000 0.829 134 E CB -0.400 29.290 29.700 -0.017 0.000 0.744 134 E HN -0.467 7.868 8.360 -0.042 0.000 0.491 135 Q N -1.109 118.621 119.800 -0.117 0.000 1.965 135 Q HA -0.283 3.987 4.340 -0.116 0.000 0.200 135 Q C 2.474 178.335 176.000 -0.232 0.000 0.981 135 Q CA 3.038 58.759 55.803 -0.137 0.000 0.834 135 Q CB 0.063 28.737 28.738 -0.107 0.000 0.900 135 Q HN -0.573 7.490 8.270 -0.103 0.145 0.426 136 L N -3.193 117.868 121.223 -0.270 0.000 2.083 136 L HA -0.227 3.833 4.340 -0.466 0.000 0.209 136 L C 2.994 179.232 176.870 -1.054 0.000 1.083 136 L CA 2.500 57.036 54.840 -0.505 0.000 0.752 136 L CB -0.418 41.500 42.059 -0.236 0.000 0.899 136 L HN -0.474 7.643 8.230 -0.190 0.000 0.433 137 L N -2.414 118.485 121.223 -0.541 0.000 2.141 137 L HA -0.334 3.763 4.340 -0.405 0.000 0.209 137 L C 2.753 179.441 176.870 -0.302 0.000 1.094 137 L CA 2.552 57.168 54.840 -0.373 0.000 0.763 137 L CB -0.717 41.281 42.059 -0.101 0.000 0.908 137 L HN 0.498 8.526 8.230 -0.313 0.014 0.437 138 Q N -2.139 117.502 119.800 -0.264 0.000 2.376 138 Q HA -0.302 3.979 4.340 -0.098 0.000 0.211 138 Q C 0.600 176.514 176.000 -0.142 0.000 0.986 138 Q CA 2.281 57.990 55.803 -0.157 0.000 0.886 138 Q CB -0.072 28.588 28.738 -0.129 0.000 0.927 138 Q HN -0.003 7.868 8.270 -0.273 0.235 0.457 139 A N -3.641 119.026 122.820 -0.255 0.000 2.167 139 A HA 0.141 4.453 4.320 -0.013 0.000 0.208 139 A C -0.433 177.265 177.584 0.191 0.000 1.198 139 A CA 0.364 52.363 52.037 -0.064 0.000 0.863 139 A CB 1.744 20.715 19.000 -0.050 0.000 0.904 139 A HN -0.659 7.107 8.150 -0.523 0.070 0.484 140 Y N -0.566 119.732 120.300 -0.004 0.000 2.425 140 Y HA 0.233 4.781 4.550 -0.003 0.000 0.347 140 Y C -2.432 173.467 175.900 -0.001 0.000 0.976 140 Y CA -4.307 53.791 58.100 -0.003 0.000 1.190 140 Y CB -1.307 37.150 38.460 -0.004 0.000 1.136 140 Y HN -0.555 7.395 8.280 -0.319 0.138 0.517 141 P HA -0.030 4.427 4.420 0.062 0.000 0.261 141 P C -0.820 176.524 177.300 0.073 0.000 1.183 141 P CA 0.230 63.378 63.100 0.081 0.000 0.761 141 P CB 0.632 32.367 31.700 0.058 0.000 0.785 142 R N 4.474 125.005 120.500 0.052 0.000 1.855 142 R HA -0.142 4.229 4.340 0.052 0.000 0.168 142 R C 1.119 177.437 176.300 0.031 0.000 1.791 142 R CA 0.186 56.311 56.100 0.043 0.000 1.428 142 R CB -0.145 30.175 30.300 0.032 0.000 1.037 142 R HN -0.091 8.204 8.270 0.042 0.000 0.483 143 D N -1.292 119.122 120.400 0.023 0.000 3.821 143 D HA -0.333 4.315 4.640 0.015 0.000 0.204 143 D C 0.184 176.495 176.300 0.017 0.000 1.303 143 D CA 2.273 56.284 54.000 0.018 0.000 2.340 143 D CB -1.059 39.752 40.800 0.018 0.000 1.233 143 