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 2qyg_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTPDDIAGFY AKRADLDLDN YIELDFDFEC AGDPHEAAAH LCSEQSTAQW DATA SEQUENCE RRVGFDEDFR PRFAAKVLEL SAEPRPSGFS VPVECAARGP VHACRVTIAH DATA SEQUENCE PHGNFGAKIP NLLSAVCGEG VFFSPGIPLI RLQDIRFPEP YLAAFDGPRF DATA SEQUENCE GIAGVRERLQ AFDRPIFFGV IKPNIGLPPQ PFAELGYQSW TGGLDIAKDD DATA SEQUENCE EMLADVDWCP LAERAALLGD ACRRASAETG VPKIYLANIT DEVDRLTELH DATA SEQUENCE DVAVANGAGA LLINAMPVGL SAVRMLRKHA TVPLIAHFPF IAAFSRLANY DATA SEQUENCE GIHSRVMTRL QRLAGFDVVI MPGFGPRMMT PEHEVLDCIR ACLEPMGPIK DATA SEQUENCE PCLPVPGGSD SAATLENVYR KVGSADFGFV PGRGVFGHPM GPAAGATSIR DATA SEQUENCE QAWDAIAAGI PVPDHAASHP ELAAALRAF 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 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.230 32.600 -0.618 0.000 1.302 2 T N 1.409 116.018 114.554 0.092 0.000 2.720 2 T HA -0.002 4.348 4.350 -0.000 0.000 0.268 2 T C -1.190 173.561 174.700 0.086 0.000 1.037 2 T CA 1.565 63.726 62.100 0.102 0.000 1.144 2 T CB -1.382 67.547 68.868 0.101 0.000 0.864 2 T HN 0.441 nan 8.240 nan 0.000 0.444 3 P HA 0.245 nan 4.420 nan 0.000 0.338 3 P C -0.258 177.094 177.300 0.086 0.000 1.417 3 P CA 0.228 63.377 63.100 0.082 0.000 0.868 3 P CB 0.349 32.100 31.700 0.086 0.000 2.131 4 D N -0.831 119.620 120.400 0.085 0.000 2.427 4 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 4 D C 0.549 176.908 176.300 0.099 0.000 1.157 4 D CA 0.070 54.113 54.000 0.072 0.000 0.828 4 D CB -0.420 40.401 40.800 0.036 0.000 0.974 4 D HN 0.158 nan 8.370 nan 0.000 0.498 5 D N 0.605 121.111 120.400 0.176 0.000 2.271 5 D HA -0.142 4.497 4.640 -0.000 0.000 0.207 5 D C 2.091 178.496 176.300 0.175 0.000 0.983 5 D CA 0.459 54.607 54.000 0.246 0.000 0.878 5 D CB 0.174 41.298 40.800 0.540 0.000 0.920 5 D HN 0.369 nan 8.370 nan 0.000 0.479 6 I N 1.224 121.901 120.570 0.178 0.000 2.264 6 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 6 I C 2.518 178.790 176.117 0.258 0.000 1.111 6 I CA 0.938 62.379 61.300 0.235 0.000 1.382 6 I CB -0.245 37.850 38.000 0.158 0.000 1.060 6 I HN -0.050 nan 8.210 nan 0.000 0.418 7 A N 1.021 123.901 122.820 0.100 0.000 1.892 7 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 7 A C 2.388 179.990 177.584 0.030 0.000 1.188 7 A CA 2.147 54.210 52.037 0.044 0.000 0.631 7 A CB -1.574 17.417 19.000 -0.015 0.000 0.822 7 A HN 0.478 nan 8.150 nan 0.000 0.447 8 G N -2.594 106.123 108.800 -0.138 0.000 2.625 8 G HA2 0.027 3.986 3.960 -0.000 0.000 0.214 8 G HA3 0.027 3.986 3.960 -0.000 0.000 0.214 8 G C 0.833 175.426 174.900 -0.512 0.000 1.132 8 G CA 0.605 45.478 45.100 -0.377 0.000 0.782 8 G HN 0.476 nan 8.290 nan 0.000 0.538 9 F N -1.065 118.831 119.950 -0.090 0.000 2.639 9 F HA 0.439 4.966 4.527 -0.000 0.000 0.302 9 F C -0.098 175.583 175.800 -0.200 0.000 1.097 9 F CA -0.744 57.158 58.000 -0.164 0.000 1.294 9 F CB 0.428 39.296 39.000 -0.220 0.000 1.027 9 F HN -0.073 nan 8.300 nan 0.000 0.550 10 Y N 0.280 120.591 120.300 0.018 0.000 2.524 10 Y HA 0.757 5.307 4.550 -0.001 0.000 0.344 10 Y C -0.020 175.850 175.900 -0.050 0.000 1.012 10 Y CA -1.633 56.470 58.100 0.005 0.000 1.068 10 Y CB 1.775 40.254 38.460 0.032 0.000 1.249 10 Y HN -0.147 nan 8.280 nan 0.000 0.468 11 A N 1.911 124.782 122.820 0.085 0.000 2.604 11 A HA 0.759 5.079 4.320 -0.000 0.000 0.295 11 A C -1.658 175.923 177.584 -0.005 0.000 1.067 11 A CA -1.191 50.843 52.037 -0.006 0.000 0.683 11 A CB 1.363 20.300 19.000 -0.106 0.000 1.281 11 A HN 0.621 nan 8.150 nan 0.000 0.407 12 K N 0.519 120.908 120.400 -0.018 0.000 2.143 12 K HA 0.509 4.829 4.320 -0.000 0.000 0.272 12 K C 1.071 177.643 176.600 -0.047 0.000 1.001 12 K CA -0.582 55.694 56.287 -0.018 0.000 0.915 12 K CB 1.107 33.601 32.500 -0.009 0.000 1.047 12 K HN 0.671 nan 8.250 nan 0.000 0.458 13 R N 1.941 122.416 120.500 -0.042 0.000 2.133 13 R HA -0.301 4.038 4.340 -0.000 0.000 0.245 13 R C 1.799 178.074 176.300 -0.042 0.000 1.137 13 R CA 2.407 58.477 56.100 -0.050 0.000 0.947 13 R CB -0.596 29.688 30.300 -0.027 0.000 0.865 13 R HN 0.857 nan 8.270 nan 0.000 0.437 14 A N 0.479 123.283 122.820 -0.026 0.000 1.997 14 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 14 A C 1.479 179.050 177.584 -0.022 0.000 1.172 14 A CA 2.147 54.174 52.037 -0.018 0.000 0.645 14 A CB -0.492 18.501 19.000 -0.012 0.000 0.813 14 A HN 0.378 nan 8.150 nan 0.000 0.454 15 D N -0.843 119.536 120.400 -0.034 0.000 2.323 15 D HA 0.131 4.771 4.640 -0.000 0.000 0.209 15 D C 0.391 176.668 176.300 -0.038 0.000 0.973 15 D CA 0.411 54.390 54.000 -0.035 0.000 0.874 15 D CB 0.064 40.840 40.800 -0.041 0.000 0.930 15 D HN 0.399 nan 8.370 nan 0.000 0.521 16 L N 1.060 122.249 121.223 -0.058 0.000 2.325 16 L HA 0.230 4.569 4.340 -0.000 0.000 0.278 16 L C 0.333 177.220 176.870 0.027 0.000 1.023 16 L CA -0.939 53.874 54.840 -0.045 0.000 0.811 16 L CB 1.719 43.640 42.059 -0.230 0.000 1.249 16 L HN -0.288 nan 8.230 nan 0.000 0.431 17 D N 2.869 123.326 120.400 0.095 0.000 2.367 17 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 17 D C 0.983 177.391 176.300 0.179 0.000 1.300 17 D CA 0.209 54.269 54.000 0.100 0.000 0.959 17 D CB 0.809 41.652 40.800 0.071 0.000 1.064 17 D HN 0.454 nan 8.370 nan 0.000 0.509 18 L N 2.582 123.885 121.223 0.133 0.000 2.450 18 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 18 L C 1.321 178.317 176.870 0.209 0.000 1.149 18 L CA 0.561 55.502 54.840 0.169 0.000 0.816 18 L CB 0.002 42.111 42.059 0.083 0.000 0.932 18 L HN 0.293 nan 8.230 nan 0.000 0.449 19 D N -0.054 120.444 120.400 0.163 0.000 2.312 19 D HA -0.095 4.545 4.640 -0.000 0.000 0.211 19 D C 1.372 177.783 176.300 0.184 0.000 0.964 19 D CA 0.708 54.809 54.000 0.168 0.000 0.877 19 D CB 0.025 40.900 40.800 0.125 0.000 0.924 19 D HN 0.339 nan 8.370 nan 0.000 0.515 20 N N -0.508 118.198 118.700 0.010 0.000 2.270 20 N HA -0.013 4.727 4.740 -0.000 0.000 0.198 20 N C -0.565 174.467 175.510 -0.796 0.000 1.117 20 N CA 0.079 52.839 53.050 -0.483 0.000 0.845 20 N CB 0.483 38.613 38.487 -0.595 0.000 0.980 20 N HN 0.231 nan 8.380 nan 0.000 0.486 21 Y N -0.054 120.215 120.300 -0.052 0.000 2.462 21 Y HA 0.513 5.063 4.550 -0.000 0.000 0.346 21 Y C 0.032 175.992 175.900 0.099 0.000 0.976 21 Y CA -0.820 57.282 58.100 0.002 0.000 1.044 21 Y CB 1.907 40.358 38.460 -0.014 0.000 1.230 21 Y HN -0.243 nan 8.280 nan 0.000 0.455 22 I N 2.754 123.465 120.570 0.236 0.000 2.359 22 I HA 0.241 4.410 4.170 -0.000 0.000 0.294 22 I C -0.281 175.880 176.117 0.074 0.000 0.987 22 I CA -0.495 60.857 61.300 0.087 0.000 1.225 22 I CB 1.170 39.195 38.000 0.042 0.000 1.366 22 I HN 0.572 nan 8.210 nan 0.000 0.466 23 E N 6.605 126.781 120.200 -0.040 0.000 2.266 23 E HA 0.616 4.966 4.350 -0.000 0.000 0.277 23 E C -1.202 175.321 176.600 -0.128 0.000 1.018 23 E CA -0.607 55.764 56.400 -0.048 0.000 0.840 23 E CB 1.891 31.555 29.700 -0.059 0.000 1.082 23 E HN 0.372 nan 8.360 nan 0.000 0.395 24 L N 2.206 123.370 121.223 -0.099 0.000 2.431 24 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 24 L C -0.929 175.786 176.870 -0.258 0.000 0.978 24 L CA -0.910 53.787 54.840 -0.239 0.000 0.822 24 L CB 2.122 44.052 42.059 -0.215 0.000 1.310 24 L HN 0.338 nan 8.230 nan 0.000 0.409 25 D N 2.867 123.037 120.400 -0.384 0.000 2.381 25 D HA 0.468 5.108 4.640 -0.000 0.000 0.235 25 D C -1.020 175.078 176.300 -0.336 0.000 1.068 25 D CA 0.013 53.872 54.000 -0.235 0.000 0.832 25 D CB 1.813 42.533 40.800 -0.133 0.000 1.101 25 D HN 0.105 nan 8.370 nan 0.000 0.515 26 F N 0.906 120.883 119.950 0.046 0.000 2.480 26 F HA 0.271 4.797 4.527 -0.000 0.000 0.329 26 F C 0.432 176.309 175.800 0.128 0.000 1.091 26 F CA -0.850 57.201 58.000 0.085 0.000 0.972 26 F CB 1.751 40.817 39.000 0.111 0.000 1.150 26 F HN -0.010 nan 8.300 nan 0.000 0.467 27 D N 3.175 123.761 120.400 0.310 0.000 2.278 27 D HA 0.534 5.174 4.640 -0.000 0.000 0.245 27 D C -0.887 175.580 176.300 0.279 0.000 1.052 27 D CA -0.001 54.106 54.000 0.178 0.000 0.834 27 D CB 1.455 42.320 40.800 0.108 0.000 1.194 27 D HN 0.307 nan 8.370 nan 0.000 0.481 28 F N -1.227 118.787 119.950 0.107 0.000 2.711 28 F HA 0.668 5.195 4.527 0.000 0.000 0.313 28 F C -1.108 174.770 175.800 0.130 0.000 1.141 28 F CA -1.120 56.942 58.000 0.103 0.000 0.941 28 F CB 1.449 40.473 39.000 0.041 0.000 1.349 28 F HN 0.012 nan 8.300 nan 0.000 0.464 29 E N 1.179 121.652 120.200 0.453 0.000 2.234 29 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 29 E C -1.379 175.599 176.600 0.631 0.000 0.877 29 E CA -0.943 55.705 56.400 0.412 0.000 0.758 29 E CB 2.257 32.233 29.700 0.459 0.000 1.170 29 E HN 0.950 nan 8.360 nan 0.000 0.415 30 C N 0.119 119.726 119.300 0.512 0.000 3.080 30 C HA 0.951 5.411 4.460 -0.000 0.000 0.307 30 C C -0.286 174.906 174.990 0.337 0.000 1.311 30 C CA -0.869 58.439 59.018 0.483 0.000 1.533 30 C CB 0.632 28.654 27.740 0.470 0.000 1.970 30 C HN 0.817 nan 8.230 nan 0.000 0.467 31 A N 1.341 124.349 122.820 0.315 0.000 2.324 31 A HA 0.926 5.246 4.320 -0.000 0.000 0.330 31 A C 0.741 178.437 177.584 0.187 0.000 1.165 31 A CA 0.768 52.931 52.037 0.210 0.000 0.813 31 A CB 0.162 19.301 19.000 0.233 0.000 1.197 31 A HN 3.134 nan 8.150 nan 0.000 0.484 32 G N 1.122 110.030 108.800 0.180 0.000 2.598 32 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.244 32 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.244 32 G C -0.205 174.785 174.900 0.151 0.000 1.302 32 G CA 0.153 45.350 45.100 0.160 0.000 0.903 32 G HN 1.199 nan 8.290 nan 0.000 0.575 33 D N 1.703 122.166 120.400 0.105 0.000 2.472 33 D HA 0.264 4.903 4.640 -0.000 0.000 0.248 33 D C 0.069 176.404 176.300 0.059 0.000 1.174 33 D CA -0.941 53.094 54.000 0.058 0.000 0.883 33 D CB 1.052 41.909 40.800 0.094 0.000 1.149 33 D HN 0.133 nan 8.370 nan 0.000 0.488 34 P HA -0.152 nan 4.420 nan 0.000 0.223 34 P C 1.059 178.398 177.300 0.064 0.000 1.151 34 P CA 1.033 64.133 63.100 0.001 0.000 0.787 34 P CB 0.245 31.830 31.700 -0.192 0.000 0.788 35 H N 0.434 119.549 119.070 0.076 0.000 2.333 35 H HA 0.003 4.558 4.556 -0.000 0.000 0.302 35 H C 2.026 177.471 175.328 0.196 0.000 1.075 35 H CA 1.101 57.239 56.048 0.151 0.000 1.348 35 H CB -0.053 29.732 29.762 0.037 0.000 1.393 35 H HN 0.251 nan 8.280 nan 0.000 0.509 36 E N 0.647 120.999 120.200 0.253 0.000 2.097 36 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 36 E C 2.389 179.125 176.600 0.225 0.000 1.000 36 E CA 0.855 57.382 56.400 0.211 0.000 0.804 36 E CB -0.027 29.801 29.700 0.212 0.000 0.740 36 E HN 0.368 nan 8.360 nan 0.000 0.454 37 A N 1.544 124.480 122.820 0.194 0.000 1.883 37 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 37 A C 2.419 179.992 177.584 -0.018 0.000 1.186 37 A CA 2.070 54.175 52.037 0.112 0.000 0.624 37 A CB -0.699 18.393 19.000 0.153 0.000 0.822 37 A HN 0.315 nan 8.150 nan 0.000 0.444 38 A N -0.308 122.533 122.820 0.035 0.000 1.902 38 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 38 A C 2.521 179.995 177.584 -0.183 0.000 1.181 38 A CA 2.168 54.161 52.037 -0.073 0.000 0.623 38 A CB -1.054 17.964 19.000 0.029 0.000 0.818 38 A HN 1.108 nan 8.150 nan 0.000 0.443 39 A N -0.904 121.853 122.820 -0.105 0.000 1.902 39 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 39 A C 1.944 179.222 177.584 -0.510 0.000 1.181 39 A CA 1.947 53.818 52.037 -0.277 0.000 0.623 39 A CB -0.981 17.989 19.000 -0.050 0.000 0.818 39 A HN 0.709 nan 8.150 nan 0.000 0.443 40 H N -1.600 117.293 119.070 -0.295 0.000 2.422 40 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 40 H C 1.885 177.027 175.328 -0.310 0.000 1.098 40 H CA 1.516 57.404 56.048 -0.267 0.000 1.315 40 H CB 0.017 29.689 29.762 -0.151 0.000 1.382 40 H HN 0.413 nan 8.280 nan 0.000 0.523 41 L N -0.352 120.740 121.223 -0.218 0.000 2.156 41 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 41 L C 1.904 178.596 176.870 -0.296 0.000 1.095 41 L CA 1.211 55.859 54.840 -0.318 0.000 0.770 41 L CB -0.487 41.278 42.059 -0.491 0.000 0.914 41 L HN 0.345 nan 8.230 nan 0.000 0.439 42 C N -1.689 117.411 119.300 -0.333 0.000 2.476 42 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 42 C C 3.041 177.870 174.990 -0.268 0.000 1.274 42 C CA 0.947 59.803 59.018 -0.270 0.000 1.713 42 C CB -0.742 26.846 27.740 -0.254 0.000 2.039 42 C HN 0.680 nan 8.230 nan 0.000 0.484 43 S N 0.648 115.998 115.700 -0.583 0.000 2.378 43 S HA -0.199 4.271 4.470 -0.000 0.000 0.221 43 S C 1.890 176.473 174.600 -0.028 0.000 1.037 43 S CA 1.794 59.771 58.200 -0.372 0.000 1.069 43 S CB -0.321 62.590 63.200 -0.481 0.000 1.006 43 S HN 0.559 nan 8.310 nan 0.000 0.423 44 E N 0.857 121.035 120.200 -0.036 0.000 2.130 44 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 44 E C 2.051 178.682 176.600 0.051 0.000 0.998 44 E CA 1.107 57.524 56.400 0.029 0.000 0.806 44 E CB -0.559 29.144 29.700 0.005 0.000 0.738 44 E HN 0.706 nan 8.360 nan 0.000 0.459 45 Q N 0.050 119.864 119.800 0.023 0.000 2.378 45 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 45 Q C 1.069 177.187 176.000 0.196 0.000 0.954 45 Q CA 1.127 56.991 55.803 0.102 0.000 0.901 45 Q CB 0.328 29.106 28.738 0.067 0.000 0.981 45 Q HN 0.316 nan 8.270 nan 0.000 0.483 46 S N -2.256 113.525 115.700 0.135 0.000 3.962 46 S HA 0.045 4.515 4.470 -0.000 0.000 0.175 46 S C 1.624 176.352 174.600 0.213 0.000 1.091 46 S CA 0.280 58.580 58.200 0.165 0.000 1.174 46 S CB -0.359 62.863 63.200 0.038 0.000 1.845 46 S HN 0.324 nan 8.310 nan 0.000 0.835 47 T N 0.652 115.382 114.554 0.293 0.000 2.564 47 T HA 0.257 4.607 4.350 -0.000 0.000 0.259 47 T C 1.868 176.810 174.700 0.404 0.000 1.087 47 T CA 2.627 64.964 62.100 0.395 0.000 1.184 47 T CB -1.490 67.708 68.868 0.549 0.000 0.864 47 T HN 1.954 nan 8.240 nan 0.000 0.403 48 A N 0.292 123.421 122.820 0.515 0.000 4.287 48 A HA -0.237 4.083 4.320 -0.000 0.000 0.258 48 A C 0.779 178.567 177.584 0.341 0.000 0.811 48 A CA 1.803 54.081 52.037 0.401 0.000 1.245 48 A CB -2.020 17.103 19.000 0.206 0.000 1.055 48 A HN 0.935 nan 8.150 nan 0.000 0.763 49 Q N -1.941 118.078 119.800 0.365 0.000 2.371 49 Q HA 0.473 4.813 4.340 -0.000 0.000 0.244 49 Q C -0.165 175.968 176.000 0.222 0.000 0.882 49 Q CA 0.043 55.855 55.803 0.015 0.000 0.866 49 Q CB 0.609 29.341 28.738 -0.011 0.000 1.399 49 Q HN 0.913 nan 8.270 nan 0.000 0.432 50 W N 3.216 124.536 121.300 0.034 0.000 2.993 50 W HA 0.382 5.042 4.660 -0.000 0.000 0.290 50 W C 0.181 176.284 176.519 -0.694 0.000 1.203 50 W CA -0.460 56.767 57.345 -0.198 0.000 1.582 50 W CB 0.447 29.826 29.460 -0.134 0.000 1.033 50 W HN 0.190 nan 8.180 nan 0.000 0.594 51 R N 1.450 121.635 120.500 -0.525 0.000 2.705 51 R HA 0.681 5.020 4.340 -0.000 0.000 0.246 51 R C -0.395 175.759 176.300 -0.243 0.000 1.142 51 R CA -1.052 54.810 56.100 -0.398 0.000 1.114 51 R CB 0.637 30.797 30.300 -0.233 0.000 1.256 51 R HN -0.064 nan 8.270 nan 0.000 0.536 52 R N -0.548 119.857 120.500 -0.158 0.000 2.700 52 R HA 0.184 4.523 4.340 -0.000 0.000 0.253 52 R C 1.418 177.779 176.300 0.102 0.000 1.091 52 R CA -0.397 55.648 56.100 -0.092 0.000 1.104 52 R CB 0.834 30.904 30.300 -0.384 0.000 1.202 52 R HN 0.406 nan 8.270 nan 0.000 0.532 53 V N 0.684 120.672 119.914 0.123 0.000 