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 3lgv_1_C DATA FIRST_RESID 38 DATA SEQUENCE DSTDETPASY NLAVRRAAPA VVNVYNRGLN XXXXNQLEIR TLGSGVIMDQ DATA SEQUENCE RGYIITNKHV INDADQIIVA LQDGRVFEAL LVGSDSLTDL AVLKINATGG DATA SEQUENCE LPTIPINARR VPHIGDVVLA IGNPYNLGQT ITQGIISATG RIGLNPTGRQ DATA SEQUENCE NFLQTDASIN PGNSGGALVN SLGELMGINT LSFXXXXXXE TPEGIGFAIP DATA SEQUENCE FQLATKIMDK LIRDG 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 38 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 38 D C 0.000 176.298 176.300 -0.003 0.000 2.045 38 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 38 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 39 S N 3.712 119.410 115.700 -0.003 0.000 2.422 39 S HA 0.243 4.711 4.470 -0.004 0.000 0.308 39 S C -0.522 174.076 174.600 -0.004 0.000 1.097 39 S CA -0.175 58.023 58.200 -0.004 0.000 1.099 39 S CB 0.648 63.845 63.200 -0.003 0.000 0.976 39 S HN -0.015 8.294 8.310 -0.003 0.000 0.471 40 T N 2.411 116.962 114.554 -0.005 0.000 2.849 40 T HA 0.128 4.475 4.350 -0.005 0.000 0.284 40 T C -0.407 174.289 174.700 -0.006 0.000 1.004 40 T CA -0.781 61.316 62.100 -0.005 0.000 1.021 40 T CB 1.259 70.124 68.868 -0.005 0.000 1.013 40 T HN 0.051 8.288 8.240 -0.005 0.000 0.527 41 D N 0.997 121.392 120.400 -0.007 0.000 2.427 41 D HA 0.199 4.835 4.640 -0.008 0.000 0.224 41 D C -1.047 175.246 176.300 -0.010 0.000 1.157 41 D CA -0.000 53.995 54.000 -0.008 0.000 0.828 41 D CB -0.288 40.508 40.800 -0.007 0.000 0.974 41 D HN 0.201 8.567 8.370 -0.007 0.000 0.498 42 E N 0.084 120.277 120.200 -0.011 0.000 2.502 42 E HA -0.099 4.243 4.350 -0.014 0.000 0.261 42 E C -0.455 176.135 176.600 -0.017 0.000 0.974 42 E CA 0.885 57.277 56.400 -0.014 0.000 0.936 42 E CB 0.343 30.036 29.700 -0.013 0.000 0.926 42 E HN -0.205 8.088 8.360 -0.010 0.061 0.459 43 T N 2.749 117.290 114.554 -0.022 0.000 2.841 43 T HA 0.264 4.599 4.350 -0.024 0.000 0.283 43 T C -2.049 172.629 174.700 -0.036 0.000 1.000 43 T CA -3.506 58.578 62.100 -0.027 0.000 0.977 43 T CB 0.740 69.591 68.868 -0.028 0.000 0.979 43 T HN -0.170 8.057 8.240 -0.023 0.000 0.446 44 P HA 0.196 4.589 4.420 -0.046 0.000 0.278 44 P C -0.760 176.492 177.300 -0.081 0.000 1.238 44 P CA -0.694 62.375 63.100 -0.051 0.000 0.794 44 P CB 0.316 31.991 31.700 -0.041 0.000 0.955 45 A N 2.077 124.837 122.820 -0.100 0.000 2.546 45 A HA -0.035 4.180 4.320 -0.174 0.000 0.243 45 A C -0.484 176.960 177.584 -0.233 0.000 1.063 45 A CA 0.519 52.453 52.037 -0.172 0.000 0.757 45 A CB 0.074 18.974 19.000 -0.167 0.000 0.991 45 A HN 0.028 8.129 8.150 -0.083 0.000 0.503 46 S N 2.323 117.820 115.700 -0.337 0.000 2.535 46 S HA 0.074 4.375 4.470 -0.282 0.000 0.272 46 S C -1.014 173.344 174.600 -0.405 0.000 1.149 46 S CA -0.187 57.832 58.200 -0.302 0.000 0.888 46 S CB 0.861 63.985 63.200 -0.127 0.000 1.110 46 S HN -0.172 7.920 8.310 -0.364 0.000 0.463 47 Y N 3.509 123.810 120.300 0.002 0.000 2.746 47 Y HA 0.159 4.710 4.550 0.001 0.000 0.312 47 Y C 0.051 175.951 175.900 0.001 0.000 1.117 47 Y CA -0.769 57.331 58.100 0.001 0.000 1.324 47 Y CB -0.501 37.960 38.460 0.001 0.000 1.173 47 Y HN 0.269 8.507 8.280 -0.070 0.000 0.529 48 N N 1.479 120.221 118.700 0.070 0.000 2.309 48 N HA -0.292 4.485 4.740 0.063 0.000 0.182 48 N C 1.044 176.581 175.510 0.046 0.000 1.018 48 N CA 2.927 56.008 53.050 0.051 0.000 0.876 48 N CB 0.345 38.843 38.487 0.018 0.000 0.972 48 N HN -0.449 7.856 8.380 0.014 0.084 0.434 49 L N 0.079 121.329 121.223 0.044 0.000 2.017 49 L HA -0.298 4.057 4.340 0.025 0.000 0.208 49 L C 0.995 177.890 176.870 0.042 0.000 1.073 49 L CA 3.181 58.042 54.840 0.036 0.000 0.745 49 L CB -0.426 41.653 42.059 0.032 0.000 0.894 49 L HN -0.069 8.186 8.230 0.041 0.000 0.432 50 A N -3.298 119.562 122.820 0.066 0.000 1.972 50 A HA -0.306 4.033 4.320 0.031 0.000 0.219 50 A C 1.980 179.584 177.584 0.035 0.000 1.169 50 A CA 2.785 54.851 52.037 0.048 0.000 0.635 50 A CB -1.210 17.827 19.000 0.061 0.000 0.810 50 A HN 0.040 8.247 8.150 0.095 0.000 0.446 51 V N -1.122 118.821 119.914 0.047 0.000 2.283 51 V HA -0.578 3.560 4.120 0.029 0.000 0.243 51 V C 2.313 178.422 176.094 0.025 0.000 1.039 51 V CA 4.174 66.495 62.300 0.036 0.000 1.016 51 V CB -0.272 31.578 31.823 0.044 0.000 0.650 51 V HN -0.730 7.379 8.190 0.062 0.118 0.449 52 R N -1.209 119.306 120.500 0.025 0.000 2.152 52 R HA -0.287 4.064 4.340 0.019 0.000 0.232 52 R C 2.073 178.382 176.300 0.015 0.000 1.117 52 R CA 3.276 59.387 56.100 0.019 0.000 0.981 52 R CB -0.262 30.049 30.300 0.017 0.000 0.870 52 R HN -0.209 8.078 8.270 0.029 0.000 0.451 53 R N -3.475 117.032 120.500 0.013 0.000 2.090 53 R HA -0.079 4.265 4.340 0.005 0.000 0.219 53 R C 0.750 177.051 176.300 0.001 0.000 1.100 53 R CA 2.491 58.595 56.100 0.006 0.000 0.991 53 R CB 0.486 30.788 30.300 0.002 0.000 0.893 53 R HN -0.586 7.664 8.270 0.016 0.030 0.443 54 A N -2.966 119.855 122.820 0.001 0.000 1.963 54 A HA 0.179 4.493 4.320 -0.010 0.000 0.207 54 A C 1.385 178.971 177.584 0.003 0.000 1.243 54 A CA 1.359 53.393 52.037 -0.005 0.000 0.728 54 A CB 0.517 19.509 19.000 -0.013 0.000 0.895 54 A HN -0.383 7.770 8.150 0.005 0.000 0.467 55 A N 0.018 122.843 122.820 0.009 0.000 1.903 55 A HA -0.184 4.143 4.320 0.012 0.000 0.219 55 A C -1.156 176.439 177.584 0.018 0.000 1.191 55 A CA 4.464 56.509 52.037 0.014 0.000 0.638 55 A CB -2.556 16.455 19.000 0.019 0.000 0.823 55 A HN -0.010 8.147 8.150 0.011 0.000 0.451 56 P HA -0.244 4.194 4.420 0.030 0.000 0.220 56 P C -0.376 176.939 177.300 0.025 0.000 1.144 56 P CA 1.842 64.957 63.100 0.025 0.000 0.800 56 P CB -0.397 31.316 31.700 0.023 0.000 0.772 57 A N -5.494 117.336 122.820 0.017 0.000 2.308 57 A HA 0.256 4.679 4.320 0.016 -0.093 0.217 57 A C -1.492 176.100 177.584 0.014 0.000 1.216 57 A CA -0.795 51.250 52.037 0.014 0.000 0.864 57 A CB 0.974 19.978 19.000 0.006 0.000 0.902 57 A HN -0.561 7.550 8.150 0.013 0.047 0.499 58 V N 0.063 119.987 119.914 0.016 0.000 2.394 58 V HA 0.613 4.912 4.120 0.010 -0.174 0.282 58 V C -0.651 175.455 176.094 0.019 0.000 1.031 58 V CA -0.361 61.947 62.300 0.012 0.000 0.881 58 V CB 1.527 33.354 31.823 0.007 0.000 0.982 58 V HN -0.605 7.546 8.190 0.017 0.049 0.451 59 V N 0.039 119.962 119.914 0.015 0.000 2.864 59 V HA 0.605 4.834 4.120 0.045 -0.082 0.314 59 V C -1.592 174.498 176.094 -0.007 0.000 1.073 59 V CA -3.624 58.694 62.300 0.029 0.000 0.956 59 V CB 3.186 35.039 31.823 0.049 0.000 1.023 59 V HN 0.615 8.703 8.190 0.007 0.106 0.435 60 N N 2.757 121.457 118.700 -0.001 0.000 2.430 60 N HA 0.154 4.913 4.740 -0.179 -0.127 0.265 60 N C -0.571 174.825 175.510 -0.190 0.000 1.100 60 N CA -1.050 51.920 53.050 -0.132 0.000 0.961 60 N CB 0.188 38.622 38.487 -0.088 0.000 1.075 60 N HN -0.213 8.197 8.380 0.051 0.000 0.478 61 V N 4.648 124.389 119.914 -0.288 0.000 2.394 61 V HA 0.350 4.609 4.120 -0.037 -0.161 0.282 61 V C -1.251 174.641 176.094 -0.338 0.000 1.031 61 V CA -0.608 61.584 62.300 -0.180 0.000 0.881 61 V CB 1.167 32.931 31.823 -0.098 0.000 0.982 61 V HN -0.171 7.737 8.190 -0.292 0.107 0.451 62 Y N 6.007 126.316 120.300 0.016 0.000 2.409 62 Y HA 0.223 4.780 4.550 0.013 0.000 0.339 62 Y C -1.273 174.635 175.900 0.013 0.000 1.033 62 Y CA -1.343 