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 3ab2_1_G DATA FIRST_RESID 1 DATA SEQUENCE MALVVQKYGG SSLESAERIR NVAERIVATK KAGNDVVVVC SAMGDTTDEL DATA SEQUENCE LELAAAVNPV PPAREMDMLL TAGERISNAL VAMAIESLGA EAQSFTGSQA DATA SEQUENCE GVXXXXXXXX XXXVDVTPGR VREALDEGKI CIVAGFXXXX XXXXXXXXXX DATA SEQUENCE RGGSDTTAVA LAAALNADVC EIYSDVDGVY TADPRIVPNA QKLEKLSFEE DATA SEQUENCE MLELAAVGSK ILVLRSVEYA RAFNVPLRVR SSYSNDPGTL IAGSMEDIPV DATA SEQUENCE EEAVLTGVAT DKSEAKVTVL GISDKPGEAA KVFRALADAE INIDMVLQNV DATA SEQUENCE SSVEDGTTDI TFTCPRSDGR RAMEILKKLQ VQGNWTNVLY DDQVGKVSLV DATA SEQUENCE GAGMKSHPGV TAEFMEALRD VNVNIELIST SEIRISVLIR EDDLDAAARA DATA SEQUENCE LHEQFQLG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.007 0.000 1.302 2 A N 0.394 123.221 122.820 0.011 0.000 2.356 2 A HA 0.953 5.273 4.320 -0.000 0.000 0.323 2 A C -0.764 176.828 177.584 0.013 0.000 1.119 2 A CA -0.749 51.295 52.037 0.012 0.000 0.790 2 A CB 1.265 20.273 19.000 0.014 0.000 1.273 2 A HN 1.213 nan 8.150 nan 0.000 0.452 3 L N 2.287 123.518 121.223 0.012 0.000 2.333 3 L HA 0.654 4.994 4.340 -0.000 0.000 0.280 3 L C -1.482 175.398 176.870 0.017 0.000 1.004 3 L CA -0.727 54.119 54.840 0.011 0.000 0.820 3 L CB 1.786 43.845 42.059 0.000 0.000 1.247 3 L HN 0.475 nan 8.230 nan 0.000 0.416 4 V N 5.430 125.359 119.914 0.026 0.000 2.443 4 V HA 0.325 4.445 4.120 -0.000 0.000 0.293 4 V C -0.083 176.035 176.094 0.040 0.000 1.021 4 V CA -0.679 61.643 62.300 0.036 0.000 0.848 4 V CB 1.858 33.714 31.823 0.055 0.000 0.998 4 V HN 0.426 nan 8.190 nan 0.000 0.424 5 V N 5.461 125.392 119.914 0.028 0.000 2.461 5 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 5 V C 0.048 176.165 176.094 0.039 0.000 1.047 5 V CA -0.275 62.040 62.300 0.026 0.000 0.955 5 V CB 1.232 33.056 31.823 0.002 0.000 0.988 5 V HN 0.907 nan 8.190 nan 0.000 0.471 6 Q N 4.019 123.856 119.800 0.062 0.000 2.330 6 Q HA 0.484 4.824 4.340 -0.000 0.000 0.269 6 Q C -0.711 175.271 176.000 -0.030 0.000 1.022 6 Q CA -0.742 55.088 55.803 0.045 0.000 0.796 6 Q CB 2.808 31.634 28.738 0.146 0.000 1.271 6 Q HN 0.508 nan 8.270 nan 0.000 0.450 7 K N 2.814 123.133 120.400 -0.134 0.000 2.292 7 K HA 0.376 4.696 4.320 -0.000 0.000 0.257 7 K C -1.777 174.681 176.600 -0.236 0.000 0.940 7 K CA -0.551 55.683 56.287 -0.088 0.000 0.811 7 K CB 1.032 33.520 32.500 -0.020 0.000 1.120 7 K HN 0.564 nan 8.250 nan 0.000 0.428 8 Y N 0.778 121.162 120.300 0.140 0.000 2.328 8 Y HA 0.356 4.906 4.550 0.000 0.000 0.336 8 Y C 0.942 176.902 175.900 0.101 0.000 0.960 8 Y CA -0.504 57.676 58.100 0.133 0.000 1.134 8 Y CB 1.968 40.472 38.460 0.074 0.000 1.166 8 Y HN 0.745 nan 8.280 nan 0.000 0.464 9 G N 0.811 109.742 108.800 0.219 0.000 2.621 9 G HA2 0.333 4.293 3.960 -0.000 0.000 0.271 9 G HA3 0.333 4.293 3.960 -0.000 0.000 0.271 9 G C 1.098 176.089 174.900 0.152 0.000 1.236 9 G CA -0.191 44.999 45.100 0.149 0.000 0.958 9 G HN 0.858 nan 8.290 nan 0.000 0.512 10 G N -0.352 108.515 108.800 0.112 0.000 2.442 10 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 10 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 10 G C 2.182 177.151 174.900 0.116 0.000 1.141 10 G CA 2.000 47.160 45.100 0.100 0.000 0.763 10 G HN 0.950 nan 8.290 nan 0.000 0.554 11 S N 0.732 116.507 115.700 0.126 0.000 2.370 11 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 11 S C 2.394 177.156 174.600 0.270 0.000 1.033 11 S CA 1.824 60.126 58.200 0.169 0.000 1.011 11 S CB -0.505 62.761 63.200 0.109 0.000 0.852 11 S HN 0.239 nan 8.310 nan 0.000 0.457 12 S N 1.726 117.587 115.700 0.267 0.000 2.428 12 S HA 0.244 4.714 4.470 -0.000 0.000 0.230 12 S C 1.105 175.801 174.600 0.159 0.000 1.014 12 S CA 0.713 59.105 58.200 0.320 0.000 0.957 12 S CB -0.351 63.083 63.200 0.389 0.000 0.784 12 S HN 0.501 nan 8.310 nan 0.000 0.499 13 L N 1.141 122.434 121.223 0.118 0.000 3.094 13 L HA 0.366 4.706 4.340 -0.000 0.000 0.254 13 L C 1.455 178.352 176.870 0.046 0.000 1.298 13 L CA -0.071 54.797 54.840 0.046 0.000 1.050 13 L CB 0.088 42.172 42.059 0.041 0.000 1.420 13 L HN 0.092 nan 8.230 nan 0.000 0.548 14 E N 1.329 121.566 120.200 0.062 0.000 2.106 14 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 14 E C 0.889 177.500 176.600 0.019 0.000 0.984 14 E CA 1.022 57.453 56.400 0.052 0.000 0.806 14 E CB 0.434 30.178 29.700 0.073 0.000 0.750 14 E HN 0.534 nan 8.360 nan 0.000 0.458 15 S N -2.632 113.066 115.700 -0.003 0.000 2.720 15 S HA 0.688 5.158 4.470 -0.000 0.000 0.287 15 S C 0.856 175.438 174.600 -0.031 0.000 1.168 15 S CA -0.473 57.717 58.200 -0.017 0.000 0.832 15 S CB 0.942 64.126 63.200 -0.026 0.000 1.166 15 S HN 0.056 nan 8.310 nan 0.000 0.493 16 A N 0.492 123.293 122.820 -0.031 0.000 1.902 16 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 16 A C 1.984 179.539 177.584 -0.050 0.000 1.181 16 A CA 1.738 53.753 52.037 -0.037 0.000 0.623 16 A CB -1.169 17.813 19.000 -0.030 0.000 0.818 16 A HN 0.920 nan 8.150 nan 0.000 0.443 17 E N -0.369 119.800 120.200 -0.053 0.000 2.077 17 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 17 E C 2.322 178.871 176.600 -0.084 0.000 0.989 17 E CA 0.964 57.326 56.400 -0.064 0.000 0.800 17 E CB -0.089 29.572 29.700 -0.065 0.000 0.746 17 E HN 0.562 nan 8.360 nan 0.000 0.452 18 R N 0.015 120.460 120.500 -0.091 0.000 2.092 18 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 18 R C 2.493 178.732 176.300 -0.101 0.000 1.119 18 R CA 0.865 56.900 56.100 -0.108 0.000 0.970 18 R CB -0.217 30.024 30.300 -0.099 0.000 0.864 18 R HN 0.255 nan 8.270 nan 0.000 0.440 19 I N 0.535 121.052 120.570 -0.088 0.000 2.226 19 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 19 I C 2.506 178.551 176.117 -0.121 0.000 1.100 19 I CA 1.413 62.649 61.300 -0.107 0.000 1.374 19 I CB -0.149 37.806 38.000 -0.075 0.000 1.057 19 I HN 0.136 nan 8.210 nan 0.000 0.413 20 R N 0.213 120.657 120.500 -0.093 0.000 2.075 20 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 20 R C 2.110 178.352 176.300 -0.095 0.000 1.126 20 R CA 1.825 57.874 56.100 -0.085 0.000 0.963 20 R CB -0.580 29.682 30.300 -0.064 0.000 0.858 20 R HN 0.377 nan 8.270 nan 0.000 0.435 21 N N 0.312 118.954 118.700 -0.097 0.000 2.061 21 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 21 N C 1.654 177.089 175.510 -0.125 0.000 1.030 21 N CA 1.568 54.562 53.050 -0.094 0.000 0.856 21 N CB 0.005 38.437 38.487 -0.091 0.000 1.023 21 N HN -0.065 nan 8.380 nan 0.000 0.424 22 V N 0.698 120.499 119.914 -0.189 0.000 2.407 22 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 22 V C 2.374 178.279 176.094 -0.315 0.000 1.055 22 V CA 1.770 63.864 62.300 -0.345 0.000 1.049 22 V CB -1.175 30.307 31.823 -0.568 0.000 0.662 22 V HN 0.510 nan 8.190 nan 0.000 0.455 23 A N -0.485 122.204 122.820 -0.219 0.000 1.948 23 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 23 A C 2.346 179.869 177.584 -0.102 0.000 1.177 23 A CA 2.091 54.039 52.037 -0.148 0.000 0.636 23 A CB -0.464 18.473 19.000 -0.105 0.000 0.815 23 A HN 0.536 nan 8.150 nan 0.000 0.449 24 E N 0.060 120.206 120.200 -0.090 0.000 2.072 24 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 24 E C 2.288 178.862 176.600 -0.044 0.000 0.985 24 E CA 0.945 57.312 56.400 -0.055 0.000 0.801 24 E CB -0.219 29.454 29.700 -0.044 0.000 0.750 24 E HN 0.650 nan 8.360 nan 0.000 0.452 25 R N 0.177 120.638 120.500 -0.065 0.000 2.080 25 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 25 R C 2.672 178.966 176.300 -0.010 0.000 1.137 25 R CA 1.696 57.773 56.100 -0.039 0.000 0.943 25 R CB -0.484 29.763 30.300 -0.088 0.000 0.846 25 R HN 0.232 nan 8.270 nan 0.000 0.431 26 I N 0.281 120.829 120.570 -0.035 0.000 2.118 26 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 26 I C 2.317 178.445 176.117 0.018 0.000 1.070 26 I CA 1.405 62.715 61.300 0.015 0.000 1.327 26 I CB -0.325 37.664 38.000 -0.018 0.000 1.034 26 I HN 0.007 nan 8.210 nan 0.000 0.405 27 V N 0.861 120.772 119.914 -0.005 0.000 2.427 27 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 27 V C 2.644 178.745 176.094 0.012 0.000 1.051 27 V CA 1.845 64.147 62.300 0.002 0.000 1.048 27 V CB -1.009 30.809 31.823 -0.009 0.000 0.666 27 V HN 0.511 nan 8.190 nan 0.000 0.456 28 A N -0.118 122.709 122.820 0.012 0.000 2.019 28 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 28 A C 2.374 179.978 177.584 0.033 0.000 1.164 28 A CA 2.313 54.362 52.037 0.021 0.000 0.644 28 A CB -0.787 18.226 19.000 0.022 0.000 0.805 28 A HN 0.520 nan 8.150 nan 0.000 0.449 29 T N -0.391 114.189 114.554 0.044 0.000 2.777 29 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 29 T C 2.040 176.766 174.700 0.044 0.000 1.040 29 T CA 1.328 63.461 62.100 0.056 0.000 1.141 29 T CB -0.118 68.799 68.868 0.080 0.000 0.868 29 T HN 0.358 nan 8.240 nan 0.000 0.444 30 K N 1.440 121.862 120.400 0.037 0.000 2.057 30 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 30 K C 2.213 178.827 176.600 0.024 0.000 1.049 30 K CA 1.117 57.422 56.287 0.030 0.000 0.931 30 K CB -0.130 32.386 32.500 0.027 0.000 0.714 30 K HN 0.244 nan 8.250 nan 0.000 0.440 31 K N 0.102 120.515 120.400 0.021 0.000 2.032 31 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 31 K C 1.849 178.460 176.600 0.019 0.000 1.048 31 K CA 1.315 57.612 56.287 0.017 0.000 0.927 31 K CB -0.260 32.249 32.500 0.015 0.000 0.712 31 K HN 0.135 nan 8.250 nan 0.000 0.441 32 A N 0.700 123.534 122.820 0.023 0.000 2.258 32 A HA 0.161 4.481 4.320 -0.000 0.000 0.206 32 A C 0.997 178.594 177.584 0.022 0.000 1.222 32 A CA 0.909 52.959 52.037 0.023 0.000 0.822 32 A CB -0.621 18.396 19.000 0.029 0.000 0.804 32 A HN 0.460 nan 8.150 nan 0.000 0.483 33 G N -0.654 108.159 108.800 0.020 0.000 2.325 33 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.248 33 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.248 33 G C -0.518 174.394 174.900 0.020 0.000 1.108 33 G CA 0.053 45.164 45.100 0.018 0.000 0.881 33 G HN 0.684 nan 8.290 nan 0.000 0.494 34 N N 0.175 118.889 118.700 0.024 0.000 2.229 34 N HA 0.540 5.280 4.740 -0.000 0.000 0.298 34 N C -1.359 174.167 175.510 0.026 0.000 1.114 34 N CA -1.055 52.010 53.050 0.025 0.000 0.776 34 N CB 1.547 40.053 38.487 0.033 0.000 1.501 34 N HN 0.046 nan 8.380 nan 0.000 0.474 35 D N 0.741 121.154 120.400 0.022 0.000 2.256 35 D HA 0.296 4.936 4.640 -0.000 0.000 0.250 35 D C -0.641 175.675 176.300 0.027 0.000 1.093 35 D CA -0.028 53.985 54.000 0.022 0.000 0.882 35 D CB 1.576 42.383 40.800 0.013 0.000 1.185 35 D HN 0.045 nan 8.370 nan 0.000 0.437 36 V N 2.423 122.358 119.914 0.035 0.000 2.443 36 V HA 0.262 4.382 4.120 -0.000 0.000 0.293 36 V C 0.042 176.165 176.094 0.049 0.000 1.021 36 V CA -0.860 61.469 62.300 0.049 0.000 0.848 36 V CB 1.868 33.728 31.823 0.061 0.000 0.998 36 V HN 0.240 nan 8.190 nan 0.000 0.424 37 V N 5.580 125.519 119.914 0.042 0.000 2.427 37 V HA 0.568 4.688 4.120 -0.000 0.000 0.286 37 V C -0.105 176.033 176.094 0.073 0.000 1.034 37 V CA -0.567 61.755 62.300 0.036 0.000 0.893 37 V CB 1.802 33.618 31.823 -0.010 0.000 0.982 37 V HN 0.606 nan 8.190 nan 0.000 0.452 38 V N 5.159 125.132 119.914 0.099 0.000 2.555 38 V HA 0.573 4.693 4.120 -0.000 0.000 0.302 38 V C -0.321 175.853 176.094 0.133 0.000 1.038 38 V CA -0.623 61.768 62.300 0.153 0.000 0.887 38 V CB 2.073 34.006 31.823 0.184 0.000 0.991 38 V HN 0.608 nan 8.190 nan 0.000 0.434 39 V N 3.011 123.012 119.914 0.145 0.000 2.487 39 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 39 V C -0.336 175.853 176.094 0.158 0.000 1.028 39 V CA -0.420 61.949 62.300 0.115 0.000 0.860 39 V CB 1.770 33.635 31.823 0.070 0.000 0.991 39 V HN 0.996 nan 8.190 nan 0.000 0.427 40 C N 3.350 122.730 119.300 0.132 0.000 2.351 40 C HA 0.671 5.131 4.460 -0.000 0.000 0.326 40 C C 0.926 175.983 174.990 0.110 0.000 1.272 40 C CA -0.381 58.719 59.018 0.138 0.000 1.650 40 C CB 1.244 29.045 27.740 0.101 0.000 2.257 40 C HN 0.919 nan 8.230 nan 0.000 0.505 41 S N 1.331 117.102 115.700 0.118 0.000 2.669 41 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 41 S C 0.365 175.014 174.600 0.082 0.000 1.225 41 S CA -0.470 57.787 58.200 0.095 0.000 0.991 41 S CB 0.949 64.207 63.200 0.097 0.000 0.987 41 S HN 0.986 nan 8.310 nan 0.000 0.552 42 A N 1.602 124.464 122.820 0.070 0.000 2.425 42 A HA 0.382 4.702 4.320 -0.000 0.000 0.242 42 A C 0.307 177.926 177.584 0.058 0.000 1.077 42 A CA -0.225 51.847 52.037 0.058 0.000 0.781 42 A CB -0.250 18.782 19.000 0.052 0.000 1.020 42 A HN 0.807 nan 8.150 nan 0.000 0.494 43 M N 2.043 121.672 119.600 0.047 0.000 2.252 43 M HA 0.282 4.762 4.480 -0.000 0.000 0.348 43 M C 1.470 177.798 176.300 0.048 0.000 1.334 43 M CA 1.534 56.861 55.300 0.045 0.000 1.071 43 M CB -0.417 32.202 32.600 0.031 0.000 1.763 43 M HN 1.310 nan 8.290 nan 0.000 0.452 44 G N 3.312 112.146 108.800 0.057 0.000 2.622 44 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.307 44 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.307 44 G C 0.068 175.000 174.900 0.052 0.000 1.226 44 G CA 0.371 45.504 45.100 0.056 0.000 0.997 44 G HN 0.784 nan 8.290 nan 0.000 0.551 45 D N 0.862 121.288 120.400 0.044 0.000 2.427 45 D HA 0.258 4.898 4.640 -0.000 0.000 0.224 45 D C 2.036 178.357 176.300 0.036 0.000 1.157 45 D CA 0.803 54.826 54.000 0.040 0.000 0.828 45 D CB -0.056 40.765 40.800 0.035 0.000 0.974 45 D HN 0.349 nan 8.370 nan 0.000 0.498 46 T N 0.150 114.727 114.554 0.037 0.000 2.737 46 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 46 T C 2.055 176.776 174.700 0.034 0.000 1.040 46 T CA 1.435 63.556 62.100 0.034 0.000 1.142 46 T CB -0.053 68.836 68.868 0.035 0.000 0.861 46 T HN 0.203 nan 8.240 nan 0.000 0.456 47 T N 1.931 116.509 114.554 0.039 0.000 2.684 47 