D HN 0.129 8.512 8.370 0.021 0.000 0.420 144 M N 0.848 120.460 119.600 0.021 0.000 2.113 144 M HA -0.112 4.380 4.480 0.019 0.000 0.252 144 M C -0.358 175.955 176.300 0.022 0.000 1.122 144 M CA 2.038 57.351 55.300 0.022 0.000 1.119 144 M CB 1.078 33.693 32.600 0.025 0.000 1.235 144 M HN -0.084 8.127 8.290 0.024 0.094 0.432 145 E N -2.682 117.534 120.200 0.027 0.000 2.363 145 E HA 0.158 4.518 4.350 0.016 0.000 0.281 145 E C -1.055 175.558 176.600 0.022 0.000 0.953 145 E CA -0.312 56.102 56.400 0.024 0.000 0.778 145 E CB 2.389 32.109 29.700 0.035 0.000 1.220 145 E HN 0.056 8.434 8.360 0.030 0.000 0.431 146 K N 2.253 122.656 120.400 0.006 0.000 2.284 146 K HA 0.054 4.386 4.320 0.021 0.000 0.198 146 K C 1.369 177.939 176.600 -0.051 0.000 1.048 146 K CA 1.326 57.614 56.287 0.000 0.000 0.987 146 K CB 0.758 33.263 32.500 0.008 0.000 0.800 146 K HN 0.325 8.575 8.250 -0.001 0.000 0.486 147 E N 0.462 120.607 120.200 -0.092 0.000 2.103 147 E HA -0.544 3.588 4.350 -0.364 0.000 0.229 147 E C 1.753 178.080 176.600 -0.455 0.000 1.061 147 E CA 3.431 59.661 56.400 -0.284 0.000 0.916 147 E CB -0.734 28.916 29.700 -0.084 0.000 0.806 147 E HN 0.104 8.435 8.360 -0.048 0.000 0.489 148 K N -2.204 118.155 120.400 -0.068 0.000 1.972 148 K HA -0.271 4.297 4.320 0.412 0.000 0.227 148 K C 2.509 179.118 176.600 0.016 0.000 1.046 148 K CA 3.678 60.042 56.287 0.128 0.000 1.013 148 K CB -0.324 32.284 32.500 0.180 0.000 0.741 148 K HN 0.033 8.318 8.250 0.058 0.000 0.446 149 T N -0.801 113.773 114.554 0.034 0.000 2.685 149 T HA -0.413 3.967 4.350 0.049 0.000 0.268 149 T C 2.013 176.728 174.700 0.025 0.000 1.034 149 T CA 3.594 65.720 62.100 0.044 0.000 1.149 149 T CB -0.838 68.073 68.868 0.073 0.000 0.860 149 T HN 0.075 8.343 8.240 0.046 0.000 0.449 150 M N 2.296 121.890 119.600 -0.009 0.000 2.067 150 M HA -0.547 3.949 4.480 0.026 0.000 0.260 150 M C 1.371 177.658 176.300 -0.021 0.000 1.069 150 M CA 4.412 59.714 55.300 0.003 0.000 1.117 150 M CB 0.067 32.685 32.600 0.030 0.000 1.334 150 M HN 0.549 8.705 8.290 -0.023 0.120 0.407 151 L N -1.857 119.274 121.223 -0.153 0.000 2.005 151 L HA -0.344 4.000 4.340 0.007 0.000 0.207 151 L C 2.553 179.426 176.870 0.006 0.000 1.072 151 L CA 2.634 57.392 54.840 -0.136 0.000 0.744 151 L CB -1.870 39.810 42.059 -0.632 0.000 0.895 151 L HN 0.644 8.565 8.230 -0.299 0.129 0.433 152 V N -0.757 119.184 119.914 0.045 0.000 2.277 152 V HA -0.534 3.643 4.120 0.095 0.000 0.255 152 V C 2.706 178.814 176.094 0.024 0.000 1.074 152 V CA 4.563 66.905 62.300 0.071 0.000 1.058 152 V CB -0.752 31.114 31.823 0.071 0.000 0.656 