56.766 58.100 0.015 0.000 1.094 62 Y CB 2.913 41.383 38.460 0.017 0.000 1.210 62 Y HN 0.710 9.136 8.280 0.243 0.000 0.456 63 N N 2.079 120.871 118.700 0.153 0.000 2.417 63 N HA 0.336 5.127 4.740 0.086 0.000 0.274 63 N C -1.275 174.291 175.510 0.093 0.000 0.987 63 N CA -1.408 51.699 53.050 0.094 0.000 0.912 63 N CB 2.229 40.749 38.487 0.056 0.000 1.177 63 N HN 0.218 8.688 8.380 0.150 0.000 0.490 64 R N 4.042 124.586 120.500 0.072 0.000 2.598 64 R HA 0.595 5.114 4.340 0.056 -0.146 0.279 64 R C -0.674 175.649 176.300 0.039 0.000 0.984 64 R CA -2.101 54.031 56.100 0.052 0.000 0.999 64 R CB 3.284 33.608 30.300 0.039 0.000 1.114 64 R HN 0.290 8.600 8.270 0.067 0.000 0.493 65 G N -2.869 105.950 108.800 0.032 0.000 2.680 65 G HA2 0.832 4.945 3.960 0.025 0.000 0.290 65 G HA3 0.832 4.808 3.960 0.027 0.000 0.290 65 G C -2.926 171.985 174.900 0.019 0.000 1.355 65 G CA -0.881 44.234 45.100 0.026 0.000 0.903 65 G HN 0.243 8.551 8.290 0.030 0.000 0.474 66 L N -2.674 118.558 121.223 0.017 0.000 2.296 66 L HA 0.400 4.746 4.340 0.011 0.000 0.286 66 L C -1.014 175.863 176.870 0.012 0.000 1.023 66 L CA -1.573 53.274 54.840 0.013 0.000 0.812 66 L CB 1.190 43.256 42.059 0.011 0.000 1.223 66 L HN -0.029 8.304 8.230 0.017 -0.092 0.421 73 Q N 0.770 120.573 119.800 0.003 0.000 2.305 73 Q HA 0.328 4.669 4.340 0.000 0.000 0.271 73 Q C -1.677 174.324 176.000 0.003 0.000 1.046 73 Q CA -0.714 55.090 55.803 0.001 0.000 0.798 73 Q CB 2.221 30.959 28.738 -0.000 0.000 1.286 73 Q HN -0.232 8.041 8.270 0.005 0.000 0.435 74 L N 5.440 126.664 121.223 0.001 0.000 2.485 74 L HA 0.292 4.895 4.340 0.008 -0.259 0.275 74 L C 0.354 177.225 176.870 0.002 0.000 1.207 74 L CA 0.336 55.178 54.840 0.003 0.000 0.855 74 L CB 0.347 42.406 42.059 -0.000 0.000 1.114 74 L HN 0.361 8.591 8.230 -0.001 0.000 0.485 75 E N 1.631 121.837 120.200 0.010 0.000 2.407 75 E HA 0.147 4.500 4.350 0.004 0.000 0.279 75 E C -1.561 175.056 176.600 0.029 0.000 1.012 75 E CA -1.547 54.860 56.400 0.013 0.000 0.800 75 E CB 4.627 34.335 29.700 0.013 0.000 1.276 75 E HN 0.062 8.431 8.360 0.015 0.000 0.452 76 I N 2.413 123.006 120.570 0.039 0.000 2.588 76 I HA -0.002 4.405 4.170 0.081 -0.188 0.283 76 I C 0.748 176.905 176.117 0.066 0.000 1.119 76 I CA 1.709 63.053 61.300 0.072 0.000 1.419 76 I CB 0.403 38.469 38.000 0.110 0.000 1.394 76 I HN 0.522 8.750 8.210 0.031 0.000 0.562 77 R N 6.264 126.805 120.500 0.069 0.000 2.167 77 R HA 0.239 4.609 4.340 0.050 0.000 0.195 77 R C 0.085 176.420 176.300 0.058 0.000 1.027 77 R CA 0.470 56.603 56.100 0.055 0.000 1.114 77 R CB 1.820 32.148 30.300 0.046 0.000 1.075 77 R HN 0.520 8.836 8.270 0.077 0.000 0.538 78 T N 0.546 115.137 114.554 0.062 0.000 2.883 78 T HA 0.343 4.721 4.350 0.047 0.000 0.301 78 T C -2.548 172.173 174.700 0.036 0.000 1.158 78 T CA -0.906 61.223 62.100 0.048 0.000 1.007 78 T CB 2.575 71.470 68.868 0.045 0.000 1.186 78 T HN -0.571 7.709 8.240 0.067 0.000 0.499 79 L N -2.334 118.884 121.223 -0.009 0.000 2.341 79 L HA 0.996 5.381 4.340 -0.120 -0.116 0.254 79 L C -0.921 175.870 176.870 -0.130 0.000 1.040 79 L CA -1.714 53.062 54.840 -0.107 0.000 0.837 79 L CB 3.159 45.123 42.059 -0.159 0.000 1.425 79 L HN 0.087 8.314 8.230 -0.006 0.000 0.414 80 G N -1.665 107.012 108.800 -0.204 0.000 2.588 80 G HA2 0.434 4.319 3.960 -0.125 0.000 0.281 80 G HA3 0.434 4.320 3.960 -0.123 0.000 0.281 80 G C -1.988 172.811 174.900 -0.170 0.000 1.223 80 G CA 0.829 45.839 45.100 -0.150 0.000 0.871 80 G HN 0.261 8.373 8.290 -0.296 0.000 0.492 81 S N -0.287 115.346 115.700 -0.112 0.000 2.709 81 S HA 1.117 5.688 4.470 -0.101 -0.162 0.302 81 S C -1.059 173.504 174.600 -0.061 0.000 1.127 81 S CA -1.987 56.162 58.200 -0.085 0.000 0.905 81 S CB 3.907 67.074 63.200 -0.055 0.000 1.151 81 S HN 0.440 8.694 8.310 -0.095 0.000 0.510 82 G N -2.256 106.522 108.800 -0.036 0.000 2.646 82 G HA2 0.759 4.975 3.960 -0.018 0.000 0.291 82 G HA3 0.759 4.708 3.960 -0.017 0.000 0.291 82 G C -3.286 171.613 174.900 -0.002 0.000 1.445 82 G CA 0.221 45.310 45.100 -0.018 0.000 0.814 82 G HN -0.163 8.109 8.290 -0.031 0.000 0.495 83 V N 0.178 120.097 119.914 0.008 0.000 2.577 83 V HA 0.520 4.803 4.120 0.010 -0.157 0.303 83 V C -1.022 175.083 176.094 0.018 0.000 1.042 83 V CA -1.658 60.650 62.300 0.013 0.000 0.872 83 V CB 3.731 35.564 31.823 0.017 0.000 0.998 83 V HN 0.503 8.698 8.190 0.010 0.000 0.423 84 I N 7.354 127.932 120.570 0.013 0.000 2.379 84 I HA 0.018 4.339 4.170 0.017 -0.141 0.290 84 I C 0.109 176.240 176.117 0.023 0.000 1.063 84 I CA 0.791 62.098 61.300 0.013 0.000 1.351 84 I CB 0.073 38.070 38.000 -0.006 0.000 1.410 84 I HN 0.508 8.725 8.210 0.010 0.000 0.505 85 M N 5.854 125.481 119.600 0.044 0.000 2.466 85 M HA 0.058 4.558 4.480 0.033 0.000 0.265 85 M C -0.055 176.272 176.300 0.045 0.000 1.122 85 M CA -0.507 54.821 55.300 0.046 0.000 1.157 85 M CB 0.151 32.785 32.600 0.056 0.000 1.352 85 M HN 0.384 8.711 8.290 0.062 0.000 0.464 86 D N -5.691 114.745 120.400 0.061 0.000 2.692 86 D HA 0.123 4.783 4.640 0.033 0.000 0.303 86 D C 0.074 176.396 176.300 0.036 0.000 1.278 86 D CA -1.136 52.895 54.000 0.052 0.000 0.852 86 D CB 0.462 41.303 40.800 0.069 0.000 1.375 86 D HN -0.855 7.559 8.370 0.074 0.000 0.453 87 Q N -2.499 117.316 119.800 0.024 0.000 2.170 87 Q HA -0.252 4.079 4.340 -0.015 0.000 0.203 87 Q C 1.273 177.262 176.000 -0.018 0.000 0.976 87 Q CA 2.545 58.347 55.803 -0.001 0.000 0.858 87 Q CB -0.253 28.486 28.738 0.003 0.000 0.907 87 Q HN 0.354 8.641 8.270 0.028 0.000 0.433 88 R N -3.197 117.316 120.500 0.021 0.000 2.200 88 R HA -0.249 4.073 4.340 -0.030 0.000 0.234 88 R C 0.588 176.791 176.300 -0.162 0.000 1.127 88 R CA 0.959 57.051 56.100 -0.013 0.000 0.989 88 R CB 0.337 30.724 30.300 0.144 0.000 0.869 88 R HN -0.592 7.808 8.270 0.064 -0.092 0.459 89 G N -4.834 103.884 108.800 -0.135 0.000 2.135 89 G HA2 -0.364 3.488 3.960 -0.179 0.000 0.183 89 G HA3 -0.364 3.577 3.960 -0.291 -0.156 0.183 89 G C -0.810 173.936 174.900 -0.256 0.000 1.004 89 G CA -0.358 44.606 45.100 -0.226 0.000 0.677 89 G HN -0.528 7.819 8.290 -0.045 -0.084 0.512 90 Y N 0.140 120.407 120.300 -0.056 0.000 2.319 90 Y HA 0.246 4.944 4.550 -0.041 -0.173 0.328 90 Y C -0.902 174.977 175.900 -0.035 0.000 1.133 90 Y CA 0.758 58.834 58.100 -0.040 0.000 1.265 90 Y CB 1.294 39.738 38.460 -0.027 0.000 1.218 90 Y HN -1.038 7.483 8.280 0.109 -0.175 0.508 91 I N 0.729 121.378 120.570 0.131 0.000 2.582 91 I HA 0.612 5.010 4.170 0.055 -0.195 0.292 91 I C -0.873 175.280 176.117 0.061 0.000 1.066 91 I CA -1.625 59.713 61.300 0.063 0.000 1.053 91 I CB 3.995 42.006 38.000 0.019 0.000 1.241 91 I HN -0.066 8.237 8.210 0.155 0.000 0.421 92 I N 6.085 126.680 120.570 0.042 0.000 2.428 92 I HA 0.666 5.020 4.170 0.030 -0.166 0.296 92 I C -0.681 175.441 176.117 0.009 0.000 0.985 92 I CA -0.978 60.339 61.300 0.028 0.000 1.260 92 I CB 2.033 40.051 38.000 0.031 0.000 1.389 92 I HN 0.461 8.695 8.210 0.039 0.000 0.484 93 T N 4.495 119.045 114.554 -0.007 0.000 2.671 93 T HA 0.406 4.736 4.350 -0.033 0.000 0.300 93 T C -1.892 172.771 174.700 -0.062 0.000 1.238 93 T CA -2.683 59.394 62.100 -0.038 0.000 1.020 93 T CB 1.528 70.365 68.868 -0.053 0.000 1.503 93 T HN 0.218 