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 47 T C 1.733 176.453 174.700 0.033 0.000 1.036 47 T CA 1.402 63.525 62.100 0.038 0.000 1.148 47 T CB -0.479 68.415 68.868 0.043 0.000 0.863 47 T HN 0.352 nan 8.240 nan 0.000 0.436 48 D N 1.009 121.428 120.400 0.032 0.000 2.117 48 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 48 D C 2.248 178.563 176.300 0.025 0.000 0.987 48 D CA 0.958 54.974 54.000 0.028 0.000 0.829 48 D CB -0.312 40.504 40.800 0.028 0.000 0.961 48 D HN 0.522 nan 8.370 nan 0.000 0.460 49 E N -0.183 120.032 120.200 0.025 0.000 2.085 49 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 49 E C 1.995 178.608 176.600 0.021 0.000 0.994 49 E CA 0.576 56.989 56.400 0.022 0.000 0.801 49 E CB 0.005 29.718 29.700 0.023 0.000 0.743 49 E HN 0.140 nan 8.360 nan 0.000 0.453 50 L N 0.333 121.571 121.223 0.023 0.000 2.072 50 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 50 L C 2.201 179.083 176.870 0.020 0.000 1.079 50 L CA 1.275 56.128 54.840 0.022 0.000 0.752 50 L CB -0.484 41.591 42.059 0.026 0.000 0.906 50 L HN 0.144 nan 8.230 nan 0.000 0.436 51 L N -0.843 120.393 121.223 0.021 0.000 2.079 51 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 51 L C 2.542 179.422 176.870 0.017 0.000 1.081 51 L CA 1.414 56.265 54.840 0.019 0.000 0.752 51 L CB -0.428 41.643 42.059 0.021 0.000 0.896 51 L HN 0.386 nan 8.230 nan 0.000 0.433 52 E N 0.444 120.655 120.200 0.017 0.000 2.072 52 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 52 E C 2.389 178.998 176.600 0.014 0.000 0.985 52 E CA 0.854 57.264 56.400 0.016 0.000 0.801 52 E CB 0.026 29.736 29.700 0.016 0.000 0.750 52 E HN 0.422 nan 8.360 nan 0.000 0.452 53 L N 0.333 121.565 121.223 0.014 0.000 2.093 53 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 53 L C 2.602 179.478 176.870 0.011 0.000 1.085 53 L CA 0.902 55.749 54.840 0.013 0.000 0.755 53 L CB -0.434 41.633 42.059 0.014 0.000 0.904 53 L HN 0.222 nan 8.230 nan 0.000 0.435 54 A N 0.257 123.085 122.820 0.012 0.000 1.851 54 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 54 A C 2.494 180.083 177.584 0.009 0.000 1.195 54 A CA 1.965 54.008 52.037 0.010 0.000 0.622 54 A CB -0.909 18.097 19.000 0.010 0.000 0.831 54 A HN 0.399 nan 8.150 nan 0.000 0.444 55 A N -0.641 122.184 122.820 0.010 0.000 2.070 55 A HA 0.189 4.509 4.320 -0.000 0.000 0.220 55 A C 2.356 179.945 177.584 0.008 0.000 1.159 55 A CA 1.992 54.034 52.037 0.009 0.000 0.656 55 A CB -0.753 18.253 19.000 0.010 0.000 0.800 55 A HN 1.042 nan 8.150 nan 0.000 0.453 56 A N -0.225 122.600 122.820 0.009 0.000 1.898 56 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 56 A C 2.194 179.782 177.584 0.007 0.000 1.183 56 A CA 1.634 53.676 52.037 0.008 0.000 0.622 56 A CB -0.903 18.102 19.000 0.009 0.000 0.824 56 A HN 1.092 nan 8.150 nan 0.000 0.444 57 V N -2.998 116.920 119.914 0.007 0.000 3.129 57 V HA 0.167 4.287 4.120 -0.000 0.000 0.259 57 V C 0.370 176.467 176.094 0.005 0.000 1.116 57 V CA 1.208 63.512 62.300 0.006 0.000 1.127 57 V CB -0.564 31.263 31.823 0.006 0.000 0.742 57 V HN 0.489 nan 8.190 nan 0.000 0.474 58 N N -0.060 118.643 118.700 0.005 0.000 2.578 58 N HA 0.357 5.097 4.740 -0.000 0.000 0.282 58 N C -2.661 172.851 175.510 0.004 0.000 1.119 58 N CA -1.134 51.918 53.050 0.004 0.000 0.948 58 N CB 2.180 40.669 38.487 0.003 0.000 1.546 58 N HN -0.120 nan 8.380 nan 0.000 0.525 59 P HA -0.089 nan 4.420 nan 0.000 0.218 59 P C 0.420 177.723 177.300 0.004 0.000 1.148 59 P CA 1.132 64.235 63.100 0.005 0.000 0.822 59 P CB 0.261 31.964 31.700 0.005 0.000 0.784 60 V N -4.200 115.716 119.914 0.003 0.000 2.250 60 V HA 0.475 4.595 4.120 -0.000 0.000 0.268 60 V C -2.881 173.213 176.094 0.000 0.000 1.043 60 V CA -2.864 59.438 62.300 0.002 0.000 0.814 60 V CB 0.604 32.428 31.823 0.001 0.000 1.072 60 V HN -0.128 nan 8.190 nan 0.000 0.451 61 P HA 0.394 nan 4.420 nan 0.000 0.276 61 P C -2.458 174.838 177.300 -0.006 0.000 1.253 61 P CA -1.088 62.011 63.100 -0.002 0.000 0.766 61 P CB -0.008 31.692 31.700 -0.000 0.000 0.845 62 P HA -0.059 nan 4.420 nan 0.000 0.264 62 P C 0.836 178.125 177.300 -0.020 0.000 1.179 62 P CA 0.271 63.363 63.100 -0.012 0.000 0.763 62 P CB 0.435 32.128 31.700 -0.011 0.000 0.806 63 A N 3.700 126.504 122.820 -0.026 0.000 1.930 63 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 63 A C 2.201 179.750 177.584 -0.057 0.000 1.175 63 A CA 1.088 53.101 52.037 -0.040 0.000 0.627 63 A CB -0.618 18.357 19.000 -0.041 0.000 0.815 63 A HN 0.446 nan 8.150 nan 0.000 0.443 64 R N 0.125 120.595 120.500 -0.051 0.000 2.070 64 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 64 R C 1.759 178.028 176.300 -0.050 0.000 1.137 64 R CA 2.114 58.178 56.100 -0.059 0.000 0.945 64 R CB -0.432 29.845 30.300 -0.039 0.000 0.845 64 R HN 0.519 nan 8.270 nan 0.000 0.430 65 E N 0.128 120.310 120.200 -0.029 0.000 2.150 65 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 65 E C 1.664 178.254 176.600 -0.016 0.000 0.985 65 E CA 1.095 57.485 56.400 -0.016 0.000 0.814 65 E CB -0.273 29.423 29.700 -0.008 0.000 0.752 65 E HN 0.156 nan 8.360 nan 0.000 0.466 66 M N 0.766 120.352 119.600 -0.024 0.000 2.175 66 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 66 M C 1.455 177.738 176.300 -0.028 0.000 1.063 66 M CA 1.687 56.975 55.300 -0.019 0.000 1.119 66 M CB -0.264 32.324 32.600 -0.020 0.000 1.377 66 M HN 0.014 nan 8.290 nan 0.000 0.415 67 D N -0.508 119.852 120.400 -0.066 0.000 2.117 67 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 67 D C 2.104 178.382 176.300 -0.036 0.000 0.987 67 D CA 1.813 55.746 54.000 -0.111 0.000 0.829 67 D CB -0.245 40.393 40.800 -0.271 0.000 0.961 67 D HN 0.506 nan 8.370 nan 0.000 0.460 68 M N -0.585 119.005 119.600 -0.016 0.000 2.159 68 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 68 M C 1.799 178.128 176.300 0.048 0.000 1.063 68 M CA 1.072 56.395 55.300 0.038 0.000 1.110 68 M CB -0.041 32.574 32.600 0.026 0.000 1.374 68 M HN 0.239 nan 8.290 nan 0.000 0.411 69 L N 0.513 121.754 121.223 0.029 0.000 2.007 69 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 69 L C 1.962 178.858 176.870 0.044 0.000 1.073 69 L CA 1.835 56.694 54.840 0.032 0.000 0.744 69 L CB -0.737 41.334 42.059 0.020 0.000 0.898 69 L HN 0.343 nan 8.230 nan 0.000 0.435 70 L N -1.116 120.134 121.223 0.045 0.000 2.141 70 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 70 L C 2.302 179.224 176.870 0.086 0.000 1.094 70 L CA 1.482 56.357 54.840 0.057 0.000 0.763 70 L CB -1.084 41.005 42.059 0.050 0.000 0.908 70 L HN 0.301 nan 8.230 nan 0.000 0.437 71 T N 0.076 114.702 114.554 0.119 0.000 2.746 71 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 71 T C 2.068 176.834 174.700 0.109 0.000 1.039 71 T CA 1.277 63.478 62.100 0.169 0.000 1.142 71 T CB -0.169 68.878 68.868 0.299 0.000 0.866 71 T HN 0.444 nan 8.240 nan 0.000 0.444 72 A N 1.437 124.308 122.820 0.086 0.000 1.902 72 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 72 A C 2.632 180.245 177.584 0.048 0.000 1.181 72 A CA 1.862 53.934 52.037 0.059 0.000 0.623 72 A CB -1.359 17.670 19.000 0.048 0.000 0.818 72 A HN 0.509 nan 8.150 nan 0.000 0.443 73 G N -0.531 108.299 108.800 0.050 0.000 2.418 73 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 73 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 73 G C 1.403 176.331 174.900 0.046 0.000 1.158 73 G CA 0.955 46.081 45.100 0.044 0.000 0.771 73 G HN 0.667 nan 8.290 nan 0.000 0.545 74 E N -0.115 120.119 120.200 0.057 0.000 2.285 74 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 74 E C 2.596 179.224 176.600 0.047 0.000 0.997 74 E CA 0.007 56.441 56.400 0.058 0.000 0.845 74 E CB 0.025 29.768 29.700 0.072 0.000 0.782 74 E HN 0.322 nan 8.360 nan 0.000 0.491 75 R N 0.436 120.960 120.500 0.041 0.000 2.193 75 R HA 0.025 4.365 4.340 -0.000 0.000 0.213 75 R C 2.185 178.495 176.300 0.017 0.000 1.055 75 R CA 0.337 56.452 56.100 0.025 0.000 0.995 75 R CB 0.059 30.371 30.300 0.020 0.000 0.893 75 R HN 0.169 nan 8.270 nan 0.000 0.459 76 I N 0.469 121.051 120.570 0.021 0.000 2.127 76 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 76 I C 1.992 178.115 176.117 0.011 0.000 1.075 76 I CA 1.513 62.821 61.300 0.014 0.000 1.334 76 I CB -0.877 37.133 38.000 0.017 0.000 1.040 76 I HN 0.098 nan 8.210 nan 0.000 0.405 77 S N 0.714 116.426 115.700 0.019 0.000 2.359 77 S HA -0.260 4.210 4.470 -0.000 0.000 0.224 77 S C 1.785 176.391 174.600 0.010 0.000 1.035 77 S CA 2.092 60.302 58.200 0.017 0.000 1.018 77 S CB -0.722 62.500 63.200 0.036 0.000 0.876 77 S HN 0.479 nan 8.310 nan 0.000 0.448 78 N N 1.086 119.796 118.700 0.017 0.000 2.036 78 N HA -0.185 4.555 4.740 -0.000 0.000 0.195 78 N C 1.805 177.312 175.510 -0.004 0.000 1.037 78 N CA 1.292 54.349 53.050 0.012 0.000 0.855 78 N CB -0.327 38.168 38.487 0.014 0.000 1.033 78 N HN 0.392 nan 8.380 nan 0.000 0.423 79 A N 0.809 123.624 122.820 -0.008 0.000 1.858 79 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 79 A C 2.240 179.812 177.584 -0.020 0.000 1.190 79 A CA 1.172 53.200 52.037 -0.016 0.000 0.617 79 A CB -0.921 18.071 19.000 -0.014 0.000 0.827 79 A HN 0.352 nan 8.150 nan 0.000 0.443 80 L N -0.555 120.657 121.223 -0.018 0.000 2.017 80 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 80 L C 2.557 179.405 176.870 -0.036 0.000 1.073 80 L CA 1.234 56.059 54.840 -0.025 0.000 0.745 80 L CB -0.702 41.344 42.059 -0.023 0.000 0.894 80 L HN 0.250 nan 8.230 nan 0.000 0.432 81 V N 0.160 120.050 119.914 -0.040 0.000 2.343 81 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 81 V C 2.787 178.853 176.094 -0.045 0.000 1.051 81 V CA 1.840 64.105 62.300 -0.059 0.000 1.036 81 V CB -0.948 30.837 31.823 -0.063 0.000 0.654 81 V HN 0.489 nan 8.190 nan 0.000 0.451 82 A N -0.497 122.306 122.820 -0.029 0.000 1.865 82 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 82 A C 2.262 179.828 177.584 -0.029 0.000 1.191 82 A CA 2.428 54.450 52.037 -0.025 0.000 0.623 82 A CB -0.548 18.437 19.000 -0.025 0.000 0.826 82 A HN 0.485 nan 8.150 nan 0.000 0.444 83 M N -0.602 118.980 119.600 -0.030 0.000 2.082 83 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 83 M C 2.538 178.818 176.300 -0.032 0.000 1.069 83 M CA 1.725 57.007 55.300 -0.029 0.000 1.102 83 M CB -0.491 32.092 32.600 -0.027 0.000 1.336 83 M HN 0.525 nan 8.290 nan 0.000 0.404 84 A N 0.524 123.320 122.820 -0.040 0.000 1.873 84 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 84 A C 1.981 179.539 177.584 -0.043 0.000 1.186 84 A CA 1.283 53.293 52.037 -0.046 0.000 0.616 84 A CB -0.710 18.253 19.000 -0.063 0.000 0.823 84 A HN 0.378 nan 8.150 nan 0.000 0.442 85 I N 0.004 120.548 120.570 -0.043 0.000 2.194 85 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 85 I C 2.271 178.374 176.117 -0.024 0.000 1.093 85 I CA 1.945 63.225 61.300 -0.034 0.000 1.355 85 I CB -1.382 36.603 38.000 -0.025 0.000 1.046 85 I HN 0.459 nan 8.210 nan 0.000 0.413 86 E N 0.216 120.402 120.200 -0.023 0.000 2.358 86 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 86 E C 2.115 178.704 176.600 -0.019 0.000 1.010 86 E CA 0.574 56.962 56.400 -0.019 0.000 0.856 86 E CB 0.205 29.892 29.700 -0.020 0.000 0.795 86 E HN 0.383 nan 8.360 nan 0.000 0.504 87 S N 0.053 115.739 115.700 -0.023 0.000 2.436 87 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 87 S C 1.191 175.779 174.600 -0.020 0.000 1.014 87 S CA 0.490 58.677 58.200 -0.022 0.000 0.950 87 S CB 0.118 63.303 63.200 -0.025 0.000 0.784 87 S HN 0.172 nan 8.310 nan 0.000 0.504 88 L N 0.664 121.875 121.223 -0.021 0.000 2.592 88 L HA 0.382 4.722 4.340 -0.000 0.000 0.227 88 L C 1.792 178.654 176.870 -0.013 0.000 1.127 88 L CA 0.724 55.553 54.840 -0.018 0.000 0.884 88 L CB -0.998 41.047 42.059 -0.023 0.000 1.065 88 L HN 0.475 nan 8.230 nan 0.000 0.457 89 G N -1.332 107.461 108.800 -0.012 0.000 2.307 89 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.210 89 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.210 89 G C 0.641 175.537 174.900 -0.006 0.000 1.005 89 G CA -0.090 45.005 45.100 -0.008 0.000 0.634 89 G HN 0.578 nan 8.290 nan 0.000 0.496 90 A N 0.510 123.327 122.820 -0.005 0.000 2.483 90 A HA 0.560 4.880 4.320 -0.000 0.000 0.238 90 A C 0.333 177.916 177.584 -0.002 0.000 1.070 90 A CA 1.025 53.061 52.037 -0.000 0.000 0.770 90 A CB 0.323 19.324 19.000 0.002 0.000 1.008 90 A HN 0.661 nan 8.150 nan 0.000 0.497 91 E N 0.564 120.766 120.200 0.003 0.000 2.200 91 E HA 0.536 4.886 4.350 -0.000 0.000 0.283 91 E C -0.275 176.329 176.600 0.006 0.000 1.015 91 E CA -0.311 56.090 56.400 0.001 0.000 0.819 91 E CB 0.969 30.671 29.700 0.002 0.000 1.081 91 E HN 0.810 nan 8.360 nan 0.000 0.397 92 A N 4.574 127.392 122.820 -0.003 0.000 2.350 92 A HA 0.444 4.764 4.320 -0.000 0.000 0.324 92 A C -0.992 176.579 177.584 -0.023 0.000 1.118 92 A CA -0.615 51.422 52.037 0.001 0.000 0.783 92 A CB 1.549 20.545 19.000 -0.007 0.000 1.236 92 A HN 0.653 nan 8.150 nan 0.000 0.457 93 Q N 1.332 121.122 119.800 -0.016 0.000 2.274 93 Q HA 0.498 4.838 4.340 -0.000 0.000 0.268 93 Q C -1.229 174.650 176.000 -0.203 0.000 1.015 93 Q CA -0.318 55.406 55.803 -0.131 0.000 0.775 93 Q CB 1.855 30.511 28.738 -0.137 0.000 1.256 93 Q HN 0.748 nan 8.270 nan 0.000 0.442 94 S N 2.981 118.498 115.700 -0.306 0.000 2.585 94 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 94 S C -0.902 173.396 174.600 -0.503 0.000 1.241 94 S CA -0.278 57.790 58.200 -0.220 0.000 1.041 94 S CB 0.496 63.623 63.200 -0.123 0.000 0.987 94 S HN 0.408 nan 8.310 nan 0.000 0.512 95 F N 0.409 120.325 119.950 -0.056 0.000 2.588 95 F HA 0.493 5.020 4.527 0.000 0.000 0.314 95 F C 0.855 176.582 175.800 -0.122 0.000 