2.282 53 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 53 V C 0.819 176.991 176.094 0.130 0.000 1.048 53 V CA 2.707 65.081 62.300 0.123 0.000 1.095 53 V CB -0.416 31.490 31.823 0.139 0.000 0.742 53 V HN 0.949 nan 8.190 nan 0.000 0.483 54 G N -1.070 107.853 108.800 0.206 0.000 4.956 54 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 54 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 54 G C -0.980 173.884 174.900 -0.060 0.000 1.352 54 G CA -0.319 44.803 45.100 0.037 0.000 0.983 54 G HN 0.301 nan 8.290 nan 0.000 0.581 55 F N 0.821 120.745 119.950 -0.043 0.000 2.495 55 F HA 0.358 4.885 4.527 -0.000 0.000 0.327 55 F C -0.379 175.390 175.800 -0.051 0.000 1.103 55 F CA -1.767 56.212 58.000 -0.035 0.000 0.949 55 F CB 2.064 41.048 39.000 -0.027 0.000 1.142 55 F HN 0.201 nan 8.300 nan 0.000 0.457 56 D N 0.590 121.063 120.400 0.122 0.000 2.393 56 D HA 0.260 4.900 4.640 -0.000 0.000 0.232 56 D C 0.183 176.534 176.300 0.085 0.000 1.192 56 D CA -0.176 53.868 54.000 0.073 0.000 0.882 56 D CB 1.456 42.281 40.800 0.042 0.000 1.038 56 D HN 0.717 nan 8.370 nan 0.000 0.499 57 E N 0.970 121.185 120.200 0.025 0.000 3.100 57 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 57 E C -0.543 176.005 176.600 -0.087 0.000 1.097 57 E CA -0.332 56.046 56.400 -0.036 0.000 1.339 57 E CB 0.430 30.013 29.700 -0.196 0.000 1.330 57 E HN 0.373 nan 8.360 nan 0.000 0.511 58 D N 0.691 121.002 120.400 -0.149 0.000 3.478 58 D HA -0.215 4.425 4.640 -0.000 0.000 0.219 58 D C -0.670 175.605 176.300 -0.042 0.000 1.143 58 D CA 0.498 54.470 54.000 -0.046 0.000 1.047 58 D CB -0.936 39.883 40.800 0.033 0.000 0.820 58 D HN 0.321 nan 8.370 nan 0.000 0.393 59 F N 1.038 121.119 119.950 0.218 0.000 2.898 59 F HA 0.398 4.925 4.527 -0.000 0.000 0.290 59 F C 1.883 177.823 175.800 0.233 0.000 1.195 59 F CA -0.964 57.183 58.000 0.245 0.000 1.387 59 F CB -0.027 39.170 39.000 0.329 0.000 0.976 59 F HN 0.037 nan 8.300 nan 0.000 0.510 60 R N 1.401 121.994 120.500 0.155 0.000 2.073 60 R HA 0.020 4.360 4.340 -0.000 0.000 0.229 60 R C -0.618 175.633 176.300 -0.081 0.000 1.120 60 R CA 1.149 57.187 56.100 -0.104 0.000 0.967 60 R CB -1.164 28.791 30.300 -0.575 0.000 0.862 60 R HN 0.230 nan 8.270 nan 0.000 0.436 61 P HA -0.153 nan 4.420 nan 0.000 0.218 61 P C 0.656 177.925 177.300 -0.053 0.000 1.149 61 P CA 1.292 64.357 63.100 -0.057 0.000 0.817 61 P CB 0.054 31.729 31.700 -0.042 0.000 0.785 62 R N -2.064 118.376 120.500 -0.100 0.000 2.206 62 R HA 0.158 4.498 4.340 -0.000 0.000 0.198 62 R C 1.002 176.947 176.300 -0.591 0.000 0.986 62 R CA 0.683 56.542 56.100 -0.401 0.000 1.029 62 R CB 0.099 30.032 30.300 -0.610 0.000 0.966 62 R HN 0.160 nan 8.270 nan 0.000 0.487 63 F N -0.611 119.348 119.950 0.015 0.000 2.767 63 F HA 0.442 4.969 4.527 -0.000 0.000 0.323 63 F C 0.312 176.125 175.800 0.022 0.000 1.091 63 F CA -0.556 57.448 58.000 0.006 0.000 1.192 63 F CB 0.982 40.003 39.000 0.034 0.000 1.056 63 F HN -0.087 nan 8.300 nan 0.000 0.571 64 A N 1.136 124.050 122.820 0.157 0.000 2.305 64 A HA 0.786 5.105 4.320 -0.000 0.000 0.322 64 A C 0.138 177.758 177.584 0.061 0.000 1.187 64 A CA -0.460 51.646 52.037 0.115 0.000 0.825 64 A CB 0.313 19.323 19.000 0.018 0.000 1.164 64 A HN 0.159 nan 8.150 nan 0.000 0.498 65 A N 2.544 125.346 122.820 -0.029 0.000 2.498 65 A HA 0.502 4.822 4.320 -0.000 0.000 0.239 65 A C 0.281 177.891 177.584 0.044 0.000 1.068 65 A CA 0.317 52.314 52.037 -0.068 0.000 0.766 65 A CB 0.004 18.870 19.000 -0.222 0.000 1.003 65 A HN 0.752 nan 8.150 nan 0.000 0.497 66 K N 1.356 121.746 120.400 -0.016 0.000 2.422 66 K HA 0.469 4.788 4.320 -0.000 0.000 0.251 66 K C -1.344 175.167 176.600 -0.148 0.000 0.933 66 K CA -0.833 55.406 56.287 -0.080 0.000 0.798 66 K CB 2.421 34.840 32.500 -0.134 0.000 1.238 66 K HN 0.400 nan 8.250 nan 0.000 0.428 67 V N 5.065 124.811 119.914 -0.280 0.000 2.446 67 V HA 0.014 4.133 4.120 -0.000 0.000 0.276 67 V C 1.348 177.357 176.094 -0.142 0.000 1.030 67 V CA 0.206 62.317 62.300 -0.315 0.000 1.033 67 V CB 0.179 31.542 31.823 -0.767 0.000 0.993 67 V HN 0.752 nan 8.190 nan 0.000 0.477 68 L N 3.020 124.199 121.223 -0.073 0.000 2.162 68 L HA 0.276 4.616 4.340 -0.000 0.000 0.205 68 L C 1.048 177.932 176.870 0.023 0.000 1.086 68 L CA 0.954 55.775 54.840 -0.032 0.000 0.778 68 L CB 0.220 42.250 42.059 -0.049 0.000 0.928 68 L HN 0.741 nan 8.230 nan 0.000 0.446 69 E N 0.249 120.467 120.200 0.029 0.000 2.347 69 E HA 0.393 4.743 4.350 -0.000 0.000 0.285 69 E C -1.965 174.666 176.600 0.051 0.000 0.925 69 E CA -0.534 55.896 56.400 0.049 0.000 0.779 69 E CB 2.364 32.080 29.700 0.027 0.000 1.233 69 E HN -0.080 nan 8.360 nan 0.000 0.414 70 L N 2.635 123.893 121.223 0.059 0.000 2.445 70 L HA 0.731 5.071 4.340 -0.000 0.000 0.262 70 L C -1.843 175.022 176.870 -0.009 0.000 0.974 70 L CA -0.194 54.659 54.840 0.023 0.000 0.822 70 L CB 2.331 44.397 42.059 0.011 0.000 1.339 70 L HN 0.405 nan 8.230 nan 0.000 0.409 71 S N 3.193 118.867 115.700 -0.043 0.000 2.614 71 S HA 0.944 5.414 4.470 -0.000 0.000 0.275 71 S C -1.515 173.036 174.600 -0.082 0.000 1.161 71 S CA 0.197 58.372 58.200 -0.041 0.000 0.969 71 S CB 1.225 64.409 63.200 -0.026 0.000 1.059 71 S HN 1.301 nan 8.310 nan 0.000 0.482 72 A N 4.239 127.024 122.820 -0.057 0.000 2.429 72 A HA 0.720 5.040 4.320 -0.000 0.000 0.289 72 A C -0.960 176.645 177.584 0.035 0.000 1.043 72 A CA -0.769 51.236 52.037 -0.053 0.000 0.722 72 A CB 1.155 20.094 19.000 -0.101 0.000 1.243 72 A HN 0.799 nan 8.150 nan 0.000 0.415 73 E N 3.280 123.510 120.200 0.050 0.000 2.238 73 E HA 0.674 5.023 4.350 -0.000 0.000 0.267 73 E C -2.928 173.709 176.600 0.061 0.000 0.887 73 E CA -2.183 54.255 56.400 0.062 0.000 0.769 73 E CB 2.561 32.268 29.700 0.012 0.000 1.187 73 E HN 0.368 nan 8.360 nan 0.000 0.416 74 P HA 0.134 nan 4.420 nan 0.000 0.274 74 P C -0.947 176.259 177.300 -0.158 0.000 1.231 74 P CA -0.479 62.513 63.100 -0.180 0.000 0.790 74 P CB 0.463 32.068 31.700 -0.159 0.000 0.951 75 R N 1.581 121.947 120.500 -0.224 0.000 2.625 75 R HA 0.382 4.722 4.340 -0.000 0.000 0.286 75 R C -2.263 173.930 176.300 -0.178 0.000 1.406 75 R CA -1.650 54.354 56.100 -0.160 0.000 1.052 75 R CB 0.843 31.067 30.300 -0.126 0.000 1.203 75 R HN 0.159 nan 8.270 nan 0.000 0.502 76 P HA -0.187 nan 4.420 nan 0.000 0.226 76 P C 1.068 178.307 177.300 -0.102 0.000 1.153 76 P CA 1.051 64.079 63.100 -0.120 0.000 0.777 76 P CB 0.436 32.086 31.700 -0.083 0.000 0.794 77 S N -0.916 114.730 115.700 -0.090 0.000 2.447 77 S HA 0.166 4.636 4.470 -0.000 0.000 0.233 77 S C 1.224 175.777 174.600 -0.078 0.000 1.006 77 S CA 1.094 59.255 58.200 -0.065 0.000 0.957 77 S CB -1.060 62.114 63.200 -0.043 0.000 0.773 77 S HN 0.461 nan 8.310 nan 0.000 0.507 78 G N 0.053 108.763 108.800 -0.150 0.000 2.512 78 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.210 78 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.210 78 G C -0.483 174.272 174.900 -0.241 0.000 1.295 78 G CA -0.470 44.491 45.100 -0.231 0.000 0.934 78 G HN 0.406 nan 8.290 nan 0.000 0.554 79 F N 1.253 121.208 119.950 0.009 0.000 2.450 79 F HA 0.433 4.959 4.527 -0.000 0.000 0.339 79 F C 2.148 177.956 175.800 0.013 0.000 1.146 79 F CA 0.460 58.471 58.000 0.019 0.000 1.267 79 F CB 1.263 40.278 39.000 0.025 0.000 1.178 79 F HN 0.448 nan 8.300 nan 0.000 0.585 80 S N 0.473 116.306 115.700 0.223 0.000 2.354 80 S HA -0.101 4.368 4.470 -0.000 0.000 0.219 80 S C 0.570 175.228 174.600 0.096 0.000 1.035 80 S CA 0.832 59.106 58.200 0.123 0.000 1.037 80 S CB -0.299 62.970 63.200 0.115 0.000 0.956 80 S HN 0.298 nan 8.310 nan 0.000 0.428 81 V N 3.881 123.850 119.914 0.091 0.000 2.617 81 V HA 0.337 4.457 4.120 -0.000 0.000 0.298 81 V C -2.285 173.838 176.094 0.048 0.000 1.048 81 V CA -2.301 60.025 62.300 0.042 0.000 0.964 81 V CB 0.718 32.539 31.823 -0.004 0.000 1.004 81 V HN 0.224 nan 8.190 nan 0.000 0.466 82 P HA 0.276 nan 4.420 nan 0.000 0.268 82 P C -0.596 176.685 177.300 -0.031 0.000 1.204 82 P CA 0.305 63.419 63.100 0.024 0.000 0.768 82 P CB 1.259 32.968 31.700 0.014 0.000 0.842 83 V N 2.361 122.243 119.914 -0.053 0.000 5.071 83 V HA 0.531 4.651 4.120 -0.000 0.000 0.300 83 V C -0.253 175.788 176.094 -0.090 0.000 1.520 83 V CA -0.735 61.489 62.300 -0.125 0.000 0.822 83 V CB 1.049 32.718 31.823 -0.255 0.000 1.318 83 V HN 0.668 nan 8.190 nan 0.000 0.446 84 E N -0.719 119.407 120.200 -0.123 0.000 2.347 84 E HA 0.658 5.008 4.350 -0.000 0.000 0.285 84 E C -1.593 174.959 176.600 -0.081 0.000 0.925 84 E CA -0.483 55.879 56.400 -0.063 0.000 0.779 84 E CB 1.778 31.456 29.700 -0.035 0.000 1.233 84 E HN 0.576 nan 8.360 nan 0.000 0.414 85 C N 1.577 120.862 119.300 -0.024 0.000 2.898 85 C HA 0.762 5.222 4.460 -0.000 0.000 0.304 85 C C 0.943 175.953 174.990 0.033 0.000 1.237 85 C CA -0.019 58.993 59.018 -0.010 0.000 1.529 85 C CB 1.264 29.011 27.740 0.011 0.000 2.021 85 C HN 1.011 nan 8.230 nan 0.000 0.474 86 A N 1.992 124.828 122.820 0.027 0.000 2.261 86 A HA 0.586 4.906 4.320 -0.000 0.000 0.208 86 A C 0.623 178.235 177.584 0.046 0.000 1.223 86 A CA 1.016 53.071 52.037 0.030 0.000 0.833 86 A CB -0.483 18.526 19.000 0.014 0.000 0.830 86 A HN 1.560 nan 8.150 nan 0.000 0.483 87 A N -1.025 121.843 122.820 0.079 0.000 2.609 87 A HA 0.796 5.115 4.320 -0.000 0.000 0.291 87 A C -0.103 177.545 177.584 0.108 0.000 1.096 87 A CA -0.781 51.311 52.037 0.091 0.000 0.684 87 A CB 1.075 20.136 19.000 0.101 0.000 1.282 87 A HN 0.325 nan 8.150 nan 0.000 0.412 88 R N -0.710 119.841 120.500 0.085 0.000 3.234 88 R HA 0.784 5.124 4.340 -0.000 0.000 0.223 88 R C 0.808 177.143 176.300 0.058 0.000 1.644 88 R CA 0.053 56.195 56.100 0.070 0.000 1.009 88 R CB 0.791 31.122 30.300 0.052 0.000 1.959 88 R HN 2.109 nan 8.270 nan 0.000 0.534 89 G N 0.940 109.762 108.800 0.035 0.000 2.562 89 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.250 89 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.250 89 G C -2.214 172.681 174.900 -0.007 0.000 1.269 89 G CA -0.488 44.627 45.100 0.025 0.000 0.919 89 G HN 0.506 nan 8.290 nan 0.000 0.574 90 P HA 0.525 nan 4.420 nan 0.000 0.272 90 P C -0.478 176.738 177.300 -0.140 0.000 1.230 90 P CA -0.232 62.809 63.100 -0.099 0.000 0.788 90 P CB 1.159 32.812 31.700 -0.077 0.000 0.949 91 V N 2.338 122.066 119.914 -0.310 0.000 2.448 91 V HA 0.290 4.410 4.120 -0.000 0.000 0.295 91 V C -0.181 175.674 176.094 -0.399 0.000 1.025 91 V CA -0.501 61.591 62.300 -0.345 0.000 0.859 91 V CB 1.008 32.460 31.823 -0.618 0.000 0.988 91 V HN 0.602 nan 8.190 nan 0.000 0.431 92 H N 1.775 120.788 119.070 -0.095 0.000 2.573 92 H HA 0.812 5.368 4.556 -0.000 0.000 0.351 92 H C 0.091 175.366 175.328 -0.089 0.000 1.163 92 H CA -0.179 55.825 56.048 -0.073 0.000 1.205 92 H CB 1.738 31.477 29.762 -0.038 0.000 1.605 92 H HN 0.856 nan 8.280 nan 0.000 0.525 93 A N 1.615 124.437 122.820 0.004 0.000 2.288 93 A HA 0.591 4.911 4.320 -0.000 0.000 0.320 93 A C -0.686 176.788 177.584 -0.182 0.000 1.217 93 A CA -0.426 51.566 52.037 -0.075 0.000 0.840 93 A CB 0.022 18.995 19.000 -0.046 0.000 1.179 93 A HN 0.756 nan 8.150 nan 0.000 0.504 94 C N 1.087 120.128 119.300 -0.432 0.000 2.779 94 C HA 0.814 5.274 4.460 -0.000 0.000 0.314 94 C C 0.171 174.884 174.990 -0.462 0.000 1.231 94 C CA -0.873 57.788 59.018 -0.595 0.000 1.652 94 C CB 1.664 28.664 27.740 -1.234 0.000 2.198 94 C HN 0.930 nan 8.230 nan 0.000 0.483 95 R N 0.921 121.270 120.500 -0.251 0.000 2.502 95 R HA 0.730 5.070 4.340 -0.000 0.000 0.300 95 R C -1.700 174.602 176.300 0.003 0.000 0.984 95 R CA -0.210 55.844 56.100 -0.077 0.000 0.882 95 R CB 1.978 32.255 30.300 -0.039 0.000 1.180 95 R HN 0.639 nan 8.270 nan 0.000 0.444 96 V N 1.369 121.358 119.914 0.124 0.000 2.735 96 V HA 0.511 4.631 4.120 -0.000 0.000 0.310 96 V C -0.156 176.020 176.094 0.137 0.000 1.061 96 V CA -0.897 61.499 62.300 0.159 0.000 0.913 96 V CB 2.253 34.246 31.823 0.284 0.000 1.005 96 V HN 0.684 nan 8.190 nan 0.000 0.428 97 T N 5.094 119.694 114.554 0.076 0.000 2.772 97 T HA 0.702 5.052 4.350 -0.000 0.000 0.288 97 T C -0.390 174.336 174.700 0.043 0.000 0.994 97 T CA -0.043 62.084 62.100 0.045 0.000 0.951 97 T CB 0.776 69.647 68.868 0.005 0.000 0.933 97 T HN 0.432 nan 8.240 nan 0.000 0.447 98 I N 2.486 123.106 120.570 0.083 0.000 2.433 98 I HA 0.594 4.764 4.170 -0.000 0.000 0.292 98 I C 0.173 176.336 176.117 0.076 0.000 1.001 98 I CA -1.068 60.278 61.300 0.076 0.000 1.119 98 I CB 1.624 39.724 38.000 0.166 0.000 1.289 98 I HN 0.652 nan 8.210 nan 0.000 0.438 99 A N 5.384 128.217 122.820 0.021 0.000 2.260 99 A HA 0.396 4.716 4.320 -0.000 0.000 0.312 99 A C -0.843 176.902 177.584 0.269 0.000 1.321 99 A CA -0.191 51.882 52.037 0.059 0.000 0.928 99 A CB -0.157 18.706 19.000 -0.227 0.000 1.158 99 A HN 0.824 nan 8.150 nan 0.000 0.542 100 H N 4.438 123.685 119.070 0.295 0.000 2.504 100 H HA 0.450 5.006 4.556 -0.000 0.000 0.322 100 H C -2.460 172.989 175.328 0.201 0.000 1.055 100 H CA -2.069 54.153 56.048 0.290 0.000 1.231 100 H CB 1.574 31.493 29.762 0.263 0.000 1.417 100 H HN 0.412 nan 8.280 nan 0.000 0.472 101 P HA -0.002 nan 4.420 nan 0.000 0.270 101 P C -0.272 176.834 177.300 -0.323 0.000 1.242 101 P CA -0.028 62.806 63.100 -0.443 0.000 0.768 101 P CB 0.403 31.815 31.700 -0.480 0.000 0.820 102 H N 2.152 120.953 119.070 -0.449 0.000 2.547 102 H HA 0.084 4.640 4.556 -0.000 0.000 0.272 102 H C 1.978 176.882 175.328 -0.706 0.000 0.989 102 H CA 0.978 56.522 56.048 -0.840 0.000 1.214 102 H CB -1.135 28.204 29.762 -0.706 0.000 1.389 102 H HN 0.415 nan 8.280 nan 0.000 0.577 103 G N 0.775 109.287 108.800 -0.481 0.000 2.499 103 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 103 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 103 G C 1.372 176.184 174.900 -0.148 0.000 1.109 103 G CA 0.806 45.766 45.100 -0.234 0.000 0.749 103 G HN 0.616 nan 8.290 nan 0.000 0.568 104 N N -0.340 118.232 118.700 -0.213 0.000 2.223 104 N HA -0.072 4.667 4.740 -0.000 0.000 0.185 104 N C 1.595 177.152 175.510 0.079 0.000 1.016 104 N CA 1.509 54.568 53.050 0.014 0.000 0.863 104 N CB -0.151 38.456 38.487 0.201 0.000 0.983 104 N HN 0.620 nan 8.380 nan 0.000 0.429 105 F N -1.894 118.159 119.950 0.171 0.000 2.789 105 F HA 0.501 5.028 4.527 -0.000 0.000 0.320 105 F C 1.081 176.977 175.800 0.159 0.000 1.079 105 F CA -0.199 57.889 58.000 0.148 0.000 1.205 105 F CB -0.177 38.903 39.000 0.133 0.000 1.046 105 F HN -0.099 nan 8.300 nan 0.000 0.586 106 G N 1.413 110.301 108.800 0.147 0.000 2.750 106 G HA2 0.049 4.009 3.960 -0.000 0.000 0.228 106 G HA3 0.049 4.009 3.960 -0.000 0.000 0.228 106 G C 0.080 175.209 174.900 0.381 0.000 1.367 106 G CA -0.357 44.873 45.100 0.216 0.000 0.871 106 G HN 1.112 nan 8.290 nan 0.000 0.560 107 A N 0.281 123.147 122.820 0.075 0.000 3.118 107 A HA 0.607 4.926 4.320 -0.000 0.000 0.256 107 A C 0.565 178.040 177.584 -0.181 0.000 1.667 107 A CA 0.666 52.559 52.037 -0.241 0.000 1.338 107 A CB -0.385 18.103 19.000 -0.854 0.000 1.127 107 A HN 0.632 nan 8.150 nan 0.000 0.634 108 K N 0.132 120.627 120.400 0.158 0.000 2.397 108 K HA 0.510 4.830 4.320 -0.000 0.000 0.253 108 K C 0.263 176.993 176.600 0.216 0.000 0.932 108 K CA -0.625 55.741 56.287 0.132 