8.455 8.240 -0.005 0.000 0.497 94 N N 0.794 119.411 118.700 -0.139 0.000 2.518 94 N HA 0.209 5.023 4.740 -0.104 -0.136 0.283 94 N C 0.750 176.092 175.510 -0.279 0.000 1.119 94 N CA 0.086 53.002 53.050 -0.223 0.000 0.983 94 N CB 1.266 39.514 38.487 -0.398 0.000 1.139 94 N HN 0.423 8.706 8.380 -0.162 0.000 0.465 95 K N 5.910 126.223 120.400 -0.146 0.000 2.009 95 K HA -0.360 3.927 4.320 -0.056 0.000 0.210 95 K C 1.484 178.032 176.600 -0.086 0.000 1.049 95 K CA 3.106 59.353 56.287 -0.067 0.000 0.929 95 K CB -0.029 32.483 32.500 0.020 0.000 0.714 95 K HN 0.098 8.273 8.250 -0.069 0.034 0.440 96 H N -4.366 114.714 119.070 0.016 0.000 2.489 96 H HA -0.136 4.429 4.556 0.014 0.000 0.295 96 H C 2.602 177.936 175.328 0.009 0.000 1.082 96 H CA 2.542 58.598 56.048 0.013 0.000 1.295 96 H CB -0.592 29.178 29.762 0.014 0.000 1.380 96 H HN -0.490 7.970 8.280 -0.024 -0.194 0.548 97 V N -0.265 119.424 119.914 -0.376 0.000 2.427 97 V HA -0.270 3.812 4.120 -0.062 0.000 0.248 97 V C 0.521 176.575 176.094 -0.068 0.000 1.051 97 V CA 2.668 64.859 62.300 -0.181 0.000 1.048 97 V CB 0.400 32.070 31.823 -0.254 0.000 0.666 97 V HN -0.730 6.916 8.190 -0.675 0.139 0.456 98 I N -10.954 109.576 120.570 -0.066 0.000 3.914 98 I HA 0.155 4.321 4.170 -0.007 0.000 0.333 98 I C -1.458 174.661 176.117 0.003 0.000 1.449 98 I CA -2.699 58.589 61.300 -0.020 0.000 1.135 98 I CB -0.946 37.042 38.000 -0.020 0.000 1.073 98 I HN -0.750 7.403 8.210 -0.096 0.000 0.401 99 N N 3.601 122.310 118.700 0.015 0.000 2.468 99 N HA -0.138 4.617 4.740 0.025 0.000 0.265 99 N C -0.364 175.163 175.510 0.029 0.000 1.199 99 N CA 1.410 54.477 53.050 0.029 0.000 0.928 99 N CB -0.073 38.443 38.487 0.049 0.000 1.059 99 N HN -0.772 7.561 8.380 0.016 0.056 0.467 100 D N -1.979 118.437 120.400 0.025 0.000 2.737 100 D HA -0.342 4.311 4.640 0.022 0.000 0.238 100 D C -1.713 174.603 176.300 0.026 0.000 1.157 100 D CA 1.168 55.182 54.000 0.024 0.000 0.694 100 D CB -1.504 39.311 40.800 0.025 0.000 1.021 100 D HN 0.235 8.619 8.370 0.024 0.000 0.420 101 A N -2.852 119.983 122.820 0.025 0.000 2.288 101 A HA 0.123 4.551 4.320 0.030 -0.089 0.320 101 A C -0.849 176.751 177.584 0.026 0.000 1.217 101 A CA -1.191 50.863 52.037 0.028 0.000 0.840 101 A CB 2.048 21.067 19.000 0.030 0.000 1.179 101 A HN -0.380 7.784 8.150 0.023 0.000 0.504 102 D N 3.207 123.623 120.400 0.026 0.000 2.162 102 D HA -0.106 4.546 4.640 0.021 0.000 0.203 102 D C 0.112 176.426 176.300 0.025 0.000 0.967 102 D CA 2.117 56.130 54.000 0.023 0.000 0.840 102 D CB 0.788 41.600 40.800 0.020 0.000 0.972 102 D HN 0.103 8.490 8.370 0.028 0.000 0.482 103 Q N -1.821 117.997 119.800 0.030 0.000 2.263 103 Q HA 0.203 4.562 4.340 0.032 0.000 0.266 103 Q C -2.095 173.934 176.000 0.048 0.000 1.002 103 Q CA -0.577 55.247 55.803 0.034 0.000 0.790 103 Q CB 2.586 31.341 28.738 0.028 0.000 1.272 103 Q HN -0.833 7.457 8.270 0.033 0.000 0.435 104 I N 7.208 127.809 120.570 0.051 0.000 2.331 104 I HA 0.371 4.747 4.170 0.077 -0.161 0.292 104 I C -1.053 175.117 176.117 0.088 0.000 0.998 104 I CA -0.436 60.904 61.300 0.067 0.000 1.267 104 I CB 1.024 39.053 38.000 0.050 0.000 1.386 104 I HN 0.608 8.844 8.210 0.044 0.000 0.476 105 I N 7.381 128.030 120.570 0.131 0.000 2.493 105 I HA 0.494 4.872 4.170 0.126 -0.133 0.298 105 I C -1.381 174.871 176.117 0.224 0.000 0.998 105 I CA -1.378 60.015 61.300 0.155 0.000 1.137 105 I CB 3.578 41.649 38.000 0.119 0.000 1.310 105 I HN 0.147 8.452 8.210 0.157 0.000 0.445 106 V N 5.937 125.977 119.914 0.210 0.000 2.531 106 V HA 0.543 4.953 4.120 0.207 -0.165 0.301 106 V C -2.152 174.089 176.094 0.246 0.000 1.034 106 V CA -1.819 60.611 62.300 0.216 0.000 0.865 106 V CB 3.514 35.438 31.823 0.169 0.000 0.995 106 V HN 0.097 8.405 8.190 0.198 0.000 0.424 107 A N 7.471 130.439 122.820 0.245 0.000 2.287 107 A HA 0.707 5.265 4.320 0.164 -0.139 0.317 107 A C -1.705 175.979 177.584 0.166 0.000 1.220 107 A CA -2.090 50.068 52.037 0.202 0.000 0.835 107 A CB 2.358 21.507 19.000 0.249 0.000 1.180 107 A HN 0.504 8.803 8.150 0.249 0.000 0.500 108 L N 2.578 123.900 121.223 0.164 0.000 2.468 108 L HA 0.080 4.491 4.340 0.118 0.000 0.254 108 L C 1.883 178.809 176.870 0.092 0.000 1.171 108 L CA -0.258 54.662 54.840 0.133 0.000 0.809 108 L CB 1.162 43.324 42.059 0.172 0.000 1.155 108 L HN -0.004 8.332 8.230 0.178 0.000 0.473 109 Q N 1.586 121.430 119.800 0.073 0.000 2.378 109 Q HA -0.224 4.150 4.340 0.057 0.000 0.205 109 Q C 0.380 176.409 176.000 0.047 0.000 0.954 109 Q CA 2.438 58.274 55.803 0.056 0.000 0.901 109 Q CB -0.477 28.288 28.738 0.045 0.000 0.981 109 Q HN 0.865 9.178 8.270 0.071 0.000 0.483 110 D N -4.894 115.538 120.400 0.053 0.000 2.340 110 D HA -0.055 4.605 4.640 0.034 0.000 0.220 110 D C 0.714 177.031 176.300 0.028 0.000 1.039 110 D CA -0.531 53.494 54.000 0.041 0.000 0.866 110 D CB -0.944 39.884 40.800 0.047 0.000 0.913 110 D HN -0.491 7.883 8.370 0.065 0.036 0.523 111 G N -0.416 108.401 108.800 0.028 0.000 2.195 111 G HA2 -0.438 3.525 3.960 0.005 0.000 0.224 111 G HA3 -0.438 3.519 3.960 -0.005 0.000 0.224 111 G C -0.344 174.535 174.900 -0.035 0.000 0.990 111 G CA -0.256 44.845 45.100 0.001 0.000 0.639 111 G HN -0.588 7.674 8.290 0.041 0.053 0.514 112 R N 0.843 121.325 120.500 -0.030 0.000 2.594 112 R HA -0.018 4.186 4.340 -0.227 0.000 0.272 112 R C -1.278 174.901 176.300 -0.201 0.000 1.074 112 R CA 0.634 56.638 56.100 -0.160 0.000 1.105 112 R CB 1.167 31.425 30.300 -0.070 0.000 1.008 112 R HN -0.311 8.208 8.270 0.017 -0.238 0.472 113 V N 1.325 120.968 119.914 -0.453 0.000 2.686 113 V HA 0.730 4.978 4.120 -0.089 -0.181 0.306 113 V C -0.527 175.247 176.094 -0.534 0.000 1.065 113 V CA -1.416 60.709 62.300 -0.292 0.000 0.894 113 V CB 2.855 34.584 31.823 -0.157 0.000 1.004 113 V HN 0.013 7.846 8.190 -0.595 0.000 0.424 114 F N 4.948 124.906 119.950 0.013 0.000 2.611 114 F HA 0.407 4.933 4.527 -0.001 0.000 0.324 114 F C -1.308 174.498 175.800 0.009 0.000 1.061 114 F CA -1.832 56.171 58.000 0.004 0.000 0.954 114 F CB 3.907 42.906 39.000 -0.001 0.000 1.301 114 F HN 0.393 8.826 8.300 0.221 0.000 0.482 115 E N 1.122 121.442 120.200 0.199 0.000 2.197 115 E HA 0.375 4.908 4.350 0.105 -0.119 0.281 115 E C -1.581 175.083 176.600 0.106 0.000 0.995 115 E CA -0.802 55.668 56.400 0.118 0.000 0.808 115 E CB 1.822 31.565 29.700 0.071 0.000 1.093 115 E HN 0.278 8.761 8.360 0.206 0.000 0.394 116 A N 5.530 128.395 122.820 0.076 0.000 2.320 116 A HA 0.664 5.152 4.320 0.017 -0.158 0.334 116 A C -1.963 175.635 177.584 0.022 0.000 1.147 116 A CA -1.731 50.328 52.037 0.037 0.000 0.820 116 A CB 2.695 21.717 19.000 0.036 0.000 1.218 116 A HN 0.329 8.526 8.150 0.078 0.000 0.482 117 L N -0.314 120.910 121.223 0.001 0.000 2.346 117 L HA 0.377 4.726 4.340 0.014 0.000 0.276 117 L C -0.646 176.233 176.870 0.015 0.000 1.006 117 L CA -1.184 53.660 54.840 0.007 0.000 0.817 117 L CB 3.379 45.436 42.059 -0.003 0.000 1.272 117 L HN -0.066 8.154 8.230 -0.017 0.000 0.421 118 L N 4.242 125.478 121.223 0.022 0.000 2.418 118 L HA -0.098 4.261 4.340 0.030 0.000 0.274 118 L C -0.107 176.786 176.870 0.039 0.000 1.135 118 L CA 0.674 55.531 54.840 0.028 0.000 0.870 118 L CB 0.047 42.120 42.059 0.023 0.000 