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 2ihu_1_A DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LS 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.551 176.600 -0.082 0.000 0.988 11 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 11 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 12 P HA -0.005 nan 4.420 nan 0.000 0.265 12 P C -0.291 176.970 177.300 -0.065 0.000 1.193 12 P CA 0.003 62.990 63.100 -0.188 0.000 0.765 12 P CB 0.503 31.947 31.700 -0.426 0.000 0.823 13 T N -1.368 113.185 114.554 -0.002 0.000 2.893 13 T HA 0.566 4.916 4.350 -0.001 0.000 0.279 13 T C 1.295 176.033 174.700 0.063 0.000 0.991 13 T CA -0.203 61.911 62.100 0.024 0.000 0.950 13 T CB 0.887 69.761 68.868 0.011 0.000 1.223 13 T HN 0.196 nan 8.240 nan 0.000 0.585 14 A N 0.154 123.005 122.820 0.052 0.000 1.978 14 A HA 0.173 4.493 4.320 -0.001 0.000 0.220 14 A C 2.580 180.199 177.584 0.057 0.000 1.170 14 A CA 1.953 54.026 52.037 0.060 0.000 0.636 14 A CB -1.624 17.404 19.000 0.046 0.000 0.810 14 A HN 1.224 nan 8.150 nan 0.000 0.448 15 A N -0.826 122.013 122.820 0.030 0.000 1.908 15 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 15 A C 1.997 179.567 177.584 -0.024 0.000 1.181 15 A CA 2.084 54.105 52.037 -0.027 0.000 0.627 15 A CB -0.874 18.058 19.000 -0.113 0.000 0.818 15 A HN 0.814 nan 8.150 nan 0.000 0.445 16 H N -0.426 118.608 119.070 -0.060 0.000 2.326 16 H HA 0.069 4.624 4.556 -0.001 0.000 0.301 16 H C 2.154 177.477 175.328 -0.009 0.000 1.081 16 H CA 1.851 57.873 56.048 -0.042 0.000 1.334 16 H CB -0.159 29.582 29.762 -0.033 0.000 1.385 16 H HN 0.398 nan 8.280 nan 0.000 0.504 17 A N 0.531 123.448 122.820 0.161 0.000 1.972 17 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 17 A C 2.317 179.930 177.584 0.049 0.000 1.169 17 A CA 1.468 53.576 52.037 0.119 0.000 0.635 17 A CB -0.740 18.332 19.000 0.120 0.000 0.810 17 A HN 0.516 nan 8.150 nan 0.000 0.446 18 L N -0.352 120.898 121.223 0.044 0.000 2.023 18 L HA -0.024 4.316 4.340 -0.001 0.000 0.205 18 L C 2.212 179.111 176.870 0.050 0.000 1.073 18 L CA 1.699 56.577 54.840 0.065 0.000 0.745 18 L CB -0.579 41.544 42.059 0.106 0.000 0.900 18 L HN 0.356 nan 8.230 nan 0.000 0.435 19 L N -0.756 120.463 121.223 -0.007 0.000 2.083 19 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 19 L C 2.758 179.592 176.870 -0.059 0.000 1.083 19 L CA 1.435 56.263 54.840 -0.020 0.000 0.752 19 L CB -0.824 41.187 42.059 -0.079 0.000 0.899 19 L HN 0.469 nan 8.230 nan 0.000 0.433 20 S N -0.069 115.546 115.700 -0.141 0.000 2.368 20 S HA -0.227 4.243 4.470 -0.001 0.000 0.225 20 S C 2.208 176.794 174.600 -0.023 0.000 1.030 20 S CA 1.293 59.418 58.200 -0.124 0.000 0.999 20 S CB -0.088 63.008 63.200 -0.173 0.000 0.844 20 S HN 0.240 nan 8.310 nan 0.000 0.459 21 R N 1.008 121.521 120.500 0.021 0.000 2.090 21 R HA 0.220 4.560 4.340 -0.001 0.000 0.228 21 R C 2.234 178.622 176.300 0.147 0.000 1.110 21 R CA 1.332 57.477 56.100 0.074 0.000 0.973 21 R CB -1.059 29.303 30.300 0.103 0.000 0.869 21 R HN 0.519 nan 8.270 nan 0.000 0.440 22 L N -0.147 121.152 121.223 0.126 0.000 2.012 22 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 22 L C 2.535 179.471 176.870 0.110 0.000 1.073 22 L CA 1.789 56.713 54.840 0.140 0.000 0.748 22 L CB -0.435 41.693 42.059 0.114 0.000 0.891 22 L HN 0.136 nan 8.230 nan 0.000 0.431 23 R N 0.547 121.078 