0.000 0.795 108 K CB 1.875 34.433 32.500 0.097 0.000 1.159 108 K HN 0.196 nan 8.250 nan 0.000 0.424 109 I N 3.596 124.287 120.570 0.201 0.000 2.127 109 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 109 I C -1.008 175.147 176.117 0.063 0.000 1.075 109 I CA 1.428 62.816 61.300 0.148 0.000 1.334 109 I CB -0.495 37.576 38.000 0.118 0.000 1.040 109 I HN 0.643 nan 8.210 nan 0.000 0.405 110 P HA -0.153 nan 4.420 nan 0.000 0.215 110 P C 0.972 178.267 177.300 -0.009 0.000 1.157 110 P CA 1.727 64.837 63.100 0.016 0.000 0.874 110 P CB -0.216 31.497 31.700 0.022 0.000 0.790 111 N N -1.058 117.650 118.700 0.012 0.000 2.244 111 N HA -0.119 4.620 4.740 -0.000 0.000 0.183 111 N C 1.525 176.867 175.510 -0.280 0.000 1.016 111 N CA 0.495 53.536 53.050 -0.016 0.000 0.866 111 N CB -0.915 37.652 38.487 0.134 0.000 0.980 111 N HN 0.043 nan 8.380 nan 0.000 0.430 112 L N 1.057 122.080 121.223 -0.333 0.000 1.955 112 L HA -0.091 4.248 4.340 -0.000 0.000 0.213 112 L C 1.718 178.315 176.870 -0.456 0.000 1.072 112 L CA 1.549 55.973 54.840 -0.693 0.000 0.755 112 L CB -0.924 41.039 42.059 -0.161 0.000 0.888 112 L HN 0.176 nan 8.230 nan 0.000 0.432 113 L N -0.179 120.930 121.223 -0.189 0.000 1.978 113 L HA -0.289 4.051 4.340 -0.000 0.000 0.218 113 L C 2.385 179.197 176.870 -0.097 0.000 1.075 113 L CA 2.004 56.780 54.840 -0.107 0.000 0.767 113 L CB -0.993 41.036 42.059 -0.050 0.000 0.890 113 L HN 0.529 nan 8.230 nan 0.000 0.434 114 S N -0.902 114.746 115.700 -0.086 0.000 2.653 114 S HA 0.098 4.568 4.470 -0.000 0.000 0.233 114 S C 1.370 175.953 174.600 -0.027 0.000 0.970 114 S CA 0.535 58.719 58.200 -0.027 0.000 0.947 114 S CB -0.082 63.117 63.200 -0.002 0.000 0.771 114 S HN 0.440 nan 8.310 nan 0.000 0.538 115 A N 1.722 124.465 122.820 -0.128 0.000 2.011 115 A HA 0.358 4.677 4.320 -0.000 0.000 0.204 115 A C 2.001 179.558 177.584 -0.044 0.000 1.520 115 A CA 0.556 52.544 52.037 -0.082 0.000 0.819 115 A CB -0.718 18.125 19.000 -0.263 0.000 1.087 115 A HN 0.842 nan 8.150 nan 0.000 0.526 116 V N -2.231 117.590 119.914 -0.154 0.000 3.510 116 V HA 0.053 4.173 4.120 -0.000 0.000 0.270 116 V C 0.818 176.956 176.094 0.073 0.000 1.201 116 V CA 0.603 62.898 62.300 -0.009 0.000 1.166 116 V CB -1.563 30.218 31.823 -0.069 0.000 0.825 116 V HN 1.071 nan 8.190 nan 0.000 0.484 117 C N -1.431 117.898 119.300 0.047 0.000 2.971 117 C HA 0.795 5.255 4.460 -0.000 0.000 0.239 117 C C 0.739 175.861 174.990 0.219 0.000 1.647 117 C CA -0.457 58.631 59.018 0.116 0.000 1.088 117 C CB -1.172 26.694 27.740 0.209 0.000 1.982 117 C HN 0.569 nan 8.230 nan 0.000 0.643 118 G N 1.068 109.963 108.800 0.158 0.000 2.782 118 G HA2 0.542 4.502 3.960 -0.000 0.000 0.201 118 G HA3 0.542 4.502 3.960 -0.000 0.000 0.201 118 G C 0.555 175.625 174.900 0.283 0.000 1.374 118 G CA -0.133 45.089 45.100 0.203 0.000 1.039 118 G HN 0.324 nan 8.290 nan 0.000 0.576 119 E N -0.102 120.252 120.200 0.257 0.000 2.113 119 E HA -0.168 4.181 4.350 -0.000 0.000 0.210 119 E C 2.549 179.301 176.600 0.253 0.000 1.040 119 E CA 2.023 58.611 56.400 0.314 0.000 0.847 119 E CB -0.865 28.912 29.700 0.129 0.000 0.755 119 E HN 0.484 nan 8.360 nan 0.000 0.459 120 G N 0.181 109.055 108.800 0.125 0.000 2.624 120 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.221 120 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.221 120 G C 1.749 176.595 174.900 -0.090 0.000 1.169 120 G CA 1.604 46.724 45.100 0.033 0.000 0.771 120 G HN 0.250 nan 8.290 nan 0.000 0.598 121 V N -0.324 119.483 119.914 -0.180 0.000 2.323 121 V HA 0.026 4.145 4.120 -0.000 0.000 0.244 121 V C 2.414 178.173 176.094 -0.558 0.000 1.041 121 V CA 1.617 63.610 62.300 -0.512 0.000 1.025 121 V CB -0.522 30.887 31.823 -0.689 0.000 0.656 121 V HN 0.366 nan 8.190 nan 0.000 0.451 122 F N -1.714 118.144 119.950 -0.153 0.000 2.664 122 F HA 0.220 4.747 4.527 -0.001 0.000 0.296 122 F C 1.336 176.767 175.800 -0.614 0.000 1.125 122 F CA 0.657 58.434 58.000 -0.372 0.000 1.444 122 F CB 0.136 38.872 39.000 -0.440 0.000 1.114 122 F HN 0.098 nan 8.300 nan 0.000 0.576 123 F N -1.145 118.853 119.950 0.080 0.000 2.764 123 F HA 0.246 4.773 4.527 0.000 0.000 0.310 123 F C 0.891 176.670 175.800 -0.035 0.000 1.124 123 F CA -0.472 57.550 58.000 0.036 0.000 1.252 123 F CB -0.079 38.951 39.000 0.050 0.000 1.010 123 F HN -0.364 nan 8.300 nan 0.000 0.518 124 S N 2.491 118.189 115.700 -0.004 0.000 2.560 124 S HA 0.183 4.653 4.470 -0.000 0.000 0.284 124 S C -2.293 172.242 174.600 -0.108 0.000 1.327 124 S CA -1.049 57.097 58.200 -0.091 0.000 1.055 124 S CB 0.398 63.465 63.200 -0.221 0.000 0.868 124 S HN -0.081 nan 8.310 nan 0.000 0.506 125 P HA 0.266 nan 4.420 nan 0.000 0.276 125 P C 0.626 177.826 177.300 -0.168 0.000 1.243 125 P CA 0.351 63.342 63.100 -0.182 0.000 0.768 125 P CB 0.377 31.882 31.700 -0.325 0.000 0.856 126 G N 3.013 111.772 108.800 -0.069 0.000 2.155 126 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 126 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 126 G C 0.076 175.008 174.900 0.053 0.000 0.983 126 G CA -0.108 44.997 45.100 0.008 0.000 0.676 126 G HN 0.552 nan 8.290 nan 0.000 0.528 127 I N 0.593 121.147 120.570 -0.027 0.000 2.620 127 I HA 0.229 4.399 4.170 -0.000 0.000 0.280 127 I C -1.300 174.795 176.117 -0.038 0.000 1.143 127 I CA -2.161 59.133 61.300 -0.011 0.000 1.163 127 I CB 1.544 39.420 38.000 -0.205 0.000 1.461 127 I HN -0.125 nan 8.210 nan 0.000 0.530 128 P HA -0.017 nan 4.420 nan 0.000 0.216 128 P C 0.164 177.469 177.300 0.008 0.000 1.153 128 P CA 1.139 64.139 63.100 -0.167 0.000 0.844 128 P CB 0.330 31.722 31.700 -0.514 0.000 0.787 129 L N 0.039 121.322 121.223 0.100 0.000 2.313 129 L HA 0.580 4.920 4.340 -0.000 0.000 0.283 129 L C -0.125 176.947 176.870 0.337 0.000 1.013 129 L CA -0.665 54.370 54.840 0.326 0.000 0.816 129 L CB 1.821 44.039 42.059 0.265 0.000 1.236 129 L HN -0.111 nan 8.230 nan 0.000 0.419 130 I N 2.979 123.738 120.570 0.315 0.000 2.775 130 I HA 0.496 4.665 4.170 -0.000 0.000 0.295 130 I C -1.413 174.741 176.117 0.061 0.000 1.287 130 I CA -0.468 60.924 61.300 0.153 0.000 1.029 130 I CB 2.490 40.445 38.000 -0.075 0.000 1.282 130 I HN 0.691 nan 8.210 nan 0.000 0.426 131 R N 6.316 126.918 120.500 0.170 0.000 2.514 131 R HA 0.476 4.816 4.340 -0.000 0.000 0.296 131 R C -2.007 174.400 176.300 0.179 0.000 1.012 131 R CA -0.774 55.410 56.100 0.141 0.000 0.897 131 R CB 1.719 32.098 30.300 0.132 0.000 1.184 131 R HN 0.613 nan 8.270 nan 0.000 0.440 132 L N 4.492 125.772 121.223 0.095 0.000 2.313 132 L HA 0.202 4.542 4.340 -0.000 0.000 0.282 132 L C 0.436 177.256 176.870 -0.083 0.000 1.092 132 L CA 0.596 55.328 54.840 -0.180 0.000 0.831 132 L CB 1.351 43.297 42.059 -0.189 0.000 1.159 132 L HN 0.741 nan 8.230 nan 0.000 0.442 133 Q N 2.281 121.996 119.800 -0.142 0.000 2.349 133 Q HA 0.246 4.586 4.340 -0.000 0.000 0.209 133 Q C -0.284 175.631 176.000 -0.142 0.000 0.920 133 Q CA 0.517 56.303 55.803 -0.030 0.000 0.901 133 Q CB 0.681 29.424 28.738 0.007 0.000 1.021 133 Q HN 0.701 nan 8.270 nan 0.000 0.519 134 D N -0.695 119.574 120.400 -0.218 0.000 2.706 134 D HA 0.366 5.006 4.640 -0.000 0.000 0.225 134 D C -1.445 174.691 176.300 -0.273 0.000 1.241 134 D CA -0.523 53.343 54.000 -0.224 0.000 0.784 134 D CB 1.651 42.339 40.800 -0.187 0.000 1.521 134 D HN -0.146 nan 8.370 nan 0.000 0.461 135 I N 0.427 120.827 120.570 -0.284 0.000 2.648 135 I HA 0.615 4.785 4.170 -0.000 0.000 0.304 135 I C 0.071 175.881 176.117 -0.513 0.000 1.009 135 I CA -0.662 60.374 61.300 -0.439 0.000 1.114 135 I CB 1.713 39.371 38.000 -0.569 0.000 1.293 135 I HN 0.071 nan 8.210 nan 0.000 0.449 136 R N 3.329 123.485 120.500 -0.574 0.000 2.575 136 R HA 0.684 5.024 4.340 -0.000 0.000 0.293 136 R C -1.663 174.340 176.300 -0.495 0.000 0.983 136 R CA -0.561 55.282 56.100 -0.428 0.000 0.887 136 R CB 1.872 32.069 30.300 -0.171 0.000 1.184 136 R HN 0.417 nan 8.270 nan 0.000 0.445 137 F N 2.245 122.225 119.950 0.050 0.000 2.492 137 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 137 F C -1.774 174.092 175.800 0.110 0.000 1.079 137 F CA -2.600 55.455 58.000 0.093 0.000 0.967 137 F CB 1.000 40.102 39.000 0.171 0.000 1.169 137 F HN 0.264 nan 8.300 nan 0.000 0.472 138 P HA 0.204 nan 4.420 nan 0.000 0.279 138 P C 0.356 177.796 177.300 0.233 0.000 1.252 138 P CA -0.406 62.833 63.100 0.233 0.000 0.811 138 P CB 0.910 32.750 31.700 0.233 0.000 1.035 139 E N 2.220 122.518 120.200 0.163 0.000 2.068 139 E HA -0.195 4.155 4.350 -0.000 0.000 0.207 139 E C -0.733 175.939 176.600 0.119 0.000 1.032 139 E CA 2.118 58.593 56.400 0.124 0.000 0.839 139 E CB -2.557 27.196 29.700 0.088 0.000 0.758 139 E HN 0.482 nan 8.360 nan 0.000 0.457 140 P HA -0.229 nan 4.420 nan 0.000 0.217 140 P C 1.702 179.053 177.300 0.086 0.000 1.158 140 P CA 1.629 64.790 63.100 0.101 0.000 0.887 140 P CB -0.387 31.396 31.700 0.139 0.000 0.792 141 Y N 0.182 120.460 120.300 -0.037 0.000 2.184 141 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 141 Y C 2.555 178.501 175.900 0.077 0.000 1.129 141 Y CA 1.238 59.274 58.100 -0.107 0.000 1.144 141 Y CB -0.795 37.527 38.460 -0.231 0.000 0.995 141 Y HN -0.261 nan 8.280 nan 0.000 0.513 142 L N -0.359 120.961 121.223 0.162 0.000 2.131 142 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 142 L C 2.649 179.565 176.870 0.077 0.000 1.092 142 L CA 0.985 55.884 54.840 0.098 0.000 0.759 142 L CB -0.787 41.324 42.059 0.088 0.000 0.903 142 L HN 0.322 nan 8.230 nan 0.000 0.435 143 A N -0.099 122.736 122.820 0.025 0.000 2.131 143 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 143 A C 2.433 179.967 177.584 -0.083 0.000 1.158 143 A CA 1.530 53.558 52.037 -0.014 0.000 0.665 143 A CB -0.480 18.513 19.000 -0.011 0.000 0.795 143 A HN 0.423 nan 8.150 nan 0.000 0.460 144 A N -1.026 121.685 122.820 -0.183 0.000 2.016 144 A HA 0.377 4.697 4.320 -0.000 0.000 0.217 144 A C 0.688 177.984 177.584 -0.480 0.000 1.162 144 A CA 0.235 52.036 52.037 -0.394 0.000 0.662 144 A CB -0.278 18.332 19.000 -0.650 0.000 0.812 144 A HN 0.366 nan 8.150 nan 0.000 0.450 145 F N -0.181 119.621 119.950 -0.247 0.000 2.380 145 F HA 0.430 4.957 4.527 0.000 0.000 0.319 145 F C 0.853 176.564 175.800 -0.149 0.000 1.113 145 F CA -0.601 57.278 58.000 -0.202 0.000 1.056 145 F CB 0.654 39.514 39.000 -0.233 0.000 1.289 145 F HN 0.044 nan 8.300 nan 0.000 0.515 146 D N -0.817 119.625 120.400 0.071 0.000 2.422 146 D HA 0.291 4.931 4.640 -0.000 0.000 0.218 146 D C 1.194 177.491 176.300 -0.005 0.000 1.047 146 D CA 0.832 54.832 54.000 -0.001 0.000 0.885 146 D CB 0.110 40.885 40.800 -0.042 0.000 1.035 146 D HN 0.762 nan 8.370 nan 0.000 0.502 147 G N 1.109 109.913 108.800 0.005 0.000 2.569 147 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.259 147 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.259 147 G C -2.443 172.444 174.900 -0.022 0.000 1.263 147 G CA -0.768 44.319 45.100 -0.020 0.000 0.928 147 G HN 0.123 nan 8.290 nan 0.000 0.572 148 P HA 0.390 nan 4.420 nan 0.000 0.271 148 P C 0.651 177.928 177.300 -0.039 0.000 1.218 148 P CA -0.107 63.006 63.100 0.020 0.000 0.780 148 P CB 1.037 32.786 31.700 0.081 0.000 0.901 149 R N 2.385 122.826 120.500 -0.097 0.000 2.073 149 R HA -0.007 4.332 4.340 -0.000 0.000 0.229 149 R C 1.168 177.213 176.300 -0.424 0.000 1.120 149 R CA 1.996 57.896 56.100 -0.333 0.000 0.967 149 R CB -0.731 29.232 30.300 -0.562 0.000 0.862 149 R HN 0.401 nan 8.270 nan 0.000 0.436 150 F N -0.664 119.298 119.950 0.021 0.000 2.390 150 F HA 0.431 4.957 4.527 -0.000 0.000 0.281 150 F C 1.533 177.352 175.800 0.033 0.000 1.016 150 F CA 0.683 58.699 58.000 0.026 0.000 1.286 150 F CB -0.554 38.464 39.000 0.029 0.000 1.134 150 F HN 0.333 nan 8.300 nan 0.000 0.597 151 G N 1.072 110.020 108.800 0.245 0.000 2.782 151 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.228 151 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.228 151 G C 0.611 175.596 174.900 0.141 0.000 1.372 151 G CA -0.179 45.014 45.100 0.156 0.000 0.862 151 G HN 0.258 nan 8.290 nan 0.000 0.547 152 I N 0.694 121.325 120.570 0.102 0.000 2.127 152 I HA -0.164 4.006 4.170 -0.000 0.000 0.241 152 I C 3.371 179.530 176.117 0.069 0.000 1.075 152 I CA 2.358 63.701 61.300 0.071 0.000 1.334 152 I CB -1.147 36.892 38.000 0.064 0.000 1.040 152 I HN 0.945 nan 8.210 nan 0.000 0.405 153 A N 1.551 124.427 122.820 0.094 0.000 1.893 153 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 153 A C 2.435 180.095 177.584 0.126 0.000 1.309 153 A CA 2.959 55.065 52.037 0.114 0.000 0.681 153 A CB -1.815 17.249 19.000 0.107 0.000 0.842 153 A HN 0.522 nan 8.150 nan 0.000 0.468 154 G N -1.555 107.344 108.800 0.165 0.000 2.404 154 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.215 154 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.215 154 G C 1.524 176.468 174.900 0.074 0.000 1.174 154 G CA 1.223 46.460 45.100 0.228 0.000 0.780 154 G HN 0.421 nan 8.290 nan 0.000 0.537 155 V N 0.847 120.774 119.914 0.022 0.000 2.287 155 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 155 V C 2.948 178.947 176.094 -0.158 0.000 1.053 155 V CA 2.095 64.337 62.300 -0.097 0.000 1.027 155 V CB -0.495 31.297 31.823 -0.052 0.000 0.646 155 V HN 0.318 nan 8.190 nan 0.000 0.447 156 R N -0.520 119.890 120.500 -0.150 0.000 2.091 156 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 156 R C 2.379 178.417 176.300 -0.438 0.000 1.136 156 R CA 1.702 57.600 56.100 -0.336 0.000 0.959 156 R CB -0.324 29.834 30.300 -0.236 0.000 0.856 156 R HN 0.590 nan 8.270 nan 0.000 0.437 157 E N 0.301 120.429 120.200 -0.119 0.000 2.152 157 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 157 E C 1.900 178.469 176.600 -0.052 0.000 0.983 157 E CA 0.487 56.902 56.400 0.025 0.000 0.818 157 E CB 0.233 30.033 29.700 0.168 0.000 0.758 157 E HN 0.157 nan 8.360 nan 0.000 0.467 158 R N 0.058 120.495 120.500 -0.104 0.000 2.152 158 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 158 R C 2.105 178.309 176.300 -0.161 0.000 1.117 158 R CA 0.648 56.669 56.100 -0.131 0.000 0.981 158 R CB -0.172 30.013 30.300 -0.192 0.000 0.870 158 R HN 0.278 nan 8.270 nan 0.000 0.451 159 L N 0.290 121.377 121.223 -0.227 0.000 2.616 159 L HA 0.094 4.434 4.340 -0.000 0.000 0.229 159 L C 0.223 176.939 176.870 -0.256 0.000 1.110 159 L CA -0.062 54.635 54.840 -0.238 0.000 0.884 159 L CB 0.126 42.017 42.059 -0.280 0.000 1.115 159 L HN -0.004 nan 8.230 nan 0.000 0.481 160 Q N -0.435 119.177 119.800 -0.312 0.000 2.481 160 Q HA -0.202 4.137 4.340 -0.000 0.000 0.272 160 Q C 0.208 175.892 176.000 -0.527 0.000 1.157 160 Q CA 1.011 56.641 55.803 -0.288 0.000 0.935 160 Q CB -1.814 26.919 28.738 -0.008 0.000 1.338 160 Q HN 0.482 nan 8.270 nan 0.000 0.494 161 A N 0.624 122.958 122.820 -0.810 0.000 2.280 161 A HA 0.687 5.007 4.320 -0.000 0.000 0.320 161 A C -0.480 176.607 177.584 -0.827 0.000 1.366 161 A CA -0.288 51.381 52.037 -0.613 0.000 0.938 161 A CB 0.166 18.879 19.000 -0.478 0.000 1.157 161 A HN 0.159 nan 8.150 nan 0.000 0.536 162 F N 0.879 120.778 119.950 -0.085 0.000 2.532 162 F HA 0.422 4.949 4.527 -0.001 0.000 0.321 162 F C 0.303 176.075 175.800 -0.046 0.000 1.089 162 F CA -0.518 57.447 58.000 -0.060 