1.154 118 L HN 0.237 8.480 8.230 0.021 0.000 0.462 119 V N 6.826 126.775 119.914 0.058 0.000 2.795 119 V HA -0.075 4.090 4.120 0.075 0.000 0.243 119 V C -0.593 175.532 176.094 0.051 0.000 1.069 119 V CA 1.178 63.526 62.300 0.079 0.000 1.089 119 V CB 0.898 32.815 31.823 0.156 0.000 0.756 119 V HN 0.405 8.632 8.190 0.062 0.000 0.471 120 G N -5.096 103.727 108.800 0.038 0.000 2.466 120 G HA2 0.205 4.176 3.960 0.018 0.000 0.291 120 G HA3 0.205 4.174 3.960 0.016 0.000 0.291 120 G C -3.521 171.388 174.900 0.015 0.000 1.460 120 G CA 0.191 45.303 45.100 0.021 0.000 0.791 120 G HN -0.862 7.452 8.290 0.041 0.000 0.505 121 S N -1.037 114.668 115.700 0.009 0.000 2.537 121 S HA 0.586 5.198 4.470 0.006 -0.138 0.270 121 S C -1.862 172.741 174.600 0.005 0.000 1.142 121 S CA -1.040 57.164 58.200 0.007 0.000 0.870 121 S CB 3.096 66.302 63.200 0.009 0.000 1.112 121 S HN 0.220 8.534 8.310 0.008 0.000 0.466 122 D N 1.759 122.162 120.400 0.005 0.000 2.505 122 D HA 0.349 4.989 4.640 0.000 0.000 0.250 122 D C 0.078 176.385 176.300 0.011 0.000 1.164 122 D CA -1.233 52.768 54.000 0.002 0.000 0.870 122 D CB 2.099 42.894 40.800 -0.007 0.000 1.160 122 D HN 0.073 8.446 8.370 0.006 0.000 0.549 123 S N 5.946 121.653 115.700 0.012 0.000 2.387 123 S HA -0.215 4.275 4.470 0.034 0.000 0.226 123 S C 0.804 175.413 174.600 0.016 0.000 1.026 123 S CA 2.402 60.615 58.200 0.021 0.000 0.972 123 S CB 0.204 63.415 63.200 0.017 0.000 0.814 123 S HN 0.359 8.674 8.310 0.008 0.000 0.477 124 L N -1.162 120.061 121.223 -0.000 0.000 2.079 124 L HA -0.206 4.126 4.340 -0.013 0.000 0.210 124 L C 0.190 177.049 176.870 -0.019 0.000 1.081 124 L CA 2.187 57.019 54.840 -0.014 0.000 0.752 124 L CB 0.414 42.457 42.059 -0.027 0.000 0.896 124 L HN -0.603 7.769 8.230 -0.004 -0.144 0.433 125 T N -9.165 105.382 114.554 -0.011 0.000 3.054 125 T HA -0.045 4.282 4.350 -0.038 0.000 0.255 125 T C 0.314 175.035 174.700 0.036 0.000 1.035 125 T CA -0.830 61.261 62.100 -0.014 0.000 0.941 125 T CB 1.377 70.228 68.868 -0.029 0.000 1.026 125 T HN -0.842 7.377 8.240 -0.006 0.017 0.533 126 D N 0.429 120.861 120.400 0.053 0.000 2.837 126 D HA -0.277 4.443 4.640 0.093 -0.024 0.230 126 D C -1.507 174.834 176.300 0.068 0.000 1.152 126 D CA 1.473 55.530 54.000 0.095 0.000 0.736 126 D CB -0.828 40.072 40.800 0.166 0.000 1.084 126 D HN -0.315 7.961 8.370 0.039 0.117 0.429 127 L N -2.806 118.436 121.223 0.033 0.000 2.334 127 L HA 0.504 4.973 4.340 0.013 -0.122 0.276 127 L C -2.150 174.722 176.870 0.002 0.000 1.014 127 L CA -1.107 53.742 54.840 0.015 0.000 0.815 127 L CB 3.001 45.068 42.059 0.014 0.000 1.268 127 L HN -0.770 7.459 8.230 0.026 0.017 0.428 128 A N 1.587 124.402 122.820 -0.008 0.000 2.413 128 A HA 0.771 5.203 4.320 0.002 -0.110 0.307 128 A C -2.262 175.327 177.584 0.009 0.000 1.087 128 A CA -2.037 49.998 52.037 -0.003 0.000 0.750 128 A CB 4.000 22.990 19.000 -0.017 0.000 1.296 128 A HN 0.635 8.777 8.150 -0.014 0.000 0.423 129 V N 0.106 120.036 119.914 0.026 0.000 2.604 129 V HA 0.925 5.283 4.120 0.055 -0.206 0.305 129 V C -1.024 175.116 176.094 0.076 0.000 1.043 129 V CA -1.925 60.410 62.300 0.058 0.000 0.888 129 V CB 2.793 34.656 31.823 0.067 0.000 0.995 129 V HN -0.150 8.055 8.190 0.026 0.000 0.429 130 L N 4.450 125.722 121.223 0.081 0.000 2.298 130 L HA 0.902 5.428 4.340 0.045 -0.159 0.268 130 L C -1.000 175.889 176.870 0.032 0.000 1.010 130 L CA -2.178 52.691 54.840 0.049 0.000 0.812 130 L CB 3.070 45.140 42.059 0.019 0.000 1.331 130 L HN 0.646 8.926 8.230 0.084 0.000 0.450 131 K N -0.013 120.352 120.400 -0.058 0.000 2.553 131 K HA 0.533 4.830 4.320 -0.317 -0.168 0.250 131 K C -1.601 174.889 176.600 -0.184 0.000 0.953 131 K CA -1.097 55.059 56.287 -0.219 0.000 0.800 131 K CB 2.741 35.076 32.500 -0.275 0.000 1.243 131 K HN -0.153 8.073 8.250 -0.040 0.000 0.435 132 I N 0.818 121.237 120.570 -0.252 0.000 2.740 132 I HA 0.568 4.644 4.170 -0.156 0.000 0.303 132 I C -2.291 173.651 176.117 -0.292 0.000 1.044 132 I CA -1.858 59.293 61.300 -0.250 0.000 1.064 132 I CB 3.425 41.205 38.000 -0.367 0.000 1.249 132 I HN 0.163 8.191 8.210 -0.304 0.000 0.433 133 N N 4.565 123.142 118.700 -0.206 0.000 2.511 133 N HA 0.261 4.892 4.740 -0.182 0.000 0.249 133 N C -1.231 174.211 175.510 -0.113 0.000 0.971 133 N CA -0.811 52.149 53.050 -0.150 0.000 0.938 133 N CB 0.331 38.780 38.487 -0.064 0.000 1.131 133 N HN 0.321 8.623 8.380 -0.129 0.000 0.505 134 A N 3.263 125.979 122.820 -0.174 0.000 2.356 134 A HA 0.409 4.837 4.320 0.180 0.000 0.323 134 A C -0.001 177.598 177.584 0.026 0.000 1.119 134 A CA -1.121 50.893 52.037 -0.039 0.000 0.790 134 A CB 1.719 20.559 19.000 -0.265 0.000 1.273 134 A HN -0.011 8.018 8.150 -0.201 0.000 0.452 135 T N -0.433 114.180 114.554 0.099 0.000 2.706 135 T HA -0.092 4.281 4.350 0.038 0.000 0.255 135 T C 0.905 175.629 174.700 0.040 0.000 1.048 135 T CA 0.302 62.437 62.100 0.058 0.000 1.153 135 T CB 0.258 69.165 68.868 0.064 0.000 0.865 135 T HN 0.013 8.355 8.240 0.169 0.000 0.414 136 G N 1.485 110.320 108.800 0.059 0.000 2.525 136 G HA2 -0.026 3.953 3.960 0.031 0.000 0.276 136 G HA3 -0.026 3.965 3.960 0.051 0.000 0.276 136 G C -0.705 174.208 174.900 0.022 0.000 1.388 136 G CA -0.791 44.334 45.100 0.042 0.000 1.050 136 G HN -0.460 7.883 8.290 0.087 0.000 0.520 137 G N -2.816 105.995 108.800 0.019 0.000 2.537 137 G HA2 0.317 4.274 3.960 -0.005 0.000 0.273 137 G HA3 0.317 4.282 3.960 0.008 0.000 0.273 137 G C -1.454 173.448 174.900 0.003 0.000 1.189 137 G CA -0.551 44.552 45.100 0.005 0.000 0.881 137 G HN -0.167 8.137 8.290 0.024 0.000 0.535 138 L N 0.005 121.219 121.223 -0.016 0.000 2.334 138 L HA 0.463 4.798 4.340 -0.009 0.000 0.276 138 L C -2.054 174.812 176.870 -0.006 0.000 1.014 138 L CA -2.714 52.112 54.840 -0.023 0.000 0.815 138 L CB 2.070 44.087 42.059 -0.070 0.000 1.268 138 L HN -0.329 8.049 8.230 -0.019 -0.160 0.428 139 P HA 0.109 4.534 4.420 0.008 0.000 0.276 139 P C -1.623 175.678 177.300 0.002 0.000 1.253 139 P CA -0.455 62.650 63.100 0.008 0.000 0.766 139 P CB 0.154 31.865 31.700 0.018 0.000 0.845 140 T N -0.283 114.271 114.554 0.001 0.000 2.895 140 T HA 0.126 4.607 4.350 0.002 -0.130 0.283 140 T C 0.097 174.796 174.700 -0.002 0.000 1.014 140 T CA -2.357 59.744 62.100 0.001 0.000 1.037 140 T CB 2.383 71.254 68.868 0.004 0.000 1.006 140 T HN -0.118 8.123 8.240 0.002 0.000 0.468 141 I N 3.195 123.763 120.570 -0.004 0.000 2.648 141 I HA 0.058 4.219 4.170 -0.015 0.000 0.284 141 I C -2.004 174.096 176.117 -0.029 0.000 1.153 141 I CA -2.353 58.938 61.300 -0.015 0.000 1.426 141 I CB 1.155 39.146 38.000 -0.015 0.000 1.381 141 I HN -0.073 8.138 8.210 0.001 0.000 0.571 142 P HA 0.090 4.485 4.420 -0.042 0.000 0.271 142 P C -1.752 175.487 177.300 -0.100 0.000 1.220 142 P CA -0.271 62.795 63.100 -0.056 0.000 0.768 142 P CB 0.414 32.083 31.700 -0.052 0.000 0.848 143 I N 2.204 122.716 120.570 -0.095 0.000 2.545 143 I HA 0.177 4.191 4.170 -0.261 0.000 0.292 143 I C -1.223 174.820 176.117 -0.122 0.000 1.040 143 I CA -0.562 60.647 61.300 -0.152 0.000 1.068 143 I CB 3.408 41.367 38.000 -0.068 0.000 1.251 143 I HN -0.002 8.169 8.210 -0.064 0.000 0.424 144 N N 6.642 125.225 118.700 -0.196 0.000 2.682 144 N HA 