152 V HN 0.527 8.617 8.190 0.014 0.109 0.449 153 L N -1.673 119.560 121.223 0.016 0.000 1.947 153 L HA -0.400 3.944 4.340 0.006 0.000 0.211 153 L C 1.629 178.488 176.870 -0.019 0.000 1.098 153 L CA 2.959 57.802 54.840 0.005 0.000 0.767 153 L CB -0.767 41.305 42.059 0.020 0.000 0.891 153 L HN -0.538 7.701 8.230 0.018 0.001 0.436 154 A N -0.841 121.950 122.820 -0.049 0.000 1.909 154 A HA -0.462 3.787 4.320 -0.118 0.000 0.221 154 A C 2.266 179.823 177.584 -0.045 0.000 1.223 154 A CA 3.224 55.200 52.037 -0.101 0.000 0.658 154 A CB -1.204 17.662 19.000 -0.223 0.000 0.831 154 A HN -0.418 7.705 8.150 -0.046 0.000 0.462 155 L N -2.939 118.289 121.223 0.009 0.000 1.990 155 L HA -0.335 4.047 4.340 0.069 0.000 0.213 155 L C 2.639 179.514 176.870 0.008 0.000 1.072 155 L CA 2.871 57.739 54.840 0.045 0.000 0.755 155 L CB -0.831 41.281 42.059 0.089 0.000 0.889 155 L HN 0.499 8.622 8.230 0.018 0.118 0.432 156 L N -2.330 118.885 121.223 -0.013 0.000 2.079 156 L HA -0.373 3.941 4.340 -0.043 0.000 0.210 156 L C 2.445 179.304 176.870 -0.019 0.000 1.081 156 L CA 3.114 57.938 54.840 -0.028 0.000 0.752 156 L CB -0.907 41.135 42.059 -0.028 0.000 0.896 156 L HN -0.674 7.487 8.230 -0.007 0.065 0.433 157 L N -2.081 119.129 121.223 -0.022 0.000 1.971 157 L HA -0.582 3.744 4.340 -0.024 0.000 0.215 157 L C 1.784 178.645 176.870 -0.015 0.000 1.072 157 L CA 3.374 58.198 54.840 -0.026 0.000 0.758 157 L CB -1.487 40.544 42.059 -0.046 0.000 0.889 157 L HN 0.243 8.362 8.230 -0.025 0.096 0.433 158 A N -1.200 121.616 122.820 -0.005 0.000 1.827 158 A HA -0.455 3.872 4.320 0.012 0.000 0.215 158 A C 1.806 179.405 177.584 0.025 0.000 1.212 158 A CA 2.968 55.016 52.037 0.018 0.000 0.624 158 A CB -0.908 18.118 19.000 0.044 0.000 0.853 158 A HN -0.311 7.833 8.150 -0.011 0.000 0.450 159 K N -2.409 118.009 120.400 0.029 0.000 2.207 159 K HA -0.487 3.859 4.320 0.043 0.000 0.208 159 K C 2.551 179.159 176.600 0.014 0.000 1.046 159 K CA 3.090 59.393 56.287 0.025 0.000 0.929 159 K CB -0.502 32.002 32.500 0.007 0.000 0.720 159 K HN -0.535 7.735 8.250 0.033 0.000 0.463 160 K N -1.122 119.282 120.400 0.006 0.000 1.969 160 K HA -0.320 4.005 4.320 0.008 0.000 0.216 160 K C 2.611 179.223 176.600 0.020 0.000 1.048 160 K CA 3.290 59.582 56.287 0.008 0.000 0.948 160 K CB -0.036 32.463 32.500 -0.002 0.000 0.726 160 K HN -0.245 7.873 8.250 0.001 0.133 0.442 161 V N -0.384 119.537 119.914 0.013 0.000 2.250 161 V HA -0.485 3.653 4.120 0.031 0.000 0.253 161 V C 1.163 177.272 176.094 0.025 0.000 1.065 161 V CA 3.836 66.148 62.300 0.020 0.000 1.039 161 V CB -0.857 30.967 31.823 