1.069 95 F CA -0.974 56.975 58.000 -0.085 0.000 0.931 95 F CB 1.757 40.713 39.000 -0.074 0.000 1.260 95 F HN 0.547 nan 8.300 nan 0.000 0.465 96 T N -1.735 112.808 114.554 -0.020 0.000 2.881 96 T HA 0.420 4.770 4.350 -0.000 0.000 0.278 96 T C 1.276 175.856 174.700 -0.200 0.000 0.982 96 T CA -0.142 61.828 62.100 -0.217 0.000 0.989 96 T CB 1.443 69.978 68.868 -0.555 0.000 1.058 96 T HN 0.758 nan 8.240 nan 0.000 0.529 97 G N 0.439 109.096 108.800 -0.238 0.000 2.505 97 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 97 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 97 G C 1.995 176.851 174.900 -0.073 0.000 1.145 97 G CA 1.413 46.466 45.100 -0.079 0.000 0.761 97 G HN 1.150 nan 8.290 nan 0.000 0.571 98 S N 0.161 115.734 115.700 -0.212 0.000 2.355 98 S HA -0.074 4.396 4.470 -0.000 0.000 0.222 98 S C 2.227 176.804 174.600 -0.038 0.000 1.031 98 S CA 1.925 60.109 58.200 -0.026 0.000 0.993 98 S CB -0.332 62.899 63.200 0.052 0.000 0.859 98 S HN 0.370 nan 8.310 nan 0.000 0.453 99 Q N 0.740 120.496 119.800 -0.073 0.000 2.096 99 Q HA 0.035 4.375 4.340 -0.000 0.000 0.204 99 Q C 2.394 178.427 176.000 0.056 0.000 0.982 99 Q CA 1.797 57.627 55.803 0.045 0.000 0.850 99 Q CB -0.499 28.321 28.738 0.137 0.000 0.901 99 Q HN 0.694 nan 8.270 nan 0.000 0.422 100 A N -0.865 121.945 122.820 -0.016 0.000 1.969 100 A HA 0.221 4.541 4.320 -0.000 0.000 0.218 100 A C 1.376 178.898 177.584 -0.104 0.000 1.169 100 A CA 1.243 53.192 52.037 -0.146 0.000 0.635 100 A CB -0.408 18.478 19.000 -0.190 0.000 0.810 100 A HN 0.514 nan 8.150 nan 0.000 0.445 101 G N -2.432 106.335 108.800 -0.055 0.000 2.455 101 G HA2 0.285 4.245 3.960 -0.000 0.000 0.169 101 G HA3 0.285 4.245 3.960 -0.000 0.000 0.169 101 G C 0.318 175.193 174.900 -0.041 0.000 1.074 101 G CA 0.006 45.084 45.100 -0.038 0.000 0.796 101 G HN 1.449 nan 8.290 nan 0.000 0.489 115 D N -0.314 119.935 120.400 -0.253 0.000 2.823 115 D HA 0.544 5.184 4.640 -0.000 0.000 0.255 115 D C 0.078 176.281 176.300 -0.161 0.000 1.257 115 D CA 0.710 54.631 54.000 -0.131 0.000 0.803 115 D CB 1.397 42.175 40.800 -0.037 0.000 1.384 115 D HN 0.075 nan 8.370 nan 0.000 0.541 116 V N -0.012 119.807 119.914 -0.158 0.000 3.251 116 V HA 0.249 4.369 4.120 -0.000 0.000 0.239 116 V C 0.872 176.908 176.094 -0.098 0.000 1.332 116 V CA 0.528 62.743 62.300 -0.141 0.000 1.224 116 V CB 0.433 32.148 31.823 -0.180 0.000 1.004 116 V HN 0.583 nan 8.190 nan 0.000 0.464 117 T N 2.794 117.294 114.554 -0.091 0.000 3.803 117 T HA -0.072 4.278 4.350 -0.000 0.000 0.386 117 T C -2.242 172.409 174.700 -0.081 0.000 0.761 117 T CA 0.498 62.557 62.100 -0.069 0.000 2.046 117 T CB -0.358 68.484 68.868 -0.044 0.000 1.764 117 T HN 0.389 nan 8.240 nan 0.000 0.798 118 P HA 0.364 nan 4.420 nan 0.000 0.209 118 P C 1.317 178.547 177.300 -0.117 0.000 1.843 118 P CA 0.133 63.151 63.100 -0.137 0.000 0.985 118 P CB 0.320 31.924 31.700 -0.160 0.000 1.904 119 G N 2.036 110.789 108.800 -0.078 0.000 2.505 119 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.214 119 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.214 119 G C 1.828 176.704 174.900 -0.040 0.000 1.237 119 G CA 1.030 46.102 45.100 -0.047 0.000 0.802 119 G HN 0.451 nan 8.290 nan 0.000 0.549 120 R N -0.020 120.473 120.500 -0.012 0.000 2.139 120 R HA 0.056 4.396 4.340 -0.000 0.000 0.243 120 R C 2.683 178.998 176.300 0.025 0.000 1.145 120 R CA 1.885 58.032 56.100 0.079 0.000 0.976 120 R CB -1.370 29.071 30.300 0.234 0.000 0.866 120 R HN 0.339 nan 8.270 nan 0.000 0.449 121 V N 0.741 120.492 119.914 -0.271 0.000 2.307 121 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 121 V C 2.671 178.671 176.094 -0.156 0.000 1.045 121 V CA 2.087 64.110 62.300 -0.463 0.000 1.024 121 V CB -0.506 30.963 31.823 -0.591 0.000 0.651 121 V HN 0.613 nan 8.190 nan 0.000 0.449 122 R N 1.370 121.803 120.500 -0.112 0.000 2.096 122 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 122 R C 2.170 178.462 176.300 -0.012 0.000 1.127 122 R CA 2.216 58.284 56.100 -0.054 0.000 0.968 122 R CB -0.972 29.296 30.300 -0.052 0.000 0.861 122 R HN 0.568 nan 8.270 nan 0.000 0.440 123 E N 0.015 120.218 120.200 0.005 0.000 2.153 123 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 123 E C 1.984 178.617 176.600 0.055 0.000 0.988 123 E CA 1.470 57.888 56.400 0.030 0.000 0.811 123 E CB -0.859 28.865 29.700 0.040 0.000 0.746 123 E HN 0.623 nan 8.360 nan 0.000 0.466 124 A N -0.136 122.741 122.820 0.095 0.000 1.970 124 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 124 A C 2.441 180.074 177.584 0.082 0.000 1.170 124 A CA 1.100 53.215 52.037 0.130 0.000 0.645 124 A CB -0.138 19.042 19.000 0.300 0.000 0.816 124 A HN 0.432 nan 8.150 nan 0.000 0.447 125 L N -0.430 120.822 121.223 0.048 0.000 2.044 125 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 125 L C 1.806 178.690 176.870 0.022 0.000 1.075 125 L CA 1.282 56.139 54.840 0.028 0.000 0.747 125 L CB -0.535 41.525 42.059 0.002 0.000 0.903 125 L HN 0.259 nan 8.230 nan 0.000 0.435 126 D N -0.227 120.183 120.400 0.017 0.000 2.219 126 D HA -0.206 4.434 4.640 -0.000 0.000 0.205 126 D C 1.899 178.210 176.300 0.018 0.000 0.970 126 D CA 0.893 54.902 54.000 0.014 0.000 0.851 126 D CB -0.022 40.784 40.800 0.010 0.000 0.943 126 D HN 0.354 nan 8.370 nan 0.000 0.488 127 E N -0.485 119.730 120.200 0.025 0.000 2.482 127 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 127 E C 1.037 177.650 176.600 0.023 0.000 1.047 127 E CA 0.580 56.994 56.400 0.024 0.000 0.869 127 E CB 0.089 29.808 29.700 0.031 0.000 0.836 127 E HN 0.304 nan 8.360 nan 0.000 0.520 128 G N 1.094 109.909 108.800 0.026 0.000 2.179 128 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 128 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 128 G C -0.021 174.896 174.900 0.029 0.000 0.990 128 G CA 0.117 45.230 45.100 0.023 0.000 0.646 128 G HN 0.177 nan 8.290 nan 0.000 0.517 129 K N 0.150 120.575 120.400 0.040 0.000 2.154 129 K HA 0.626 4.946 4.320 -0.000 0.000 0.264 129 K C 0.434 177.070 176.600 0.061 0.000 1.008 129 K CA -0.443 55.873 56.287 0.049 0.000 0.937 129 K CB 1.228 33.767 32.500 0.064 0.000 1.002 129 K HN 0.218 nan 8.250 nan 0.000 0.469 130 I N 2.866 123.470 120.570 0.057 0.000 2.291 130 I HA 0.076 4.246 4.170 -0.000 0.000 0.292 130 I C -0.390 175.787 176.117 0.100 0.000 1.064 130 I CA -0.656 60.683 61.300 0.065 0.000 1.269 130 I CB 0.533 38.561 38.000 0.048 0.000 1.418 130 I HN 0.528 nan 8.210 nan 0.000 0.485 131 C N 7.506 126.884 119.300 0.131 0.000 2.499 131 C HA 0.374 4.834 4.460 -0.000 0.000 0.386 131 C C 0.633 175.734 174.990 0.185 0.000 1.293 131 C CA -0.531 58.628 59.018 0.235 0.000 1.884 131 C CB -0.787 27.069 27.740 0.194 0.000 2.509 131 C HN 0.527 nan 8.230 nan 0.000 0.566 132 I N 4.217 124.917 120.570 0.216 0.000 2.337 132 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 132 I C -0.373 175.856 176.117 0.188 0.000 1.041 132 I CA -0.079 61.312 61.300 0.151 0.000 1.199 132 I CB 0.707 38.759 38.000 0.087 0.000 1.370 132 I HN 0.345 nan 8.210 nan 0.000 0.470 133 V N 5.994 125.995 119.914 0.145 0.000 2.364 133 V HA 0.470 4.590 4.120 -0.000 0.000 0.272 133 V C 0.774 176.914 176.094 0.077 0.000 1.036 133 V CA 0.037 62.406 62.300 0.114 0.000 0.880 133 V CB 1.144 32.990 31.823 0.038 0.000 0.991 133 V HN 0.927 nan 8.190 nan 0.000 0.460 134 A N 3.542 126.398 122.820 0.060 0.000 2.263 134 A HA 0.529 4.849 4.320 -0.000 0.000 0.200 134 A C 1.567 179.181 177.584 0.050 0.000 1.428 134 A CA 0.674 52.745 52.037 0.056 0.000 1.050 134 A CB -0.127 18.905 19.000 0.054 0.000 1.226 134 A HN 0.818 nan 8.150 nan 0.000 0.501 135 G N 0.324 109.130 108.800 0.010 0.000 2.622 135 G HA2 0.226 4.186 3.960 -0.000 0.000 0.156 135 G HA3 0.226 4.186 3.960 -0.000 0.000 0.156 135 G C 0.671 175.666 174.900 0.159 0.000 1.775 135 G CA 0.075 45.181 45.100 0.009 0.000 0.928 135 G HN 0.311 nan 8.290 nan 0.000 0.384 152 G N 0.231 109.076 108.800 0.074 0.000 2.424 152 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.207 152 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.207 152 G C 0.685 175.635 174.900 0.082 0.000 1.061 152 G CA 0.675 45.828 45.100 0.090 0.000 0.657 152 G HN 1.249 nan 8.290 nan 0.000 0.508 153 G N -0.344 108.505 108.800 0.081 0.000 2.498 153 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.251 153 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.251 153 G C 1.143 176.088 174.900 0.074 0.000 1.170 153 G CA 1.751 46.895 45.100 0.074 0.000 0.944 153 G HN 1.808 nan 8.290 nan 0.000 0.567 154 S N -0.167 115.575 115.700 0.071 0.000 2.382 154 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 154 S C 1.937 176.572 174.600 0.060 0.000 1.027 154 S CA 2.467 60.708 58.200 0.068 0.000 0.991 154 S CB -0.562 62.682 63.200 0.073 0.000 0.823 154 S HN 0.579 nan 8.310 nan 0.000 0.469 155 D N 0.440 120.877 120.400 0.063 0.000 2.097 155 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 155 D C 2.357 178.701 176.300 0.074 0.000 0.984 155 D CA 1.880 55.917 54.000 0.061 0.000 0.826 155 D CB -0.560 40.277 40.800 0.061 0.000 0.973 155 D HN 0.634 nan 8.370 nan 0.000 0.460 156 T N -2.003 112.612 114.554 0.102 0.000 2.951 156 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 156 T C 2.037 176.749 174.700 0.022 0.000 1.073 156 T CA 1.625 63.816 62.100 0.151 0.000 1.134 156 T CB -0.727 68.311 68.868 0.282 0.000 0.884 156 T HN 0.227 nan 8.240 nan 0.000 0.479 157 T N -0.122 114.437 114.554 0.008 0.000 2.985 157 T HA 0.296 4.646 4.350 -0.000 0.000 0.266 157 T C 2.272 176.944 174.700 -0.047 0.000 1.076 157 T CA 0.820 62.896 62.100 -0.041 0.000 1.135 157 T CB -0.671 68.194 68.868 -0.006 0.000 0.890 157 T HN 0.471 nan 8.240 nan 0.000 0.480 158 A N 2.117 124.930 122.820 -0.010 0.000 1.858 158 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 158 A C 2.731 180.298 177.584 -0.028 0.000 1.190 158 A CA 2.226 54.257 52.037 -0.011 0.000 0.617 158 A CB -1.255 17.752 19.000 0.012 0.000 0.827 158 A HN 0.895 nan 8.150 nan 0.000 0.443 159 V N -2.385 117.523 119.914 -0.009 0.000 2.427 159 V HA 0.005 4.125 4.120 -0.000 0.000 0.248 159 V C 2.538 178.572 176.094 -0.099 0.000 1.051 159 V CA 1.745 64.041 62.300 -0.006 0.000 1.048 159 V CB -1.495 30.373 31.823 0.076 0.000 0.666 159 V HN 0.539 nan 8.190 nan 0.000 0.456 160 A N 0.822 123.534 122.820 -0.179 0.000 1.908 160 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 160 A C 2.280 179.699 177.584 -0.275 0.000 1.181 160 A CA 2.318 54.155 52.037 -0.334 0.000 0.627 160 A CB -0.744 18.029 19.000 -0.377 0.000 0.818 160 A HN 0.591 nan 8.150 nan 0.000 0.445 161 L N -0.983 120.130 121.223 -0.183 0.000 2.056 161 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 161 L C 3.110 179.897 176.870 -0.137 0.000 1.078 161 L CA 0.974 55.719 54.840 -0.159 0.000 0.749 161 L CB -0.512 41.472 42.059 -0.125 0.000 0.901 161 L HN 0.453 nan 8.230 nan 0.000 0.433 162 A N -0.019 122.738 122.820 -0.105 0.000 1.902 162 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 162 A C 2.512 180.046 177.584 -0.084 0.000 1.181 162 A CA 1.779 53.775 52.037 -0.068 0.000 0.623 162 A CB -0.659 18.325 19.000 -0.027 0.000 0.818 162 A HN 0.413 nan 8.150 nan 0.000 0.443 163 A N -0.083 122.650 122.820 -0.145 0.000 1.858 163 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 163 A C 2.561 180.022 177.584 -0.204 0.000 1.190 163 A CA 2.216 54.136 52.037 -0.194 0.000 0.617 163 A CB -1.215 17.501 19.000 -0.473 0.000 0.827 163 A HN 1.099 nan 8.150 nan 0.000 0.443 164 A N -0.379 122.287 122.820 -0.257 0.000 1.883 164 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 164 A C 2.082 179.591 177.584 -0.125 0.000 1.186 164 A CA 1.699 53.617 52.037 -0.198 0.000 0.624 164 A CB -0.657 18.220 19.000 -0.205 0.000 0.822 164 A HN 0.478 nan 8.150 nan 0.000 0.444 165 L N -0.856 120.299 121.223 -0.113 0.000 2.492 165 L HA 0.036 4.376 4.340 -0.000 0.000 0.223 165 L C 0.895 177.733 176.870 -0.053 0.000 1.132 165 L CA 0.513 55.304 54.840 -0.081 0.000 0.850 165 L CB -0.558 41.450 42.059 -0.085 0.000 0.966 165 L HN 0.685 nan 8.230 nan 0.000 0.454 166 N N 0.628 119.299 118.700 -0.048 0.000 2.726 166 N HA -0.164 4.576 4.740 -0.000 0.000 0.253 166 N C -0.048 175.457 175.510 -0.008 0.000 1.059 166 N CA 0.094 53.133 53.050 -0.017 0.000 0.701 166 N CB -0.209 38.273 38.487 -0.008 0.000 0.899 166 N HN 0.339 nan 8.380 nan 0.000 0.548 167 A N 0.750 123.565 122.820 -0.009 0.000 2.304 167 A HA 0.282 4.602 4.320 -0.000 0.000 0.271 167 A C 0.995 178.588 177.584 0.016 0.000 1.091 167 A CA -0.192 51.845 52.037 -0.000 0.000 0.812 167 A CB 0.453 19.450 19.000 -0.005 0.000 1.056 167 A HN 0.500 nan 8.150 nan 0.000 0.489 168 D N -0.698 119.712 120.400 0.016 0.000 2.149 168 D HA 0.050 4.690 4.640 -0.000 0.000 0.201 168 D C 0.319 176.632 176.300 0.023 0.000 0.972 168 D CA 1.657 55.669 54.000 0.020 0.000 0.835 168 D CB 0.320 41.130 40.800 0.016 0.000 0.966 168 D HN 0.247 nan 8.370 nan 0.000 0.476 169 V N -0.373 119.553 119.914 0.019 0.000 3.012 169 V HA 0.343 4.463 4.120 -0.000 0.000 0.307 169 V C -1.761 174.340 176.094 0.011 0.000 1.166 169 V CA -0.952 61.357 62.300 0.014 0.000 0.974 169 V CB 2.479 34.301 31.823 -0.001 0.000 1.040 169 V HN 0.189 nan 8.190 nan 0.000 0.428 170 C N 5.704 125.009 119.300 0.008 0.000 2.294 170 C HA 0.629 5.089 4.460 -0.000 0.000 0.319 170 C C -0.003 174.959 174.990 -0.047 0.000 1.164 170 C CA -0.459 58.557 59.018 -0.004 0.000 1.497 170 C CB -0.408 27.341 27.740 0.015 0.000 2.061 170 C HN 0.968 nan 8.230 nan 0.000 0.438 171 E N 4.787 124.937 120.200 -0.082 0.000 2.313 171 E HA 0.360 4.710 4.350 -0.000 0.000 0.276 171 E C -0.340 176.108 176.600 -0.253 