0.116 4.835 4.740 -0.034 0.000 0.252 144 N C 0.206 175.733 175.510 0.029 0.000 1.081 144 N CA -1.068 51.934 53.050 -0.081 0.000 0.844 144 N CB 0.371 38.805 38.487 -0.088 0.000 1.167 144 N HN 0.212 8.373 8.380 -0.364 0.000 0.523 145 A N 4.548 127.444 122.820 0.127 0.000 2.186 145 A HA -0.167 4.442 4.320 0.481 0.000 0.219 145 A C 0.797 178.497 177.584 0.194 0.000 1.159 145 A CA 2.230 54.419 52.037 0.253 0.000 0.680 145 A CB -0.075 19.014 19.000 0.147 0.000 0.787 145 A HN 0.680 8.882 8.150 0.086 0.000 0.467 146 R N -4.976 115.596 120.500 0.121 0.000 2.308 146 R HA 0.084 4.470 4.340 0.076 0.000 0.202 146 R C 0.105 176.454 176.300 0.083 0.000 0.898 146 R CA -0.313 55.837 56.100 0.082 0.000 1.046 146 R CB 0.975 31.304 30.300 0.048 0.000 1.026 146 R HN -0.511 8.014 8.270 0.092 -0.199 0.512 147 R N 2.092 122.651 120.500 0.098 0.000 2.491 147 R HA -0.124 4.238 4.340 0.037 0.000 0.283 147 R C -1.103 175.258 176.300 0.102 0.000 1.072 147 R CA 0.335 56.473 56.100 0.064 0.000 1.048 147 R CB 0.293 30.593 30.300 -0.000 0.000 0.983 147 R HN -0.504 7.834 8.270 0.102 -0.006 0.450 148 V N 7.104 127.006 119.914 -0.019 0.000 2.378 148 V HA 0.216 4.329 4.120 -0.012 0.000 0.288 148 V C -1.918 173.998 176.094 -0.298 0.000 1.016 148 V CA -3.529 58.700 62.300 -0.118 0.000 0.840 148 V CB 1.941 33.652 31.823 -0.187 0.000 0.994 148 V HN 0.025 8.184 8.190 -0.052 0.000 0.431 149 P HA -0.056 4.322 4.420 -0.070 0.000 0.267 149 P C -1.589 175.591 177.300 -0.200 0.000 1.209 149 P CA -0.133 62.906 63.100 -0.102 0.000 0.763 149 P CB 0.289 32.009 31.700 0.034 0.000 0.816 150 H N 3.899 122.997 119.070 0.045 0.000 2.529 150 H HA 0.277 4.854 4.556 0.034 0.000 0.348 150 H C -0.226 175.118 175.328 0.028 0.000 1.152 150 H CA -1.433 54.635 56.048 0.034 0.000 1.202 150 H CB 3.534 33.312 29.762 0.027 0.000 1.562 150 H HN 0.217 8.841 8.280 0.032 -0.325 0.515 151 I N 1.749 122.420 120.570 0.169 0.000 2.587 151 I HA -0.567 3.651 4.170 0.079 0.000 0.284 151 I C 0.920 177.082 176.117 0.075 0.000 1.134 151 I CA 2.106 63.462 61.300 0.094 0.000 1.410 151 I CB -0.632 37.412 38.000 0.072 0.000 1.392 151 I HN 0.553 8.875 8.210 0.187 0.000 0.545 152 G N 7.076 115.908 108.800 0.053 0.000 2.211 152 G HA2 -0.319 3.655 3.960 0.024 0.000 0.201 152 G HA3 -0.319 3.662 3.960 0.035 0.000 0.201 152 G C -0.515 174.406 174.900 0.034 0.000 0.997 152 G CA -0.658 44.464 45.100 0.036 0.000 0.652 152 G HN 0.284 8.601 8.290 0.046 0.000 0.500 153 D N 2.239 122.669 120.400 0.050 0.000 2.443 153 D HA -0.029 4.636 4.640 0.041 0.000 0.239 153 D C -0.094 176.198 176.300 -0.013 0.000 1.136 153 D CA 1.209 55.230 54.000 0.035 0.000 0.879 153 D CB 0.640 41.469 40.800 0.048 0.000 1.195 153 D HN -0.470 7.942 8.370 0.069 0.000 0.443 154 V N 1.425 121.313 119.914 -0.044 0.000 2.637 154 V HA 0.052 4.253 4.120 -0.127 -0.157 0.296 154 V C -0.093 175.906 176.094 -0.158 0.000 1.046 154 V CA 0.807 63.025 62.300 -0.136 0.000 1.066 154 V CB 0.293 31.976 31.823 -0.233 0.000 0.968 154 V HN 0.172 8.348 8.190 -0.023 0.000 0.483 155 V N -0.338 119.471 119.914 -0.174 0.000 3.007 155 V HA 1.001 5.224 4.120 -0.132 -0.182 0.311 155 V C -1.667 174.333 176.094 -0.157 0.000 1.120 155 V CA -3.127 59.092 62.300 -0.137 0.000 0.980 155 V CB 3.989 35.768 31.823 -0.072 0.000 1.033 155 V HN 0.082 8.165 8.190 -0.179 0.000 0.429 156 L N 0.424 121.576 121.223 -0.119 0.000 2.341 156 L HA 0.775 5.233 4.340 -0.097 -0.176 0.278 156 L C -0.968 175.872 176.870 -0.050 0.000 1.005 156 L CA -2.019 52.768 54.840 -0.089 0.000 0.818 156 L CB 2.676 44.692 42.059 -0.073 0.000 1.259 156 L HN 0.398 8.568 8.230 -0.100 0.000 0.418 157 A N 3.357 126.155 122.820 -0.038 0.000 2.309 157 A HA 0.718 5.181 4.320 -0.019 -0.154 0.298 157 A C -1.483 176.093 177.584 -0.013 0.000 1.165 157 A CA -1.668 50.355 52.037 -0.022 0.000 0.821 157 A CB 1.978 20.964 19.000 -0.023 0.000 1.102 157 A HN 0.444 8.570 8.150 -0.040 0.000 0.500 158 I N 1.961 122.526 120.570 -0.009 0.000 2.447 158 I HA 0.712 5.054 4.170 -0.001 -0.172 0.287 158 I C -0.775 175.338 176.117 -0.007 0.000 1.023 158 I CA -1.381 59.917 61.300 -0.004 0.000 1.083 158 I CB 2.242 40.241 38.000 -0.001 0.000 1.245 158 I HN 0.107 8.313 8.210 -0.008 0.000 0.434 159 G N 4.966 113.761 108.800 -0.008 0.000 2.490 159 G HA2 0.268 4.214 3.960 -0.023 0.000 0.308 159 G HA3 0.268 4.212 3.960 -0.027 0.000 0.308 159 G C -3.347 171.540 174.900 -0.022 0.000 1.286 159 G CA 0.575 45.662 45.100 -0.021 0.000 0.825 159 G HN -0.250 8.038 8.290 -0.004 0.000 0.479 160 N N 0.530 119.202 118.700 -0.046 0.000 2.918 160 N HA 0.718 5.451 4.740 -0.012 0.000 0.270 160 N C -2.162 173.317 175.510 -0.052 0.000 1.536 160 N CA -3.669 49.355 53.050 -0.042 0.000 0.877 160 N CB 1.780 40.217 38.487 -0.083 0.000 1.190 160 N HN -0.113 8.230 8.380 -0.063 0.000 0.492 161 P HA 0.188 4.694 4.420 -0.202 -0.207 0.271 161 P C -0.151 177.164 177.300 0.026 0.000 1.220 161 P CA -0.134 62.913 63.100 -0.090 0.000 0.768 161 P CB 0.130 31.823 31.700 -0.012 0.000 0.848 162 Y N -0.483 119.819 120.300 0.004 0.000 3.875 162 Y HA -0.566 3.993 4.550 0.014 0.000 0.216 162 Y C -0.946 174.968 175.900 0.023 0.000 1.148 162 Y CA 0.986 59.093 58.100 0.013 0.000 1.629 162 Y CB -2.770 35.697 38.460 0.011 0.000 1.506 162 Y HN 0.190 8.181 8.280 -0.483 0.000 0.629 163 N N -3.246 115.516 118.700 0.103 0.000 2.727 163 N HA -0.350 4.576 4.740 0.066 -0.146 0.249 163 N C 0.052 175.634 175.510 0.120 0.000 1.048 163 N CA 1.041 54.153 53.050 0.103 0.000 0.714 163 N CB -0.850 37.720 38.487 0.138 0.000 0.959 163 N HN -0.453 7.903 8.380 0.038 0.047 0.544 164 L N -3.236 118.055 121.223 0.112 0.000 2.592 164 L HA -0.022 4.372 4.340 0.090 0.000 0.227 164 L C 0.380 177.295 176.870 0.076 0.000 1.127 164 L CA 0.111 55.008 54.840 0.095 0.000 0.884 164 L CB -0.163 41.956 42.059 0.100 0.000 1.065 164 L HN -0.564 7.733 8.230 0.112 0.000 0.457 165 G N -1.627 107.219 108.800 0.076 0.000 2.663 165 G HA2 -0.233 3.772 3.960 0.076 0.000 0.686 165 G HA3 -0.233 3.763 3.960 0.061 0.000 0.686 165 G C -1.476 173.453 174.900 0.048 0.000 1.288 165 G CA -0.969 44.171 45.100 0.066 0.000 0.836 165 G HN -0.585 7.920 8.290 0.081 -0.167 0.584 166 Q N 1.869 121.693 119.800 0.041 0.000 2.255 166 Q HA -0.088 4.463 4.340 0.021 -0.198 0.280 166 Q C -0.254 175.765 176.000 0.030 0.000 1.068 166 Q CA 1.066 56.886 55.803 0.029 0.000 0.911 166 Q CB 0.405 29.160 28.738 0.029 0.000 1.157 166 Q HN 0.350 8.647 8.270 0.045 0.000 0.380 167 T N 8.285 122.854 114.554 0.026 0.000 2.855 167 T HA 0.249 4.618 4.350 0.032 0.000 0.281 167 T C -1.877 172.835 174.700 0.021 0.000 1.007 167 T CA -0.235 61.882 62.100 0.029 0.000 1.009 167 T CB 2.279 71.169 68.868 0.038 0.000 0.983 167 T HN 0.441 8.693 8.240 0.020 0.000 0.455 168 I N 3.835 124.419 120.570 0.023 0.000 2.447 168 I HA 0.688 5.063 4.170 0.011 -0.198 0.287 168 I C -0.449 175.679 176.117 0.018 0.000 1.023 168 I CA -1.187 60.124 61.300 0.018 0.000 1.083 168 I CB 2.452 40.467 38.000 0.025 0.000 1.245 168 I HN 0.331 8.558 8.210 0.027 0.000 0.434 169 T N 5.492 120.049 114.554 0.005 0.000 2.887 169 T HA 0.357 4.714 4.350 0.012 0.000 0.288 169 T C -2.095 172.591 174.700 -0.022 0.000 1.021 169 T CA -1.827 60.273 62.100 