0.000 0.926 162 F CB 1.799 40.785 39.000 -0.023 0.000 1.168 162 F HN 0.597 nan 8.300 nan 0.000 0.459 163 D N 1.315 121.812 120.400 0.162 0.000 2.837 163 D HA -0.214 4.426 4.640 -0.000 0.000 0.230 163 D C -0.353 175.995 176.300 0.081 0.000 1.152 163 D CA 0.911 54.993 54.000 0.136 0.000 0.736 163 D CB -0.706 40.200 40.800 0.177 0.000 1.084 163 D HN 0.790 nan 8.370 nan 0.000 0.429 164 R N -2.599 117.787 120.500 -0.191 0.000 2.664 164 R HA 0.610 4.950 4.340 -0.000 0.000 0.266 164 R C -3.311 172.453 176.300 -0.894 0.000 1.046 164 R CA -1.500 54.200 56.100 -0.667 0.000 0.885 164 R CB 1.490 31.376 30.300 -0.691 0.000 1.254 164 R HN -0.241 nan 8.270 nan 0.000 0.465 165 P HA 0.120 nan 4.420 nan 0.000 0.272 165 P C -0.299 176.195 177.300 -1.342 0.000 1.240 165 P CA -0.417 61.876 63.100 -1.345 0.000 0.791 165 P CB 0.517 31.134 31.700 -1.806 0.000 0.978 166 I N 1.782 121.832 120.570 -0.866 0.000 2.352 166 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 166 I C 0.464 176.262 176.117 -0.532 0.000 1.036 166 I CA -0.615 60.280 61.300 -0.674 0.000 1.336 166 I CB -1.157 36.633 38.000 -0.350 0.000 1.407 166 I HN 0.228 nan 8.210 nan 0.000 0.497 167 F N 6.723 126.564 119.950 -0.181 0.000 2.375 167 F HA 0.355 4.881 4.527 -0.001 0.000 0.362 167 F C 0.247 176.015 175.800 -0.054 0.000 1.129 167 F CA -0.481 57.512 58.000 -0.012 0.000 1.154 167 F CB 0.220 39.207 39.000 -0.022 0.000 1.205 167 F HN 0.221 nan 8.300 nan 0.000 0.513 168 F N 1.224 121.305 119.950 0.217 0.000 2.408 168 F HA 0.753 5.280 4.527 -0.001 0.000 0.325 168 F C 0.718 176.597 175.800 0.131 0.000 1.082 168 F CA -0.874 57.211 58.000 0.140 0.000 1.032 168 F CB 1.680 40.732 39.000 0.087 0.000 1.259 168 F HN 0.414 nan 8.300 nan 0.000 0.503 169 G N 0.184 109.184 108.800 0.335 0.000 2.753 169 G HA2 0.531 4.491 3.960 -0.000 0.000 0.295 169 G HA3 0.531 4.491 3.960 -0.000 0.000 0.295 169 G C -2.212 172.901 174.900 0.356 0.000 1.437 169 G CA -0.708 44.577 45.100 0.308 0.000 1.094 169 G HN 0.475 nan 8.290 nan 0.000 0.540 170 V N 3.198 123.299 119.914 0.312 0.000 2.348 170 V HA 0.322 4.442 4.120 -0.000 0.000 0.270 170 V C 0.682 176.708 176.094 -0.114 0.000 1.037 170 V CA -0.669 61.714 62.300 0.138 0.000 0.872 170 V CB 0.807 32.688 31.823 0.095 0.000 1.002 170 V HN 0.651 nan 8.190 nan 0.000 0.464 171 I N 5.631 125.991 120.570 -0.350 0.000 2.741 171 I HA 0.097 4.267 4.170 -0.000 0.000 0.288 171 I C 0.615 176.272 176.117 -0.767 0.000 1.192 171 I CA 0.882 61.560 61.300 -1.037 0.000 1.426 171 I CB 0.040 37.717 38.000 -0.540 0.000 1.367 171 I HN 0.559 nan 8.210 nan 0.000 0.563 172 K N 7.785 127.618 120.400 -0.945 0.000 2.468 172 K HA 0.488 4.808 4.320 -0.000 0.000 0.252 172 K C -2.442 173.951 176.600 -0.344 0.000 0.932 172 K CA -1.657 54.373 56.287 -0.429 0.000 0.794 172 K CB 2.211 34.607 32.500 -0.174 0.000 1.241 172 K HN 0.289 nan 8.250 nan 0.000 0.428 173 P HA 0.080 nan 4.420 nan 0.000 0.273 173 P C -0.652 176.461 177.300 -0.312 0.000 1.250 173 P CA -0.160 62.812 63.100 -0.215 0.000 0.793 173 P CB 0.897 32.511 31.700 -0.143 0.000 1.011 174 N N 0.158 118.780 118.700 -0.130 0.000 3.170 174 N HA 0.053 4.793 4.740 -0.000 0.000 0.235 174 N C 0.495 176.155 175.510 0.249 0.000 1.037 174 N CA -0.021 53.065 53.050 0.060 0.000 1.160 174 N CB -0.142 38.460 38.487 0.191 0.000 1.606 174 N HN 0.188 nan 8.380 nan 0.000 0.580 175 I N 2.352 123.032 120.570 0.183 0.000 2.769 175 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 175 I C 1.455 177.505 176.117 -0.111 0.000 1.173 175 I CA 1.590 62.962 61.300 0.119 0.000 1.389 175 I CB -0.443 37.578 38.000 0.036 0.000 1.404 175 I HN 0.787 nan 8.210 nan 0.000 0.544 176 G N 5.887 114.506 108.800 -0.302 0.000 2.316 176 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.203 176 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.203 176 G C 0.190 175.061 174.900 -0.048 0.000 0.999 176 G CA -0.643 44.273 45.100 -0.307 0.000 0.649 176 G HN 0.429 nan 8.290 nan 0.000 0.489 177 L N 3.590 124.899 121.223 0.143 0.000 2.331 177 L HA 0.370 4.710 4.340 -0.000 0.000 0.278 177 L C -1.221 175.883 176.870 0.390 0.000 1.106 177 L CA -1.746 53.221 54.840 0.211 0.000 0.824 177 L CB 1.035 43.161 42.059 0.112 0.000 1.142 177 L HN 0.087 nan 8.230 nan 0.000 0.443 178 P HA 0.127 nan 4.420 nan 0.000 0.271 178 P C -2.362 175.089 177.300 0.252 0.000 1.244 178 P CA -1.255 61.994 63.100 0.249 0.000 0.793 178 P CB -0.059 31.733 31.700 0.154 0.000 0.984 179 P HA -0.065 nan 4.420 nan 0.000 0.229 179 P C 1.681 179.063 177.300 0.138 0.000 1.160 179 P CA 1.024 64.179 63.100 0.091 0.000 0.777 179 P CB 0.018 31.709 31.700 -0.015 0.000 0.814 180 Q N 0.436 120.309 119.800 0.121 0.000 1.994 180 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 180 Q C -0.697 175.373 176.000 0.117 0.000 0.976 180 Q CA 1.985 57.844 55.803 0.094 0.000 0.828 180 Q CB -1.757 27.017 28.738 0.058 0.000 0.894 180 Q HN 0.221 nan 8.270 nan 0.000 0.432 181 P HA -0.109 nan 4.420 nan 0.000 0.239 181 P C 1.001 178.342 177.300 0.068 0.000 1.184 181 P CA 0.709 63.852 63.100 0.071 0.000 0.760 181 P CB -0.393 31.329 31.700 0.036 0.000 0.884 182 F N 1.513 121.465 119.950 0.004 0.000 2.098 182 F HA -0.050 4.477 4.527 -0.000 0.000 0.294 182 F C 2.606 178.393 175.800 -0.022 0.000 1.107 182 F CA 1.369 59.357 58.000 -0.019 0.000 1.234 182 F CB -0.496 38.495 39.000 -0.015 0.000 1.002 182 F HN -0.076 nan 8.300 nan 0.000 0.472 183 A N -0.164 122.810 122.820 0.258 0.000 1.940 183 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 183 A C 2.098 179.795 177.584 0.189 0.000 1.176 183 A CA 1.739 53.879 52.037 0.173 0.000 0.631 183 A CB -0.651 18.412 19.000 0.106 0.000 0.814 183 A HN 0.345 nan 8.150 nan 0.000 0.446 184 E N 0.263 120.551 120.200 0.146 0.000 2.033 184 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 184 E C 2.080 178.798 176.600 0.198 0.000 1.011 184 E CA 1.443 57.936 56.400 0.155 0.000 0.815 184 E CB -0.641 29.116 29.700 0.094 0.000 0.755 184 E HN 0.698 nan 8.360 nan 0.000 0.451 185 L N 0.001 121.296 121.223 0.120 0.000 2.046 185 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 185 L C 2.532 179.520 176.870 0.195 0.000 1.077 185 L CA 1.373 56.304 54.840 0.152 0.000 0.747 185 L CB -0.909 41.153 42.059 0.006 0.000 0.896 185 L HN 0.199 nan 8.230 nan 0.000 0.432 186 G N -0.776 108.060 108.800 0.059 0.000 2.421 186 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.216 186 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.216 186 G C 1.490 176.276 174.900 -0.189 0.000 1.171 186 G CA 0.869 45.825 45.100 -0.241 0.000 0.775 186 G HN 0.361 nan 8.290 nan 0.000 0.543 187 Y N 1.451 121.825 120.300 0.124 0.000 2.114 187 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 187 Y C 3.014 179.068 175.900 0.256 0.000 1.165 187 Y CA 2.514 60.831 58.100 0.360 0.000 1.148 187 Y CB -0.269 38.335 38.460 0.240 0.000 0.972 187 Y HN 0.267 nan 8.280 nan 0.000 0.504 188 Q N -0.283 119.545 119.800 0.046 0.000 2.046 188 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 188 Q C 2.574 178.497 176.000 -0.129 0.000 0.975 188 Q CA 2.032 57.787 55.803 -0.081 0.000 0.836 188 Q CB -0.559 28.216 28.738 0.063 0.000 0.896 188 Q HN 0.663 nan 8.270 nan 0.000 0.428 189 S N -0.071 115.551 115.700 -0.129 0.000 2.382 189 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 189 S C 1.635 176.156 174.600 -0.132 0.000 1.027 189 S CA 0.599 58.656 58.200 -0.238 0.000 0.991 189 S CB -0.508 62.466 63.200 -0.376 0.000 0.823 189 S HN 0.392 nan 8.310 nan 0.000 0.469 190 W N 2.545 123.792 121.300 -0.089 0.000 2.355 190 W HA -0.017 4.642 4.660 -0.000 0.000 0.309 190 W C 2.761 179.186 176.519 -0.155 0.000 1.206 190 W CA 1.499 58.786 57.345 -0.098 0.000 1.284 190 W CB -1.545 27.866 29.460 -0.081 0.000 1.145 190 W HN 0.382 nan 8.180 nan 0.000 0.502 191 T N -0.372 114.175 114.554 -0.012 0.000 2.746 191 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 191 T C 1.995 176.654 174.700 -0.068 0.000 1.039 191 T CA 1.816 63.848 62.100 -0.112 0.000 1.142 191 T CB -0.920 67.788 68.868 -0.266 0.000 0.866 191 T HN 0.245 nan 8.240 nan 0.000 0.444 192 G N 0.528 109.277 108.800 -0.086 0.000 2.462 192 G HA2 0.205 4.164 3.960 -0.000 0.000 0.220 192 G HA3 0.205 4.164 3.960 -0.000 0.000 0.220 192 G C 1.103 175.956 174.900 -0.077 0.000 1.121 192 G CA 0.964 46.006 45.100 -0.097 0.000 0.758 192 G HN 0.892 nan 8.290 nan 0.000 0.559 193 G N -1.378 107.399 108.800 -0.038 0.000 2.276 193 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.177 193 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.177 193 G C 0.157 175.076 174.900 0.032 0.000 1.017 193 G CA -0.326 44.769 45.100 -0.009 0.000 0.750 193 G HN 0.313 nan 8.290 nan 0.000 0.506 194 L N 0.984 122.241 121.223 0.055 0.000 2.426 194 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 194 L C 0.978 177.991 176.870 0.238 0.000 1.169 194 L CA -0.209 54.703 54.840 0.120 0.000 0.836 194 L CB 0.705 42.781 42.059 0.029 0.000 1.112 194 L HN 0.066 nan 8.230 nan 0.000 0.465 195 D N 2.597 123.095 120.400 0.163 0.000 2.149 195 D HA 0.161 4.801 4.640 -0.000 0.000 0.206 195 D C 0.357 176.747 176.300 0.149 0.000 0.967 195 D CA 1.337 55.376 54.000 0.066 0.000 0.848 195 D CB 0.513 41.235 40.800 -0.131 0.000 0.998 195 D HN 0.297 nan 8.370 nan 0.000 0.474 196 I N 0.565 121.170 120.570 0.058 0.000 2.466 196 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 196 I C -0.780 175.443 176.117 0.178 0.000 1.026 196 I CA -0.914 60.461 61.300 0.125 0.000 1.078 196 I CB 2.320 40.153 38.000 -0.278 0.000 1.249 196 I HN -0.202 nan 8.210 nan 0.000 0.429 197 A N 6.878 129.846 122.820 0.247 0.000 2.271 197 A HA 0.690 5.010 4.320 -0.000 0.000 0.317 197 A C -0.439 177.286 177.584 0.236 0.000 1.245 197 A CA -0.554 51.508 52.037 0.042 0.000 0.857 197 A CB 0.662 19.325 19.000 -0.562 0.000 1.175 197 A HN 0.760 nan 8.150 nan 0.000 0.512 198 K N 2.148 122.679 120.400 0.219 0.000 2.267 198 K HA 0.575 4.894 4.320 -0.000 0.000 0.246 198 K C -1.413 175.300 176.600 0.188 0.000 0.954 198 K CA -0.844 55.559 56.287 0.193 0.000 0.824 198 K CB 1.448 34.078 32.500 0.215 0.000 1.167 198 K HN 0.411 nan 8.250 nan 0.000 0.431 199 D N 1.708 122.198 120.400 0.151 0.000 2.372 199 D HA 0.039 4.678 4.640 -0.000 0.000 0.243 199 D C -0.548 175.813 176.300 0.103 0.000 1.121 199 D CA 0.077 54.166 54.000 0.148 0.000 0.898 199 D CB 1.035 41.876 40.800 0.069 0.000 1.202 199 D HN 0.604 nan 8.370 nan 0.000 0.428 200 D N 0.169 120.626 120.400 0.095 0.000 2.400 200 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 200 D C 0.839 177.101 176.300 -0.063 0.000 1.157 200 D CA -0.017 53.990 54.000 0.012 0.000 0.889 200 D CB 0.802 41.615 40.800 0.022 0.000 1.199 200 D HN 0.180 nan 8.370 nan 0.000 0.436 201 E N 1.631 121.691 120.200 -0.235 0.000 2.097 201 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 201 E C 1.158 177.666 176.600 -0.153 0.000 1.000 201 E CA 1.500 57.706 56.400 -0.322 0.000 0.804 201 E CB -0.241 29.082 29.700 -0.628 0.000 0.740 201 E HN 0.593 nan 8.360 nan 0.000 0.454 202 M N 0.221 119.760 119.600 -0.102 0.000 2.571 202 M HA 0.201 4.681 4.480 -0.000 0.000 0.235 202 M C -0.267 176.055 176.300 0.036 0.000 1.216 202 M CA -0.230 55.053 55.300 -0.027 0.000 0.979 202 M CB 0.397 32.991 32.600 -0.010 0.000 1.616 202 M HN -0.015 nan 8.290 nan 0.000 0.469 203 L N 0.680 121.913 121.223 0.017 0.000 2.388 203 L HA 0.748 5.088 4.340 -0.000 0.000 0.267 203 L C -0.352 176.481 176.870 -0.062 0.000 0.995 203 L CA -0.074 54.775 54.840 0.015 0.000 0.864 203 L CB 0.557 42.665 42.059 0.082 0.000 1.216 203 L HN 0.128 nan 8.230 nan 0.000 0.430 204 A N 2.867 125.624 122.820 -0.105 0.000 3.934 204 A HA 0.545 4.864 4.320 -0.000 0.000 0.163 204 A C -0.777 176.692 177.584 -0.192 0.000 1.103 204 A CA -0.335 51.632 52.037 -0.116 0.000 1.170 204 A CB 0.044 18.998 19.000 -0.075 0.000 1.564 204 A HN 0.507 nan 8.150 nan 0.000 0.705 205 D N 0.534 120.838 120.400 -0.161 0.000 2.411 205 D HA 0.466 5.106 4.640 -0.000 0.000 0.225 205 D C -0.712 175.446 176.300 -0.236 0.000 1.156 205 D CA 0.367 54.257 54.000 -0.184 0.000 0.874 205 D CB 0.244 40.975 40.800 -0.114 0.000 1.034 205 D HN 0.442 nan 8.370 nan 0.000 0.502 206 V N 0.978 120.659 119.914 -0.388 0.000 3.040 206 V HA 0.362 4.482 4.120 -0.000 0.000 0.312 206 V C 1.044 176.854 176.094 -0.473 0.000 1.115 206 V CA -0.958 61.054 62.300 -0.480 0.000 0.998 206 V CB 1.879 33.230 31.823 -0.786 0.000 1.042 206 V HN 0.160 nan 8.190 nan 0.000 0.433 207 D N 1.764 121.999 120.400 -0.275 0.000 2.154 207 D HA -0.211 4.428 4.640 -0.000 0.000 0.190 207 D C 1.741 178.000 176.300 -0.068 0.000 1.003 207 D CA 3.006 56.947 54.000 -0.098 0.000 0.849 207 D CB -0.078 40.761 40.800 0.064 0.000 0.942 207 D HN 0.901 nan 8.370 nan 0.000 0.446 208 W N -0.855 120.446 121.300 0.002 0.000 2.678 208 W HA 0.231 4.891 4.660 -0.000 0.000 0.256 208 W C 0.415 176.938 176.519 0.008 0.000 1.280 208 W CA -0.096 57.254 57.345 0.008 0.000 1.345 208 W CB -0.720 28.749 29.460 0.015 0.000 1.118 208 W HN 0.062 nan 8.180 nan 0.000 0.629 209 C N 4.127 123.182 119.300 -0.408 0.000 3.392 209 C HA 0.336 4.795 4.460 -0.000 0.000 0.217 209 C C -2.063 172.701 174.990 -0.377 0.000 1.222 209 C CA -1.658 57.175 59.018 -0.308 0.000 1.200 209 C CB -0.805 26.769 27.740 -0.277 0.000 1.818 209 C HN -0.128 nan 8.230 nan 0.000 0.586 210 P HA 0.042 nan 4.420 nan 0.000 0.267 210 P C 0.776 177.971 177.300 -0.176 0.000 1.200 210 P CA 0.132 63.107 63.100 -0.209 0.000 0.772 210 P CB 0.795 32.415 31.700 -0.132 0.000 0.855 211 L N 3.434 124.568 121.223 -0.147 0.000 2.093 211 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 211 L C 2.444 179.276 176.870 -0.064 0.000 1.085 211 L CA 2.221 57.000 54.840 -0.102 0.000 0.755 211 L CB -1.524 40.490 42.059 -0.075 0.000 0.904 211 L HN 0.460 nan 8.230 nan 0.000 0.435 212 A N -0.192 122.592 122.820 -0.060 0.000 1.915 212 A HA -0.325 3.994 4.320 -0.000 0.000 0.220 212 A C 2.169 179.726 177.584 -0.044 0.000 1.198 212 A CA 2.549 54.560 52.037 -0.042 0.000 0.647 212 A CB -0.737 18.238 19.000 -0.041 0.000 0.825 212 A HN 0.698 nan 8.150 nan 0.000 0.456 213 E N -1.608 118.554 120.200 -0.063 0.000 2.102 213 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 213 E C 2.376 178.923 176.600 -0.088 0.000 0.971 213 E CA 0.129 56.492 56.400 -0.063 0.000 0.821 213 E CB -0.181 29.485 29.700 -0.056 0.000 0.777 213 E HN 0.456 nan 8.360 nan 0.000 0.460 214 R N 0.897 121.317 120.500 -0.132 0.000 2.115 214 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 214 R C 2.379 178.565 176.300 -0.190 0.000 1.133 214 R CA 1.751 57.727 56.100 -0.205 0.000 0.935 214 R CB -0.456 29.686 30.300 -0.263 0.000 0.853 214 R HN 0.153 nan 8.270 nan 0.000 0.433 215 A N 0.529 123.300 122.820 -0.081 0.000 1.933 215 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 215 A C 2.332 179.879 177.584 -0.062 0.000 1.175 215 A CA 1.717 53.751 52.037 -0.005 0.000 0.628 215 A CB -0.582 18.506 19.000 0.147 0.000 0.814 215 A HN 0.497 nan 8.150 nan 0.000 0.444 216 A N -0.005 122.785 122.820 -0.049 0.000 1.865 216 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 216 A C 2.188 179.737 177.584 -0.058 0.000 1.191 216 A CA 1.676 53.688 52.037 -0.041 0.000 0.623 216 A CB -0.653 18.327 19.000 -0.033 0.000 0.826 216 A HN 0.468 nan 8.150 nan 0.000 0.444 217 L N -1.265 119.913 121.223 -0.074 0.000 2.027 217 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 217 L C 2.616 179.449 176.870 -0.061 0.000 1.074 217 L CA 1.107 55.914 54.840 -0.054 0.000 0.745 217 L CB -0.649 41.388 42.059 -0.036 0.000 0.898 217 L HN 0.349 nan 8.230 nan 0.000 0.433 218 L N -0.289 120.825 121.223 -0.182 0.000 2.141 218 L HA -0.078 4.261 4.340 -0.000 0.000 0.209 218 L C 2.625 179.417 176.870 -0.129 0.000 1.094 218 L CA 1.164 55.863 54.840 -0.235 0.000 0.763 218 L CB -0.774 40.763 42.059 -0.870 0.000 0.908 218 L HN 0.249 nan 8.230 nan 0.000 0.437 219 G N -0.811 107.905 108.800 -0.140 0.000 2.418 219 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 219 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 219 G C 1.265 176.145 174.900 -0.034 0.000 1.158 219 G CA 0.807 45.889 45.100 -0.030 0.000 0.771 219 G HN 0.262 nan 8.290 nan 0.000 0.545 220 D N 0.939 121.325 120.400 -0.023 0.000 2.078 220 D HA -0.066 4.574 4.640 -0.000 0.000 0.193 220 D C 2.937 179.248 176.300 0.018 0.000 0.990 220 D CA 1.344 55.337 54.000 -0.011 0.000 0.827 220 D CB -0.479 40.314 40.800 -0.012 0.000 0.975 220 D HN 0.235 nan 8.370 nan 0.000 0.451 221 A N 0.522 123.396 122.820 0.090 0.000 1.997 221 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 221 A C 2.561 180.263 177.584 0.196 0.000 1.172 221 A CA 1.820 54.014 52.037 0.260 0.000 0.645 221 A CB -1.149 18.113 19.000 0.437 0.000 0.813 221 A HN 0.444 nan 8.150 nan 0.000 0.454 222 C N -1.075 118.152 119.300 -0.121 0.000 2.489 222 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 222 C C 2.830 177.585 174.990 -0.391 0.000 1.266 222 C CA 1.136 59.733 59.018 -0.702 0.000 1.707 222 C CB -1.189 26.140 27.740 -0.685 0.000 2.059 222 C HN 0.661 nan 8.230 nan 0.000 0.481 223 R N -0.110 120.276 120.500 -0.190 0.000 2.105 223 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 223 R C 2.573 178.832 176.300 -0.069 0.000 1.135 223 R CA 1.464 57.492 56.100 -0.120 0.000 0.967 223 R CB -0.352 29.905 30.300 -0.070 0.000 0.861 223 R HN 0.555 nan 8.270 nan 0.000 0.442 224 R N -0.066 120.427 120.500 -0.011 0.000 2.070 224 R HA -0.087 4.252 4.340 -0.000 0.000 0.233 224 R C 2.194 178.570 176.300 0.126 0.000 1.137 224 R CA 1.572 57.716 56.100 0.073 0.000 0.945 224 R CB -0.208 30.159 30.300 0.112 0.000 0.845 224 R HN 0.200 nan 8.270 nan 0.000 0.430 225 A N -0.614 122.284 122.820 0.129 0.000 1.969 225 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 225 A C 2.098 179.637 177.584 -0.075 0.000 1.169 225 A CA 1.599 53.656 52.037 0.033 0.000 0.635 225 A CB -0.436 18.547 19.000 -0.029 0.000 0.810 225 A HN 0.344 nan 8.150 nan 0.000 0.445 226 S N -0.601 115.009 115.700 -0.151 0.000 2.368 226 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 226 S C 2.183 176.738 174.600 -0.075 0.000 1.029 226 S CA 1.356 59.466 58.200 -0.150 0.000 0.988 226 S CB -0.353 62.732 63.200 -0.193 0.000 0.838 226 S HN 0.747 nan 8.310 nan 0.000 0.462 227 A N 0.988 123.780 122.820 -0.046 0.000 1.872 227 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 227 A C 1.914 179.497 177.584 -0.001 0.000 1.187 227 A CA 1.463 53.489 52.037 -0.019 0.000 0.614 227 A CB -0.642 18.353 19.000 -0.008 0.000 0.826 227 A HN 0.616 nan 8.150 nan 0.000 0.442 228 E N -0.727 119.485 120.200 0.019 0.000 2.204 228 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 228 E C 1.903 178.513 176.600 0.015 0.000 0.989 228 E CA 1.510 57.931 56.400 0.034 0.000 0.824 228 E CB -0.092 29.656 29.700 0.080 0.000 0.756 228 E HN 0.840 nan 8.360 nan 0.000 0.477 229 T N -4.429 110.123 114.554 -0.004 0.000 3.022 229 T HA 0.270 4.619 4.350 -0.000 0.000 0.250 229 T C 1.605 176.299 174.700 -0.009 0.000 1.060 229 T CA 0.365 62.460 62.100 -0.008 0.000 1.013 229 T CB 0.795 69.652 68.868 -0.018 0.000 0.982 229 T HN 0.214 nan 8.240 nan 0.000 0.508 230 G N 0.956 109.747 108.800 -0.016 0.000 2.184 230 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 230 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 230 G C 0.048 174.935 174.900 -0.020 0.000 0.975 230 G CA 0.210 45.301 45.100 -0.014 0.000 0.642 230 G HN 0.788 nan 8.290 nan 0.000 0.536 231 V N 2.289 122.183 119.914 -0.032 0.000 2.513 231 V HA 0.557 4.676 4.120 -0.000 0.000 0.299 231 V C -1.678 174.370 176.094 -0.077 0.000 1.035 231 V CA -1.866 60.409 62.300 -0.041 0.000 0.889 231 V CB 1.910 33.714 31.823 -0.031 0.000 0.988 231 V HN 0.151 nan 8.190 nan 0.000 0.440 232 P HA 0.153 nan 4.420 nan 0.000 0.263 232 P C -0.837 176.366 177.300 -0.160 0.000 1.195 232 P CA 0.016 63.043 63.100 -0.121 0.000 0.762 232 P CB 0.598 32.234 31.700 -0.107 0.000 0.799 233 K N 3.199 123.453 120.400 -0.244 0.000 2.221 233 K HA 0.646 4.965 4.320 -0.000 0.000 0.243 233 K C 0.040 176.444 176.600 -0.327 0.000 0.968 233 K CA -0.974 55.098 56.287 -0.359 0.000 0.846 233 K CB 2.027 34.070 32.500 -0.761 0.000 1.141 233 K HN 0.467 nan 8.250 nan 0.000 0.434 234 I N 1.469 121.947 120.570 -0.152 0.000 2.569 234 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 234 I C -1.373 174.971 176.117 0.378 0.000 1.088 234 I CA -1.095 60.216 61.300 0.019 0.000 1.047 234 I CB 1.940 39.924 38.000 -0.027 0.000 1.237 234 I HN 0.466 nan 8.210 nan 0.000 0.421 235 Y N 7.623 128.055 120.300 0.220 0.000 2.353 235 Y HA 0.494 5.044 4.550 -0.000 0.000 0.340 235 Y C -1.083 174.937 175.900 0.200 0.000 0.972 235 Y CA -0.988 57.340 58.100 0.379 0.000 1.157 235 Y CB 1.245 39.921 38.460 0.359 0.000 1.157 235 Y HN 0.435 nan 8.280 nan 0.000 0.495 236 L N 7.323 128.372 121.223 -0.290 0.000 2.288 236 L HA 0.685 5.025 4.340 -0.000 0.000 0.283 236 L C -0.463 176.042 176.870 -0.608 0.000 1.072 236 L CA -0.386 54.262 54.840 -0.321 0.000 0.862 236 L CB -0.207 41.855 42.059 0.005 0.000 1.245 236 L HN 0.759 nan 8.230 nan 0.000 0.432 237 A N 4.075 126.472 122.820 -0.705 0.000 2.301 237 A HA 0.396 4.716 4.320 -0.000 0.000 0.298 237 A C -0.040 177.442 177.584 -0.169 0.000 1.185 237 A CA -0.544 51.190 52.037 -0.505 0.000 0.830 237 A CB 0.027 18.814 19.000 -0.355 0.000 1.112 237 A HN 0.787 nan 8.150 nan 0.000 0.508 238 N N 1.660 120.307 118.700 -0.088 0.000 2.411 238 N HA 0.368 5.108 4.740 -0.000 0.000 0.259 238 N C 0.152 175.647 175.510 -0.026 0.000 1.103 238 N CA -0.274 52.758 53.050 -0.030 0.000 0.954 238 N CB 0.215 38.691 38.487 -0.018 0.000 1.085 238 N HN 0.567 nan 8.380 nan 0.000 0.485 239 I N -0.050 120.519 120.570 -0.002 0.000 3.762 239 I HA 0.343 4.513 4.170 -0.000 0.000 0.333 239 I C -0.376 175.748 176.117 0.011 0.000 1.566 239 I CA -0.643 60.658 61.300 0.003 0.000 1.129 239 I CB 0.351 38.364 38.000 0.022 0.000 1.218 239 I HN 0.181 nan 8.210 nan 0.000 0.456 240 T N 2.576 117.135 114.554 0.008 0.000 2.829 240 T HA 0.176 4.525 4.350 -0.000 0.000 0.293 240 T C -0.199 174.496 174.700 -0.008 0.000 0.970 240 T CA 0.694 62.799 62.100 0.008 0.000 1.168 240 T CB 0.370 69.239 68.868 0.002 0.000 0.911 240 T HN 0.499 nan 8.240 nan 0.000 0.535 241 D N 0.782 121.179 120.400 -0.005 0.000 2.769 241 D HA 0.054 4.693 4.640 -0.000 0.000 0.309 241 D C -0.992 175.301 176.300 -0.012 0.000 1.315 241 D CA -0.605 53.386 54.000 -0.014 0.000 0.780 241 D CB 1.310 42.098 40.800 -0.020 0.000 1.312 241 D HN 0.276 nan 8.370 nan 0.000 0.437 242 E N 0.663 120.853 120.200 -0.016 0.000 2.452 242 E HA 0.025 4.375 4.350 -0.000 0.000 0.261 242 E C 1.374 177.962 176.600 -0.019 0.000 0.987 242 E CA 0.127 56.517 56.400 -0.017 0.000 0.926 242 E CB 1.151 30.841 29.700 -0.017 0.000 0.934 242 E HN 0.223 nan 8.360 nan 0.000 0.452 243 V N 3.263 123.165 119.914 -0.019 0.000 2.317 243 V HA -0.362 3.758 4.120 -0.000 0.000 0.251 243 V C 1.799 177.872 176.094 -0.034 0.000 1.065 243 V CA 2.572 64.858 62.300 -0.024 0.000 1.049 243 V CB -0.710 31.099 31.823 -0.023 0.000 0.651 243 V HN 0.682 nan 8.190 nan 0.000 0.450 244 D N -0.104 120.277 120.400 -0.033 0.000 2.144 244 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 244 D C 2.078 178.351 176.300 -0.044 0.000 0.984 244 D CA 1.098 55.075 54.000 -0.039 0.000 0.834 244 D CB -0.504 40.277 40.800 -0.032 0.000 0.955 244 D HN 0.315 nan 8.370 nan 0.000 0.465 245 R N -0.093 120.387 120.500 -0.034 0.000 2.307 245 R HA 0.162 4.501 4.340 -0.000 0.000 0.199 245 R C 2.148 178.430 176.300 -0.030 0.000 1.000 245 R CA -0.059 56.022 56.100 -0.031 0.000 1.023 245 R CB -0.194 30.091 30.300 -0.024 0.000 0.908 245 R HN 0.336 nan 8.270 nan 0.000 0.473 246 L N -0.116 121.086 121.223 -0.035 0.000 2.042 246 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 246 L C 2.138 178.988 176.870 -0.034 0.000 1.076 246 L CA 1.572 56.397 54.840 -0.025 0.000 0.749 246 L CB -0.546 41.495 42.059 -0.030 0.000 0.893 246 L HN 0.155 nan 8.230 nan 0.000 0.432 247 T N -1.186 113.299 114.554 -0.114 0.000 2.777 247 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 247 T C 1.772 176.432 174.700 -0.066 0.000 1.040 247 T CA 1.313 63.277 62.100 -0.226 0.000 1.141 247 T CB -0.083 68.527 68.868 -0.430 0.000 0.868 247 T HN 0.363 nan 8.240 nan 0.000 0.444 248 E N 0.649 120.826 120.200 -0.038 0.000 2.058 248 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 248 E C 2.124 178.746 176.600 0.036 0.000 0.997 248 E CA 1.009 57.412 56.400 0.006 0.000 0.801 248 E CB -0.169 29.525 29.700 -0.010 0.000 0.746 248 E HN 0.450 nan 8.360 nan 0.000 0.450 249 L N 0.392 121.633 121.223 0.031 0.000 2.109 249 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 249 L C 2.868 179.774 176.870 0.060 0.000 1.086 249 L CA 1.077 55.935 54.840 0.031 0.000 0.760 249 L CB -0.861 41.206 42.059 0.014 0.000 0.910 249 L HN 0.361 nan 8.230 nan 0.000 0.437 250 H N 1.155 120.234 119.070 0.016 0.000 2.289 250 H HA -0.237 4.319 4.556 -0.000 0.000 0.294 250 H C 1.543 176.911 175.328 0.067 0.000 1.095 250 H CA 2.489 58.569 56.048 0.053 0.000 1.256 250 H CB 0.082 29.902 29.762 0.097 0.000 1.359 250 H HN 0.334 nan 8.280 nan 0.000 0.487 251 D N 0.298 120.796 120.400 0.163 0.000 2.117 251 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 251 D C 2.636 178.936 176.300 -0.000 0.000 0.982 251 D CA 0.979 55.039 54.000 0.101 0.000 0.828 251 D CB -0.502 40.411 40.800 0.188 0.000 0.967 251 D HN 0.231 nan 8.370 nan 0.000 0.464 252 V N 1.416 121.336 119.914 0.010 0.000 2.287 252 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 252 V C 2.484 178.568 176.094 -0.016 0.000 1.053 252 V CA 2.017 64.315 62.300 -0.003 0.000 1.027 252 V CB -0.807 31.015 31.823 -0.001 0.000 0.646 252 V HN 0.213 nan 8.190 nan 0.000 0.447 253 A N -0.554 122.247 122.820 -0.032 0.000 1.855 253 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 253 A C 2.397 179.956 177.584 -0.041 0.000 1.191 253 A CA 2.043 54.069 52.037 -0.018 0.000 0.613 253 A CB -0.794 18.184 19.000 -0.037 0.000 0.829 253 A HN 0.299 nan 8.150 nan 0.000 0.442 254 V N 0.060 119.887 119.914 -0.145 0.000 2.255 254 V HA -0.294 3.825 4.120 -0.000 0.000 0.247 254 V C 3.067 179.123 176.094 -0.063 0.000 1.051 254 V CA 2.088 64.299 62.300 -0.148 0.000 1.018 254 V CB -1.247 30.393 31.823 -0.305 0.000 0.641 254 V HN 0.628 nan 8.190 nan 0.000 0.445 255 A N -0.264 122.528 122.820 -0.048 0.000 2.032 255 A HA -0.243 4.076 4.320 -0.000 0.000 0.221 255 A C 1.919 179.499 177.584 -0.007 0.000 1.165 255 A CA 2.027 54.054 52.037 -0.016 0.000 0.645 255 A CB -0.563 18.434 19.000 -0.005 0.000 0.807 255 A HN 0.650 nan 8.150 nan 0.000 0.453 256 N N -1.497 117.203 118.700 0.001 0.000 2.280 256 N HA 0.171 4.911 4.740 -0.000 0.000 0.192 256 N C 0.945 176.473 175.510 0.031 0.000 1.109 256 N CA 0.900 53.958 53.050 0.014 0.000 0.855 256 N CB 0.675 39.175 38.487 0.022 0.000 0.974 256 N HN 0.621 nan 8.380 nan 0.000 0.482 257 G N 0.406 109.226 108.800 0.034 0.000 2.154 257 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.186 257 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.186 257 G C 0.143 175.112 174.900 0.114 0.000 1.000 257 G CA -0.056 45.071 45.100 0.044 0.000 0.664 257 G HN 0.456 nan 8.290 nan 0.000 0.513 258 A N 0.512 123.412 122.820 0.134 0.000 2.492 258 A HA 0.630 4.950 4.320 -0.000 0.000 0.254 258 A C 1.627 179.218 177.584 0.013 0.000 1.091 258 A CA 1.383 53.498 52.037 0.131 0.000 0.768 258 A CB 0.592 19.606 19.000 0.023 0.000 1.028 258 A HN 1.463 nan 8.150 nan 0.000 0.498 259 G N 1.410 110.215 108.800 0.009 0.000 2.539 259 G HA2 0.434 4.393 3.960 -0.000 0.000 0.215 259 G HA3 0.434 4.393 3.960 -0.000 0.000 0.215 259 G C 0.532 175.384 174.900 -0.080 0.000 1.141 259 G CA 1.067 46.141 45.100 -0.042 0.000 0.806 259 G HN 1.542 nan 8.290 nan 0.000 0.533 260 A N -0.917 121.857 122.820 -0.076 0.000 2.609 260 A HA 0.751 5.071 4.320 -0.000 0.000 0.291 260 A C -1.604 175.950 177.584 -0.049 0.000 1.096 260 A CA -0.605 51.400 52.037 -0.054 0.000 0.684 260 A CB 0.994 19.975 19.000 -0.032 0.000 1.282 260 A HN 0.136 nan 8.150 nan 0.000 0.412 261 L N 0.923 122.157 121.223 0.019 0.000 2.346 261 L HA 0.666 5.006 4.340 -0.000 0.000 0.276 261 L C -0.939 175.984 176.870 0.089 0.000 1.006 261 L CA -0.858 54.002 54.840 0.033 0.000 0.817 261 L CB 1.822 43.931 42.059 0.082 0.000 1.272 261 L HN 0.700 nan 8.230 nan 0.000 0.421 262 L N 4.225 125.487 121.223 0.066 0.000 2.313 262 L HA 0.683 5.022 4.340 -0.000 0.000 0.283 262 L C -0.996 175.946 176.870 0.120 0.000 1.013 262 L CA 0.143 55.046 54.840 0.104 0.000 0.816 262 L CB 1.316 43.421 42.059 0.077 0.000 1.236 262 L HN 0.411 nan 8.230 nan 0.000 0.419 263 I N 4.076 124.756 120.570 0.184 0.000 2.545 263 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 263 I C -0.590 175.606 176.117 0.132 0.000 1.040 263 I CA -0.756 60.652 61.300 0.181 0.000 1.068 263 I CB 1.875 40.047 38.000 0.287 0.000 1.251 263 I HN 0.525 nan 8.210 nan 0.000 0.424 264 N N 4.802 123.551 118.700 0.082 0.000 2.421 264 N HA 0.195 4.935 4.740 -0.000 0.000 0.260 264 N C 0.890 176.444 175.510 0.074 0.000 1.173 264 N CA -0.027 53.053 53.050 0.049 0.000 0.960 264 N CB 1.433 39.924 38.487 0.007 0.000 1.273 264 N HN 0.787 nan 8.380 nan 0.000 0.497 265 A N 3.422 126.280 122.820 0.062 0.000 1.892 265 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 265 A C 2.077 179.735 177.584 0.122 0.000 1.188 265 A CA 1.286 53.402 52.037 0.132 0.000 0.631 265 A CB -0.197 18.802 19.000 -0.002 0.000 0.822 265 A HN 0.475 nan 8.150 nan 0.000 0.447 266 M N -0.839 118.814 119.600 0.089 0.000 2.064 266 M HA -0.032 4.448 4.480 -0.000 0.000 0.260 266 M C -0.166 176.078 176.300 -0.094 0.000 1.073 266 M CA 1.454 56.776 55.300 0.037 0.000 1.124 266 M CB -2.447 30.221 32.600 0.112 0.000 1.326 266 M HN 0.120 nan 8.290 nan 0.000 0.410 267 P HA -0.138 nan 4.420 nan 0.000 0.216 267 P C 1.688 178.944 177.300 -0.074 0.000 1.154 267 P CA 1.727 64.746 63.100 -0.136 0.000 0.865 267 P CB -0.405 31.259 31.700 -0.061 0.000 0.789 268 V N -4.589 115.315 119.914 -0.017 0.000 2.591 268 V HA 0.292 4.412 4.120 -0.000 0.000 0.249 268 V C 1.007 177.101 176.094 0.000 0.000 1.053 268 V CA 0.837 63.138 62.300 0.001 0.000 1.068 268 V CB -1.559 30.284 31.823 0.034 0.000 0.689 268 V HN 0.308 nan 8.190 