0.000 1.031 171 E CA -0.261 56.003 56.400 -0.226 0.000 0.857 171 E CB 0.963 30.477 29.700 -0.309 0.000 1.040 171 E HN 0.561 nan 8.360 nan 0.000 0.408 172 I N 4.101 124.488 120.570 -0.305 0.000 2.371 172 I HA 0.189 4.359 4.170 -0.000 0.000 0.282 172 I C -0.693 175.252 176.117 -0.285 0.000 1.031 172 I CA -0.560 60.613 61.300 -0.212 0.000 1.180 172 I CB -0.355 37.580 38.000 -0.108 0.000 1.336 172 I HN 0.455 nan 8.210 nan 0.000 0.467 173 Y N 4.430 124.603 120.300 -0.212 0.000 2.310 173 Y HA 0.510 5.060 4.550 0.000 0.000 0.326 173 Y C 1.057 176.938 175.900 -0.030 0.000 1.151 173 Y CA 0.209 58.228 58.100 -0.135 0.000 1.195 173 Y CB 1.672 39.992 38.460 -0.234 0.000 1.210 173 Y HN 0.689 nan 8.280 nan 0.000 0.483 174 S N -0.294 115.486 115.700 0.135 0.000 2.755 174 S HA 0.134 4.604 4.470 -0.000 0.000 0.286 174 S C -0.176 174.320 174.600 -0.174 0.000 1.207 174 S CA -0.414 57.801 58.200 0.026 0.000 0.892 174 S CB 0.748 63.941 63.200 -0.010 0.000 1.240 174 S HN 0.662 nan 8.310 nan 0.000 0.525 175 D N 0.130 120.327 120.400 -0.338 0.000 2.355 175 D HA 0.042 4.682 4.640 -0.000 0.000 0.218 175 D C 0.240 176.382 176.300 -0.263 0.000 1.004 175 D CA 0.301 53.943 54.000 -0.597 0.000 0.880 175 D CB -0.132 40.350 40.800 -0.529 0.000 0.911 175 D HN 0.239 nan 8.370 nan 0.000 0.528 176 V N 3.305 123.140 119.914 -0.131 0.000 2.389 176 V HA -0.009 4.111 4.120 -0.000 0.000 0.264 176 V C 0.905 176.997 176.094 -0.003 0.000 1.049 176 V CA -0.261 62.014 62.300 -0.041 0.000 0.932 176 V CB 1.309 33.123 31.823 -0.014 0.000 1.011 176 V HN 0.140 nan 8.190 nan 0.000 0.475 177 D N 3.268 123.701 120.400 0.055 0.000 2.340 177 D HA 0.262 4.902 4.640 -0.000 0.000 0.220 177 D C 0.622 176.954 176.300 0.054 0.000 1.039 177 D CA 0.876 54.915 54.000 0.065 0.000 0.866 177 D CB 0.882 41.739 40.800 0.095 0.000 0.913 177 D HN 0.621 nan 8.370 nan 0.000 0.523 178 G N -1.319 107.543 108.800 0.102 0.000 2.340 178 G HA2 0.393 4.353 3.960 -0.000 0.000 0.299 178 G HA3 0.393 4.353 3.960 -0.000 0.000 0.299 178 G C -1.954 172.977 174.900 0.050 0.000 1.291 178 G CA -0.467 44.619 45.100 -0.022 0.000 0.841 178 G HN 0.048 nan 8.290 nan 0.000 0.500 179 V N 0.704 120.572 119.914 -0.078 0.000 2.417 179 V HA 0.612 4.732 4.120 -0.000 0.000 0.291 179 V C -0.910 175.138 176.094 -0.076 0.000 1.024 179 V CA -0.508 61.801 62.300 0.016 0.000 0.861 179 V CB 0.806 32.616 31.823 -0.021 0.000 0.985 179 V HN 0.605 nan 8.190 nan 0.000 0.436 180 Y N 1.434 121.728 120.300 -0.010 0.000 2.567 180 Y HA 0.319 4.869 4.550 0.000 0.000 0.333 180 Y C 1.862 177.775 175.900 0.023 0.000 1.106 180 Y CA -0.364 57.738 58.100 0.003 0.000 1.157 180 Y CB 1.977 40.432 38.460 -0.007 0.000 1.277 180 Y HN 0.740 nan 8.280 nan 0.000 0.490 181 T N -1.404 113.276 114.554 0.211 0.000 2.962 181 T HA 0.344 4.694 4.350 -0.000 0.000 0.270 181 T C 0.475 175.304 174.700 0.216 0.000 1.088 181 T CA 0.881 63.111 62.100 0.216 0.000 1.127 181 T CB -0.139 68.930 68.868 0.335 0.000 0.883 181 T HN 0.690 nan 8.240 nan 0.000 0.493 182 A N 0.238 123.133 122.820 0.124 0.000 2.536 182 A HA 0.516 4.836 4.320 -0.000 0.000 0.293 182 A C -1.605 175.956 177.584 -0.038 0.000 1.119 182 A CA -0.729 51.306 52.037 -0.003 0.000 0.654 182 A CB 0.432 19.308 19.000 -0.206 0.000 1.291 182 A HN 0.128 nan 8.150 nan 0.000 0.439 183 D N 0.653 121.007 120.400 -0.077 0.000 2.382 183 D HA 0.261 4.901 4.640 -0.000 0.000 0.259 183 D C -1.540 174.668 176.300 -0.154 0.000 1.224 183 D CA -1.237 52.695 54.000 -0.114 0.000 0.894 183 D CB 1.114 41.864 40.800 -0.085 0.000 1.127 183 D HN 0.081 nan 8.370 nan 0.000 0.487 184 P HA -0.057 nan 4.420 nan 0.000 0.222 184 P C 1.072 178.292 177.300 -0.133 0.000 1.147 184 P CA 0.870 63.859 63.100 -0.184 0.000 0.790 184 P CB 0.338 31.873 31.700 -0.275 0.000 0.780 185 R N -0.838 119.587 120.500 -0.126 0.000 2.073 185 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 185 R C 2.149 178.405 176.300 -0.074 0.000 1.120 185 R CA 1.067 57.115 56.100 -0.088 0.000 0.967 185 R CB -0.711 29.542 30.300 -0.078 0.000 0.862 185 R HN 0.160 nan 8.270 nan 0.000 0.436 186 I N 0.373 120.894 120.570 -0.081 0.000 2.206 186 I HA -0.059 4.111 4.170 -0.000 0.000 0.239 186 I C 0.832 176.898 176.117 -0.085 0.000 1.078 186 I CA 0.998 62.256 61.300 -0.071 0.000 1.367 186 I CB -0.423 37.538 38.000 -0.065 0.000 1.078 186 I HN -0.134 nan 8.210 nan 0.000 0.413 187 V N 3.648 123.484 119.914 -0.129 0.000 2.304 187 V HA 0.155 4.275 4.120 -0.000 0.000 0.269 187 V C -1.465 174.537 176.094 -0.153 0.000 1.036 187 V CA -0.963 61.230 62.300 -0.179 0.000 0.840 187 V CB 0.932 32.527 31.823 -0.379 0.000 1.036 187 V HN 0.102 nan 8.190 nan 0.000 0.466 188 P HA -0.069 nan 4.420 nan 0.000 0.217 188 P C 0.801 178.087 177.300 -0.023 0.000 1.150 188 P CA 1.231 64.303 63.100 -0.048 0.000 0.832 188 P CB 0.095 31.781 31.700 -0.023 0.000 0.787 189 N N -0.488 118.209 118.700 -0.005 0.000 2.362 189 N HA 0.214 4.954 4.740 -0.000 0.000 0.211 189 N C -0.034 175.555 175.510 0.131 0.000 1.170 189 N CA -0.443 52.650 53.050 0.071 0.000 0.828 189 N CB -0.013 38.543 38.487 0.116 0.000 1.034 189 N HN 0.056 nan 8.380 nan 0.000 0.475 190 A N 1.914 124.725 122.820 -0.015 0.000 2.438 190 A HA 0.067 4.387 4.320 -0.000 0.000 0.280 190 A C 0.549 178.258 177.584 0.207 0.000 1.160 190 A CA -0.342 51.718 52.037 0.038 0.000 0.821 190 A CB 0.005 18.933 19.000 -0.122 0.000 1.101 190 A HN 0.391 nan 8.150 nan 0.000 0.515 191 Q N 2.341 122.274 119.800 0.222 0.000 2.166 191 Q HA 0.544 4.884 4.340 -0.000 0.000 0.226 191 Q C -0.204 175.820 176.000 0.040 0.000 0.989 191 Q CA -0.915 54.980 55.803 0.153 0.000 0.966 191 Q CB 0.886 29.671 28.738 0.078 0.000 1.173 191 Q HN 0.582 nan 8.270 nan 0.000 0.509 192 K N 0.812 121.090 120.400 -0.203 0.000 2.156 192 K HA 0.279 4.599 4.320 -0.000 0.000 0.271 192 K C -1.075 175.346 176.600 -0.298 0.000 0.995 192 K CA -0.740 55.194 56.287 -0.588 0.000 0.890 192 K CB 0.743 32.771 32.500 -0.788 0.000 1.073 192 K HN 0.478 nan 8.250 nan 0.000 0.454 193 L N 3.746 124.806 121.223 -0.272 0.000 2.416 193 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 193 L C 1.593 178.373 176.870 -0.151 0.000 1.161 193 L CA 0.657 55.403 54.840 -0.157 0.000 0.845 193 L CB 0.938 42.925 42.059 -0.119 0.000 1.119 193 L HN 0.872 nan 8.230 nan 0.000 0.464 194 E N 2.432 122.566 120.200 -0.110 0.000 2.051 194 E HA -0.068 4.282 4.350 -0.000 0.000 0.189 194 E C 0.036 176.577 176.600 -0.098 0.000 0.979 194 E CA 0.908 57.251 56.400 -0.096 0.000 0.803 194 E CB 0.501 30.157 29.700 -0.073 0.000 0.761 194 E HN 0.686 nan 8.360 nan 0.000 0.451 195 K N -0.641 119.702 120.400 -0.096 0.000 2.579 195 K HA 0.503 4.823 4.320 -0.000 0.000 0.284 195 K C -1.096 175.440 176.600 -0.107 0.000 0.990 195 K CA -0.919 55.304 56.287 -0.107 0.000 0.880 195 K CB 1.338 33.774 32.500 -0.107 0.000 1.488 195 K HN 0.071 nan 8.250 nan 0.000 0.425 196 L N -2.021 119.124 121.223 -0.130 0.000 2.720 196 L HA 0.631 4.971 4.340 -0.000 0.000 0.261 196 L C -0.525 176.237 176.870 -0.181 0.000 1.046 196 L CA -1.110 53.655 54.840 -0.125 0.000 0.886 196 L CB 1.730 43.733 42.059 -0.094 0.000 1.493 196 L HN 0.913 nan 8.230 nan 0.000 0.407 197 S N -0.607 115.002 115.700 -0.151 0.000 2.624 197 S HA 0.414 4.884 4.470 -0.000 0.000 0.263 197 S C 0.804 175.302 174.600 -0.171 0.000 1.287 197 S CA -0.396 57.690 58.200 -0.189 0.000 0.990 197 S CB 0.439 63.595 63.200 -0.074 0.000 0.950 197 S HN 0.575 nan 8.310 nan 0.000 0.561 198 F N 0.894 120.831 119.950 -0.021 0.000 2.095 198 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 198 F C 2.581 178.365 175.800 -0.026 0.000 1.104 198 F CA 1.813 59.801 58.000 -0.020 0.000 1.232 198 F CB -0.486 38.505 39.000 -0.016 0.000 0.987 198 F HN 0.568 nan 8.300 nan 0.000 0.475 199 E N 0.233 120.529 120.200 0.161 0.000 2.072 199 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 199 E C 1.905 178.522 176.600 0.029 0.000 0.985 199 E CA 1.245 57.688 56.400 0.073 0.000 0.801 199 E CB -0.338 29.389 29.700 0.046 0.000 0.750 199 E HN 0.419 nan 8.360 nan 0.000 0.452 200 E N -0.199 120.006 120.200 0.007 0.000 2.153 200 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 200 E C 1.845 178.440 176.600 -0.009 0.000 0.988 200 E CA 1.086 57.477 56.400 -0.016 0.000 0.811 200 E CB -0.068 29.609 29.700 -0.038 0.000 0.746 200 E HN 0.165 nan 8.360 nan 0.000 0.466 201 M N 0.309 119.912 119.600 0.004 0.000 2.160 201 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 201 M C 1.791 178.104 176.300 0.022 0.000 1.073 201 M CA 1.136 56.442 55.300 0.011 0.000 1.142 201 M CB -0.129 32.483 32.600 0.020 0.000 1.358 201 M HN 0.036 nan 8.290 nan 0.000 0.422 202 L N 0.763 122.008 121.223 0.037 0.000 2.043 202 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 202 L C 2.418 179.290 176.870 0.004 0.000 1.075 202 L CA 1.865 56.718 54.840 0.021 0.000 0.752 202 L CB -1.431 40.641 42.059 0.020 0.000 0.891 202 L HN 0.384 nan 8.230 nan 0.000 0.432 203 E N -0.846 119.354 120.200 0.000 0.000 2.072 203 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 203 E C 2.421 179.018 176.600 -0.005 0.000 0.982 203 E CA 0.713 57.108 56.400 -0.009 0.000 0.803 203 E CB -0.195 29.494 29.700 -0.017 0.000 0.755 203 E HN 0.433 nan 8.360 nan 0.000 0.453 204 L N 0.554 121.776 121.223 -0.000 0.000 2.017 204 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 204 L C 2.546 179.422 176.870 0.010 0.000 1.073 204 L CA 1.298 56.142 54.840 0.007 0.000 0.745 204 L CB -0.461 41.604 42.059 0.010 0.000 0.894 204 L HN 0.082 nan 8.230 nan 0.000 0.432 205 A N -0.351 122.475 122.820 0.010 0.000 1.933 205 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 205 A C 2.487 180.074 177.584 0.005 0.000 1.175 205 A CA 1.567 53.610 52.037 0.010 0.000 0.628 205 A CB -0.663 18.343 19.000 0.011 0.000 0.814 205 A HN 0.443 nan 8.150 nan 0.000 0.444 206 A N -0.242 122.578 122.820 0.000 0.000 1.908 206 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 206 A C 1.954 179.538 177.584 -0.000 0.000 1.181 206 A CA 2.307 54.341 52.037 -0.004 0.000 0.627 206 A CB -0.880 18.113 19.000 -0.012 0.000 0.818 206 A HN 1.268 nan 8.150 nan 0.000 0.445 207 V N -4.499 115.416 119.914 0.003 0.000 3.276 207 V HA 0.649 4.769 4.120 -0.000 0.000 0.319 207 V C 0.728 176.830 176.094 0.013 0.000 1.427 207 V CA 0.406 62.710 62.300 0.007 0.000 1.102 207 V CB -0.405 31.421 31.823 0.005 0.000 1.020 207 V HN 0.572 nan 8.190 nan 0.000 0.456 208 G N -0.086 108.722 108.800 0.013 0.000 3.214 208 G HA2 0.472 4.432 3.960 -0.000 0.000 0.188 208 G HA3 0.472 4.432 3.960 -0.000 0.000 0.188 208 G C -0.819 174.088 174.900 0.011 0.000 1.126 208 G CA -0.332 44.777 45.100 0.015 0.000 0.796 208 G HN 0.157 nan 8.290 nan 0.000 0.631 209 S N 1.061 116.768 115.700 0.011 0.000 2.510 209 S HA 0.236 4.706 4.470 -0.000 0.000 0.279 209 S C 0.061 174.668 174.600 0.011 0.000 1.284 209 S CA -0.164 58.041 58.200 0.008 0.000 1.059 209 S CB 0.633 63.835 63.200 0.004 0.000 0.901 209 S HN 0.315 nan 8.310 nan 0.000 0.491 210 K N 3.558 123.964 120.400 0.010 0.000 2.294 210 K HA 0.153 4.473 4.320 -0.000 0.000 0.288 210 K C 0.450 177.057 176.600 0.011 0.000 1.072 210 K CA 0.023 56.317 56.287 0.011 0.000 0.960 210 K CB 0.101 32.608 32.500 0.011 0.000 1.043 210 K HN 0.588 nan 8.250 nan 0.000 0.455 211 I N 2.781 123.359 120.570 0.013 0.000 2.852 211 I HA -0.121 4.048 4.170 -0.000 0.000 0.264 211 I C 0.294 176.417 176.117 0.009 0.000 1.179 211 I CA 0.558 61.865 61.300 0.012 0.000 1.480 211 I CB 0.101 38.112 38.000 0.018 0.000 1.111 211 I HN 0.396 nan 8.210 nan 0.000 0.441 212 L N -3.186 118.045 121.223 0.012 0.000 2.502 212 L HA 0.530 4.870 4.340 -0.000 0.000 0.253 212 L C -0.514 176.367 176.870 0.019 0.000 1.070 212 L CA -1.183 53.666 54.840 0.015 0.000 0.871 212 L CB 0.351 42.418 42.059 0.013 0.000 1.487 212 L HN -0.465 nan 8.230 nan 0.000 0.408 213 V N 2.493 122.422 119.914 0.026 0.000 2.446 213 V HA 0.051 4.171 4.120 -0.000 0.000 0.276 213 V C 1.548 177.652 176.094 0.017 0.000 1.030 213 V CA -0.247 62.068 62.300 0.025 0.000 1.033 213 V CB 0.534 32.380 31.823 0.038 0.000 0.993 213 V HN 0.711 nan 8.190 nan 0.000 0.477 214 L N 5.589 126.812 121.223 0.001 0.000 1.997 214 L HA -0.211 4.129 4.340 -0.000 0.000 0.216 214 L C 2.460 179.300 176.870 -0.050 0.000 1.074 214 L CA 1.996 56.825 54.840 -0.018 0.000 0.763 214 L CB -1.042 40.999 42.059 -0.030 0.000 0.890 214 L HN 0.627 nan 8.230 nan 0.000 0.434 215 R N -0.559 119.898 120.500 -0.071 0.000 2.105 215 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 215 R C 2.463 178.680 176.300 -0.138 0.000 1.135 215 R CA 1.454 57.449 56.100 -0.174 0.000 0.967 215 R CB -0.805 29.413 30.300 -0.137 0.000 0.861 215 R HN 0.619 nan 8.270 nan 0.000 0.442 216 S N -0.082 115.642 115.700 0.039 0.000 2.383 216 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 216 S C 2.050 176.718 174.600 0.113 0.000 1.026 216 S CA 1.179 59.470 58.200 0.152 0.000 0.981 216 S CB -0.373 62.899 63.200 0.121 0.000 0.818 216 S HN 0.084 nan 8.310 nan 0.000 0.472 217 V N 1.939 121.886 119.914 0.056 0.000 2.548 217 V HA -0.042 4.078 4.120 -0.000 0.000 0.249 217 V C 2.843 178.931 176.094 -0.010 0.000 1.055 217 V CA 1.939 64.283 62.300 0.075 0.000 1.065 217 V CB -0.917 30.960 31.823 0.090 0.000 0.681 217 V HN 0.513 nan 8.190 nan 0.000 0.462 218 E N 0.159 120.307 120.200 -0.087 0.000 2.072 218 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 218 E C 2.014 178.517 176.600 -0.162 0.000 0.985 218 E CA 1.675 57.971 56.400 -0.174 0.000 0.801 218 E CB -0.500 29.053 29.700 -0.245 0.000 0.750 218 E HN 0.685 nan 8.360 nan 0.000 0.452 219 Y N -0.024 120.270 120.300 -0.011 0.000 2.165 219 