0.001 0.000 1.000 169 T CB 2.348 71.215 68.868 -0.001 0.000 1.034 169 T HN 0.425 8.663 8.240 -0.002 0.000 0.467 170 Q N 3.864 123.650 119.800 -0.024 0.000 2.266 170 Q HA 0.703 5.131 4.340 -0.107 -0.153 0.261 170 Q C -0.645 175.316 176.000 -0.065 0.000 0.985 170 Q CA -1.082 54.679 55.803 -0.071 0.000 0.873 170 Q CB 3.597 32.297 28.738 -0.062 0.000 1.306 170 Q HN 0.274 8.541 8.270 -0.005 0.000 0.447 171 G N 2.946 111.688 108.800 -0.096 0.000 2.664 171 G HA2 0.702 4.630 3.960 -0.054 0.000 0.303 171 G HA3 0.702 4.782 3.960 -0.062 -0.158 0.303 171 G C -2.647 172.204 174.900 -0.082 0.000 1.243 171 G CA 0.339 45.396 45.100 -0.071 0.000 0.826 171 G HN 0.230 8.441 8.290 -0.132 0.000 0.498 172 I N -5.775 114.761 120.570 -0.056 0.000 3.145 172 I HA 0.969 5.271 4.170 -0.056 -0.166 0.313 172 I C -1.130 174.969 176.117 -0.030 0.000 1.122 172 I CA -2.775 58.499 61.300 -0.043 0.000 0.987 172 I CB 4.513 42.500 38.000 -0.022 0.000 1.236 172 I HN 0.324 8.794 8.210 -0.048 -0.289 0.453 173 I N 1.052 121.616 120.570 -0.010 0.000 2.436 173 I HA -0.041 4.230 4.170 -0.001 -0.101 0.289 173 I C 0.407 176.531 176.117 0.012 0.000 1.083 173 I CA 0.798 62.102 61.300 0.008 0.000 1.372 173 I CB -0.585 37.434 38.000 0.032 0.000 1.408 173 I HN 0.011 8.218 8.210 -0.004 0.000 0.516 174 S N 9.250 124.950 115.700 -0.000 0.000 2.470 174 S HA -0.046 4.427 4.470 0.004 0.000 0.225 174 S C -0.791 173.825 174.600 0.027 0.000 1.006 174 S CA 1.284 59.485 58.200 0.003 0.000 0.934 174 S CB 0.546 63.731 63.200 -0.025 0.000 0.778 174 S HN 0.757 8.957 8.310 -0.012 0.102 0.517 175 A N -2.106 120.740 122.820 0.044 0.000 2.590 175 A HA 0.273 4.630 4.320 0.061 0.000 0.294 175 A C -2.692 174.943 177.584 0.085 0.000 1.046 175 A CA 0.358 52.434 52.037 0.067 0.000 0.684 175 A CB 2.036 21.083 19.000 0.078 0.000 1.279 175 A HN -0.840 7.336 8.150 0.043 0.000 0.415 176 T N -1.374 113.229 114.554 0.081 0.000 3.444 176 T HA 0.113 4.519 4.350 0.092 0.000 0.265 176 T C 0.211 174.954 174.700 0.072 0.000 1.537 176 T CA -1.743 60.404 62.100 0.079 0.000 1.530 176 T CB 0.060 68.964 68.868 0.060 0.000 0.958 176 T HN 0.266 8.551 8.240 0.074 0.000 0.684 177 G N 3.203 112.063 108.800 0.099 0.000 2.661 177 G HA2 -0.319 3.773 3.960 0.101 0.000 0.685 177 G HA3 -0.319 3.732 3.960 0.046 -0.063 0.685 177 G C -1.933 173.005 174.900 0.063 0.000 1.298 177 G CA -0.450 44.697 45.100 0.077 0.000 0.855 177 G HN -0.400 7.968 8.290 0.131 0.000 0.560 178 R N -0.400 120.125 120.500 0.042 0.000 2.621 178 R HA 0.320 4.680 4.340 0.034 0.000 0.284 178 R C 0.622 176.928 176.300 0.010 0.000 0.998 178 R CA -2.268 53.851 56.100 0.031 0.000 0.895 178 R CB 2.803 33.124 30.300 0.036 0.000 1.195 178 R HN -0.203 8.085 8.270 0.029 0.000 0.450 179 I N -2.050 118.525 120.570 0.008 0.000 2.400 179 I HA 0.002 4.168 4.170 -0.006 0.000 0.248 179 I C 0.264 176.378 176.117 -0.005 0.000 1.109 179 I CA 1.052 62.352 61.300 -0.001 0.000 1.425 179 I CB -0.045 37.956 38.000 0.001 0.000 1.094 179 I HN 0.133 8.351 8.210 0.012 0.000 0.425 180 G N 0.096 108.895 108.800 -0.001 0.000 2.562 180 G HA2 0.074 4.030 3.960 -0.006 0.000 0.275 180 G HA3 0.074 4.033 3.960 -0.001 0.000 0.275 180 G C -1.540 173.355 174.900 -0.008 0.000 1.196 180 G CA -0.751 44.347 45.100 -0.004 0.000 0.908 180 G HN -0.526 7.766 8.290 0.004 0.000 0.524 181 L N -0.859 120.357 121.223 -0.011 0.000 2.453 181 L HA -0.071 4.257 4.340 -0.020 0.000 0.272 181 L C -0.243 176.618 176.870 -0.016 0.000 1.182 181 L CA 0.587 55.417 54.840 -0.017 0.000 0.858 181 L CB -0.352 41.697 42.059 -0.017 0.000 1.120 181 L HN 0.053 8.277 8.230 -0.011 0.000 0.474 182 N N 3.641 122.327 118.700 -0.023 0.000 2.732 182 N HA 0.357 5.082 4.740 -0.025 0.000 0.259 182 N C -1.710 173.767 175.510 -0.054 0.000 1.402 182 N CA -1.249 51.783 53.050 -0.029 0.000 0.829 182 N CB 0.664 39.142 38.487 -0.015 0.000 1.495 182 N HN -0.352 8.011 8.380 -0.027 0.000 0.511 183 P HA -0.104 4.259 4.420 -0.094 0.000 0.223 183 P C -0.215 176.983 177.300 -0.171 0.000 1.144 183 P CA 1.819 64.847 63.100 -0.119 0.000 0.783 183 P CB 0.053 31.663 31.700 -0.150 0.000 0.771 184 T N -6.711 107.736 114.554 -0.178 0.000 3.043 184 T HA -0.093 4.067 4.350 -0.316 0.000 0.263 184 T C 1.241 175.882 174.700 -0.098 0.000 1.094 184 T CA 0.277 62.240 62.100 -0.229 0.000 1.127 184 T CB 0.678 69.369 68.868 -0.294 0.000 0.905 184 T HN -0.436 7.979 8.240 -0.140 -0.259 0.490 185 G N 1.676 110.437 108.800 -0.066 0.000 2.179 185 G HA2 -0.371 3.561 3.960 -0.046 0.000 0.260 185 G HA3 -0.371 3.562 3.960 -0.046 0.000 0.260 185 G C -0.554 174.320 174.900 -0.042 0.000 0.977 185 G CA 0.080 45.153 45.100 -0.046 0.000 0.641 185 G HN -0.280 7.946 8.290 -0.068 0.023 0.533 186 R N -2.383 118.099 120.500 -0.031 0.000 2.930 186 R HA 0.352 4.631 4.340 -0.102 0.000 0.257 186 R C -1.295 174.965 176.300 -0.067 0.000 1.107 186 R CA -2.211 53.836 56.100 -0.087 0.000 0.999 186 R CB 2.082 32.250 30.300 -0.219 0.000 1.209 186 R HN -0.559 7.654 8.270 -0.006 0.053 0.486 187 Q N -3.009 116.724 119.800 -0.111 0.000 2.164 187 Q HA 0.181 4.590 4.340 -0.031 -0.088 0.226 187 Q C -0.289 175.670 176.000 -0.068 0.000 0.813 187 Q CA 0.064 55.828 55.803 -0.065 0.000 0.978 187 Q CB 1.249 29.950 28.738 -0.063 0.000 1.149 187 Q HN 0.442 8.614 8.270 -0.164 0.000 0.489 188 N N -2.541 116.075 118.700 -0.139 0.000 2.307 188 N HA 0.032 4.739 4.740 -0.055 0.000 0.248 188 N C -1.482 173.977 175.510 -0.086 0.000 1.322 188 N CA -0.958 52.021 53.050 -0.119 0.000 0.861 188 N CB -0.649 37.741 38.487 -0.162 0.000 1.303 188 N HN -0.117 8.125 8.380 -0.230 0.000 0.498 189 F N 0.549 120.503 119.950 0.006 0.000 2.443 189 F HA -0.024 4.646 4.527 0.054 -0.110 0.353 189 F C -0.617 175.253 175.800 0.117 0.000 1.101 189 F CA 0.413 58.449 58.000 0.061 0.000 1.226 189 F CB 0.736 39.764 39.000 0.046 0.000 1.140 189 F HN -0.663 7.687 8.300 0.084 0.000 0.557 190 L N 2.108 123.560 121.223 0.382 0.000 2.319 190 L HA 0.023 4.614 4.340 0.195 -0.134 0.280 190 L C -0.934 176.082 176.870 0.244 0.000 1.099 190 L CA -0.517 54.469 54.840 0.243 0.000 0.828 190 L CB 0.450 42.613 42.059 0.173 0.000 1.150 190 L HN 0.256 8.730 8.230 0.406 0.000 0.442 191 Q N 5.581 125.472 119.800 0.151 0.000 2.271 191 Q HA 0.698 5.144 4.340 -0.156 -0.200 0.258 191 Q C -1.069 174.885 176.000 -0.077 0.000 0.936 191 Q CA -1.378 54.410 55.803 -0.025 0.000 0.909 191 Q CB 2.982 31.725 28.738 0.009 0.000 1.253 191 Q HN 0.009 8.365 8.270 0.142 0.000 0.440 192 T N 5.462 119.916 114.554 -0.166 0.000 2.903 192 T HA 0.673 5.120 4.350 -0.075 -0.142 0.299 192 T C -1.533 173.085 174.700 -0.137 0.000 1.093 192 T CA -2.891 59.143 62.100 -0.110 0.000 1.002 192 T CB 1.555 70.379 68.868 -0.074 0.000 1.127 192 T HN 0.415 8.492 8.240 -0.272 0.000 0.488 193 D N 4.636 124.982 120.400 -0.091 0.000 2.402 193 D HA 0.189 4.817 4.640 -0.101 -0.048 0.216 193 D C -0.181 176.081 176.300 -0.064 0.000 1.128 193 D CA -1.691 52.260 54.000 -0.081 0.000 0.833 193 D CB -0.055 40.711 40.800 -0.057 0.000 0.971 193 D HN -0.113 8.214 8.370 -0.072 0.000 0.503 194 A N 1.018 123.799 122.820 -0.065 0.000 2.492 194 A HA -0.021 4.421 4.320 -0.045 -0.149 0.254 194 A C -0.372 177.183 177.584 -0.048 0.000 1.091 194 A