nan 0.000 0.462 269 G N -0.538 108.269 108.800 0.012 0.000 3.067 269 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.686 269 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.686 269 G C -0.300 174.635 174.900 0.057 0.000 1.119 269 G CA -0.139 44.972 45.100 0.018 0.000 0.790 269 G HN 0.318 nan 8.290 nan 0.000 0.605 270 L N 1.316 122.584 121.223 0.075 0.000 2.131 270 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 270 L C 3.053 179.954 176.870 0.052 0.000 1.092 270 L CA 1.991 56.891 54.840 0.099 0.000 0.759 270 L CB -0.447 41.676 42.059 0.107 0.000 0.903 270 L HN 0.740 nan 8.230 nan 0.000 0.435 271 S N -0.178 115.544 115.700 0.037 0.000 2.359 271 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 271 S C 2.167 176.767 174.600 0.000 0.000 1.035 271 S CA 1.346 59.559 58.200 0.021 0.000 1.018 271 S CB -0.066 63.145 63.200 0.017 0.000 0.876 271 S HN 0.470 nan 8.310 nan 0.000 0.448 272 A N 0.967 123.787 122.820 0.001 0.000 1.873 272 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 272 A C 2.362 179.928 177.584 -0.031 0.000 1.193 272 A CA 2.108 54.138 52.037 -0.012 0.000 0.629 272 A CB -1.337 17.663 19.000 -0.000 0.000 0.826 272 A HN 0.460 nan 8.150 nan 0.000 0.447 273 V N -0.009 119.886 119.914 -0.031 0.000 2.282 273 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 273 V C 2.682 178.682 176.094 -0.157 0.000 1.057 273 V CA 2.427 64.651 62.300 -0.127 0.000 1.032 273 V CB -0.792 30.903 31.823 -0.214 0.000 0.645 273 V HN 0.608 nan 8.190 nan 0.000 0.447 274 R N -0.686 119.753 120.500 -0.101 0.000 2.127 274 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 274 R C 2.290 178.550 176.300 -0.066 0.000 1.134 274 R CA 1.963 58.018 56.100 -0.074 0.000 0.975 274 R CB -0.249 30.043 30.300 -0.014 0.000 0.865 274 R HN 0.546 nan 8.270 nan 0.000 0.447 275 M N 0.221 119.785 119.600 -0.059 0.000 2.236 275 M HA -0.134 4.346 4.480 -0.000 0.000 0.266 275 M C 1.876 178.138 176.300 -0.062 0.000 1.070 275 M CA 1.264 56.531 55.300 -0.055 0.000 1.137 275 M CB -0.049 32.521 32.600 -0.051 0.000 1.378 275 M HN 0.203 nan 8.290 nan 0.000 0.426 276 L N 1.155 122.332 121.223 -0.076 0.000 2.093 276 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 276 L C 2.498 179.329 176.870 -0.064 0.000 1.085 276 L CA 1.773 56.567 54.840 -0.077 0.000 0.755 276 L CB -0.814 41.204 42.059 -0.068 0.000 0.904 276 L HN 0.346 nan 8.230 nan 0.000 0.435 277 R N 0.231 120.678 120.500 -0.088 0.000 2.105 277 R HA -0.190 4.149 4.340 -0.000 0.000 0.239 277 R C 2.079 178.340 176.300 -0.064 0.000 1.135 277 R CA 1.835 57.884 56.100 -0.085 0.000 0.967 277 R CB -0.438 29.791 30.300 -0.118 0.000 0.861 277 R HN 0.330 nan 8.270 nan 0.000 0.442 278 K N -1.094 119.275 120.400 -0.051 0.000 2.280 278 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 278 K C 1.673 178.258 176.600 -0.024 0.000 1.047 278 K CA 1.393 57.655 56.287 -0.042 0.000 0.942 278 K CB -0.128 32.353 32.500 -0.033 0.000 0.739 278 K HN 0.392 nan 8.250 nan 0.000 0.457 279 H N -0.794 118.188 119.070 -0.147 0.000 3.017 279 H HA 0.307 4.863 4.556 -0.000 0.000 0.255 279 H C -0.256 174.881 175.328 -0.318 0.000 0.990 279 H CA 0.085 56.014 56.048 -0.198 0.000 1.205 279 H CB 0.552 30.191 29.762 -0.205 0.000 1.460 279 H HN 0.043 nan 8.280 nan 0.000 0.478 280 A N 0.934 123.649 122.820 -0.175 0.000 2.407 280 A HA 0.296 4.616 4.320 -0.000 0.000 0.248 280 A C 1.393 179.020 177.584 0.071 0.000 1.082 280 A CA 0.461 52.396 52.037 -0.170 0.000 0.785 280 A CB 0.164 19.194 19.000 0.049 0.000 1.020 280 A HN 0.519 nan 8.150 nan 0.000 0.489 281 T N -1.261 113.508 114.554 0.358 0.000 2.971 281 T HA 0.330 4.680 4.350 -0.000 0.000 0.252 281 T C 0.501 175.406 174.700 0.342 0.000 1.022 281 T CA 0.705 62.972 62.100 0.278 0.000 0.980 281 T CB -0.924 68.069 68.868 0.208 0.000 1.044 281 T HN 1.378 nan 8.240 nan 0.000 0.501 282 V N -1.598 118.502 119.914 0.310 0.000 3.103 282 V HA 0.783 4.902 4.120 -0.000 0.000 0.318 282 V C -3.139 173.043 176.094 0.146 0.000 1.114 282 V CA -3.268 59.099 62.300 0.111 0.000 1.020 282 V CB 1.279 33.100 31.823 -0.002 0.000 1.085 282 V HN -0.138 nan 8.190 nan 0.000 0.446 283 P HA 0.295 nan 4.420 nan 0.000 0.267 283 P C -0.852 176.530 177.300 0.135 0.000 1.200 283 P CA 0.157 63.256 63.100 -0.003 0.000 0.772 283 P CB 0.246 31.820 31.700 -0.209 0.000 0.855 284 L N 3.211 124.560 121.223 0.211 0.000 2.317 284 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 284 L C -0.034 177.069 176.870 0.388 0.000 1.024 284 L CA -0.649 54.334 54.840 0.237 0.000 0.810 284 L CB 1.031 43.146 42.059 0.094 0.000 1.240 284 L HN 0.228 nan 8.230 nan 0.000 0.427 285 I N 2.239 123.046 120.570 0.395 0.000 2.466 285 I HA 0.503 4.672 4.170 -0.000 0.000 0.289 285 I C -0.086 176.069 176.117 0.063 0.000 1.026 285 I CA -0.058 61.386 61.300 0.240 0.000 1.078 285 I CB 2.096 40.172 38.000 0.127 0.000 1.249 285 I HN 0.603 nan 8.210 nan 0.000 0.429 286 A N 5.464 128.034 122.820 -0.416 0.000 2.290 286 A HA 0.571 4.891 4.320 -0.000 0.000 0.310 286 A C -0.499 176.882 177.584 -0.340 0.000 1.202 286 A CA -0.316 51.259 52.037 -0.770 0.000 0.837 286 A CB 0.292 18.337 19.000 -1.592 0.000 1.139 286 A HN 0.710 nan 8.150 nan 0.000 0.509 287 H N 1.211 120.153 119.070 -0.214 0.000 2.497 287 H HA 0.468 5.024 4.556 -0.000 0.000 0.348 287 H C 0.003 175.281 175.328 -0.083 0.000 1.335 287 H CA -0.136 55.822 56.048 -0.151 0.000 1.395 287 H CB 1.146 30.788 29.762 -0.200 0.000 1.658 287 H HN 0.702 nan 8.280 nan 0.000 0.613 288 F N -0.890 119.176 119.950 0.194 0.000 2.654 288 F HA 0.404 4.931 4.527 0.000 0.000 0.303 288 F C -2.339 173.487 175.800 0.044 0.000 1.099 288 F CA -1.598 56.431 58.000 0.048 0.000 1.270 288 F CB -0.740 38.247 39.000 -0.022 0.000 1.024 288 F HN 0.095 nan 8.300 nan 0.000 0.548 289 P HA -0.040 nan 4.420 nan 0.000 0.265 289 P C 0.264 177.678 177.300 0.190 0.000 1.193 289 P CA 0.794 63.881 63.100 -0.021 0.000 0.765 289 P CB 0.996 32.657 31.700 -0.065 0.000 0.823 290 F N 1.260 121.191 119.950 -0.031 0.000 2.424 290 F HA -0.333 4.194 4.527 -0.000 0.000 0.678 290 F C 1.726 177.416 175.800 -0.182 0.000 0.491 290 F CA 1.218 59.194 58.000 -0.039 0.000 1.153 290 F CB -1.828 37.191 39.000 0.032 0.000 1.945 290 F HN 0.199 nan 8.300 nan 0.000 0.265 291 I N 1.127 121.695 120.570 -0.004 0.000 2.181 291 I HA -0.434 3.736 4.170 -0.000 0.000 0.247 291 I C 2.595 178.259 176.117 -0.755 0.000 1.081 291 I CA 1.847 62.867 61.300 -0.467 0.000 1.340 291 I CB -0.904 37.013 38.000 -0.138 0.000 1.036 291 I HN 0.488 nan 8.210 nan 0.000 0.417 292 A N 0.777 123.375 122.820 -0.371 0.000 1.917 292 A HA -0.262 4.057 4.320 -0.000 0.000 0.219 292 A C 2.578 179.947 177.584 -0.359 0.000 1.182 292 A CA 2.186 54.041 52.037 -0.304 0.000 0.633 292 A CB -0.958 17.953 19.000 -0.148 0.000 0.819 292 A HN 0.492 nan 8.150 nan 0.000 0.448 293 A N -0.531 122.012 122.820 -0.461 0.000 1.948 293 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 293 A C 1.736 179.223 177.584 -0.161 0.000 1.177 293 A CA 1.829 53.647 52.037 -0.365 0.000 0.636 293 A CB -0.778 17.863 19.000 -0.599 0.000 0.815 293 A HN 1.212 nan 8.150 nan 0.000 0.449 294 F N -1.668 118.237 119.950 -0.075 0.000 2.682 294 F HA 0.331 4.858 4.527 -0.000 0.000 0.308 294 F C 1.515 177.327 175.800 0.020 0.000 1.093 294 F CA 0.453 58.453 58.000 -0.000 0.000 1.244 294 F CB -0.408 38.608 39.000 0.027 0.000 1.052 294 F HN 0.116 nan 8.300 nan 0.000 0.573 295 S N -0.552 115.077 115.700 -0.119 0.000 2.520 295 S HA 0.165 4.635 4.470 -0.000 0.000 0.219 295 S C 1.895 176.451 174.600 -0.074 0.000 1.028 295 S CA -0.024 58.149 58.200 -0.045 0.000 0.921 295 S CB -0.226 62.893 63.200 -0.136 0.000 0.844 295 S HN 0.404 nan 8.310 nan 0.000 0.495 296 R N 0.926 121.376 120.500 -0.083 0.000 2.061 296 R HA 0.172 4.512 4.340 -0.000 0.000 0.230 296 R C 0.503 176.781 176.300 -0.037 0.000 1.140 296 R CA 0.661 56.714 56.100 -0.079 0.000 0.940 296 R CB -0.385 29.868 30.300 -0.077 0.000 0.839 296 R HN 0.301 nan 8.270 nan 0.000 0.429 297 L N 1.816 123.049 121.223 0.018 0.000 2.559 297 L HA -0.027 4.313 4.340 -0.000 0.000 0.274 297 L C 1.315 178.222 176.870 0.062 0.000 1.205 297 L CA 0.531 55.404 54.840 0.054 0.000 0.907 297 L CB 1.003 43.128 42.059 0.110 0.000 1.153 297 L HN 0.475 nan 8.230 nan 0.000 0.490 298 A N 4.206 127.054 122.820 0.047 0.000 2.066 298 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 298 A C 1.502 179.139 177.584 0.089 0.000 1.157 298 A CA 1.215 53.278 52.037 0.043 0.000 0.670 298 A CB -0.341 18.683 19.000 0.040 0.000 0.804 298 A HN 0.905 nan 8.150 nan 0.000 0.453 299 N N -2.540 116.237 118.700 0.129 0.000 2.236 299 N HA 0.081 4.821 4.740 -0.000 0.000 0.196 299 N C -0.380 175.299 175.510 0.282 0.000 1.114 299 N CA -0.007 53.147 53.050 0.173 0.000 0.859 299 N CB 0.129 38.707 38.487 0.152 0.000 0.982 299 N HN 0.423 nan 8.380 nan 0.000 0.493 300 Y N -0.339 120.026 120.300 0.109 0.000 2.513 300 Y HA 0.497 5.047 4.550 -0.001 0.000 0.340 300 Y C 0.459 176.469 175.900 0.184 0.000 1.055 300 Y CA 0.488 58.678 58.100 0.149 0.000 1.020 300 Y CB 1.451 39.974 38.460 0.105 0.000 1.301 300 Y HN 0.269 nan 8.280 nan 0.000 0.453 301 G N 3.528 112.092 108.800 -0.394 0.000 2.516 301 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 301 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 301 G C -1.625 173.353 174.900 0.129 0.000 1.165 301 G CA -0.343 44.694 45.100 -0.105 0.000 1.013 301 G HN 0.789 nan 8.290 nan 0.000 0.590 302 I N 0.906 121.618 120.570 0.237 0.000 2.478 302 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 302 I C 0.173 176.458 176.117 0.281 0.000 1.042 302 I CA -0.955 60.490 61.300 0.242 0.000 1.067 302 I CB 1.904 40.042 38.000 0.229 0.000 1.233 302 I HN 0.681 nan 8.210 nan 0.000 0.431 303 H N 4.869 123.993 119.070 0.090 0.000 3.001 303 H HA 0.011 4.567 4.556 -0.001 0.000 0.334 303 H C 1.146 176.511 175.328 0.063 0.000 1.034 303 H CA 0.460 56.537 56.048 0.048 0.000 1.420 303 H CB 1.298 31.062 29.762 0.003 0.000 1.405 303 H HN 0.772 nan 8.280 nan 0.000 0.593 304 S N 5.025 120.963 115.700 0.396 0.000 2.419 304 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 304 S C 2.104 176.810 174.600 0.176 0.000 1.016 304 S CA 0.909 59.238 58.200 0.216 0.000 0.974 304 S CB -0.093 63.130 63.200 0.039 0.000 0.786 304 S HN 0.769 nan 8.310 nan 0.000 0.492 305 R N 1.645 122.251 120.500 0.177 0.000 2.103 305 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 305 R C 1.900 178.165 176.300 -0.059 0.000 1.142 305 R CA 1.943 57.975 56.100 -0.113 0.000 0.960 305 R CB -0.995 28.985 30.300 -0.533 0.000 0.858 305 R HN 0.398 nan 8.270 nan 0.000 0.439 306 V N 1.549 121.445 119.914 -0.031 0.000 2.332 306 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 306 V C 2.660 178.803 176.094 0.083 0.000 1.055 306 V CA 1.842 64.152 62.300 0.016 0.000 1.038 306 V CB -0.434 31.405 31.823 0.027 0.000 0.651 306 V HN 0.344 nan 8.190 nan 0.000 0.450 307 M N -0.268 119.410 119.600 0.130 0.000 2.086 307 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 307 M C 2.315 178.674 176.300 0.099 0.000 1.067 307 M CA 2.081 57.473 55.300 0.153 0.000 1.116 307 M CB -1.812 30.915 32.600 0.211 0.000 1.348 307 M HN 0.410 nan 8.290 nan 0.000 0.407 308 T N 0.443 115.033 114.554 0.061 0.000 2.720 308 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 308 T C 2.015 176.744 174.700 0.049 0.000 1.037 308 T CA 0.973 63.094 62.100 0.034 0.000 1.144 308 T CB -0.134 68.735 68.868 0.003 0.000 0.864 308 T HN 0.248 nan 8.240 nan 0.000 0.444 309 R N 0.941 121.474 120.500 0.055 0.000 2.097 309 R HA -0.056 4.284 4.340 -0.000 0.000 0.236 309 R C 2.524 178.857 176.300 0.056 0.000 1.135 309 R CA 1.332 57.481 56.100 0.082 0.000 0.934 309 R CB -1.248 29.143 30.300 0.152 0.000 0.846 309 R HN 0.417 nan 8.270 nan 0.000 0.431 310 L N 0.818 122.083 121.223 0.070 0.000 2.042 310 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 310 L C 2.737 179.637 176.870 0.049 0.000 1.076 310 L CA 1.481 56.333 54.840 0.020 0.000 0.749 310 L CB -0.516 41.582 42.059 0.065 0.000 0.893 310 L HN 0.255 nan 8.230 nan 0.000 0.432 311 Q N -0.405 119.470 119.800 0.125 0.000 2.084 311 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 311 Q C 2.356 178.527 176.000 0.285 0.000 0.978 311 Q CA 1.655 57.619 55.803 0.268 0.000 0.844 311 Q CB -0.139 28.698 28.738 0.166 0.000 0.898 311 Q HN 0.350 nan 8.270 nan 0.000 0.426 312 R N 0.468 121.052 120.500 0.141 0.000 2.070 312 R HA -0.140 4.200 4.340 -0.000 0.000 0.233 312 R C 2.206 178.515 176.300 0.015 0.000 1.137 312 R CA 1.120 57.278 56.100 0.097 0.000 0.945 312 R CB -0.358 29.975 30.300 0.054 0.000 0.845 312 R HN 0.282 nan 8.270 nan 0.000 0.430 313 L N 0.406 121.579 121.223 -0.083 0.000 2.083 313 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 313 L C 2.347 179.111 176.870 -0.176 0.000 1.083 313 L CA 1.759 56.446 54.840 -0.255 0.000 0.752 313 L CB -0.615 41.124 42.059 -0.533 0.000 0.899 313 L HN 0.441 nan 8.230 nan 0.000 0.433 314 A N -1.138 121.634 122.820 -0.080 0.000 1.929 314 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 314 A C 1.718 179.241 177.584 -0.102 0.000 1.176 314 A CA 1.609 53.619 52.037 -0.045 0.000 0.628 314 A CB -0.301 18.700 19.000 0.000 0.000 0.816 314 A HN 0.577 nan 8.150 nan 0.000 0.444 315 G N -3.116 105.612 108.800 -0.120 0.000 2.834 315 G HA2 0.037 3.997 3.960 -0.000 0.000 0.217 315 G HA3 0.037 3.997 3.960 -0.000 0.000 0.217 315 G C -0.063 174.749 174.900 -0.148 0.000 0.974 315 G CA -0.478 44.536 45.100 -0.143 0.000 0.826 315 G HN 0.192 nan 8.290 nan 0.000 0.584 316 F N 2.013 121.989 119.950 0.043 0.000 2.529 316 F HA 0.290 4.817 4.527 -0.000 0.000 0.365 316 F C 1.332 177.175 175.800 0.071 0.000 1.102 316 F CA 0.199 58.234 58.000 0.059 0.000 1.271 316 F CB 0.858 39.885 39.000 0.045 0.000 1.120 316 F HN -0.021 nan 8.300 nan 0.000 0.579 317 D N 1.633 122.219 120.400 0.310 0.000 2.346 317 D HA 0.072 4.711 4.640 -0.000 0.000 0.206 317 D C -0.138 176.278 176.300 0.194 0.000 1.001 317 D CA 0.906 55.047 54.000 0.235 0.000 0.871 317 D CB 0.771 41.731 40.800 0.266 0.000 0.943 317 D HN 0.077 nan 8.370 nan 0.000 0.518 318 V N 1.301 121.335 119.914 0.199 0.000 2.733 318 V HA 0.241 4.361 4.120 -0.000 0.000 0.306 318 V C -0.499 175.599 176.094 0.007 0.000 1.084 318 V CA -0.815 61.548 62.300 0.105 0.000 0.905 318 V CB 2.959 34.856 31.823 0.123 0.000 1.010 318 V HN -0.274 nan 8.190 nan 0.000 0.424 319 V N 5.827 125.707 119.914 -0.056 0.000 2.378 319 V HA 0.502 4.622 4.120 -0.000 0.000 0.288 319 V C -0.146 175.842 176.094 -0.177 0.000 1.016 319 V CA -0.423 61.788 62.300 -0.148 0.000 0.840 319 V CB 1.664 33.428 31.823 -0.098 0.000 0.994 319 V HN 0.707 nan 8.190 nan 0.000 0.431 320 I N 6.924 127.352 120.570 -0.236 0.000 2.337 320 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 320 I C 0.484 176.556 176.117 -0.074 0.000 1.046 320 I CA 0.196 61.359 61.300 -0.228 0.000 1.324 320 I CB 0.655 38.382 38.000 -0.455 0.000 1.409 320 I HN 0.658 nan 8.210 nan 0.000 0.494 321 M N 7.016 126.477 119.600 -0.231 0.000 2.811 321 M HA 0.718 5.198 4.480 -0.000 0.000 0.303 321 M C -2.829 172.935 176.300 -0.895 0.000 1.227 