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 219 Y C 2.365 178.302 175.900 0.063 0.000 1.155 219 Y CA 0.781 58.940 58.100 0.098 0.000 1.164 219 Y CB -0.350 38.186 38.460 0.127 0.000 0.978 219 Y HN 0.187 nan 8.280 nan 0.000 0.513 220 A N 0.261 123.141 122.820 0.099 0.000 1.972 220 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 220 A C 2.192 179.355 177.584 -0.703 0.000 1.169 220 A CA 1.824 53.812 52.037 -0.082 0.000 0.635 220 A CB -0.679 18.372 19.000 0.085 0.000 0.810 220 A HN 0.459 nan 8.150 nan 0.000 0.446 221 R N -0.528 119.442 120.500 -0.883 0.000 2.062 221 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 221 R C 2.274 178.221 176.300 -0.588 0.000 1.128 221 R CA 1.318 56.700 56.100 -1.196 0.000 0.960 221 R CB -0.372 29.581 30.300 -0.578 0.000 0.855 221 R HN 0.408 nan 8.270 nan 0.000 0.432 222 A N -0.227 122.370 122.820 -0.372 0.000 1.969 222 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 222 A C 1.329 178.590 177.584 -0.537 0.000 1.169 222 A CA 0.924 52.711 52.037 -0.417 0.000 0.635 222 A CB -0.218 18.514 19.000 -0.447 0.000 0.810 222 A HN 0.393 nan 8.150 nan 0.000 0.445 223 F N -0.625 119.251 119.950 -0.124 0.000 2.653 223 F HA 0.263 4.790 4.527 0.000 0.000 0.304 223 F C 0.809 176.567 175.800 -0.070 0.000 1.092 223 F CA -0.140 57.816 58.000 -0.073 0.000 1.279 223 F CB -0.465 38.508 39.000 -0.044 0.000 1.044 223 F HN 0.374 nan 8.300 nan 0.000 0.564 224 N N 1.621 120.303 118.700 -0.030 0.000 2.688 224 N HA -0.210 4.530 4.740 -0.000 0.000 0.258 224 N C -0.746 174.878 175.510 0.190 0.000 1.016 224 N CA 0.031 53.124 53.050 0.072 0.000 0.747 224 N CB -0.507 38.047 38.487 0.110 0.000 0.895 224 N HN 0.166 nan 8.380 nan 0.000 0.543 225 V N 1.710 121.742 119.914 0.196 0.000 2.347 225 V HA 0.547 4.667 4.120 -0.000 0.000 0.280 225 V C -2.149 174.144 176.094 0.332 0.000 1.021 225 V CA -1.665 60.758 62.300 0.205 0.000 0.847 225 V CB 1.486 33.382 31.823 0.121 0.000 0.990 225 V HN 0.105 nan 8.190 nan 0.000 0.444 226 P HA 0.251 nan 4.420 nan 0.000 0.265 226 P C -0.734 176.624 177.300 0.096 0.000 1.193 226 P CA 0.333 63.512 63.100 0.132 0.000 0.765 226 P CB 0.479 32.203 31.700 0.039 0.000 0.823 227 L N 3.024 124.279 121.223 0.054 0.000 2.303 227 L HA 0.706 5.046 4.340 -0.000 0.000 0.266 227 L C 0.475 177.310 176.870 -0.058 0.000 1.011 227 L CA -0.920 53.931 54.840 0.018 0.000 0.818 227 L CB 1.911 44.009 42.059 0.065 0.000 1.326 227 L HN 0.207 nan 8.230 nan 0.000 0.435 228 R N 1.053 121.496 120.500 -0.094 0.000 2.713 228 R HA 0.380 4.720 4.340 -0.000 0.000 0.282 228 R C -1.821 174.361 176.300 -0.197 0.000 1.472 228 R CA -0.340 55.674 56.100 -0.142 0.000 1.060 228 R CB 1.167 31.375 30.300 -0.153 0.000 1.237 228 R HN 0.331 nan 8.270 nan 0.000 0.484 229 V N 6.276 126.100 119.914 -0.150 0.000 2.446 229 V HA 0.395 4.515 4.120 -0.000 0.000 0.276 229 V C 0.314 176.305 176.094 -0.171 0.000 1.030 229 V CA 0.411 62.623 62.300 -0.148 0.000 1.033 229 V CB 0.075 31.849 31.823 -0.083 0.000 0.993 229 V HN 0.815 nan 8.190 nan 0.000 0.477 230 R N 2.781 123.141 120.500 -0.233 0.000 2.733 230 R HA 0.643 4.983 4.340 -0.000 0.000 0.272 230 R C -0.998 175.253 176.300 -0.082 0.000 1.029 230 R CA -0.740 55.252 56.100 -0.180 0.000 0.888 230 R CB 1.615 31.770 30.300 -0.242 0.000 1.251 230 R HN 0.437 nan 8.270 nan 0.000 0.464 231 S N -0.041 115.692 115.700 0.055 0.000 2.480 231 S HA 0.139 4.609 4.470 -0.000 0.000 0.286 231 S C 0.852 175.669 174.600 0.362 0.000 1.180 231 S CA -0.192 58.092 58.200 0.139 0.000 1.075 231 S CB 1.163 64.413 63.200 0.084 0.000 0.996 231 S HN 0.678 nan 8.310 nan 0.000 0.487 232 S N 4.645 120.610 115.700 0.442 0.000 2.515 232 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 232 S C 1.099 175.965 174.600 0.444 0.000 0.987 232 S CA 0.337 58.808 58.200 0.451 0.000 0.936 232 S CB -0.465 63.006 63.200 0.452 0.000 0.766 232 S HN 0.816 nan 8.310 nan 0.000 0.528 233 Y N 3.052 123.431 120.300 0.133 0.000 2.314 233 Y HA 0.291 4.841 4.550 0.000 0.000 0.294 233 Y C 1.952 177.898 175.900 0.076 0.000 1.119 233 Y CA -0.479 57.671 58.100 0.084 0.000 1.179 233 Y CB -0.842 37.663 38.460 0.074 0.000 1.025 233 Y HN 0.514 nan 8.280 nan 0.000 0.541 234 S N -0.691 115.163 115.700 0.255 0.000 2.753 234 S HA 0.314 4.784 4.470 -0.000 0.000 0.302 234 S C 0.476 175.163 174.600 0.145 0.000 1.104 234 S CA -0.650 57.648 58.200 0.165 0.000 0.968 234 S CB 1.241 64.524 63.200 0.138 0.000 1.278 234 S HN 0.123 nan 8.310 nan 0.000 0.549 235 N N 0.677 119.442 118.700 0.108 0.000 2.184 235 N HA 0.200 4.940 4.740 -0.000 0.000 0.206 235 N C -0.725 174.833 175.510 0.080 0.000 1.151 235 N CA -0.073 53.035 53.050 0.096 0.000 0.878 235 N CB -0.084 38.446 38.487 0.071 0.000 1.014 235 N HN 0.680 nan 8.380 nan 0.000 0.512 236 D N 2.500 122.944 120.400 0.073 0.000 2.493 236 D HA -0.017 4.623 4.640 -0.000 0.000 0.240 236 D C -1.239 175.081 176.300 0.034 0.000 1.142 236 D CA -0.921 53.106 54.000 0.045 0.000 0.872 236 D CB 1.669 42.494 40.800 0.042 0.000 1.173 236 D HN 0.103 nan 8.370 nan 0.000 0.467 237 P HA 0.021 nan 4.420 nan 0.000 0.226 237 P C 0.790 178.063 177.300 -0.045 0.000 1.153 237 P CA 0.731 63.827 63.100 -0.006 0.000 0.777 237 P CB 0.185 31.878 31.700 -0.012 0.000 0.794 238 G N -0.590 108.177 108.800 -0.055 0.000 2.681 238 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 238 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 238 G C -0.742 174.093 174.900 -0.109 0.000 1.353 238 G CA -0.372 44.676 45.100 -0.087 0.000 0.872 238 G HN 0.222 nan 8.290 nan 0.000 0.557 239 T N 0.768 115.249 114.554 -0.121 0.000 2.767 239 T HA 0.518 4.868 4.350 -0.000 0.000 0.284 239 T C 0.136 174.767 174.700 -0.115 0.000 0.973 239 T CA -0.177 61.850 62.100 -0.123 0.000 0.996 239 T CB 1.581 70.372 68.868 -0.129 0.000 0.927 239 T HN 0.992 nan 8.240 nan 0.000 0.456 240 L N 4.805 125.961 121.223 -0.113 0.000 2.290 240 L HA 0.532 4.872 4.340 -0.000 0.000 0.284 240 L C -1.044 175.737 176.870 -0.148 0.000 1.078 240 L CA -0.297 54.472 54.840 -0.118 0.000 0.815 240 L CB 0.088 42.083 42.059 -0.107 0.000 1.162 240 L HN 0.513 nan 8.230 nan 0.000 0.435 241 I N 6.371 126.842 120.570 -0.166 0.000 2.330 241 I HA 0.534 4.704 4.170 -0.000 0.000 0.286 241 I C 0.611 176.456 176.117 -0.453 0.000 1.025 241 I CA 0.505 61.645 61.300 -0.266 0.000 1.197 241 I CB 1.177 39.072 38.000 -0.175 0.000 1.358 241 I HN 0.800 nan 8.210 nan 0.000 0.467 242 A N 4.204 126.689 122.820 -0.558 0.000 1.780 242 A HA 0.563 4.883 4.320 -0.000 0.000 0.208 242 A C 1.273 178.474 177.584 -0.638 0.000 1.761 242 A CA 0.378 52.083 52.037 -0.554 0.000 1.183 242 A CB -0.675 18.188 19.000 -0.229 0.000 1.162 242 A HN 0.593 nan 8.150 nan 0.000 0.472 243 G N 0.404 108.957 108.800 -0.412 0.000 2.491 243 G HA2 0.386 4.346 3.960 -0.000 0.000 0.238 243 G HA3 0.386 4.346 3.960 -0.000 0.000 0.238 243 G C 0.034 174.845 174.900 -0.149 0.000 1.277 243 G CA 0.728 45.699 45.100 -0.215 0.000 0.851 243 G HN 0.415 nan 8.290 nan 0.000 0.573 244 S N 1.947 117.670 115.700 0.038 0.000 2.438 244 S HA 0.188 4.658 4.470 -0.000 0.000 0.293 244 S C 1.513 176.144 174.600 0.053 0.000 1.141 244 S CA -0.669 57.613 58.200 0.137 0.000 1.080 244 S CB 0.787 64.081 63.200 0.156 0.000 0.978 244 S HN 0.592 nan 8.310 nan 0.000 0.479 245 M N 4.772 124.401 119.600 0.049 0.000 2.088 245 M HA -0.198 4.282 4.480 -0.000 0.000 0.256 245 M C 2.119 178.429 176.300 0.016 0.000 1.071 245 M CA 2.732 58.042 55.300 0.018 0.000 1.097 245 M CB -0.940 31.671 32.600 0.018 0.000 1.315 245 M HN 0.860 nan 8.290 nan 0.000 0.406 246 E N 0.188 120.402 120.200 0.023 0.000 2.333 246 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 246 E C 1.249 177.857 176.600 0.014 0.000 1.007 246 E CA 1.868 58.277 56.400 0.015 0.000 0.845 246 E CB -1.695 28.012 29.700 0.012 0.000 0.766 246 E HN 0.892 nan 8.360 nan 0.000 0.507 247 D N -1.240 119.172 120.400 0.019 0.000 2.340 247 D HA 0.498 5.138 4.640 -0.000 0.000 0.217 247 D C 0.757 177.062 176.300 0.007 0.000 1.081 247 D CA 0.451 54.460 54.000 0.015 0.000 0.842 247 D CB -0.513 40.300 40.800 0.022 0.000 0.934 247 D HN 0.896 nan 8.370 nan 0.000 0.511 248 I N 0.893 121.465 120.570 0.004 0.000 2.365 248 I HA 0.657 4.827 4.170 -0.000 0.000 0.291 248 I C -2.416 173.704 176.117 0.005 0.000 1.004 248 I CA -2.497 58.801 61.300 -0.002 0.000 1.311 248 I CB 0.857 38.850 38.000 -0.012 0.000 1.401 248 I HN -0.026 nan 8.210 nan 0.000 0.491 249 P HA 0.288 nan 4.420 nan 0.000 0.271 249 P C 1.069 178.385 177.300 0.026 0.000 1.220 249 P CA -0.075 63.033 63.100 0.013 0.000 0.768 249 P CB 1.469 33.175 31.700 0.010 0.000 0.848 250 V N 3.177 123.113 119.914 0.037 0.000 2.453 250 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 250 V C 2.088 178.245 176.094 0.105 0.000 1.068 250 V CA 2.471 64.815 62.300 0.074 0.000 1.070 250 V CB -0.775 31.082 31.823 0.057 0.000 0.664 250 V HN 0.738 nan 8.190 nan 0.000 0.461 251 E N -0.129 120.107 120.200 0.062 0.000 2.070 251 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 251 E C 1.747 178.383 176.600 0.060 0.000 1.004 251 E CA 1.807 58.243 56.400 0.060 0.000 0.805 251 E CB -0.128 29.590 29.700 0.030 0.000 0.744 251 E HN 0.653 nan 8.360 nan 0.000 0.451 252 E N -0.124 120.097 120.200 0.035 0.000 2.437 252 E HA 0.246 4.596 4.350 -0.000 0.000 0.195 252 E C -1.257 175.341 176.600 -0.003 0.000 1.029 252 E CA -0.046 56.362 56.400 0.013 0.000 0.948 252 E CB 0.616 30.318 29.700 0.003 0.000 1.082 252 E HN 0.327 nan 8.360 nan 0.000 0.456 253 A N 0.870 123.692 122.820 0.004 0.000 2.310 253 A HA 0.513 4.833 4.320 -0.000 0.000 0.300 253 A C 0.267 177.795 177.584 -0.092 0.000 1.269 253 A CA -0.382 51.636 52.037 -0.032 0.000 0.909 253 A CB 0.018 19.013 19.000 -0.009 0.000 1.144 253 A HN 0.220 nan 8.150 nan 0.000 0.540 254 V N 1.684 121.545 119.914 -0.088 0.000 3.193 254 V HA 0.732 4.852 4.120 -0.000 0.000 0.320 254 V C 0.072 176.093 176.094 -0.122 0.000 1.112 254 V CA -1.152 61.085 62.300 -0.105 0.000 1.026 254 V CB 1.001 32.783 31.823 -0.069 0.000 1.128 254 V HN 0.660 nan 8.190 nan 0.000 0.452 255 L N 1.241 122.390 121.223 -0.122 0.000 2.371 255 L HA 0.407 4.747 4.340 -0.000 0.000 0.272 255 L C 1.348 178.162 176.870 -0.093 0.000 1.124 255 L CA 0.040 54.799 54.840 -0.135 0.000 0.816 255 L CB 1.433 43.386 42.059 -0.176 0.000 1.129 255 L HN 0.935 nan 8.230 nan 0.000 0.448 256 T N 0.421 114.924 114.554 -0.084 0.000 2.980 256 T HA 0.326 4.676 4.350 -0.000 0.000 0.239 256 T C 0.487 175.175 174.700 -0.020 0.000 1.011 256 T CA 0.462 62.531 62.100 -0.052 0.000 1.171 256 T CB 0.481 69.320 68.868 -0.048 0.000 0.873 256 T HN 0.800 nan 8.240 nan 0.000 0.431 257 G N -0.001 108.793 108.800 -0.010 0.000 2.495 257 G HA2 0.507 4.467 3.960 -0.000 0.000 0.294 257 G HA3 0.507 4.467 3.960 -0.000 0.000 0.294 257 G C -2.104 172.831 174.900 0.058 0.000 1.397 257 G CA -0.628 44.502 45.100 0.051 0.000 0.790 257 G HN 0.164 nan 8.290 nan 0.000 0.486 258 V N 0.100 120.084 119.914 0.116 0.000 2.581 258 V HA 0.840 4.960 4.120 -0.000 0.000 0.303 258 V C 0.416 176.555 176.094 0.075 0.000 1.041 258 V CA -0.030 62.333 62.300 0.105 0.000 0.907 258 V CB 1.239 33.149 31.823 0.146 0.000 0.994 258 V HN 1.503 nan 8.190 nan 0.000 0.442 259 A N 3.006 125.864 122.820 0.064 0.000 2.454 259 A HA 0.984 5.304 4.320 -0.000 0.000 0.302 259 A C -0.252 177.357 177.584 0.042 0.000 1.079 259 A CA -0.419 51.644 52.037 0.044 0.000 0.731 259 A CB 2.123 21.145 19.000 0.036 0.000 1.299 259 A HN 0.949 nan 8.150 nan 0.000 0.413 260 T N -1.328 113.241 114.554 0.025 0.000 2.903 260 T HA 0.709 5.059 4.350 -0.000 0.000 0.299 260 T C -1.723 172.984 174.700 0.013 0.000 1.093 260 T CA -0.553 61.559 62.100 0.020 0.000 1.002 260 T CB 2.037 70.910 68.868 0.008 0.000 1.127 260 T HN 0.585 nan 8.240 nan 0.000 0.488 261 D N 0.263 120.671 120.400 0.012 0.000 2.613 261 D HA 0.284 4.924 4.640 -0.000 0.000 0.230 261 D C -0.180 176.122 176.300 0.003 0.000 1.365 261 D CA -0.546 53.459 54.000 0.008 0.000 0.976 261 D CB 2.049 42.856 40.800 0.012 0.000 1.415 261 D HN 0.682 nan 8.370 nan 0.000 0.589 262 K N 1.389 121.788 120.400 -0.000 0.000 2.372 262 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 262 K C 1.016 177.613 176.600 -0.005 0.000 1.022 262 K CA 0.280 56.564 56.287 -0.006 0.000 1.125 262 K CB 0.351 32.847 32.500 -0.007 0.000 0.855 262 K HN 0.277 nan 8.250 nan 0.000 0.524 263 S N -0.672 115.029 115.700 0.001 0.000 2.524 263 S HA 0.144 4.614 4.470 -0.000 0.000 0.215 263 S C 0.091 174.698 174.600 0.012 0.000 0.986 263 S CA -0.454 57.751 58.200 0.008 0.000 0.911 263 S CB 0.171 63.380 63.200 0.014 0.000 0.805 263 S HN 0.071 nan 8.310 nan 0.000 0.501 264 E N 1.650 121.852 120.200 0.003 0.000 2.283 264 E HA 0.697 5.047 4.350 -0.000 0.000 0.271 264 E C -0.448 176.133 176.600 -0.031 0.000 1.031 264 E CA -0.396 56.007 56.400 0.004 0.000 0.868 264 E CB 1.603 31.307 29.700 0.006 0.000 1.094 264 E HN 0.374 nan 8.360 nan 0.000 0.401 265 A N 1.948 124.749 122.820 -0.032 0.000 2.320 265 A HA 0.527 4.847 4.320 -0.000 0.000 0.334 265 A C -0.317 177.179 177.584 -0.147 0.000 1.147 265 A CA -0.776 51.185 52.037 -0.127 0.000 0.820 265 A CB 0.825 19.771 19.000 -0.089 0.000 1.218 265 A HN 0.587 nan 8.150 nan 0.000 0.482 266 K N 1.008 121.264 120.400 -0.239 0.000 2.292 266 K HA 0.692 5.012 4.320 -0.000 0.000 0.257 266 K C -1.670 174.728 176.600 -0.338 0.000 0.940 266 K CA -0.527 55.598 56.287 -0.271 0.000 0.811 266 K CB 1.876 34.260 32.500 -0.194 0.000 1.120 266 K HN 0.278 nan 8.250 nan 0.000 0.428 267 V N 2.647 122.217 119.914 -0.574 0.000 2.513 267 V HA 0.383 4.503 4.120 -0.000 0.000 0.299 267 V C -0.582 175.227 176.094 -0.475 0.000 