CA 0.317 52.322 52.037 -0.053 0.000 0.768 194 A CB 0.394 19.361 19.000 -0.056 0.000 1.028 194 A HN -0.748 7.314 8.150 -0.070 0.046 0.498 195 S N 2.252 117.933 115.700 -0.032 0.000 2.575 195 S HA -0.153 4.298 4.470 -0.030 0.000 0.295 195 S C -1.132 173.454 174.600 -0.024 0.000 1.267 195 S CA 0.515 58.701 58.200 -0.023 0.000 1.074 195 S CB 0.431 63.629 63.200 -0.002 0.000 0.829 195 S HN 0.189 8.483 8.310 -0.025 0.000 0.497 196 I N 4.314 124.865 120.570 -0.032 0.000 2.436 196 I HA 0.067 4.218 4.170 -0.032 0.000 0.289 196 I C -0.895 175.199 176.117 -0.038 0.000 1.010 196 I CA -1.731 59.547 61.300 -0.036 0.000 1.098 196 I CB 0.462 38.435 38.000 -0.045 0.000 1.266 196 I HN 0.155 8.342 8.210 -0.038 0.000 0.434 197 N N 7.338 125.999 118.700 -0.065 0.000 2.469 197 N HA 0.448 5.129 4.740 -0.098 0.000 0.286 197 N C -3.290 172.074 175.510 -0.243 0.000 1.275 197 N CA -2.027 50.939 53.050 -0.140 0.000 0.790 197 N CB 2.045 40.454 38.487 -0.131 0.000 1.446 197 N HN 0.353 9.019 8.380 -0.067 -0.326 0.501 198 P HA -0.144 4.167 4.420 -0.180 0.000 0.262 198 P C -0.345 176.750 177.300 -0.342 0.000 1.182 198 P CA 1.381 64.291 63.100 -0.318 0.000 0.761 198 P CB 0.020 31.505 31.700 -0.357 0.000 0.795 199 G N 2.327 111.021 108.800 -0.176 0.000 2.201 199 G HA2 -0.438 3.450 3.960 -0.121 0.000 0.212 199 G HA3 -0.438 3.562 3.960 -0.173 -0.143 0.212 199 G C 0.656 175.493 174.900 -0.105 0.000 0.994 199 G CA 0.918 45.931 45.100 -0.145 0.000 0.644 199 G HN 0.617 8.839 8.290 -0.114 0.000 0.508 200 N N -0.122 118.526 118.700 -0.087 0.000 2.424 200 N HA -0.011 4.699 4.740 -0.050 0.000 0.178 200 N C 0.028 175.528 175.510 -0.018 0.000 1.060 200 N CA 0.954 53.974 53.050 -0.049 0.000 0.901 200 N CB 1.168 39.629 38.487 -0.044 0.000 0.979 200 N HN -0.206 8.054 8.380 -0.100 0.059 0.451 201 S N -1.350 114.354 115.700 0.006 0.000 2.552 201 S HA -0.376 4.311 4.470 0.070 -0.175 0.289 201 S C 0.798 175.392 174.600 -0.009 0.000 1.304 201 S CA 2.595 60.824 58.200 0.048 0.000 1.063 201 S CB 0.102 63.398 63.200 0.161 0.000 0.848 201 S HN -0.489 7.824 8.310 0.004 0.000 0.499 202 G N 4.085 112.887 108.800 0.002 0.000 2.199 202 G HA2 -0.453 3.502 3.960 -0.009 0.000 0.254 202 G HA3 -0.453 3.637 3.960 -0.049 -0.159 0.254 202 G C -0.328 174.569 174.900 -0.006 0.000 0.982 202 G CA 0.158 45.246 45.100 -0.019 0.000 0.632 202 G HN 0.573 8.971 8.290 0.034 -0.088 0.529 203 G N 0.062 108.861 108.800 -0.001 0.000 2.543 203 G HA2 0.413 4.370 3.960 -0.005 0.000 0.290 203 G HA3 0.413 4.514 3.960 -0.006 -0.145 0.290 203 G C -2.452 172.456 174.900 0.014 0.000 1.310 203 G CA -1.603 43.496 45.100 -0.001 0.000 1.025 203 G HN -0.502 7.715 8.290 0.001 0.073 0.502 204 A N -1.949 120.876 122.820 0.008 0.000 2.305 204 A HA 0.547 4.880 4.320 0.022 0.000 0.322 204 A C -2.142 175.445 177.584 0.005 0.000 1.187 204 A CA -1.669 50.374 52.037 0.010 0.000 0.825 204 A CB 2.579 21.580 19.000 0.001 0.000 1.164 204 A HN -0.193 7.959 8.150 0.002 0.000 0.498 205 L N 5.341 126.572 121.223 0.013 0.000 2.280 205 L HA 0.839 5.385 4.340 -0.011 -0.213 0.287 205 L C -1.585 175.276 176.870 -0.015 0.000 1.023 205 L CA -1.111 53.730 54.840 0.001 0.000 0.819 205 L CB 2.646 44.718 42.059 0.021 0.000 1.212 205 L HN 0.082 8.329 8.230 0.028 0.000 0.420 206 V N 1.147 121.039 119.914 -0.037 0.000 3.046 206 V HA 0.956 5.200 4.120 -0.070 -0.166 0.316 206 V C -1.366 174.689 176.094 -0.065 0.000 1.104 206 V CA -3.928 58.338 62.300 -0.057 0.000 1.006 206 V CB 3.625 35.416 31.823 -0.053 0.000 1.058 206 V HN 0.344 8.511 8.190 -0.039 0.000 0.440 207 N N 0.219 118.878 118.700 -0.068 0.000 2.514 207 N HA 0.454 5.322 4.740 -0.078 -0.175 0.299 207 N C 1.843 177.320 175.510 -0.054 0.000 1.292 207 N CA -1.552 51.460 53.050 -0.064 0.000 0.963 207 N CB 0.833 39.294 38.487 -0.044 0.000 1.124 207 N HN -0.280 8.054 8.380 -0.076 0.000 0.580 208 S N -1.195 114.487 115.700 -0.030 0.000 2.607 208 S HA -0.108 4.383 4.470 0.035 0.000 0.224 208 S C 0.489 175.127 174.600 0.063 0.000 0.969 208 S CA 1.863 60.089 58.200 0.044 0.000 0.927 208 S CB -0.903 62.376 63.200 0.131 0.000 0.772 208 S HN 0.332 8.627 8.310 -0.024 0.000 0.533 209 L N -2.614 118.620 121.223 0.019 0.000 2.590 209 L HA 0.245 4.600 4.340 0.026 0.000 0.227 209 L C 0.339 177.205 176.870 -0.006 0.000 1.099 209 L CA -0.126 54.721 54.840 0.011 0.000 0.872 209 L CB 0.577 42.634 42.059 -0.003 0.000 1.088 209 L HN -0.587 7.842 8.230 -0.002 -0.199 0.479 210 G N -2.559 106.229 108.800 -0.019 0.000 2.159 210 G HA2 -0.442 3.503 3.960 -0.025 0.000 0.227 210 G HA3 -0.442 3.506 3.960 -0.020 0.000 0.227 210 G C -0.654 174.208 174.900 -0.063 0.000 0.986 210 G CA -0.229 44.854 45.100 -0.030 0.000 0.651 210 G HN -0.481 7.769 8.290 -0.021 0.027 0.523 211 E N 0.252 120.398 120.200 -0.091 0.000 2.259 211 E HA -0.046 4.378 4.350 -0.159 -0.169 0.281 211 E C -0.309 176.162 176.600 -0.215 0.000 1.037 211 E CA -0.858 55.445 56.400 -0.161 0.000 0.854 211 E CB 0.905 30.498 29.700 -0.179 0.000 1.051 211 E HN -0.596 7.933 8.360 -0.078 -0.215 0.409 212 L N 5.613 126.673 121.223 -0.272 0.000 2.559 212 L HA -0.289 3.966 4.340 -0.142 0.000 0.274 212 L C -0.890 175.751 176.870 -0.382 0.000 1.205 212 L CA 1.581 56.269 54.840 -0.253 0.000 0.907 212 L CB 0.232 42.172 42.059 -0.197 0.000 1.153 212 L HN -0.030 8.041 8.230 -0.266 0.000 0.490 213 M N 4.182 123.724 119.600 -0.096 0.000 2.653 213 M HA 0.298 4.855 4.480 0.128 0.000 0.259 213 M C -0.296 176.166 176.300 0.270 0.000 1.244 213 M CA 0.201 55.557 55.300 0.093 0.000 1.163 213 M CB 1.839 34.472 32.600 0.054 0.000 1.309 213 M HN 0.825 9.087 8.290 -0.047 0.000 0.509 214 G N -3.630 105.272 108.800 0.170 0.000 2.356 214 G HA2 0.225 4.436 3.960 0.218 0.000 0.294 214 G HA3 0.225 4.328 3.960 0.168 -0.043 0.294 214 G C -3.021 171.951 174.900 0.121 0.000 1.423 214 G CA 0.512 45.717 45.100 0.176 0.000 0.806 214 G HN -0.605 7.747 8.290 0.103 0.000 0.527 215 I N -0.777 119.867 120.570 0.123 0.000 2.339 215 I HA 0.654 5.057 4.170 0.076 -0.187 0.290 215 I C -0.503 175.682 176.117 0.112 0.000 0.994 215 I CA -3.796 57.563 61.300 0.097 0.000 1.191 215 I CB 0.281 38.334 38.000 0.088 0.000 1.343 215 I HN -0.083 8.210 8.210 0.138 0.000 0.458 216 N N 8.651 127.401 118.700 0.082 0.000 2.492 216 N HA 0.128 5.104 4.740 0.096 -0.178 0.260 216 N C -0.129 175.444 175.510 0.105 0.000 1.215 216 N CA 0.720 53.820 53.050 0.082 0.000 0.923 216 N CB 0.704 39.216 38.487 0.041 0.000 1.092 216 N HN -0.018 8.399 8.380 0.062 0.000 0.448 217 T N 1.483 116.111 114.554 0.122 0.000 2.910 217 T HA 0.461 5.131 4.350 0.192 -0.206 0.287 217 T C -0.684 174.079 174.700 0.106 0.000 1.050 217 T CA -1.655 60.537 62.100 0.152 0.000 1.011 217 T CB 3.186 72.155 68.868 0.168 0.000 1.195 217 T HN -0.230 8.078 8.240 0.114 0.000 0.540 218 L N 1.420 122.695 121.223 0.087 0.000 2.640 218 L HA -0.191 4.162 4.340 0.022 0.000 0.280 218 L C -0.085 176.819 176.870 0.057 0.000 1.229 218 L CA 1.873 56.722 54.840 0.015 0.000 0.919 218 L CB -0.075 41.918 42.059 -0.111 0.000 1.168 218 L HN 0.497 8.797 8.230 0.116 0.000 0.496 219 S N 2.403 118.143 115.700 0.066 0.000 2.671 219 S HA 0.103 4.702 4.470 0.216 0.000 0.272 219 S C -0.892 173.839 174.600 0.218 0.000 