321 M CA -2.206 52.800 55.300 -0.489 0.000 0.874 321 M CB 1.302 33.695 32.600 -0.344 0.000 1.681 321 M HN 0.006 nan 8.290 nan 0.000 0.500 322 P HA 0.275 nan 4.420 nan 0.000 0.276 322 P C -0.418 176.541 177.300 -0.568 0.000 1.230 322 P CA 0.069 62.621 63.100 -0.914 0.000 0.776 322 P CB 0.847 32.102 31.700 -0.740 0.000 0.888 323 G N 1.718 110.252 108.800 -0.443 0.000 2.782 323 G HA2 0.553 4.512 3.960 -0.000 0.000 0.201 323 G HA3 0.553 4.512 3.960 -0.000 0.000 0.201 323 G C -0.651 173.916 174.900 -0.554 0.000 1.374 323 G CA -0.601 44.174 45.100 -0.542 0.000 1.039 323 G HN 0.318 nan 8.290 nan 0.000 0.576 324 F N -0.311 119.611 119.950 -0.045 0.000 2.294 324 F HA 0.647 5.174 4.527 0.001 0.000 0.319 324 F C 1.031 176.827 175.800 -0.007 0.000 1.107 324 F CA 0.209 58.195 58.000 -0.024 0.000 1.094 324 F CB 0.134 39.130 39.000 -0.007 0.000 1.508 324 F HN 0.957 nan 8.300 nan 0.000 0.506 325 G N 0.110 109.051 108.800 0.235 0.000 2.721 325 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.686 325 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.686 325 G C -2.484 172.466 174.900 0.083 0.000 1.236 325 G CA -0.649 44.529 45.100 0.129 0.000 0.786 325 G HN 0.471 nan 8.290 nan 0.000 0.616 326 P HA 0.010 nan 4.420 nan 0.000 0.226 326 P C 1.595 178.912 177.300 0.028 0.000 1.161 326 P CA 0.362 63.489 63.100 0.044 0.000 0.804 326 P CB 0.110 31.835 31.700 0.042 0.000 0.829 327 R N -0.126 120.393 120.500 0.032 0.000 2.316 327 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 327 R C 1.243 177.551 176.300 0.013 0.000 1.137 327 R CA 0.977 57.092 56.100 0.025 0.000 1.012 327 R CB -0.377 29.943 30.300 0.034 0.000 0.859 327 R HN 0.154 nan 8.270 nan 0.000 0.474 328 M N -0.767 118.834 119.600 0.001 0.000 2.382 328 M HA 0.128 4.607 4.480 -0.000 0.000 0.247 328 M C 0.629 176.898 176.300 -0.051 0.000 1.104 328 M CA -0.001 55.280 55.300 -0.032 0.000 1.030 328 M CB -0.116 32.441 32.600 -0.071 0.000 1.424 328 M HN 0.034 nan 8.290 nan 0.000 0.486 329 M N 0.933 120.515 119.600 -0.030 0.000 2.333 329 M HA -0.211 4.268 4.480 -0.000 0.000 0.199 329 M C -0.810 175.454 176.300 -0.059 0.000 0.376 329 M CA 0.776 56.056 55.300 -0.033 0.000 0.440 329 M CB -1.903 30.680 32.600 -0.029 0.000 1.506 329 M HN 0.100 nan 8.290 nan 0.000 0.889 330 T N -0.737 113.770 114.554 -0.077 0.000 2.841 330 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 330 T C -2.309 172.342 174.700 -0.081 0.000 0.991 330 T CA -1.310 60.722 62.100 -0.113 0.000 0.966 330 T CB 1.736 70.491 68.868 -0.188 0.000 0.962 330 T HN -0.096 nan 8.240 nan 0.000 0.438 331 P HA 0.091 nan 4.420 nan 0.000 0.263 331 P C 0.952 178.253 177.300 0.003 0.000 1.175 331 P CA 0.103 63.205 63.100 0.004 0.000 0.761 331 P CB 0.698 32.407 31.700 0.014 0.000 0.794 332 E N 2.942 123.217 120.200 0.124 0.000 2.055 332 E HA -0.322 4.028 4.350 -0.000 0.000 0.209 332 E C 1.813 178.506 176.600 0.155 0.000 1.036 332 E CA 2.033 58.545 56.400 0.187 0.000 0.849 332 E CB -0.444 29.377 29.700 0.202 0.000 0.767 332 E HN 0.653 nan 8.360 nan 0.000 0.461 333 H N -0.616 118.494 119.070 0.067 0.000 2.457 333 H HA -0.031 4.525 4.556 0.000 0.000 0.294 333 H C 1.939 177.305 175.328 0.064 0.000 1.064 333 H CA 1.598 57.684 56.048 0.064 0.000 1.330 333 H CB -0.332 29.459 29.762 0.049 0.000 1.395 333 H HN 0.270 nan 8.280 nan 0.000 0.541 334 E N 1.110 120.893 120.200 -0.695 0.000 2.051 334 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 334 E C 2.500 178.999 176.600 -0.168 0.000 0.991 334 E CA 1.620 57.756 56.400 -0.439 0.000 0.799 334 E CB -0.018 29.396 29.700 -0.475 0.000 0.748 334 E HN 0.282 nan 8.360 nan 0.000 0.449 335 V N 0.695 120.496 119.914 -0.188 0.000 2.287 335 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 335 V C 2.372 178.394 176.094 -0.121 0.000 1.053 335 V CA 1.747 63.910 62.300 -0.229 0.000 1.027 335 V CB -0.546 31.003 31.823 -0.456 0.000 0.646 335 V HN 0.315 nan 8.190 nan 0.000 0.447 336 L N -0.104 121.116 121.223 -0.006 0.000 2.131 336 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 336 L C 2.337 179.220 176.870 0.021 0.000 1.092 336 L CA 1.451 56.324 54.840 0.054 0.000 0.759 336 L CB -0.769 41.358 42.059 0.112 0.000 0.903 336 L HN 0.339 nan 8.230 nan 0.000 0.435 337 D N -0.728 119.677 120.400 0.008 0.000 2.178 337 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 337 D C 2.206 178.483 176.300 -0.040 0.000 0.980 337 D CA 1.183 55.176 54.000 -0.011 0.000 0.842 337 D CB -0.183 40.610 40.800 -0.011 0.000 0.948 337 D HN 0.395 nan 8.370 nan 0.000 0.472 338 C N 0.027 119.304 119.300 -0.037 0.000 2.505 338 C HA 0.089 4.549 4.460 -0.000 0.000 0.279 338 C C 2.808 177.778 174.990 -0.034 0.000 1.316 338 C CA -0.334 58.655 59.018 -0.048 0.000 1.720 338 C CB -0.747 26.947 27.740 -0.076 0.000 2.050 338 C HN 0.295 nan 8.230 nan 0.000 0.493 339 I N 0.887 121.439 120.570 -0.029 0.000 2.163 339 I HA -0.233 3.936 4.170 -0.000 0.000 0.243 339 I C 2.677 178.806 176.117 0.020 0.000 1.085 339 I CA 1.383 62.685 61.300 0.004 0.000 1.347 339 I CB -0.501 37.513 38.000 0.023 0.000 1.044 339 I HN 0.231 nan 8.210 nan 0.000 0.408 340 R N 1.039 121.548 120.500 0.016 0.000 2.112 340 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 340 R C 2.363 178.670 176.300 0.012 0.000 1.137 340 R CA 1.847 57.957 56.100 0.016 0.000 0.944 340 R CB -1.500 28.805 30.300 0.010 0.000 0.857 340 R HN 0.456 nan 8.270 nan 0.000 0.435 341 A N 0.298 123.115 122.820 -0.004 0.000 1.948 341 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 341 A C 2.710 180.305 177.584 0.019 0.000 1.177 341 A CA 1.856 53.892 52.037 -0.002 0.000 0.636 341 A CB -0.947 18.041 19.000 -0.021 0.000 0.815 341 A HN 0.444 nan 8.150 nan 0.000 0.449 342 C N -1.325 117.988 119.300 0.021 0.000 2.466 342 C HA 0.070 4.529 4.460 -0.000 0.000 0.278 342 C C 2.570 177.587 174.990 0.046 0.000 1.288 342 C CA 1.067 60.106 59.018 0.035 0.000 1.722 342 C CB -1.234 26.527 27.740 0.035 0.000 2.017 342 C HN 0.628 nan 8.230 nan 0.000 0.488 343 L N -0.573 120.677 121.223 0.046 0.000 2.354 343 L HA 0.119 4.459 4.340 -0.000 0.000 0.212 343 L C 1.002 177.900 176.870 0.046 0.000 1.091 343 L CA 0.275 55.147 54.840 0.053 0.000 0.828 343 L CB -0.489 41.606 42.059 0.060 0.000 0.973 343 L HN 0.280 nan 8.230 nan 0.000 0.461 344 E N 1.493 121.716 120.200 0.039 0.000 2.534 344 E HA -0.050 4.300 4.350 -0.000 0.000 0.264 344 E C -2.110 174.514 176.600 0.041 0.000 0.981 344 E CA -1.273 55.149 56.400 0.037 0.000 0.948 344 E CB 0.234 29.953 29.700 0.031 0.000 0.934 344 E HN -0.012 nan 8.360 nan 0.000 0.459 345 P HA -0.038 nan 4.420 nan 0.000 0.268 345 P C -0.569 176.760 177.300 0.048 0.000 1.204 345 P CA 0.613 63.739 63.100 0.042 0.000 0.768 345 P CB 0.425 32.148 31.700 0.039 0.000 0.842 346 M N 2.951 122.581 119.600 0.050 0.000 3.600 346 M HA 0.300 4.780 4.480 -0.000 0.000 0.397 346 M C 0.480 176.815 176.300 0.059 0.000 1.860 346 M CA 0.060 55.398 55.300 0.064 0.000 0.514 346 M CB 0.013 32.650 32.600 0.062 0.000 1.473 346 M HN 0.659 nan 8.290 nan 0.000 0.485 347 G N 2.890 111.725 108.800 0.060 0.000 2.614 347 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.303 347 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.303 347 G C -1.879 173.044 174.900 0.037 0.000 1.270 347 G CA 0.244 45.376 45.100 0.054 0.000 0.988 347 G HN 0.473 nan 8.290 nan 0.000 0.551 348 P HA 0.214 nan 4.420 nan 0.000 0.245 348 P C 0.605 177.912 177.300 0.012 0.000 1.212 348 P CA 0.339 63.450 63.100 0.018 0.000 0.774 348 P CB 0.045 31.753 31.700 0.012 0.000 0.999 349 I N 1.167 121.745 120.570 0.013 0.000 2.416 349 I HA 0.118 4.288 4.170 -0.000 0.000 0.288 349 I C 1.036 177.162 176.117 0.016 0.000 1.051 349 I CA -0.946 60.356 61.300 0.003 0.000 1.375 349 I CB -0.006 37.984 38.000 -0.017 0.000 1.407 349 I HN -0.123 nan 8.210 nan 0.000 0.516 350 K N 7.692 128.103 120.400 0.017 0.000 2.355 350 K HA 0.168 4.487 4.320 -0.000 0.000 0.270 350 K C -2.170 174.456 176.600 0.044 0.000 1.003 350 K CA -1.214 55.092 56.287 0.032 0.000 0.957 350 K CB 0.145 32.666 32.500 0.035 0.000 0.939 350 K HN 0.382 nan 8.250 nan 0.000 0.482 351 P HA 0.009 nan 4.420 nan 0.000 0.271 351 P C -0.141 177.202 177.300 0.072 0.000 1.226 351 P CA -0.424 62.711 63.100 0.058 0.000 0.765 351 P CB 0.224 31.959 31.700 0.059 0.000 0.835 352 C N 3.734 123.080 119.300 0.076 0.000 2.335 352 C HA 0.669 5.129 4.460 -0.000 0.000 0.363 352 C C 0.256 175.296 174.990 0.084 0.000 1.198 352 C CA -1.266 57.807 59.018 0.093 0.000 2.279 352 C CB -0.151 27.655 27.740 0.111 0.000 2.334 352 C HN 0.541 nan 8.230 nan 0.000 0.559 353 L N 3.938 125.216 121.223 0.091 0.000 2.278 353 L HA 0.525 4.864 4.340 -0.000 0.000 0.287 353 L C -2.049 174.863 176.870 0.069 0.000 1.072 353 L CA -1.528 53.365 54.840 0.089 0.000 0.819 353 L CB 0.555 42.675 42.059 0.102 0.000 1.176 353 L HN 0.635 nan 8.230 nan 0.000 0.435 354 P HA 0.174 nan 4.420 nan 0.000 0.284 354 P C -1.299 176.038 177.300 0.061 0.000 1.253 354 P CA -0.237 62.889 63.100 0.043 0.000 0.800 354 P CB 1.544 33.277 31.700 0.056 0.000 0.961 355 V N 4.303 124.195 119.914 -0.036 0.000 2.454 355 V HA 0.224 4.344 4.120 -0.000 0.000 0.267 355 V C -2.456 173.577 176.094 -0.101 0.000 0.993 355 V CA -1.937 60.326 62.300 -0.061 0.000 0.836 355 V CB 1.282 32.920 31.823 -0.307 0.000 1.055 355 V HN 0.424 nan 8.190 nan 0.000 0.452 356 P HA 0.143 nan 4.420 nan 0.000 0.265 356 P C 0.937 178.167 177.300 -0.116 0.000 1.222 356 P CA 0.796 63.803 63.100 -0.156 0.000 0.767 356 P CB 0.860 32.478 31.700 -0.136 0.000 0.801 357 G N 3.076 111.776 108.800 -0.166 0.000 2.522 357 G HA2 0.433 4.393 3.960 -0.000 0.000 0.223 357 G HA3 0.433 4.393 3.960 -0.000 0.000 0.223 357 G C 0.303 175.163 174.900 -0.067 0.000 1.565 357 G CA 0.165 45.230 45.100 -0.058 0.000 1.053 357 G HN 0.827 nan 8.290 nan 0.000 0.547 358 G N -2.487 106.301 108.800 -0.019 0.000 2.692 358 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 358 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 358 G C 0.006 174.895 174.900 -0.017 0.000 1.243 358 G CA 0.149 45.245 45.100 -0.006 0.000 0.782 358 G HN 1.682 nan 8.290 nan 0.000 0.625 359 S N 1.405 117.104 115.700 -0.002 0.000 3.065 359 S HA 0.453 4.923 4.470 -0.000 0.000 0.311 359 S C -0.201 174.364 174.600 -0.058 0.000 1.204 359 S CA -0.452 57.731 58.200 -0.030 0.000 1.040 359 S CB 0.754 63.953 63.200 -0.001 0.000 1.436 359 S HN 0.584 nan 8.310 nan 0.000 0.532 360 D N 2.327 122.645 120.400 -0.138 0.000 2.193 360 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 360 D C 0.366 176.559 176.300 -0.178 0.000 1.034 360 D CA -0.106 53.800 54.000 -0.156 0.000 0.902 360 D CB 2.006 42.490 40.800 -0.526 0.000 1.182 360 D HN 0.608 nan 8.370 nan 0.000 0.436 361 S N -0.842 114.861 115.700 0.005 0.000 2.840 361 S HA 0.612 5.082 4.470 -0.000 0.000 0.307 361 S C 0.901 175.642 174.600 0.235 0.000 1.180 361 S CA -0.363 57.805 58.200 -0.053 0.000 0.846 361 S CB 1.110 64.075 63.200 -0.391 0.000 1.233 361 S HN 0.283 nan 8.310 nan 0.000 0.548 362 A N 0.426 123.358 122.820 0.186 0.000 2.024 362 A HA 0.224 4.544 4.320 -0.000 0.000 0.220 362 A C 2.232 179.929 177.584 0.189 0.000 1.164 362 A CA 2.018 54.170 52.037 0.191 0.000 0.643 362 A CB -1.623 17.483 19.000 0.178 0.000 0.806 362 A HN 1.408 nan 8.150 nan 0.000 0.451 363 A N -0.495 122.452 122.820 0.211 0.000 1.930 363 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 363 A C 2.344 180.037 177.584 0.181 0.000 1.175 363 A CA 2.254 54.403 52.037 0.187 0.000 0.627 363 A CB -1.024 18.100 19.000 0.207 0.000 0.815 363 A HN 0.808 nan 8.150 nan 0.000 0.443 364 T N -2.923 111.773 114.554 0.238 0.000 3.081 364 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 364 T C 1.594 176.468 174.700 0.289 0.000 1.100 364 T CA 0.803 63.056 62.100 0.255 0.000 1.038 364 T CB -0.226 68.804 68.868 0.270 0.000 0.962 364 T HN 0.141 nan 8.240 nan 0.000 0.516 365 L N 1.736 123.102 121.223 0.239 0.000 2.017 365 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 365 L C 2.547 179.479 176.870 0.104 0.000 1.073 365 L CA 2.196 57.023 54.840 -0.023 0.000 0.745 365 L CB -0.857 41.070 42.059 -0.220 0.000 0.894 365 L HN 0.402 nan 8.230 nan 0.000 0.432 366 E N -0.554 119.714 120.200 0.112 0.000 2.086 366 E HA -0.329 4.020 4.350 -0.000 0.000 0.200 366 E C 2.152 178.833 176.600 0.134 0.000 1.012 366 E CA 1.773 58.250 56.400 0.127 0.000 0.812 366 E CB -0.348 29.398 29.700 0.078 0.000 0.743 366 E HN 0.647 nan 8.360 nan 0.000 0.453 367 N N -0.083 118.665 118.700 0.080 0.000 2.043 367 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 367 N C 1.962 177.411 175.510 -0.100 0.000 1.037 367 N CA 1.868 54.914 53.050 -0.007 0.000 0.851 367 N CB -0.022 38.460 38.487 -0.009 0.000 1.027 367 N HN 0.083 nan 8.380 nan 0.000 0.422 368 V N 0.761 120.663 119.914 -0.020 0.000 2.392 368 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 368 V C 2.155 178.089 176.094 -0.266 0.000 1.059 368 V CA 1.729 63.953 62.300 -0.126 0.000 1.051 368 V CB -0.936 30.997 31.823 0.183 0.000 0.658 368 V HN 0.400 nan 8.190 nan 0.000 0.455 369 Y N 1.097 121.309 120.300 -0.147 0.000 2.200 369 Y HA -0.161 4.388 4.550 -0.001 0.000 0.290 369 Y C 2.731 178.603 175.900 -0.046 0.000 1.137 369 Y CA 1.584 59.675 58.100 -0.015 0.000 1.163 369 Y CB -0.274 38.375 38.460 0.315 0.000 0.988 369 Y HN 0.032 nan 8.280 nan 0.000 0.518 370 R N 0.263 120.681 120.500 -0.136 0.000 2.083 370 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 370 R C 2.267 178.396 176.300 -0.284 0.000 1.137 370 R CA 2.015 57.980 56.100 -0.225 0.000 0.951 370 R CB -0.267 29.973 30.300 -0.100 0.000 0.851 370 R HN 0.277 nan 8.270 nan 0.000 0.434 371 K N -0.129 120.069 120.400 -0.338 0.000 2.155 371 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 371 K C 1.929 178.370 176.600 -0.265 0.000 1.052 371 K CA 0.714 56.764 56.287 -0.396 0.000 0.948 371 K CB 0.150 32.154 32.500 -0.827 0.000 0.728 371 K HN -0.035 nan 8.250 nan 0.000 0.448 372 V N -0.653 119.087 119.914 -0.289 0.000 2.548 372 V HA -0.032 4.088 4.120 -0.000 0.000 0.249 372 V C 1.556 177.562 176.094 -0.147 0.000 1.055 372 V CA 1.665 63.855 62.300 -0.183 0.000 1.065 372 V CB -0.132 31.479 31.823 -0.354 0.000 0.681 372 V HN 0.667 nan 8.190 nan 0.000 0.462 373 G N 0.441 109.089 108.800 -0.252 0.000 2.241 373 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 373 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 373 G C 0.378 175.158 174.900 -0.200 0.000 0.998 373 G CA 0.855 45.824 45.100 -0.217 0.000 0.621 373 G HN 1.218 nan 8.290 nan 0.000 0.519 374 S N -2.000 113.636 115.700 -0.106 0.000 2.727 374 S HA 0.789 5.259 4.470 -0.000 0.000 0.278 374 S C 0.663 175.535 174.600 0.453 0.000 1.186 374 S CA 0.483 58.757 58.200 0.123 0.000 0.836 374 S CB 1.034 64.318 63.200 0.139 0.000 1.186 374 S HN 1.753 nan 8.310 nan 0.000 0.499 375 A N -0.252 122.859 122.820 0.484 0.000 2.278 375 A HA 0.322 4.641 4.320 -0.000 0.000 0.212 375 A C 0.067 177.714 177.584 0.104 0.000 1.213 375 A CA 0.157 52.422 52.037 0.379 0.000 0.840 375 A CB -0.684 18.453 19.000 0.229 0.000 0.866 375 A HN 0.638 nan 8.150 nan 0.000 0.489 376 D N 0.984 121.534 120.400 0.251 0.000 2.619 