0.001 0.000 0.647 161 V HN -0.531 7.660 8.190 0.003 0.000 0.446 162 A N -0.442 122.383 122.820 0.007 0.000 1.954 162 A HA -0.412 4.070 4.320 -0.048 -0.191 0.222 162 A C 2.366 179.909 177.584 -0.068 0.000 1.199 162 A CA 3.055 55.075 52.037 -0.027 0.000 0.657 162 A CB -1.158 17.849 19.000 0.011 0.000 0.823 162 A HN -0.290 7.873 8.150 0.017 -0.003 0.463 163 S N -1.449 114.238 115.700 -0.023 0.000 2.348 163 S HA -0.339 4.092 4.470 -0.066 0.000 0.221 163 S C 1.811 176.393 174.600 -0.030 0.000 1.033 163 S CA 3.092 61.273 58.200 -0.030 0.000 1.010 163 S CB -0.121 63.082 63.200 0.005 0.000 0.891 163 S HN 0.048 8.240 8.310 0.003 0.120 0.442 164 H N 0.344 119.381 119.070 -0.054 0.000 2.357 164 H HA -0.021 4.517 4.556 -0.031 0.000 0.301 164 H C 0.199 175.493 175.328 -0.056 0.000 1.082 164 H CA 2.095 58.118 56.048 -0.041 0.000 1.342 164 H CB 0.765 30.511 29.762 -0.027 0.000 1.389 164 H HN -0.796 7.503 8.280 0.138 0.063 0.511 165 T N 1.514 116.114 114.554 0.077 0.000 3.060 165 T HA 0.418 4.771 4.350 0.005 0.000 0.367 165 T C -1.562 173.066 174.700 -0.121 0.000 1.229 165 T CA -2.194 59.908 62.100 0.003 0.000 1.104 165 T CB 0.343 69.235 68.868 0.040 0.000 1.083 165 T HN 0.469 8.617 8.240 0.080 0.140 0.524 166 P HA 0.173 4.398 4.420 -0.487 -0.097 0.253 166 P C -0.208 176.858 177.300 -0.390 0.000 1.281 166 P CA 0.507 63.227 63.100 -0.632 0.000 0.792 166 P CB 0.080 30.756 31.700 -1.707 0.000 1.193 167 S N -2.332 113.289 115.700 -0.132 0.000 2.557 167 S HA 0.115 4.602 4.470 0.029 0.000 0.223 167 S C -0.313 174.272 174.600 -0.025 0.000 0.969 167 S CA 0.897 59.089 58.200 -0.014 0.000 0.927 167 S CB -0.301 62.923 63.200 0.040 0.000 0.806 167 S HN -0.004 8.129 8.310 -0.107 0.113 0.489 168 L N -0.552 120.643 121.223 -0.047 0.000 3.016 168 L HA 0.252 4.582 4.340 -0.016 0.000 0.267 168 L C 0.027 176.882 176.870 -0.025 0.000 1.182 168 L CA -0.844 53.982 54.840 -0.023 0.000 0.997 168 L CB 0.331 42.388 42.059 -0.004 0.000 1.354 168 L HN -0.667 7.440 8.230 -0.080 0.076 0.569 169 L N -0.503 120.684 121.223 -0.060 0.000 2.013 169 L HA -0.616 3.782 4.340 0.097 0.000 0.239 169 L C 1.777 178.588 176.870 -0.098 0.000 1.100 169 L CA 4.049 58.862 54.840 -0.045 0.000 0.826 169 L CB -0.807 41.140 42.059 -0.186 0.000 0.921 169 L HN -0.339 7.780 8.230 -0.088 0.058 0.445 170 R N -4.370 115.925 120.500 -0.341 0.000 2.159 170 R HA -0.534 3.381 4.340 -0.708 0.000 0.249 170 R C 1.630 177.823 176.300 -0.178 0.000 1.136 170 R CA 3.583 59.446 56.100 -0.394 0.000 0.951 170 R CB -1.763 28.387 30.300 -0.251 0.000 0.876 170 R HN 0.143 8.209 8.270 -0.340 0.000 0.440 