1.035 267 V CA -0.580 61.405 62.300 -0.525 0.000 0.889 267 V CB 1.958 33.335 31.823 -0.743 0.000 0.988 267 V HN 0.950 nan 8.190 nan 0.000 0.440 268 T N 3.777 118.188 114.554 -0.238 0.000 2.812 268 T HA 0.465 4.815 4.350 -0.000 0.000 0.282 268 T C -0.513 174.092 174.700 -0.159 0.000 0.990 268 T CA -0.365 61.635 62.100 -0.166 0.000 0.960 268 T CB 1.604 70.404 68.868 -0.112 0.000 0.948 268 T HN 0.312 nan 8.240 nan 0.000 0.438 269 V N 5.409 125.197 119.914 -0.209 0.000 2.334 269 V HA 0.345 4.465 4.120 -0.000 0.000 0.267 269 V C 0.154 176.107 176.094 -0.234 0.000 1.040 269 V CA -0.669 61.416 62.300 -0.359 0.000 0.866 269 V CB 0.454 31.844 31.823 -0.722 0.000 1.019 269 V HN 0.733 nan 8.190 nan 0.000 0.468 270 L N 3.988 125.135 121.223 -0.126 0.000 2.350 270 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 270 L C 1.266 178.154 176.870 0.030 0.000 1.099 270 L CA 0.177 54.996 54.840 -0.034 0.000 0.808 270 L CB 1.012 43.072 42.059 0.000 0.000 1.149 270 L HN 0.879 nan 8.230 nan 0.000 0.442 271 G N 3.498 112.325 108.800 0.046 0.000 2.256 271 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.272 271 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.272 271 G C -0.191 174.799 174.900 0.149 0.000 1.076 271 G CA -0.378 44.777 45.100 0.092 0.000 0.882 271 G HN 0.465 nan 8.290 nan 0.000 0.497 272 I N 1.662 122.302 120.570 0.116 0.000 2.371 272 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 272 I C 1.331 177.518 176.117 0.117 0.000 1.028 272 I CA -0.087 61.312 61.300 0.166 0.000 1.345 272 I CB 1.333 39.384 38.000 0.086 0.000 1.407 272 I HN 0.420 nan 8.210 nan 0.000 0.501 273 S N 3.282 119.056 115.700 0.124 0.000 2.549 273 S HA 0.031 4.501 4.470 -0.000 0.000 0.279 273 S C 0.088 174.730 174.600 0.070 0.000 1.321 273 S CA -0.754 57.494 58.200 0.081 0.000 1.054 273 S CB 0.982 64.223 63.200 0.068 0.000 0.899 273 S HN 0.593 nan 8.310 nan 0.000 0.497 274 D N 2.252 122.683 120.400 0.053 0.000 2.801 274 D HA 0.180 4.820 4.640 -0.000 0.000 0.232 274 D C 0.184 176.509 176.300 0.041 0.000 1.128 274 D CA -0.203 53.824 54.000 0.046 0.000 1.003 274 D CB -0.432 40.390 40.800 0.036 0.000 1.110 274 D HN 0.736 nan 8.370 nan 0.000 0.477 275 K N 0.053 120.481 120.400 0.047 0.000 2.395 275 K HA 0.726 5.046 4.320 -0.000 0.000 0.247 275 K C -2.922 173.704 176.600 0.044 0.000 0.973 275 K CA -1.968 54.343 56.287 0.040 0.000 0.828 275 K CB 1.370 33.891 32.500 0.035 0.000 1.272 275 K HN -0.219 nan 8.250 nan 0.000 0.439 276 P HA 0.086 nan 4.420 nan 0.000 0.269 276 P C 0.462 177.789 177.300 0.044 0.000 1.209 276 P CA 0.976 64.099 63.100 0.039 0.000 0.776 276 P CB 0.657 32.374 31.700 0.029 0.000 0.876 277 G N 1.403 110.235 108.800 0.053 0.000 2.213 277 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 277 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 277 G C 1.092 176.040 174.900 0.080 0.000 0.991 277 G CA -0.062 45.072 45.100 0.058 0.000 0.629 277 G HN 0.505 nan 8.290 nan 0.000 0.517 278 E N 0.591 120.846 120.200 0.093 0.000 2.033 278 E HA 0.116 4.466 4.350 -0.000 0.000 0.189 278 E C 2.943 179.622 176.600 0.131 0.000 0.979 278 E CA 1.279 57.757 56.400 0.130 0.000 0.802 278 E CB -0.696 29.086 29.700 0.136 0.000 0.763 278 E HN 0.808 nan 8.360 nan 0.000 0.449 279 A N 2.023 124.916 122.820 0.122 0.000 1.927 279 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 279 A C 2.457 180.170 177.584 0.215 0.000 1.185 279 A CA 2.497 54.641 52.037 0.178 0.000 0.639 279 A CB -0.753 18.393 19.000 0.243 0.000 0.820 279 A HN 0.281 nan 8.150 nan 0.000 0.451 280 A N -0.275 122.643 122.820 0.163 0.000 1.892 280 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 280 A C 2.118 179.770 177.584 0.113 0.000 1.188 280 A CA 2.067 54.187 52.037 0.139 0.000 0.631 280 A CB -0.532 18.523 19.000 0.092 0.000 0.822 280 A HN 0.593 nan 8.150 nan 0.000 0.447 281 K N -0.612 119.854 120.400 0.110 0.000 2.032 281 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 281 K C 1.921 178.594 176.600 0.122 0.000 1.048 281 K CA 1.484 57.849 56.287 0.129 0.000 0.927 281 K CB -0.477 32.132 32.500 0.182 0.000 0.712 281 K HN 0.313 nan 8.250 nan 0.000 0.441 282 V N 0.724 120.639 119.914 0.002 0.000 2.255 282 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 282 V C 1.976 177.823 176.094 -0.411 0.000 1.051 282 V CA 1.885 63.981 62.300 -0.339 0.000 1.018 282 V CB -0.476 30.820 31.823 -0.877 0.000 0.641 282 V HN 0.213 nan 8.190 nan 0.000 0.445 283 F N -0.613 119.301 119.950 -0.061 0.000 2.569 283 F HA 0.061 4.588 4.527 -0.000 0.000 0.295 283 F C 2.468 178.227 175.800 -0.068 0.000 1.115 283 F CA 0.688 58.618 58.000 -0.117 0.000 1.450 283 F CB -0.214 38.710 39.000 -0.125 0.000 1.107 283 F HN 0.006 nan 8.300 nan 0.000 0.563 284 R N 1.675 122.244 120.500 0.116 0.000 2.066 284 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 284 R C 2.147 178.474 176.300 0.044 0.000 1.131 284 R CA 1.711 57.853 56.100 0.070 0.000 0.955 284 R CB -1.107 29.229 30.300 0.060 0.000 0.851 284 R HN 0.161 nan 8.270 nan 0.000 0.432 285 A N 0.694 123.536 122.820 0.036 0.000 1.883 285 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 285 A C 2.357 179.950 177.584 0.016 0.000 1.186 285 A CA 1.767 53.823 52.037 0.031 0.000 0.624 285 A CB -0.748 18.284 19.000 0.054 0.000 0.822 285 A HN 0.368 nan 8.150 nan 0.000 0.444 286 L N -0.985 120.231 121.223 -0.013 0.000 2.093 286 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 286 L C 3.062 179.935 176.870 0.004 0.000 1.085 286 L CA 1.022 55.847 54.840 -0.026 0.000 0.755 286 L CB -0.479 41.513 42.059 -0.113 0.000 0.904 286 L HN 0.441 nan 8.230 nan 0.000 0.435 287 A N -0.325 122.507 122.820 0.021 0.000 1.930 287 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 287 A C 1.889 179.482 177.584 0.016 0.000 1.175 287 A CA 1.695 53.743 52.037 0.018 0.000 0.627 287 A CB -0.425 18.590 19.000 0.024 0.000 0.815 287 A HN 0.325 nan 8.150 nan 0.000 0.443 288 D N 0.335 120.746 120.400 0.019 0.000 2.144 288 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 288 D C 1.900 178.210 176.300 0.016 0.000 0.984 288 D CA 1.496 55.506 54.000 0.016 0.000 0.834 288 D CB -0.321 40.489 40.800 0.017 0.000 0.955 288 D HN 0.435 nan 8.370 nan 0.000 0.465 289 A N 0.384 123.215 122.820 0.018 0.000 2.238 289 A HA -0.035 4.285 4.320 -0.000 0.000 0.208 289 A C 0.424 178.021 177.584 0.022 0.000 1.177 289 A CA 0.317 52.366 52.037 0.020 0.000 0.804 289 A CB -0.095 18.920 19.000 0.025 0.000 0.823 289 A HN 0.055 nan 8.150 nan 0.000 0.482 290 E N -0.926 119.285 120.200 0.019 0.000 2.791 290 E HA -0.181 4.169 4.350 -0.000 0.000 0.271 290 E C -0.389 176.227 176.600 0.027 0.000 1.044 290 E CA 0.609 57.020 56.400 0.019 0.000 0.814 290 E CB -2.076 27.635 29.700 0.019 0.000 1.400 290 E HN 0.524 nan 8.360 nan 0.000 0.423 291 I N 2.379 122.967 120.570 0.030 0.000 2.483 291 I HA 0.022 4.192 4.170 -0.000 0.000 0.291 291 I C 1.195 177.336 176.117 0.040 0.000 1.112 291 I CA -0.144 61.185 61.300 0.048 0.000 1.350 291 I CB -0.317 37.717 38.000 0.055 0.000 1.419 291 I HN -0.050 nan 8.210 nan 0.000 0.523 292 N N 8.103 126.834 118.700 0.053 0.000 2.395 292 N HA 0.188 4.928 4.740 -0.000 0.000 0.246 292 N C -0.127 175.426 175.510 0.072 0.000 1.246 292 N CA 0.371 53.449 53.050 0.047 0.000 0.879 292 N CB 1.423 39.940 38.487 0.051 0.000 1.098 292 N HN 0.509 nan 8.380 nan 0.000 0.444 293 I N -1.656 118.942 120.570 0.046 0.000 2.512 293 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 293 I C 0.418 176.571 176.117 0.060 0.000 1.069 293 I CA -0.836 60.513 61.300 0.083 0.000 1.056 293 I CB 1.973 39.970 38.000 -0.006 0.000 1.229 293 I HN 0.259 nan 8.210 nan 0.000 0.429 294 D N 6.458 126.921 120.400 0.104 0.000 2.084 294 D HA 0.043 4.683 4.640 -0.000 0.000 0.199 294 D C 0.457 176.781 176.300 0.040 0.000 0.981 294 D CA 1.956 55.993 54.000 0.061 0.000 0.841 294 D CB 0.319 41.160 40.800 0.067 0.000 0.997 294 D HN 0.709 nan 8.370 nan 0.000 0.454 295 M N -1.461 118.184 119.600 0.074 0.000 2.569 295 M HA 0.543 5.023 4.480 -0.000 0.000 0.279 295 M C -1.602 174.759 176.300 0.102 0.000 1.253 295 M CA -1.078 54.249 55.300 0.044 0.000 0.867 295 M CB 2.867 35.481 32.600 0.024 0.000 1.727 295 M HN -0.289 nan 8.290 nan 0.000 0.467 296 V N 2.533 122.475 119.914 0.047 0.000 2.555 296 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 296 V C -0.770 175.368 176.094 0.072 0.000 1.038 296 V CA -0.715 61.648 62.300 0.105 0.000 0.887 296 V CB 1.960 33.770 31.823 -0.022 0.000 0.991 296 V HN 0.672 nan 8.190 nan 0.000 0.434 297 L N 4.370 125.655 121.223 0.104 0.000 2.381 297 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 297 L C -0.486 176.425 176.870 0.069 0.000 0.988 297 L CA -0.054 54.821 54.840 0.058 0.000 0.824 297 L CB 1.594 43.675 42.059 0.035 0.000 1.263 297 L HN 0.845 nan 8.230 nan 0.000 0.410 298 Q N 3.065 122.894 119.800 0.049 0.000 2.289 298 Q HA 0.381 4.721 4.340 -0.000 0.000 0.270 298 Q C -1.486 174.529 176.000 0.026 0.000 1.038 298 Q CA -0.507 55.322 55.803 0.045 0.000 0.812 298 Q CB 2.876 31.652 28.738 0.063 0.000 1.300 298 Q HN 0.642 nan 8.270 nan 0.000 0.427 299 N N 0.961 119.673 118.700 0.019 0.000 2.671 299 N HA 0.448 5.188 4.740 -0.000 0.000 0.303 299 N C -0.702 174.817 175.510 0.015 0.000 1.277 299 N CA -0.312 52.746 53.050 0.013 0.000 0.933 299 N CB 1.543 40.034 38.487 0.008 0.000 1.190 299 N HN 0.455 nan 8.380 nan 0.000 0.600 300 V N -0.167 119.754 119.914 0.012 0.000 2.843 300 V HA 0.353 4.473 4.120 -0.000 0.000 0.305 300 V C 0.712 176.815 176.094 0.015 0.000 1.065 300 V CA -0.800 61.508 62.300 0.014 0.000 1.116 300 V CB 0.024 31.854 31.823 0.010 0.000 0.968 300 V HN 0.682 nan 8.190 nan 0.000 0.487 301 S N 3.281 118.992 115.700 0.018 0.000 2.614 301 S HA 0.454 4.924 4.470 -0.000 0.000 0.265 301 S C 0.381 174.991 174.600 0.017 0.000 1.303 301 S CA -0.070 58.142 58.200 0.020 0.000 1.000 301 S CB 0.841 64.055 63.200 0.024 0.000 0.935 301 S HN 1.757 nan 8.310 nan 0.000 0.551 302 S N 0.179 115.889 115.700 0.018 0.000 2.592 302 S HA 0.526 4.996 4.470 -0.000 0.000 0.271 302 S C 1.613 176.222 174.600 0.015 0.000 1.326 302 S CA -0.492 57.718 58.200 0.015 0.000 1.024 302 S CB 0.311 63.520 63.200 0.016 0.000 0.921 302 S HN 1.348 nan 8.310 nan 0.000 0.527 303 V N 1.146 121.068 119.914 0.013 0.000 2.214 303 V HA 0.059 4.179 4.120 -0.000 0.000 0.245 303 V C 1.661 177.763 176.094 0.013 0.000 1.047 303 V CA 2.400 64.707 62.300 0.012 0.000 0.998 303 V CB -2.139 29.689 31.823 0.010 0.000 0.633 303 V HN 1.214 nan 8.190 nan 0.000 0.446 304 E N 0.011 120.219 120.200 0.012 0.000 2.410 304 E HA 0.307 4.657 4.350 -0.000 0.000 0.255 304 E C 0.968 177.578 176.600 0.016 0.000 1.194 304 E CA 0.416 56.824 56.400 0.013 0.000 0.955 304 E CB -0.234 29.473 29.700 0.012 0.000 0.988 304 E HN 0.796 nan 8.360 nan 0.000 0.461 305 D N -1.084 119.326 120.400 0.017 0.000 3.737 305 D HA -0.246 4.394 4.640 -0.000 0.000 0.202 305 D C 1.267 177.581 176.300 0.024 0.000 1.425 305 D CA 3.977 57.990 54.000 0.022 0.000 2.310 305 D CB -1.525 39.290 40.800 0.025 0.000 1.268 305 D HN 1.970 nan 8.370 nan 0.000 0.410 306 G N 0.799 109.613 108.800 0.023 0.000 2.221 306 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.265 306 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.265 306 G C 0.231 175.150 174.900 0.032 0.000 1.041 306 G CA 1.781 46.896 45.100 0.025 0.000 0.807 306 G HN 1.244 nan 8.290 nan 0.000 0.502 307 T N -3.105 111.469 114.554 0.034 0.000 2.907 307 T HA 0.819 5.169 4.350 -0.000 0.000 0.292 307 T C -0.257 174.464 174.700 0.035 0.000 1.043 307 T CA 0.200 62.325 62.100 0.043 0.000 1.003 307 T CB 3.092 71.991 68.868 0.051 0.000 1.084 307 T HN 0.760 nan 8.240 nan 0.000 0.483 308 T N -0.064 114.512 114.554 0.036 0.000 2.693 308 T HA 0.577 4.927 4.350 -0.000 0.000 0.278 308 T C -1.735 172.975 174.700 0.016 0.000 0.994 308 T CA -0.674 61.441 62.100 0.025 0.000 1.033 308 T CB 1.483 70.367 68.868 0.026 0.000 1.342 308 T HN 0.752 nan 8.240 nan 0.000 0.538 309 D N 1.030 121.434 120.400 0.005 0.000 2.575 309 D HA 0.511 5.151 4.640 -0.000 0.000 0.236 309 D C -0.774 175.520 176.300 -0.010 0.000 1.075 309 D CA -0.257 53.732 54.000 -0.017 0.000 0.860 309 D CB 1.916 42.705 40.800 -0.019 0.000 1.475 309 D HN 0.445 nan 8.370 nan 0.000 0.474 310 I N 1.026 121.574 120.570 -0.036 0.000 2.436 310 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 310 I C -0.172 175.970 176.117 0.042 0.000 1.010 310 I CA -0.368 60.947 61.300 0.025 0.000 1.098 310 I CB 2.039 40.049 38.000 0.016 0.000 1.266 310 I HN 0.026 nan 8.210 nan 0.000 0.434 311 T N 6.446 121.054 114.554 0.090 0.000 2.856 311 T HA 0.710 5.060 4.350 -0.000 0.000 0.283 311 T C -0.729 174.091 174.700 0.200 0.000 1.008 311 T CA -0.406 61.721 62.100 0.044 0.000 0.997 311 T CB 1.278 70.134 68.868 -0.021 0.000 0.992 311 T HN 0.413 nan 8.240 nan 0.000 0.454 312 F N -0.501 119.485 119.950 0.059 0.000 2.613 312 F HA 0.775 5.302 4.527 -0.000 0.000 0.310 312 F C -0.066 175.765 175.800 0.052 0.000 1.085 312 F CA -1.210 56.841 58.000 0.085 0.000 0.945 312 F CB 0.850 39.964 39.000 0.190 0.000 1.298 312 F HN 0.529 nan 8.300 nan 0.000 0.455 313 T N -0.169 114.466 114.554 0.135 0.000 2.929 313 T HA 0.743 5.093 4.350 -0.000 0.000 0.284 313 T C -0.334 174.501 174.700 0.225 0.000 1.014 313 T CA -0.472 61.663 62.100 0.058 0.000 1.051 313 T CB 1.300 70.188 68.868 0.033 0.000 1.028 313 T HN 1.502 nan 8.240 nan 0.000 0.485 314 C N -0.510 118.887 119.300 0.161 0.000 3.311 314 C HA 0.782 5.242 4.460 -0.000 0.000 0.325 314 C C -3.175 171.888 174.990 0.121 0.000 1.352 314 C CA -2.331 56.806 59.018 0.199 0.000 1.308 314 C CB 0.695 28.633 27.740 0.331 