376 D HA 0.455 5.095 4.640 -0.000 0.000 0.224 376 D C -0.576 175.886 176.300 0.270 0.000 1.133 376 D CA 0.385 54.475 54.000 0.150 0.000 1.017 376 D CB -0.531 40.351 40.800 0.136 0.000 1.077 376 D HN 0.479 nan 8.370 nan 0.000 0.503 377 F N -2.026 117.936 119.950 0.020 0.000 2.713 377 F HA 0.705 5.233 4.527 0.000 0.000 0.311 377 F C 0.110 175.947 175.800 0.063 0.000 1.141 377 F CA -1.486 56.548 58.000 0.056 0.000 0.939 377 F CB 0.748 39.814 39.000 0.109 0.000 1.325 377 F HN -0.038 nan 8.300 nan 0.000 0.453 378 G N 0.236 109.192 108.800 0.261 0.000 2.502 378 G HA2 0.594 4.554 3.960 -0.000 0.000 0.305 378 G HA3 0.594 4.554 3.960 -0.000 0.000 0.305 378 G C -2.395 172.800 174.900 0.491 0.000 1.190 378 G CA -0.679 44.603 45.100 0.303 0.000 0.933 378 G HN 0.756 nan 8.290 nan 0.000 0.503 379 F N 0.541 120.688 119.950 0.328 0.000 2.585 379 F HA 0.464 4.991 4.527 -0.001 0.000 0.319 379 F C -0.565 175.437 175.800 0.336 0.000 1.165 379 F CA -1.063 57.150 58.000 0.356 0.000 0.949 379 F CB 2.277 41.533 39.000 0.428 0.000 1.218 379 F HN 0.310 nan 8.300 nan 0.000 0.453 380 V N 5.922 125.722 119.914 -0.190 0.000 2.260 380 V HA 0.386 4.506 4.120 -0.000 0.000 0.263 380 V C -2.503 173.471 176.094 -0.200 0.000 1.036 380 V CA -1.591 60.653 62.300 -0.094 0.000 0.874 380 V CB 0.092 31.854 31.823 -0.101 0.000 1.116 380 V HN 0.519 nan 8.190 nan 0.000 0.454 381 P HA 0.426 nan 4.420 nan 0.000 0.274 381 P C 0.727 178.031 177.300 0.008 0.000 1.231 381 P CA 0.298 63.302 63.100 -0.159 0.000 0.790 381 P CB 1.749 33.365 31.700 -0.139 0.000 0.951 382 G N 1.372 110.181 108.800 0.014 0.000 2.508 382 G HA2 0.131 4.091 3.960 -0.000 0.000 0.217 382 G HA3 0.131 4.091 3.960 -0.000 0.000 0.217 382 G C 0.077 175.077 174.900 0.166 0.000 2.004 382 G CA -0.203 44.970 45.100 0.120 0.000 0.750 382 G HN 0.322 nan 8.290 nan 0.000 0.730 383 R N 0.358 120.905 120.500 0.079 0.000 2.734 383 R HA 0.391 4.730 4.340 -0.000 0.000 0.266 383 R C 1.177 177.393 176.300 -0.141 0.000 1.044 383 R CA 1.182 57.322 56.100 0.066 0.000 1.128 383 R CB 0.549 30.902 30.300 0.089 0.000 1.010 383 R HN 0.789 nan 8.270 nan 0.000 0.461 384 G N -0.053 108.614 108.800 -0.220 0.000 2.279 384 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 384 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 384 G C 0.488 175.303 174.900 -0.141 0.000 1.015 384 G CA 0.191 44.940 45.100 -0.586 0.000 0.621 384 G HN 0.437 nan 8.290 nan 0.000 0.506 385 V N -0.146 119.701 119.914 -0.113 0.000 2.870 385 V HA 0.368 4.487 4.120 -0.000 0.000 0.232 385 V C 1.934 177.861 176.094 -0.277 0.000 1.161 385 V CA 1.639 63.781 62.300 -0.264 0.000 1.204 385 V CB -0.610 30.919 31.823 -0.491 0.000 1.003 385 V HN 0.193 nan 8.190 nan 0.000 0.499 386 F N 1.645 121.610 119.950 0.026 0.000 2.661 386 F HA 0.217 4.744 4.527 -0.000 0.000 0.298 386 F C 2.154 178.002 175.800 0.079 0.000 1.137 386 F CA 1.073 59.089 58.000 0.027 0.000 1.454 386 F CB -0.524 38.462 39.000 -0.023 0.000 1.103 386 F HN 0.251 nan 8.300 nan 0.000 0.577 387 G N -1.884 107.070 108.800 0.258 0.000 2.777 387 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 387 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 387 G C 0.464 175.574 174.900 0.351 0.000 1.149 387 G CA -0.127 45.143 45.100 0.283 0.000 0.785 387 G HN 0.274 nan 8.290 nan 0.000 0.536 388 H N 1.490 120.715 119.070 0.259 0.000 3.001 388 H HA 0.050 4.606 4.556 -0.000 0.000 0.334 388 H C -1.268 174.117 175.328 0.096 0.000 1.034 388 H CA -0.932 55.257 56.048 0.236 0.000 1.420 388 H CB 1.762 31.617 29.762 0.156 0.000 1.405 388 H HN -0.037 nan 8.280 nan 0.000 0.593 389 P HA -0.153 nan 4.420 nan 0.000 0.216 389 P C 1.425 178.772 177.300 0.079 0.000 1.153 389 P CA 1.628 64.677 63.100 -0.086 0.000 0.858 389 P CB 0.118 31.680 31.700 -0.230 0.000 0.789 390 M N -1.970 117.798 119.600 0.279 0.000 2.618 390 M HA 0.200 4.680 4.480 -0.000 0.000 0.240 390 M C 0.746 177.146 176.300 0.167 0.000 1.123 390 M CA 0.446 55.885 55.300 0.233 0.000 1.060 390 M CB -0.359 32.397 32.600 0.259 0.000 1.535 390 M HN -0.025 nan 8.290 nan 0.000 0.507 391 G N 0.274 109.191 108.800 0.194 0.000 2.603 391 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 391 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 391 G C -2.784 172.131 174.900 0.026 0.000 1.286 391 G CA -1.143 44.017 45.100 0.101 0.000 0.871 391 G HN 0.013 nan 8.290 nan 0.000 0.568 392 P HA 0.040 nan 4.420 nan 0.000 0.216 392 P C 2.311 179.472 177.300 -0.231 0.000 1.153 392 P CA 2.813 65.808 63.100 -0.175 0.000 0.848 392 P CB -0.043 31.593 31.700 -0.106 0.000 0.787 393 A N 0.396 123.134 122.820 -0.135 0.000 1.892 393 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 393 A C 2.362 179.839 177.584 -0.178 0.000 1.188 393 A CA 2.538 54.493 52.037 -0.136 0.000 0.631 393 A CB -1.706 17.252 19.000 -0.071 0.000 0.822 393 A HN 0.215 nan 8.150 nan 0.000 0.447 394 A N -0.818 121.885 122.820 -0.194 0.000 2.014 394 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 394 A C 2.350 179.594 177.584 -0.567 0.000 1.163 394 A CA 1.689 53.547 52.037 -0.299 0.000 0.652 394 A CB -1.217 17.642 19.000 -0.236 0.000 0.808 394 A HN 0.726 nan 8.150 nan 0.000 0.449 395 G N -0.176 108.280 108.800 -0.574 0.000 2.421 395 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.216 395 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.216 395 G C 1.768 176.487 174.900 -0.302 0.000 1.171 395 G CA 1.443 46.256 45.100 -0.479 0.000 0.775 395 G HN 0.737 nan 8.290 nan 0.000 0.543 396 A N 0.463 123.104 122.820 -0.298 0.000 1.865 396 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 396 A C 2.539 179.993 177.584 -0.216 0.000 1.191 396 A CA 2.662 54.552 52.037 -0.244 0.000 0.623 396 A CB -1.233 17.635 19.000 -0.219 0.000 0.826 396 A HN 0.305 nan 8.150 nan 0.000 0.444 397 T N 0.795 115.234 114.554 -0.192 0.000 2.653 397 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 397 T C 2.315 176.938 174.700 -0.127 0.000 1.035 397 T CA 2.454 64.470 62.100 -0.140 0.000 1.154 397 T CB -0.679 68.125 68.868 -0.107 0.000 0.862 397 T HN 0.861 nan 8.240 nan 0.000 0.441 398 S N 1.782 117.396 115.700 -0.143 0.000 2.374 398 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 398 S C 2.075 176.647 174.600 -0.046 0.000 1.037 398 S CA 1.081 59.252 58.200 -0.047 0.000 1.024 398 S CB -0.733 62.486 63.200 0.031 0.000 0.861 398 S HN 0.421 nan 8.310 nan 0.000 0.456 399 I N 1.701 122.199 120.570 -0.119 0.000 2.163 399 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 399 I C 2.921 178.850 176.117 -0.313 0.000 1.081 399 I CA 1.171 62.348 61.300 -0.204 0.000 1.353 399 I CB -1.271 36.536 38.000 -0.321 0.000 1.054 399 I HN 0.286 nan 8.210 nan 0.000 0.407 400 R N 1.239 121.534 120.500 -0.340 0.000 2.096 400 R HA -0.198 4.141 4.340 -0.000 0.000 0.240 400 R C 2.192 178.470 176.300 -0.038 0.000 1.139 400 R CA 1.472 57.443 56.100 -0.214 0.000 0.952 400 R CB -0.971 29.253 30.300 -0.127 0.000 0.854 400 R HN 0.587 nan 8.270 nan 0.000 0.436 401 Q N -0.262 119.507 119.800 -0.052 0.000 2.046 401 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 401 Q C 2.208 178.185 176.000 -0.038 0.000 0.975 401 Q CA 1.454 57.235 55.803 -0.036 0.000 0.836 401 Q CB -0.299 28.404 28.738 -0.058 0.000 0.896 401 Q HN 0.361 nan 8.270 nan 0.000 0.428 402 A N 1.668 124.483 122.820 -0.009 0.000 1.903 402 A HA -0.240 4.079 4.320 -0.000 0.000 0.219 402 A C 1.792 179.348 177.584 -0.046 0.000 1.191 402 A CA 1.575 53.609 52.037 -0.005 0.000 0.638 402 A CB -1.356 17.658 19.000 0.024 0.000 0.823 402 A HN 0.748 nan 8.150 nan 0.000 0.451 403 W N 0.962 122.159 121.300 -0.172 0.000 2.355 403 W HA -0.191 4.469 4.660 0.000 0.000 0.309 403 W C 1.231 177.641 176.519 -0.181 0.000 1.206 403 W CA 1.928 59.185 57.345 -0.146 0.000 1.284 403 W CB -0.360 29.089 29.460 -0.019 0.000 1.145 403 W HN 0.428 nan 8.180 nan 0.000 0.502 404 D N 0.726 120.953 120.400 -0.287 0.000 2.158 404 D HA -0.200 4.439 4.640 -0.000 0.000 0.197 404 D C 2.318 178.236 176.300 -0.637 0.000 0.995 404 D CA 2.132 55.879 54.000 -0.422 0.000 0.846 404 D CB -0.844 39.807 40.800 -0.249 0.000 0.941 404 D HN 0.199 nan 8.370 nan 0.000 0.456 405 A N 0.818 123.220 122.820 -0.697 0.000 1.845 405 A HA -0.172 4.147 4.320 -0.000 0.000 0.215 405 A C 2.425 179.691 177.584 -0.531 0.000 1.195 405 A CA 1.312 52.947 52.037 -0.669 0.000 0.616 405 A CB -0.912 17.810 19.000 -0.463 0.000 0.832 405 A HN 0.212 nan 8.150 nan 0.000 0.443 406 I N 0.027 120.248 120.570 -0.582 0.000 2.194 406 I HA -0.333 3.836 4.170 -0.000 0.000 0.246 406 I C 2.876 178.525 176.117 -0.780 0.000 1.093 406 I CA 1.335 62.254 61.300 -0.635 0.000 1.355 406 I CB -0.360 37.188 38.000 -0.755 0.000 1.046 406 I HN 0.359 nan 8.210 nan 0.000 0.413 407 A N 0.389 122.532 122.820 -1.128 0.000 2.015 407 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 407 A C 2.300 179.629 177.584 -0.424 0.000 1.163 407 A CA 1.582 53.107 52.037 -0.853 0.000 0.646 407 A CB -0.559 17.889 19.000 -0.919 0.000 0.806 407 A HN 0.448 nan 8.150 nan 0.000 0.448 408 A N -1.834 120.750 122.820 -0.395 0.000 2.275 408 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 408 A C 1.720 179.189 177.584 -0.191 0.000 1.201 408 A CA 1.031 52.923 52.037 -0.242 0.000 0.843 408 A CB -0.844 18.020 19.000 -0.227 0.000 0.873 408 A HN 1.762 nan 8.150 nan 0.000 0.492 409 G N -0.356 108.312 108.800 -0.220 0.000 2.166 409 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 409 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 409 G C 0.134 174.965 174.900 -0.114 0.000 0.986 409 G CA 0.537 45.553 45.100 -0.140 0.000 0.683 409 G HN 0.515 nan 8.290 nan 0.000 0.527 410 I N 2.781 123.261 120.570 -0.150 0.000 2.416 410 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 410 I C -1.260 174.804 176.117 -0.089 0.000 1.051 410 I CA -2.160 59.079 61.300 -0.102 0.000 1.375 410 I CB 0.957 38.890 38.000 -0.113 0.000 1.407 410 I HN -0.064 nan 8.210 nan 0.000 0.516 411 P HA 0.002 nan 4.420 nan 0.000 0.267 411 P C 0.908 178.207 177.300 -0.002 0.000 1.200 411 P CA -0.123 62.965 63.100 -0.020 0.000 0.772 411 P CB 1.090 32.790 31.700 0.000 0.000 0.855 412 V N 4.337 124.254 119.914 0.004 0.000 2.216 412 V HA -0.148 3.972 4.120 -0.000 0.000 0.243 412 V C -0.458 175.678 176.094 0.070 0.000 1.044 412 V CA 2.463 64.781 62.300 0.031 0.000 0.995 412 V CB -2.471 29.371 31.823 0.032 0.000 0.633 412 V HN 0.591 nan 8.190 nan 0.000 0.446 413 P HA -0.181 nan 4.420 nan 0.000 0.219 413 P C 0.708 178.044 177.300 0.061 0.000 1.144 413 P CA 1.702 64.837 63.100 0.058 0.000 0.806 413 P CB -0.116 31.610 31.700 0.044 0.000 0.771 414 D N -1.918 118.521 120.400 0.066 0.000 2.091 414 D HA -0.158 4.481 4.640 -0.000 0.000 0.199 414 D C 2.099 178.464 176.300 0.107 0.000 0.980 414 D CA 0.972 55.013 54.000 0.069 0.000 0.831 414 D CB -1.122 39.712 40.800 0.058 0.000 0.987 414 D HN 0.313 nan 8.370 nan 0.000 0.460 415 H N 0.338 119.418 119.070 0.017 0.000 2.387 415 H HA -0.090 4.465 4.556 -0.001 0.000 0.299 415 H C 1.881 177.271 175.328 0.103 0.000 1.099 415 H CA 1.411 57.480 56.048 0.036 0.000 1.315 415 H CB 0.104 29.838 29.762 -0.047 0.000 1.380 415 H HN 0.112 nan 8.280 nan 0.000 0.513 416 A N 1.049 123.927 122.820 0.096 0.000 2.024 416 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 416 A C 2.601 180.209 177.584 0.040 0.000 1.164 416 A CA 1.406 53.481 52.037 0.064 0.000 0.643 416 A CB -0.876 18.170 19.000 0.076 0.000 0.806 416 A HN 0.569 nan 8.150 nan 0.000 0.451 417 A N -0.087 122.751 122.820 0.030 0.000 2.131 417 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 417 A C 2.077 179.647 177.584 -0.023 0.000 1.158 417 A CA 1.996 54.038 52.037 0.008 0.000 0.665 417 A CB -0.520 18.488 19.000 0.012 0.000 0.795 417 A HN 1.113 nan 8.150 nan 0.000 0.460 418 S N -2.258 113.416 115.700 -0.042 0.000 2.701 418 S HA 0.285 4.754 4.470 -0.000 0.000 0.242 418 S C -0.176 174.214 174.600 -0.350 0.000 1.025 418 S CA -0.488 57.619 58.200 -0.156 0.000 1.016 418 S CB -0.205 62.889 63.200 -0.175 0.000 0.977 418 S HN 0.496 nan 8.310 nan 0.000 0.546 419 H N 1.554 120.530 119.070 -0.155 0.000 2.860 419 H HA 0.436 4.992 4.556 -0.000 0.000 0.312 419 H C -2.376 172.924 175.328 -0.047 0.000 0.995 419 H CA -1.513 54.464 56.048 -0.119 0.000 1.311 419 H CB 1.660 31.318 29.762 -0.174 0.000 1.478 419 H HN 0.000 nan 8.280 nan 0.000 0.508 420 P HA -0.177 nan 4.420 nan 0.000 0.216 420 P C 0.826 178.183 177.300 0.095 0.000 1.150 420 P CA 1.226 64.353 63.100 0.044 0.000 0.837 420 P CB 0.572 32.284 31.700 0.020 0.000 0.786 421 E N -0.835 119.432 120.200 0.112 0.000 2.072 421 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 421 E C 1.856 178.587 176.600 0.219 0.000 0.982 421 E CA 0.648 57.138 56.400 0.149 0.000 0.803 421 E CB -1.196 28.516 29.700 0.020 0.000 0.755 421 E HN 0.100 nan 8.360 nan 0.000 0.453 422 L N 0.638 121.950 121.223 0.149 0.000 2.056 422 L HA -0.035 4.304 4.340 -0.000 0.000 0.207 422 L C 2.045 179.000 176.870 0.141 0.000 1.078 422 L CA 1.948 56.875 54.840 0.144 0.000 0.749 422 L CB -0.863 41.257 42.059 0.102 0.000 0.901 422 L HN 0.118 nan 8.230 nan 0.000 0.433 423 A N -0.450 122.435 122.820 0.109 0.000 1.877 423 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 423 A C 2.466 180.081 177.584 0.052 0.000 1.186 423 A CA 1.844 53.923 52.037 0.070 0.000 0.620 423 A CB -1.216 17.811 19.000 0.045 0.000 0.822 423 A HN 0.553 nan 8.150 nan 0.000 0.443 424 A N -0.215 122.642 122.820 0.061 0.000 1.940 424 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 424 A C 2.467 179.981 177.584 -0.117 0.000 1.176 424 A CA 2.223 54.239 52.037 -0.034 0.000 0.631 424 A CB -0.925 18.065 19.000 -0.016 0.000 0.814 424 A HN 1.077 nan 8.150 nan 0.000 0.446 425 A N -0.598 122.264 122.820 0.070 0.000 1.968 425 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 425 A C 2.145 179.844 177.584 0.191 0.000 1.169 425 A CA 1.191 53.345 52.037 0.194 0.000 0.638 425 A CB -0.457 18.831 19.000 0.481 0.000 0.812 425 A HN 0.459 nan 8.150 nan 0.000 0.446 426 L N -1.111 120.189 121.223 0.129 0.000 2.027 426 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 426 L C 2.890 179.776 176.870 0.027 0.000 1.074 426 L CA 1.369 56.270 54.840 0.103 0.000 0.745 426 L CB -0.504 41.606 42.059 0.085 0.000 0.898 426 L HN 0.369 nan 8.230 nan 0.000 0.433 427 R N -0.130 120.351 120.500 -0.032 0.000 2.097 427 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 427 R C 2.354 178.550 176.300 -0.173 0.000 1.135 427 R CA 1.729 57.779 56.100 -0.084 0.000 0.934 427 R CB -0.535 29.707 30.300 -0.097 0.000 0.846 427 R HN 0.371 nan 8.270 nan 0.000 0.431 428 A N 0.253 122.864 122.820 -0.347 0.000 1.969 428 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 428 A C 0.723 177.881 177.584 -0.710 0.000 1.169 428 A CA 1.075 52.713 52.037 -0.666 0.000 0.635 428 A CB -0.085 18.242 19.000 -1.121 0.000 0.810 428 A HN 0.165 nan 8.150 nan 0.000 0.445 429 F N 0.000 119.950 119.950 -0.000 0.000 2.286 429 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 429 F CA 0.000 58.016 58.000 0.027 0.000 1.383 429 F CB 0.000 39.030 39.000 0.050 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574