1.174 219 S CA -0.154 58.126 58.200 0.133 0.000 1.004 219 S CB 0.945 64.164 63.200 0.031 0.000 1.077 219 S HN -0.370 7.959 8.310 0.032 0.000 0.553 228 T N 2.229 116.703 114.554 -0.133 0.000 3.410 228 T HA 0.324 4.588 4.350 -0.143 0.000 0.328 228 T C -2.543 172.072 174.700 -0.142 0.000 1.567 228 T CA -1.726 60.297 62.100 -0.127 0.000 1.626 228 T CB 0.359 69.183 68.868 -0.073 0.000 0.939 228 T HN -0.243 7.931 8.240 -0.110 0.000 0.656 229 P HA 0.154 4.495 4.420 -0.131 0.000 0.272 229 P C -1.845 175.384 177.300 -0.118 0.000 1.230 229 P CA -0.390 62.591 63.100 -0.199 0.000 0.788 229 P CB 0.732 32.190 31.700 -0.404 0.000 0.949 230 E N 0.918 121.079 120.200 -0.066 0.000 2.241 230 E HA 0.053 4.370 4.350 -0.054 0.000 0.263 230 E C -0.161 176.415 176.600 -0.041 0.000 0.882 230 E CA -0.235 56.136 56.400 -0.049 0.000 0.769 230 E CB 1.053 30.733 29.700 -0.034 0.000 1.185 230 E HN 0.191 8.523 8.360 -0.047 0.000 0.415 231 G N 3.047 111.816 108.800 -0.051 0.000 2.256 231 G HA2 -0.360 3.562 3.960 -0.063 0.000 0.272 231 G HA3 -0.360 3.570 3.960 -0.049 0.000 0.272 231 G C -1.430 173.416 174.900 -0.090 0.000 1.076 231 G CA 0.328 45.392 45.100 -0.060 0.000 0.882 231 G HN 0.524 8.783 8.290 -0.052 0.000 0.497 232 I N -0.066 120.438 120.570 -0.110 0.000 2.521 232 I HA 0.054 4.076 4.170 -0.248 0.000 0.277 232 I C -1.875 174.036 176.117 -0.344 0.000 1.054 232 I CA -0.710 60.476 61.300 -0.191 0.000 1.117 232 I CB 0.293 38.292 38.000 -0.001 0.000 1.217 232 I HN -0.524 7.630 8.210 -0.093 0.000 0.469 233 G N 4.449 112.929 108.800 -0.532 0.000 2.658 233 G HA2 0.804 4.502 3.960 -0.437 0.000 0.292 233 G HA3 0.804 4.589 3.960 -0.292 0.000 0.292 233 G C -2.637 171.764 174.900 -0.832 0.000 1.320 233 G CA -1.392 43.390 45.100 -0.530 0.000 0.933 233 G HN 0.054 8.051 8.290 -0.487 0.000 0.476 234 F N -2.557 117.322 119.950 -0.119 0.000 2.603 234 F HA 1.045 5.724 4.527 -0.120 -0.225 0.317 234 F C -1.712 174.047 175.800 -0.069 0.000 1.066 234 F CA -2.022 55.865 58.000 -0.188 0.000 0.941 234 F CB 5.167 43.813 39.000 -0.590 0.000 1.291 234 F HN -0.511 7.748 8.300 -0.067 0.000 0.472 235 A N -1.487 121.495 122.820 0.269 0.000 2.549 235 A HA 0.729 5.355 4.320 0.236 -0.164 0.297 235 A C -2.094 175.729 177.584 0.398 0.000 1.061 235 A CA -1.499 50.698 52.037 0.266 0.000 0.690 235 A CB 3.836 22.934 19.000 0.164 0.000 1.287 235 A HN 0.540 8.901 8.150 0.352 0.000 0.402 236 I N 0.770 121.526 120.570 0.309 0.000 2.529 236 I HA 0.262 4.538 4.170 0.177 0.000 0.284 236 I C -1.662 174.533 176.117 0.129 0.000 1.082 236 I CA -3.687 57.729 61.300 0.192 0.000 1.406 236 I CB -0.298 37.771 38.000 0.116 0.000 1.405 236 I HN 0.014 8.383 8.210 0.264 0.000 0.548 237 P HA 0.074 4.667 4.420 0.086 -0.122 0.266 237 P C 0.905 178.202 177.300 -0.006 0.000 1.195 237 P CA 0.068 63.179 63.100 0.018 0.000 0.768 237 P CB 0.167 31.815 31.700 -0.087 0.000 0.838 238 F N 3.806 123.759 119.950 0.005 0.000 2.216 238 F HA -0.352 4.178 4.527 0.004 0.000 0.300 238 F C 1.108 176.901 175.800 -0.012 0.000 1.085 238 F CA 3.848 61.847 58.000 -0.001 0.000 1.326 238 F CB -0.579 38.419 39.000 -0.004 0.000 1.027 238 F HN -0.247 8.221 8.300 0.281 0.000 0.497 239 Q N -0.228 118.999 119.800 -0.956 0.000 2.084 239 Q HA -0.358 3.668 4.340 -0.524 0.000 0.202 239 Q C 2.143 177.983 176.000 -0.267 0.000 0.978 239 Q CA 3.324 58.743 55.803 -0.641 0.000 0.844 239 Q CB -1.028 27.296 28.738 -0.690 0.000 0.898 239 Q HN 0.112 7.571 8.270 -1.333 0.012 0.426 240 L N -1.034 120.056 121.223 -0.223 0.000 2.056 240 L HA -0.256 4.006 4.340 -0.131 0.000 0.207 240 L C 1.228 178.050 176.870 -0.080 0.000 1.078 240 L CA 2.490 57.250 54.840 -0.134 0.000 0.749 240 L CB -0.727 41.257 42.059 -0.127 0.000 0.901 240 L HN -0.770 7.306 8.230 -0.256 0.000 0.433 241 A N -2.186 120.606 122.820 -0.046 0.000 1.930 241 A HA -0.320 3.995 4.320 -0.009 0.000 0.217 241 A C 2.121 179.705 177.584 -0.001 0.000 1.175 241 A CA 3.244 55.279 52.037 -0.002 0.000 0.627 241 A CB -0.805 18.222 19.000 0.045 0.000 0.815 241 A HN -0.292 7.828 8.150 -0.049 0.000 0.443 242 T N 0.070 114.628 114.554 0.007 0.000 2.777 242 T HA -0.430 3.930 4.350 0.017 0.000 0.266 242 T C 1.983 176.667 174.700 -0.025 0.000 1.040 242 T CA 4.975 67.081 62.100 0.011 0.000 1.141 242 T CB -0.176 68.719 68.868 0.044 0.000 0.868 242 T HN -0.405 7.838 8.240 0.006 0.000 0.444 243 K N 1.429 121.803 120.400 -0.043 0.000 2.057 243 K HA -0.274 4.016 4.320 -0.049 0.000 0.207 243 K C 2.361 178.931 176.600 -0.050 0.000 1.049 243 K CA 3.343 59.599 56.287 -0.052 0.000 0.931 243 K CB -0.230 32.232 32.500 -0.064 0.000 0.714 243 K HN -0.810 7.408 8.250 -0.053 0.000 0.440 244 I N -0.556 119.986 120.570 -0.046 0.000 2.286 244 I HA -0.399 3.745 4.170 -0.044 0.000 0.248 244 I C 1.808 177.899 176.117 -0.043 0.000 1.115 244 I CA 2.870 64.145 61.300 -0.042 0.000 1.392 244 I CB -0.633 37.347 38.000 -0.034 0.000 1.065 244 I HN -0.471 7.712 8.210 -0.045 0.000 0.418 245 M N 0.472 120.046 119.600 -0.043 0.000 2.132 245 M HA -0.470 3.982 4.480 -0.048 0.000 0.263 245 M C 1.506 177.746 176.300 -0.099 0.000 1.065 245 M CA 4.301 59.566 55.300 -0.058 0.000 1.122 245 M CB -0.217 32.355 32.600 -0.048 0.000 1.365 245 M HN -0.396 7.771 8.290 -0.036 0.102 0.411 246 D N -0.554 119.790 120.400 -0.094 0.000 2.144 246 D HA -0.292 4.254 4.640 -0.157 0.000 0.199 246 D C 2.499 178.741 176.300 -0.098 0.000 0.984 246 D CA 3.462 57.394 54.000 -0.113 0.000 0.834 246 D CB -0.686 40.064 40.800 -0.083 0.000 0.955 246 D HN -0.450 7.875 8.370 -0.074 0.000 0.465 247 K N -0.890 119.468 120.400 -0.071 0.000 2.057 247 K HA -0.245 4.043 4.320 -0.053 0.000 0.207 247 K C 2.413 178.981 176.600 -0.055 0.000 1.049 247 K CA 3.198 59.451 56.287 -0.056 0.000 0.931 247 K CB 0.017 32.491 32.500 -0.044 0.000 0.714 247 K HN -0.861 7.350 8.250 -0.064 0.000 0.440 248 L N -1.908 119.281 121.223 -0.057 0.000 2.093 248 L HA -0.322 3.912 4.340 -0.029 0.088 0.208 248 L C 2.201 179.038 176.870 -0.055 0.000 1.085 248 L CA 2.736 57.551 54.840 -0.043 0.000 0.755 248 L CB -0.433 41.608 42.059 -0.030 0.000 0.904 248 L HN -0.744 7.366 8.230 -0.061 0.084 0.435 249 I N -3.582 116.916 120.570 -0.120 0.000 2.252 249 I HA -0.455 3.643 4.170 -0.119 0.000 0.245 249 I C 1.273 177.339 176.117 -0.086 0.000 1.102 249 I CA 3.018 64.215 61.300 -0.172 0.000 1.385 249 I CB -0.094 37.648 38.000 -0.429 0.000 1.064 249 I HN -0.464 7.659 8.210 -0.145 0.000 0.414 250 R N -3.066 117.388 120.500 -0.077 0.000 2.087 250 R HA -0.108 4.214 4.340 -0.031 0.000 0.213 250 R C 1.275 177.560 176.300 -0.025 0.000 1.137 250 R CA 1.335 57.409 56.100 -0.043 0.000 1.022 250 R CB 0.448 30.720 30.300 -0.047 0.000 0.920 250 R HN -0.854 7.364 8.270 -0.087 0.000 0.451 251 D N -0.587 119.796 120.400 -0.029 0.000 2.117 251 D HA -0.060 4.571 4.640 -0.015 0.000 0.198 251 D C 0.932 177.225 176.300 -0.011 0.000 0.982 251 D CA 0.732 54.720 54.000 -0.019 0.000 0.828 251 D CB 0.242 41.029 40.800 -0.022 0.000 0.967 251 D HN -0.385 7.962 8.370 -0.037 0.000 0.464 252 G N 0.000 108.793 108.800 -0.012 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 252 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 252 G HN 0.000 8.173 8.290 -0.021 0.105 0.925