171 D N -2.565 117.820 120.400 -0.025 0.000 2.123 171 D HA -0.202 4.526 4.640 0.145 0.000 0.196 171 D C 2.114 178.478 176.300 0.106 0.000 0.992 171 D CA 3.294 57.339 54.000 0.074 0.000 0.833 171 D CB -0.309 40.525 40.800 0.057 0.000 0.954 171 D HN -0.134 8.215 8.370 -0.041 -0.003 0.455 172 V N -0.256 119.725 119.914 0.112 0.000 2.323 172 V HA -0.376 3.813 4.120 0.115 0.000 0.244 172 V C 2.076 178.297 176.094 0.212 0.000 1.041 172 V CA 3.303 65.694 62.300 0.151 0.000 1.025 172 V CB -0.460 31.452 31.823 0.148 0.000 0.656 172 V HN 0.149 8.170 8.190 0.085 0.221 0.451 173 F N -0.185 119.725 119.950 -0.068 0.000 2.045 173 F HA -0.546 4.006 4.527 0.042 0.000 0.297 173 F C 2.335 178.148 175.800 0.022 0.000 1.114 173 F CA 4.549 62.512 58.000 -0.063 0.000 1.207 173 F CB -0.828 38.030 39.000 -0.236 0.000 0.964 173 F HN 0.361 8.841 8.300 0.499 0.120 0.486 174 H N -3.361 115.897 119.070 0.313 0.000 2.387 174 H HA -0.231 4.454 4.556 0.214 0.000 0.299 174 H C 2.575 178.009 175.328 0.177 0.000 1.090 174 H CA 2.959 59.134 56.048 0.212 0.000 1.332 174 H CB -0.708 29.152 29.762 0.163 0.000 1.386 174 H HN -0.348 7.851 8.280 -0.134 0.000 0.516 175 T N 3.210 117.922 114.554 0.264 0.000 2.649 175 T HA -0.389 4.069 4.350 0.179 0.000 0.268 175 T C 1.825 176.644 174.700 0.198 0.000 1.036 175 T CA 4.735 66.947 62.100 0.186 0.000 1.157 175 T CB -0.782 68.158 68.868 0.120 0.000 0.861 175 T HN -0.212 8.096 8.240 0.247 0.080 0.445 176 T N 1.163 115.835 114.554 0.197 0.000 3.035 176 T HA -0.025 4.456 4.350 0.218 0.000 0.259 176 T C 1.006 175.851 174.700 0.242 0.000 1.078 176 T CA 3.133 65.364 62.100 0.218 0.000 1.132 176 T CB -0.037 68.959 68.868 0.213 0.000 0.900 176 T HN -0.542 7.810 8.240 0.186 -0.000 0.480 177 V N -1.136 118.917 119.914 0.233 0.000 3.354 177 V HA -0.169 4.063 4.120 0.186 0.000 0.258 177 V C 0.783 176.992 176.094 0.191 0.000 1.159 177 V CA 1.880 64.305 62.300 0.208 0.000 1.125 177 V CB -0.089 31.863 31.823 0.216 0.000 0.774 177 V HN -0.555 7.681 8.190 0.244 0.101 0.464 178 N N 1.677 120.508 118.700 0.219 0.000 2.255 178 N HA -0.056 4.755 4.740 0.118 0.000 0.192 178 N C 1.299 176.908 175.510 0.164 0.000 1.049 178 N CA 2.599 55.750 53.050 0.169 0.000 0.886 178 N CB 0.011 38.603 38.487 0.175 0.000 1.064 178 N HN 0.748 9.172 8.380 0.256 0.109 0.457 179 F N 0.730 120.718 119.950 0.064 0.000 2.167 179 F HA -0.364 4.179 4.527 0.027 0.000 0.301 179 F C 1.453 177.271 175.800 0.031 0.000 1.066 179 F CA 3.098 61.120 58.000 0.037 0.000 1.285 179 F CB 0.144 39.161 39.000 0.029 0.000 1.032 179 F HN -0.605 7.903 8.300 0.347 0.000 0.495 