0.000 1.619 314 C HN 0.661 nan 8.230 nan 0.000 0.469 315 P HA 0.172 nan 4.420 nan 0.000 0.265 315 P C 0.652 178.007 177.300 0.092 0.000 1.187 315 P CA 0.400 63.548 63.100 0.078 0.000 0.766 315 P CB 0.414 32.156 31.700 0.069 0.000 0.820 316 R N 1.495 122.039 120.500 0.074 0.000 2.159 316 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 316 R C 2.027 178.391 176.300 0.108 0.000 1.131 316 R CA 1.939 58.096 56.100 0.094 0.000 0.982 316 R CB -0.583 29.753 30.300 0.061 0.000 0.868 316 R HN 0.608 nan 8.270 nan 0.000 0.453 317 S N 0.331 116.078 115.700 0.079 0.000 2.474 317 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 317 S C 1.037 175.678 174.600 0.069 0.000 0.997 317 S CA 0.981 59.221 58.200 0.066 0.000 0.949 317 S CB 0.135 63.365 63.200 0.050 0.000 0.766 317 S HN 0.176 nan 8.310 nan 0.000 0.517 318 D N 1.290 121.743 120.400 0.089 0.000 2.360 318 D HA 0.232 4.872 4.640 -0.000 0.000 0.210 318 D C 1.930 178.297 176.300 0.111 0.000 1.047 318 D CA 0.625 54.681 54.000 0.094 0.000 0.854 318 D CB -0.325 40.542 40.800 0.111 0.000 0.936 318 D HN 0.486 nan 8.370 nan 0.000 0.514 319 G N 1.430 110.317 108.800 0.145 0.000 2.545 319 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.217 319 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.217 319 G C 1.918 176.745 174.900 -0.122 0.000 1.218 319 G CA 1.932 47.154 45.100 0.203 0.000 0.787 319 G HN 0.425 nan 8.290 nan 0.000 0.571 320 R N 0.390 120.771 120.500 -0.199 0.000 2.080 320 R HA -0.063 4.277 4.340 -0.000 0.000 0.236 320 R C 2.459 178.675 176.300 -0.140 0.000 1.137 320 R CA 2.261 58.197 56.100 -0.274 0.000 0.943 320 R CB -1.178 29.028 30.300 -0.156 0.000 0.846 320 R HN 0.454 nan 8.270 nan 0.000 0.431 321 R N 0.540 121.009 120.500 -0.052 0.000 2.096 321 R HA -0.058 4.282 4.340 -0.000 0.000 0.240 321 R C 2.495 178.802 176.300 0.012 0.000 1.139 321 R CA 2.383 58.478 56.100 -0.010 0.000 0.952 321 R CB -1.053 29.257 30.300 0.016 0.000 0.854 321 R HN 0.545 nan 8.270 nan 0.000 0.436 322 A N -0.019 122.828 122.820 0.046 0.000 1.883 322 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 322 A C 2.202 179.831 177.584 0.075 0.000 1.186 322 A CA 1.988 54.093 52.037 0.114 0.000 0.624 322 A CB -0.634 18.515 19.000 0.249 0.000 0.822 322 A HN 0.468 nan 8.150 nan 0.000 0.444 323 M N -0.205 119.380 119.600 -0.024 0.000 2.117 323 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 323 M C 1.866 178.152 176.300 -0.023 0.000 1.065 323 M CA 2.313 57.577 55.300 -0.061 0.000 1.114 323 M CB -0.562 31.883 32.600 -0.258 0.000 1.361 323 M HN 0.541 nan 8.290 nan 0.000 0.408 324 E N 0.325 120.502 120.200 -0.038 0.000 2.049 324 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 324 E C 1.731 178.346 176.600 0.026 0.000 1.007 324 E CA 2.148 58.542 56.400 -0.011 0.000 0.809 324 E CB -0.521 29.168 29.700 -0.018 0.000 0.749 324 E HN 0.515 nan 8.360 nan 0.000 0.450 325 I N 0.497 121.091 120.570 0.040 0.000 2.142 325 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 325 I C 2.482 178.664 176.117 0.107 0.000 1.078 325 I CA 1.290 62.627 61.300 0.061 0.000 1.343 325 I CB -1.070 36.965 38.000 0.059 0.000 1.046 325 I HN 0.274 nan 8.210 nan 0.000 0.405 326 L N -0.158 121.146 121.223 0.135 0.000 2.217 326 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 326 L C 2.471 179.523 176.870 0.303 0.000 1.107 326 L CA 0.682 55.667 54.840 0.242 0.000 0.783 326 L CB -0.561 41.583 42.059 0.142 0.000 0.919 326 L HN 0.166 nan 8.230 nan 0.000 0.442 327 K N 0.821 121.323 120.400 0.170 0.000 2.148 327 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 327 K C 2.004 178.665 176.600 0.102 0.000 1.050 327 K CA 1.037 57.409 56.287 0.142 0.000 0.942 327 K CB 0.028 32.571 32.500 0.072 0.000 0.724 327 K HN 0.347 nan 8.250 nan 0.000 0.446 328 K N 0.386 120.831 120.400 0.075 0.000 2.057 328 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 328 K C 1.873 178.467 176.600 -0.011 0.000 1.049 328 K CA 0.910 57.213 56.287 0.027 0.000 0.931 328 K CB -0.074 32.438 32.500 0.020 0.000 0.714 328 K HN -0.048 nan 8.250 nan 0.000 0.440 329 L N 1.537 122.768 121.223 0.015 0.000 2.291 329 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 329 L C 2.420 179.020 176.870 -0.450 0.000 1.120 329 L CA 1.439 56.177 54.840 -0.170 0.000 0.799 329 L CB -0.859 41.166 42.059 -0.057 0.000 0.925 329 L HN 0.249 nan 8.230 nan 0.000 0.446 330 Q N -0.283 119.425 119.800 -0.154 0.000 2.016 330 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 330 Q C 2.099 178.001 176.000 -0.162 0.000 0.978 330 Q CA 1.824 57.519 55.803 -0.180 0.000 0.833 330 Q CB 0.104 28.960 28.738 0.197 0.000 0.895 330 Q HN 0.338 nan 8.270 nan 0.000 0.427 331 V N 1.054 120.920 119.914 -0.081 0.000 2.626 331 V HA -0.245 3.875 4.120 -0.000 0.000 0.252 331 V C 2.674 178.705 176.094 -0.105 0.000 1.067 331 V CA 2.040 64.299 62.300 -0.068 0.000 1.081 331 V CB -1.368 30.435 31.823 -0.033 0.000 0.686 331 V HN 0.582 nan 8.190 nan 0.000 0.468 332 Q N 0.153 119.862 119.800 -0.151 0.000 2.291 332 Q HA 0.113 4.453 4.340 -0.000 0.000 0.206 332 Q C 1.845 177.724 176.000 -0.201 0.000 0.976 332 Q CA 1.971 57.672 55.803 -0.170 0.000 0.875 332 Q CB -0.800 27.818 28.738 -0.200 0.000 0.927 332 Q HN 1.424 nan 8.270 nan 0.000 0.450 333 G N 0.397 109.046 108.800 -0.251 0.000 2.215 333 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.198 333 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.198 333 G C 0.064 174.818 174.900 -0.243 0.000 1.047 333 G CA 0.557 45.536 45.100 -0.200 0.000 0.747 333 G HN 1.223 nan 8.290 nan 0.000 0.495 334 N N -1.448 116.989 118.700 -0.438 0.000 2.305 334 N HA 0.511 5.251 4.740 -0.000 0.000 0.248 334 N C 0.089 175.415 175.510 -0.306 0.000 1.290 334 N CA -0.318 52.495 53.050 -0.395 0.000 0.873 334 N CB 0.487 38.712 38.487 -0.437 0.000 1.261 334 N HN 0.805 nan 8.380 nan 0.000 0.504 335 W N -2.949 118.346 121.300 -0.008 0.000 2.989 335 W HA 0.509 5.169 4.660 -0.000 0.000 0.344 335 W C 0.170 176.687 176.519 -0.003 0.000 1.233 335 W CA -0.976 56.366 57.345 -0.006 0.000 1.187 335 W CB 0.531 29.986 29.460 -0.008 0.000 1.443 335 W HN -0.346 nan 8.180 nan 0.000 0.573 336 T N 0.561 115.291 114.554 0.293 0.000 2.851 336 T HA 0.047 4.397 4.350 -0.000 0.000 0.262 336 T C 0.063 174.859 174.700 0.161 0.000 1.043 336 T CA 1.367 63.564 62.100 0.163 0.000 1.140 336 T CB -0.304 68.627 68.868 0.105 0.000 0.872 336 T HN 0.442 nan 8.240 nan 0.000 0.446 337 N N -0.771 118.036 118.700 0.178 0.000 2.927 337 N HA 0.436 5.176 4.740 -0.000 0.000 0.248 337 N C -2.253 173.303 175.510 0.076 0.000 1.443 337 N CA -0.507 52.617 53.050 0.123 0.000 0.870 337 N CB 2.097 40.622 38.487 0.064 0.000 1.444 337 N HN -0.178 nan 8.380 nan 0.000 0.519 338 V N 2.447 122.396 119.914 0.058 0.000 2.524 338 V HA 0.441 4.561 4.120 -0.000 0.000 0.297 338 V C -0.384 175.721 176.094 0.017 0.000 1.035 338 V CA -0.640 61.663 62.300 0.004 0.000 0.867 338 V CB 1.328 33.175 31.823 0.039 0.000 1.004 338 V HN 0.454 nan 8.190 nan 0.000 0.426 339 L N 4.389 125.607 121.223 -0.009 0.000 2.334 339 L HA 0.649 4.989 4.340 -0.000 0.000 0.275 339 L C -0.962 175.941 176.870 0.055 0.000 1.036 339 L CA -0.780 54.069 54.840 0.015 0.000 0.807 339 L CB 1.428 43.474 42.059 -0.022 0.000 1.231 339 L HN 0.617 nan 8.230 nan 0.000 0.438 340 Y N 1.468 121.725 120.300 -0.073 0.000 2.462 340 Y HA 0.511 5.061 4.550 -0.000 0.000 0.346 340 Y C -1.340 174.520 175.900 -0.067 0.000 0.976 340 Y CA -1.173 56.879 58.100 -0.080 0.000 1.044 340 Y CB 1.920 40.349 38.460 -0.050 0.000 1.230 340 Y HN 0.573 nan 8.280 nan 0.000 0.455 341 D N 3.911 123.864 120.400 -0.745 0.000 2.470 341 D HA 0.179 4.819 4.640 -0.000 0.000 0.233 341 D C -1.313 174.598 176.300 -0.649 0.000 1.372 341 D CA -0.503 53.164 54.000 -0.555 0.000 0.994 341 D CB 0.817 41.451 40.800 -0.277 0.000 1.377 341 D HN 0.636 nan 8.370 nan 0.000 0.586 342 D N 2.109 122.147 120.400 -0.602 0.000 2.525 342 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 342 D C 0.145 176.341 176.300 -0.173 0.000 1.202 342 D CA -0.025 53.754 54.000 -0.369 0.000 0.828 342 D CB 0.180 40.827 40.800 -0.255 0.000 1.008 342 D HN 0.416 nan 8.370 nan 0.000 0.493 343 Q N 0.293 119.997 119.800 -0.159 0.000 2.129 343 Q HA 0.251 4.591 4.340 -0.000 0.000 0.274 343 Q C -0.596 175.355 176.000 -0.082 0.000 0.854 343 Q CA -0.277 55.471 55.803 -0.092 0.000 1.123 343 Q CB 2.103 30.797 28.738 -0.072 0.000 1.226 343 Q HN 0.132 nan 8.270 nan 0.000 0.454 344 V N 0.018 119.875 119.914 -0.095 0.000 2.617 344 V HA 0.837 4.957 4.120 -0.000 0.000 0.298 344 V C -0.119 175.947 176.094 -0.046 0.000 1.048 344 V CA -0.224 62.033 62.300 -0.072 0.000 0.964 344 V CB 1.614 33.383 31.823 -0.090 0.000 1.004 344 V HN 0.340 nan 8.190 nan 0.000 0.466 345 G N 4.142 112.926 108.800 -0.027 0.000 2.571 345 G HA2 0.512 4.472 3.960 -0.000 0.000 0.304 345 G HA3 0.512 4.472 3.960 -0.000 0.000 0.304 345 G C -1.487 173.415 174.900 0.003 0.000 1.314 345 G CA -0.694 44.399 45.100 -0.012 0.000 0.975 345 G HN 0.739 nan 8.290 nan 0.000 0.485 346 K N 1.106 121.513 120.400 0.012 0.000 2.206 346 K HA 0.626 4.946 4.320 -0.000 0.000 0.264 346 K C -0.733 175.895 176.600 0.048 0.000 0.967 346 K CA -0.480 55.824 56.287 0.029 0.000 0.844 346 K CB 1.672 34.185 32.500 0.022 0.000 1.099 346 K HN 0.280 nan 8.250 nan 0.000 0.441 347 V N 1.578 121.543 119.914 0.084 0.000 2.628 347 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 347 V C -0.545 175.660 176.094 0.185 0.000 1.045 347 V CA -0.867 61.503 62.300 0.117 0.000 0.905 347 V CB 1.706 33.601 31.823 0.120 0.000 0.997 347 V HN 0.794 nan 8.190 nan 0.000 0.436 348 S N 3.328 119.131 115.700 0.171 0.000 2.564 348 S HA 0.779 5.249 4.470 -0.000 0.000 0.274 348 S C -1.162 173.553 174.600 0.192 0.000 1.124 348 S CA -0.541 57.761 58.200 0.170 0.000 0.869 348 S CB 2.105 65.343 63.200 0.063 0.000 1.105 348 S HN 0.705 nan 8.310 nan 0.000 0.472 349 L N 2.650 123.989 121.223 0.193 0.000 2.341 349 L HA 0.806 5.146 4.340 -0.000 0.000 0.278 349 L C -1.372 175.477 176.870 -0.035 0.000 1.005 349 L CA -0.360 54.529 54.840 0.082 0.000 0.818 349 L CB 1.427 43.548 42.059 0.105 0.000 1.259 349 L HN 0.512 nan 8.230 nan 0.000 0.418 350 V N 3.725 123.606 119.914 -0.056 0.000 2.680 350 V HA 1.001 5.121 4.120 -0.000 0.000 0.309 350 V C 0.114 176.151 176.094 -0.095 0.000 1.052 350 V CA -0.159 62.101 62.300 -0.066 0.000 0.908 350 V CB 1.538 33.341 31.823 -0.034 0.000 1.001 350 V HN 0.982 nan 8.190 nan 0.000 0.431 351 G N 1.869 110.610 108.800 -0.097 0.000 2.318 351 G HA2 0.542 4.502 3.960 -0.000 0.000 0.306 351 G HA3 0.542 4.502 3.960 -0.000 0.000 0.306 351 G C 0.166 175.009 174.900 -0.095 0.000 1.696 351 G CA 0.149 45.186 45.100 -0.105 0.000 0.905 351 G HN 1.007 nan 8.290 nan 0.000 0.700 352 A N 0.800 123.574 122.820 -0.076 0.000 2.019 352 A HA 0.229 4.548 4.320 -0.000 0.000 0.219 352 A C 2.674 180.214 177.584 -0.073 0.000 1.164 352 A CA 2.786 54.788 52.037 -0.058 0.000 0.644 352 A CB -0.659 18.317 19.000 -0.041 0.000 0.805 352 A HN 1.935 nan 8.150 nan 0.000 0.449 353 G N 0.731 109.452 108.800 -0.132 0.000 2.469 353 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.220 353 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.220 353 G C 1.611 176.357 174.900 -0.256 0.000 1.136 353 G CA 1.489 46.433 45.100 -0.260 0.000 0.759 353 G HN 0.783 nan 8.290 nan 0.000 0.562 354 M N 0.105 119.619 119.600 -0.143 0.000 2.476 354 M HA 0.273 4.753 4.480 -0.000 0.000 0.262 354 M C 2.190 178.503 176.300 0.021 0.000 1.079 354 M CA 1.832 57.098 55.300 -0.057 0.000 1.104 354 M CB -0.123 32.426 32.600 -0.085 0.000 1.409 354 M HN 0.115 nan 8.290 nan 0.000 0.467 355 K N 1.957 122.367 120.400 0.016 0.000 2.001 355 K HA -0.131 4.189 4.320 -0.000 0.000 0.223 355 K C 0.980 177.628 176.600 0.080 0.000 1.055 355 K CA 2.653 58.962 56.287 0.037 0.000 0.965 355 K CB -0.590 31.928 32.500 0.030 0.000 0.730 355 K HN 0.419 nan 8.250 nan 0.000 0.449 356 S N -0.498 115.302 115.700 0.167 0.000 2.574 356 S HA 0.168 4.638 4.470 -0.000 0.000 0.242 356 S C -1.085 173.568 174.600 0.088 0.000 0.982 356 S CA -0.516 57.755 58.200 0.119 0.000 0.977 356 S CB 0.060 63.303 63.200 0.071 0.000 0.814 356 S HN 0.341 nan 8.310 nan 0.000 0.464 357 H N 1.871 120.944 119.070 0.005 0.000 2.762 357 H HA 0.429 4.985 4.556 0.000 0.000 0.310 357 H C -2.704 172.639 175.328 0.024 0.000 1.004 357 H CA -1.923 54.135 56.048 0.017 0.000 1.267 357 H CB 0.491 30.268 29.762 0.026 0.000 1.437 357 H HN 0.074 nan 8.280 nan 0.000 0.498 358 P HA 0.145 nan 4.420 nan 0.000 0.269 358 P C 1.048 178.405 177.300 0.096 0.000 1.209 358 P CA 0.679 63.818 63.100 0.066 0.000 0.776 358 P CB 0.781 32.498 31.700 0.028 0.000 0.876 359 G N 0.323 109.176 108.800 0.089 0.000 2.179 359 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 359 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 359 G C 0.939 175.935 174.900 0.160 0.000 0.977 359 G CA 0.248 45.411 45.100 0.104 0.000 0.641 359 G HN 0.392 nan 8.290 nan 0.000 0.533 360 V N 0.812 120.833 119.914 0.179 0.000 2.295 360 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 360 V C 2.939 179.208 176.094 0.290 0.000 1.049 360 V CA 3.047 65.500 62.300 0.256 0.000 1.024 360 V CB -1.006 30.891 31.823 0.123 0.000 0.648 360 V HN 0.515 nan 8.190 nan 0.000 0.447 361 T N 0.438 115.088 114.554 0.160 0.000 2.746 361 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 361 T C 2.095 176.919 174.700 0.208 0.000 1.039 361 T CA 1.566 63.748 62.100 0.137 0.000 1.142 361 T CB -0.460 68.425 68.868 0.029 0.000 0.866 361 T HN 0.571 nan 8.240 nan 0.000 0.444 362 A N 1.757 124.671 122.820 0.156 0.000 1.865 362 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 362 A C 2.224 179.893 177.584 0.143 0.000 1.191 362 A CA 1.850 53.962 52.037 0.126 0.000 0.623 362 A CB -0.680 18.371 19.000 0.085 0.000 0.826 362 A HN 0.562 nan 8.150 nan 0.000 0.444 363 E N -1.600 118.698 120.200 0.162 0.000 2.118 363 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 363 E C 1.766 178.446 176.600 0.134 0.000 0.992 363 E CA 1.224 57.659 56.400 0.058 0.000 0.804 363 E CB -0.260 29.394 29.700 -0.078 0.000 0.741 363 E HN 0.712 nan 8.360 nan 0.000 0.458 364 F N 1.017 121.130 119.950 0.271 0.000 2.046 364 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 364 F C 2.258 178.129 175.800 0.118 0.000 1.123 364 F CA 1.354 59.518 58.000 0.274 0.000 1.199 364 F CB 0.020 39.159 39.000 0.231 0.000 0.972 364 F HN -0.023 nan 8.300 nan 0.000 0.474 365 M N 0.269 120.130 119.600 0.435 0.000 2.159 365 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 365 M C 1.980 178.344 176.300 0.107 0.000 1.063 365 M CA 1.495 56.952 55.300 0.262 0.000 1.110 365 M CB -1.505 31.209 32.600 0.189 0.000 1.374 365 M HN 0.289 nan 8.290 nan 0.000 0.411 366 E N 0.383 120.626 120.200 0.071 0.000 2.077 366 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 366 E C 2.157 178.733 176.600 -0.039 0.000 0.989 366 E CA 1.265 57.670 56.400 0.007 0.000 0.800 366 E CB -0.145 29.548 29.700 -0.011 0.000 0.746 366 E HN 0.517 nan 8.360 nan 0.000 0.452 367 A N 1.188 123.960 122.820 -0.080 0.000 1.908 367 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 367 A C 2.166 179.682 177.584 -0.113 0.000 1.181 367 A CA 1.186 53.142 52.037 -0.136 0.000 0.627 367 A CB -0.600 18.274 19.000 -0.209 0.000 0.818 367 A HN 0.147 nan 8.150 nan 0.000 0.445 368 L N -1.360 119.798 121.223 -0.109 0.000 2.179 368 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 368 L C 2.747 179.599 176.870 -0.030 0.000 1.096 368 L CA 1.293 56.089 54.840 -0.073 0.000 0.779 368 L CB -0.591 41.437 42.059 -0.052 0.000 0.922 368 L HN 0.507 nan 8.230 nan 0.000 0.443 369 R N 0.860 121.352 120.500 -0.013 0.000 2.080 369 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 369 R C 1.547 177.837 176.300 -0.017 0.000 1.137 369 R CA 2.160 58.256 56.100 -0.006 0.000 0.943 369 R CB -0.185 30.117 30.300 0.003 0.000 0.846 369 R HN 0.291 nan 8.270 nan 0.000 0.431 370 D N 0.265 120.648 120.400 -0.028 0.000 2.378 370 D HA -0.080 4.560 4.640 -0.000 0.000 0.222 370 D C 1.178 177.459 176.300 -0.031 0.000 0.980 370 D CA 0.969 54.951 54.000 -0.031 0.000 0.907 370 D CB 0.340 41.115 40.800 -0.042 0.000 0.899 370 D HN 0.323 nan 8.370 nan 0.000 0.527 371 V N -2.439 117.455 119.914 -0.033 0.000 3.006 371 V HA 0.259 4.379 4.120 -0.000 0.000 0.357 371 V C 0.187 176.268 176.094 -0.022 0.000 1.377 371 V CA -0.663 61.620 62.300 -0.029 0.000 1.198 371 V CB -0.444 31.358 31.823 -0.036 0.000 1.216 371 V HN -0.085 nan 8.190 nan 0.000 0.520 372 N N -0.023 118.667 118.700 -0.017 0.000 2.696 372 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 372 N C 0.043 175.549 175.510 -0.008 0.000 1.090 372 N CA 1.174 54.218 53.050 -0.010 0.000 0.716 372 N CB -1.192 37.289 38.487 -0.010 0.000 1.020 372 N HN 0.593 nan 8.380 nan 0.000 0.548 373 V N 0.839 120.747 119.914 -0.009 0.000 2.439 373 V HA 0.235 4.355 4.120 -0.000 0.000 0.282 373 V C 0.800 176.899 176.094 0.009 0.000 1.039 373 V CA -0.795 61.503 62.300 -0.004 0.000 0.913 373 V CB 1.994 33.811 31.823 -0.011 0.000 0.983 373 V HN 0.225 nan 8.190 nan 0.000 0.460 374 N N 3.579 122.286 118.700 0.012 0.000 2.430 374 N HA 0.500 5.240 4.740 -0.000 0.000 0.292 374 N C -1.112 174.417 175.510 0.031 0.000 1.051 374 N CA -0.680 52.382 53.050 0.020 0.000 0.917 374 N CB 1.324 39.817 38.487 0.011 0.000 1.164 374 N HN 0.554 nan 8.380 nan 0.000 0.484 375 I N 3.053 123.650 120.570 0.045 0.000 2.297 375 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 375 I C 1.141 177.278 176.117 0.034 0.000 1.033 375 I CA -0.189 61.147 61.300 0.059 0.000 1.253 375 I CB 1.346 39.402 38.000 0.093 0.000 1.396 375 I HN 0.602 nan 8.210 nan 0.000 0.476 376 E N 4.679 124.893 120.200 0.022 0.000 2.060 376 E HA 0.086 4.436 4.350 -0.000 0.000 0.189 376 E C -0.403 176.198 176.600 0.002 0.000 0.974 376 E CA 0.920 57.323 56.400 0.005 0.000 0.808 376 E CB 0.293 29.989 29.700 -0.008 0.000 0.768 376 E HN 0.347 nan 8.360 nan 0.000 0.453 377 L N 0.353 121.579 121.223 0.004 0.000 2.388 377 L HA 0.447 4.787 4.340 -0.000 0.000 0.264 377 L C -0.801 176.068 176.870 -0.001 0.000 0.998 377 L CA -0.386 54.453 54.840 -0.002 0.000 0.817 377 L CB 2.130 44.183 42.059 -0.011 0.000 1.338 377 L HN -0.055 nan 8.230 nan 0.000 0.414 378 I N 0.993 121.553 120.570 -0.016 0.000 2.569 378 I HA 0.762 4.932 4.170 -0.000 0.000 0.296 378 I C -0.435 175.653 176.117 -0.049 0.000 1.028 378 I CA -0.404 60.870 61.300 -0.043 0.000 1.082 378 I CB 2.161 40.129 38.000 -0.054 0.000 1.264 378 I HN 0.678 nan 8.210 nan 0.000 0.429 379 S N 3.106 118.764 115.700 -0.070 0.000 2.556 379 S HA 0.853 5.323 4.470 -0.000 0.000 0.271 379 S C -0.666 173.882 174.600 -0.088 0.000 1.135 379 S CA -0.515 57.648 58.200 -0.061 0.000 0.858 379 S CB 2.248 65.426 63.200 -0.037 0.000 1.114 379 S HN 0.784 nan 8.310 nan 0.000 0.468 380 T N -1.102 113.406 114.554 -0.076 0.000 2.841 380 T HA 0.888 5.238 4.350 -0.000 0.000 0.296 380 T C -0.179 174.482 174.700 -0.065 0.000 1.166 380 T CA -0.154 61.894 62.100 -0.088 0.000 1.007 380 T CB 1.207 70.019 68.868 -0.095 0.000 1.253 380 T HN 1.749 nan 8.240 nan 0.000 0.511 381 S N -0.823 114.838 115.700 -0.065 0.000 2.811 381 S HA 0.469 4.939 4.470 -0.000 0.000 0.311 381 S C 0.926 175.495 174.600 -0.050 0.000 1.152 381 S CA -0.440 57.730 58.200 -0.051 0.000 0.864 381 S CB 1.419 64.592 63.200 -0.045 0.000 1.226 381 S HN 0.959 nan 8.310 nan 0.000 0.541 382 E N -0.094 120.083 120.200 -0.039 0.000 2.171 382 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 382 E C 1.088 177.665 176.600 -0.037 0.000 0.997 382 E CA 1.833 58.213 56.400 -0.032 0.000 0.810 382 E CB -0.325 29.361 29.700 -0.023 0.000 0.738 382 E HN 0.692 nan 8.360 nan 0.000 0.467 383 I N -2.611 117.932 120.570 -0.045 0.000 3.491 383 I HA 0.406 4.576 4.170 -0.000 0.000 0.332 383 I C -0.312 175.764 176.117 -0.069 0.000 1.565 383 I CA -0.646 60.621 61.300 -0.054 0.000 1.050 383 I CB 0.818 38.792 38.000 -0.043 0.000 1.348 383 I HN -0.195 nan 8.210 nan 0.000 0.506 384 R N 2.327 122.780 120.500 -0.080 0.000 2.523 384 R HA 0.469 4.809 4.340 -0.000 0.000 0.278 384 R C -1.910 174.311 176.300 -0.132 0.000 1.150 384 R CA -0.515 55.530 56.100 -0.091 0.000 0.987 384 R CB 2.426 32.687 30.300 -0.064 0.000 1.232 384 R HN 0.164 nan 8.270 nan 0.000 0.424 385 I N 2.368 122.822 120.570 -0.193 0.000 2.392 385 I HA 0.399 4.569 4.170 -0.000 0.000 0.295 385 I C 0.030 175.979 176.117 -0.280 0.000 0.985 385 I CA -0.536 60.557 61.300 -0.344 0.000 1.221 385 I CB 1.767 39.335 38.000 -0.721 0.000 1.366 385 I HN 0.431 nan 8.210 nan 0.000 0.467 386 S N 4.932 120.494 115.700 -0.230 0.000 2.614 386 S HA 0.683 5.153 4.470 -0.000 0.000 0.288 386 S C -0.435 174.122 174.600 -0.071 0.000 1.137 386 S CA -0.652 57.493 58.200 -0.092 0.000 0.992 386 S CB 2.403 65.576 63.200 -0.045 0.000 1.026 386 S HN 0.448 nan 8.310 nan 0.000 0.486 387 V N 1.637 121.577 119.914 0.042 0.000 2.680 387 V HA 0.687 4.807 4.120 -0.000 0.000 0.309 387 V C -0.765 175.372 176.094 0.071 0.000 1.052 387 V CA -0.982 61.361 62.300 0.073 0.000 0.908 387 V CB 1.339 33.279 31.823 0.195 0.000 1.001 387 V HN 0.758 nan 8.190 nan 0.000 0.431 388 L N 5.380 126.626 121.223 0.037 0.000 2.307 388 L HA 0.723 5.063 4.340 -0.000 0.000 0.282 388 L C -0.076 176.807 176.870 0.021 0.000 1.051 388 L CA -0.427 54.424 54.840 0.019 0.000 0.804 388 L CB 1.427 43.482 42.059 -0.006 0.000 1.197 388 L HN 0.852 nan 8.230 nan 0.000 0.431 389 I N -0.818 119.761 120.570 0.014 0.000 3.354 389 I HA 0.555 4.725 4.170 -0.000 0.000 0.316 389 I C -0.635 175.476 176.117 -0.009 0.000 1.182 389 I CA -1.391 59.914 61.300 0.009 0.000 0.942 389 I CB 1.683 39.697 38.000 0.023 0.000 1.299 389 I HN 0.351 nan 8.210 nan 0.000 0.473 390 R N 2.169 122.662 120.500 -0.012 0.000 2.522 390 R HA 0.044 4.384 4.340 -0.000 0.000 0.284 390 R C 1.076 177.366 176.300 -0.017 0.000 1.032 390 R CA 0.322 56.410 56.100 -0.020 0.000 1.049 390 R CB 0.238 30.527 30.300 -0.018 0.000 0.956 390 R HN 0.880 nan 8.270 nan 0.000 0.422 391 E N 1.439 121.625 120.200 -0.023 0.000 2.267 391 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 391 E C -0.095 176.496 176.600 -0.015 0.000 0.998 391 E CA 1.263 57.652 56.400 -0.019 0.000 0.830 391 E CB 0.092 29.778 29.700 -0.024 0.000 0.751 391 E HN 0.402 nan 8.360 nan 0.000 0.491 392 D N 1.195 121.585 120.400 -0.016 0.000 2.312 392 D HA -0.084 4.556 4.640 -0.000 0.000 0.211 392 D C 0.844 177.136 176.300 -0.013 0.000 0.964 392 D CA 0.750 54.742 54.000 -0.014 0.000 0.877 392 D CB -0.050 40.742 40.800 -0.014 0.000 0.924 392 D HN 0.255 nan 8.370 nan 0.000 0.515 393 D N -0.301 120.092 120.400 -0.012 0.000 2.350 393 D HA 0.042 4.682 4.640 -0.000 0.000 0.213 393 D C 2.233 178.527 176.300 -0.010 0.000 1.031 393 D CA -0.137 53.857 54.000 -0.011 0.000 0.861 393 D CB 0.300 41.095 40.800 -0.008 0.000 0.926 393 D HN 0.221 nan 8.370 nan 0.000 0.520 394 L N 0.912 122.130 121.223 -0.008 0.000 1.997 394 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 394 L C 1.832 178.696 176.870 -0.011 0.000 1.074 394 L CA 1.522 56.359 54.840 -0.006 0.000 0.763 394 L CB -0.125 41.931 42.059 -0.006 0.000 0.890 394 L HN -0.058 nan 8.230 nan 0.000 0.434 395 D N -0.382 120.009 120.400 -0.015 0.000 2.077 395 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 395 D C 2.171 178.459 176.300 -0.020 0.000 0.986 395 D CA 1.493 55.480 54.000 -0.020 0.000 0.829 395 D CB -0.304 40.483 40.800 -0.022 0.000 0.983 395 D HN 0.352 nan 8.370 nan 0.000 0.453 396 A N 0.900 123.709 122.820 -0.019 0.000 1.917 396 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 396 A C 2.264 179.832 177.584 -0.026 0.000 1.182 396 A CA 2.628 54.653 52.037 -0.021 0.000 0.633 396 A CB -0.853 18.136 19.000 -0.020 0.000 0.819 396 A HN 0.257 nan 8.150 nan 0.000 0.448 397 A N -0.519 122.283 122.820 -0.029 0.000 1.929 397 A HA 0.275 4.595 4.320 -0.000 0.000 0.216 397 A C 2.496 180.053 177.584 -0.045 0.000 1.176 397 A CA 1.789 53.798 52.037 -0.047 0.000 0.628 397 A CB -0.944 18.032 19.000 -0.040 0.000 0.816 397 A HN 1.037 nan 8.150 nan 0.000 0.444 398 A N 0.101 122.909 122.820 -0.019 0.000 1.877 398 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 398 A C 2.267 179.866 177.584 0.024 0.000 1.186 398 A CA 1.537 53.575 52.037 0.002 0.000 0.620 398 A CB -0.464 18.533 19.000 -0.005 0.000 0.822 398 A HN 0.542 nan 8.150 nan 0.000 0.443 399 R N -0.588 119.916 120.500 0.006 0.000 2.066 399 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 399 R C 2.555 178.883 176.300 0.048 0.000 1.131 399 R CA 1.139 57.256 56.100 0.029 0.000 0.955 399 R CB -0.573 29.727 30.300 -0.000 0.000 0.851 399 R HN 0.500 nan 8.270 nan 0.000 0.432 400 A N 1.597 124.417 122.820 -0.000 0.000 1.903 400 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 400 A C 2.209 179.775 177.584 -0.031 0.000 1.191 400 A CA 1.488 53.507 52.037 -0.030 0.000 0.638 400 A CB -0.705 18.257 19.000 -0.063 0.000 0.823 400 A HN 0.206 nan 8.150 nan 0.000 0.451 401 L N -1.811 119.400 121.223 -0.020 0.000 2.141 401 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 401 L C 2.649 179.629 176.870 0.184 0.000 1.094 401 L CA 1.310 56.178 54.840 0.046 0.000 0.763 401 L CB -0.558 41.486 42.059 -0.025 0.000 0.908 401 L HN 0.600 nan 8.230 nan 0.000 0.437 402 H N 0.022 119.126 119.070 0.057 0.000 2.428 402 H HA -0.098 4.458 4.556 0.000 0.000 0.296 402 H C 1.316 176.681 175.328 0.060 0.000 1.062 402 H CA 1.211 57.303 56.048 0.072 0.000 1.350 402 H CB 0.659 30.445 29.762 0.040 0.000 1.403 402 H HN 0.236 nan 8.280 nan 0.000 0.533 403 E N -0.144 120.097 120.200 0.068 0.000 2.481 403 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 403 E C 1.831 178.390 176.600 -0.069 0.000 1.027 403 E CA -0.046 56.352 56.400 -0.004 0.000 0.900 403 E CB 0.451 30.170 29.700 0.032 0.000 0.993 403 E HN 0.356 nan 8.360 nan 0.000 0.482 404 Q N -0.839 118.893 119.800 -0.113 0.000 2.204 404 Q HA 0.074 4.414 4.340 -0.000 0.000 0.198 404 Q C 0.541 176.295 176.000 -0.410 0.000 0.946 404 Q CA 1.179 56.806 55.803 -0.292 0.000 0.859 404 Q CB -0.032 28.450 28.738 -0.428 0.000 0.946 404 Q HN 0.270 nan 8.270 nan 0.000 0.474 405 F N 1.017 120.921 119.950 -0.076 0.000 2.645 405 F HA 0.270 4.797 4.527 -0.000 0.000 0.300 405 F C 0.025 175.756 175.800 -0.116 0.000 1.115 405 F CA -0.149 57.804 58.000 -0.077 0.000 1.355 405 F CB 0.052 39.014 39.000 -0.063 0.000 1.026 405 F HN 0.040 nan 8.300 nan 0.000 0.536 406 Q N 0.113 119.896 119.800 -0.029 0.000 2.453 406 Q HA -0.243 4.097 4.340 -0.000 0.000 0.294 406 Q C 1.066 176.996 176.000 -0.117 0.000 1.295 406 Q CA 0.189 55.951 55.803 -0.068 0.000 0.853 406 Q CB -1.802 26.915 28.738 -0.035 0.000 1.193 406 Q HN 0.582 nan 8.270 nan 0.000 0.461 407 L N -1.053 120.005 121.223 -0.275 0.000 2.395 407 L HA 0.024 4.364 4.340 -0.000 0.000 0.218 407 L C 1.551 178.254 176.870 -0.278 0.000 1.130 407 L CA 0.668 55.303 54.840 -0.342 0.000 0.826 407 L CB -0.214 41.541 42.059 -0.506 0.000 0.941 407 L HN 0.419 nan 8.230 nan 0.000 0.451 408 G N 0.000 108.653 108.800 -0.244 0.000 5.446 408 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 408 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 408 G CA 0.000 45.148 45.100 0.081 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925