180 I N -4.711 115.870 120.570 0.019 0.000 2.270 180 I HA -0.370 3.677 4.170 -0.205 0.000 0.239 180 I C 1.905 177.987 176.117 -0.059 0.000 1.080 180 I CA 1.483 62.752 61.300 -0.053 0.000 1.383 180 I CB -1.016 37.055 38.000 0.119 0.000 1.097 180 I HN -0.487 7.785 8.210 0.175 0.043 0.420 181 N N -0.134 118.570 118.700 0.008 0.000 2.242 181 N HA -0.446 4.297 4.740 0.005 0.000 0.191 181 N C 2.401 177.887 175.510 -0.041 0.000 1.005 181 N CA 2.689 55.738 53.050 -0.001 0.000 0.877 181 N CB -0.284 38.215 38.487 0.021 0.000 0.983 181 N HN -0.537 7.876 8.380 0.055 0.000 0.439 182 Q N -2.900 116.852 119.800 -0.079 0.000 2.135 182 Q HA -0.235 4.068 4.340 -0.062 0.000 0.204 182 Q C 0.838 176.769 176.000 -0.114 0.000 0.981 182 Q CA 2.538 58.280 55.803 -0.102 0.000 0.856 182 Q CB 0.333 28.980 28.738 -0.151 0.000 0.902 182 Q HN -0.275 7.896 8.270 -0.085 0.048 0.425 183 N N -7.194 111.417 118.700 -0.149 0.000 2.142 183 N HA 0.066 4.759 4.740 -0.078 0.000 0.303 183 N C 0.295 175.748 175.510 -0.096 0.000 0.961 183 N CA 0.709 53.688 53.050 -0.118 0.000 0.683 183 N CB 1.939 40.341 38.487 -0.141 0.000 2.023 183 N HN 0.277 8.426 8.380 -0.187 0.119 0.826 184 L N 0.299 121.438 121.223 -0.139 0.000 2.645 184 L HA 0.074 4.398 4.340 -0.027 0.000 0.235 184 L C 1.134 178.035 176.870 0.052 0.000 1.150 184 L CA -1.236 53.570 54.840 -0.058 0.000 0.911 184 L CB -1.376 40.595 42.059 -0.146 0.000 1.077 184 L HN 0.026 8.114 8.230 -0.235 0.000 0.438 185 R N 1.889 122.399 120.500 0.017 0.000 2.206 185 R HA -0.541 3.832 4.340 0.056 0.000 0.240 185 R C 1.666 178.011 176.300 0.075 0.000 1.117 185 R CA 4.384 60.511 56.100 0.044 0.000 0.915 185 R CB -0.551 29.756 30.300 0.012 0.000 0.888 185 R HN -0.174 7.969 8.270 -0.028 0.111 0.432 186 T N -0.781 113.807 114.554 0.057 0.000 2.836 186 T HA -0.422 3.945 4.350 0.027 0.000 0.268 186 T C 1.724 176.472 174.700 0.079 0.000 1.080 186 T CA 3.373 65.503 62.100 0.051 0.000 1.128 186 T CB -0.704 68.189 68.868 0.040 0.000 0.839 186 T HN 0.108 8.370 8.240 0.037 0.000 0.507 187 Y N 2.693 122.998 120.300 0.009 0.000 2.133 187 Y HA -0.353 4.211 4.550 0.023 0.000 0.287 187 Y C 1.998 177.926 175.900 0.048 0.000 1.134 187 Y CA 3.357 61.473 58.100 0.026 0.000 1.133 187 Y CB 0.041 38.518 38.460 0.028 0.000 0.987 187 Y HN 0.292 8.497 8.280 0.221 0.207 0.502 188 V N -0.194 119.815 119.914 0.158 0.000 2.277 188 V HA -0.648 3.559 4.120 0.145 0.000 0.253 188 V C 1.766 177.843 176.094 -0.028 0.000 1.067 188 V CA 3.890 66.246 62.300 0.094 0.000 1.047 188 V CB -1.509 30.395 31.823 0.135 0.000 0.649 188 V HN -0.306 8.054 8.190 0.283 0.000 0.447 189 R N -2.155 118.325 120.500 -0.035 0.000 2.174 189 R HA -0.543 3.773 4.340 -0.041 0.000 0.253 189 R C 2.563 178.812 176.300 -0.085 0.000 1.165 189 R CA 3.697 59.767 56.100 -0.050 0.000 0.984 189 R CB -0.286 29.991 30.300 -0.038 0.000 0.873 189 R HN -0.503 7.762 8.270 -0.003 0.003 0.456 190 S N -0.039 115.552 115.700 -0.183 0.000 2.377 190 S HA -0.238 4.144 4.470 -0.146 0.000 0.223 190 S C 1.516 175.992 174.600 -0.206 0.000 1.030 190 S CA 3.164 61.218 58.200 -0.244 0.000 0.970 190 S CB -0.200 62.740 63.200 -0.434 0.000 0.830 190 S HN 0.444 8.441 8.310 -0.225 0.177 0.473 191 L N 0.953 122.044 121.223 -0.221 0.000 2.103 191 L HA -0.330 3.947 4.340 -0.105 0.000 0.215 191 L C 1.451 178.447 176.870 0.210 0.000 1.080 191 L CA 2.980 57.833 54.840 0.022 0.000 0.764 191 L CB -0.375 41.878 42.059 0.323 0.000 0.890 191 L HN -0.751 7.173 8.230 -0.326 0.110 0.435 192 A N -4.453 118.457 122.820 0.151 0.000 1.911 192 A HA -0.130 4.336 4.320 0.245 0.000 0.212 192 A C 1.252 178.865 177.584 0.048 0.000 1.189 192 A CA 1.292 53.406 52.037 0.127 0.000 0.639 192 A CB -0.044 18.972 19.000 0.026 0.000 0.839 192 A HN -0.678 7.486 8.150 0.061 0.023 0.449 193 R N -2.066 118.431 120.500 -0.005 0.000 2.133 193 R HA -0.288 4.045 4.340 -0.012 0.000 0.247 193 R C 1.835 178.129 176.300 -0.010 0.000 1.151 193 R CA 2.539 58.628 56.100 -0.019 0.000 0.971 193 R CB 0.292 30.566 30.300 -0.044 0.000 0.866 193 R HN -0.471 7.714 8.270 -0.024 0.070 0.447 194 N N -5.664 113.026 118.700 -0.017 0.000 2.250 194 N HA 0.091 4.830 4.740 -0.002 0.000 0.190 194 N C 0.564 176.080 175.510 0.010 0.000 1.116 194 N CA 0.027 53.070 53.050 -0.011 0.000 0.881 194 N CB 1.244 39.709 38.487 -0.036 0.000 1.006 194 N HN -0.039 8.307 8.380 -0.032 0.015 0.491 195 G N 0.022 108.848 108.800 0.043 0.000 2.498 195 G HA2 -0.425 3.630 3.960 0.186 0.000 0.229 195 G HA3 -0.425 3.580 3.960 0.076 0.000 0.229 195 G C -0.702 174.164 174.900 -0.057 0.000 1.156 195 G CA 1.946 47.095 45.100 0.081 0.000 0.680 195 G HN -0.158 8.025 8.290 0.053 0.139 0.512 196 M N -0.107 119.430 119.600 -0.106 0.000 2.662 196 M HA 0.219 4.467 4.480 -0.387 0.000 0.214 196 M C -1.528 174.699 176.300 -0.121 0.000 1.737 196 M CA 1.301 56.482 55.300 -0.198 0.000 1.143 196 M CB 1.912 34.431 32.600 -0.136 0.000 1.350 196 M HN -0.462 7.683 8.290 -0.055 0.112 0.572 197 D N 0.000 120.367 120.400 -0.056 0.000 6.856 197 D HA 0.000 4.675 4.640 0.058 0.000 0.175 197 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 197 D CB 0.000 40.813 40.800 0.021 0.000 0.688 197 D HN 0.000 8.340 8.370 -0.051 0.000 0.683