120.500 0.051 0.000 2.091 23 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 23 R C 1.838 178.141 176.300 0.005 0.000 1.136 23 R CA 1.696 57.808 56.100 0.020 0.000 0.959 23 R CB -0.470 29.824 30.300 -0.011 0.000 0.856 23 R HN 0.297 nan 8.270 nan 0.000 0.437 24 D N -0.603 119.783 120.400 -0.024 0.000 2.182 24 D HA -0.170 4.469 4.640 -0.001 0.000 0.201 24 D C 1.071 177.267 176.300 -0.175 0.000 0.986 24 D CA 1.198 55.131 54.000 -0.112 0.000 0.847 24 D CB -0.216 40.477 40.800 -0.178 0.000 0.942 24 D HN 0.451 nan 8.370 nan 0.000 0.467 25 H N -0.993 118.081 119.070 0.006 0.000 2.524 25 H HA 0.262 4.817 4.556 -0.001 0.000 0.280 25 H C 1.464 176.799 175.328 0.010 0.000 1.018 25 H CA 0.775 56.827 56.048 0.008 0.000 1.165 25 H CB 0.579 30.345 29.762 0.008 0.000 1.411 25 H HN 0.219 nan 8.280 nan 0.000 0.569 26 G N 0.721 109.570 108.800 0.082 0.000 2.175 26 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.244 26 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.244 26 G C 0.348 175.279 174.900 0.052 0.000 0.982 26 G CA 0.269 45.402 45.100 0.055 0.000 0.641 26 G HN 0.218 nan 8.290 nan 0.000 0.527 27 V N 0.904 120.858 119.914 0.066 0.000 2.521 27 V HA 0.523 4.642 4.120 -0.001 0.000 0.286 27 V C 1.564 177.669 176.094 0.019 0.000 1.034 27 V CA 1.229 63.559 62.300 0.050 0.000 1.045 27 V CB 1.314 33.178 31.823 0.068 0.000 0.974 27 V HN 0.678 nan 8.190 nan 0.000 0.480 28 G N 4.402 113.198 108.800 -0.006 0.000 3.079 28 G HA2 0.205 4.164 3.960 -0.001 0.000 0.233 28 G HA3 0.205 4.164 3.960 -0.001 0.000 0.233 28 G C 0.398 175.245 174.900 -0.090 0.000 1.062 28 G CA -0.125 44.955 45.100 -0.033 0.000 0.809 28 G HN 0.496 nan 8.290 nan 0.000 0.535 29 K N 0.520 120.835 120.400 -0.142 0.000 2.464 29 K HA 0.594 4.913 4.320 -0.001 0.000 0.253 29 K C -1.631 174.760 176.600 -0.349 0.000 0.933 29 K CA -0.593 55.489 56.287 -0.340 0.000 0.801 29 K CB 3.016 35.170 32.500 -0.577 0.000 1.271 29 K HN -0.123 nan 8.250 nan 0.000 0.430 30 V N 3.519 123.161 119.914 -0.453 0.000 2.407 30 V HA 0.418 4.537 4.120 -0.001 0.000 0.291 30 V C -0.764 174.861 176.094 -0.782 0.000 1.018 30 V CA -0.832 61.248 62.300 -0.366 0.000 0.842 30 V CB 0.605 32.360 31.823 -0.115 0.000 0.996 30 V HN 0.528 nan 8.190 nan 0.000 0.426 31 F N 3.110 122.820 119.950 -0.402 0.000 2.396 31 F HA 0.845 5.371 4.527 -0.001 0.000 0.343 31 F C 1.028 176.551 175.800 -0.461 0.000 1.104 31 F CA 0.483 58.188 58.000 -0.492 0.000 1.161 31 F CB 1.743 40.585 39.000 -0.263 0.000 1.146 31 F HN 0.714 nan 8.300 nan 0.000 0.522 32 G N 0.808 109.378 108.800 -0.384 0.000 2.336 32 G HA2 0.433 4.393 3.960 -0.001 0.000 0.286 32 G HA3 0.433 4.393 3.960 -0.001 0.000 0.286 32 G C -2.350 172.721 174.900 0.285 0.000 1.269 32 G CA -0.777 44.362 45.100 0.064 0.000 0.873 32 G HN 0.468 nan 8.290 nan 0.000 0.494 33 V N 0.353 120.515 119.914 0.413 0.000 2.531 33 V HA 0.595 4.714 4.120 -0.001 0.000 0.301 33 V C 0.001 176.330 176.094 0.392 0.000 1.034 33 V CA -0.684 61.821 62.300 0.342 0.000 0.865 33 V CB 1.422 33.348 31.823 0.172 0.000 0.995 33 V HN 0.736 nan 8.190 nan 0.000 0.424 34 V N 4.102 124.150 119.914 0.224 0.000 2.509 34 V HA 0.772 4.892 4.120 -0.001 0.000 0.284 34 V C 0.893 177.084 176.094 0.161 0.000 1.047 34 V CA 0.353 62.764 62.300 0.184 0.000 0.952 34 V CB 1.241 32.987 31.823 -0.129 0.000 0.988 34 V HN 0.964 nan 8.190 nan 0.000 0.469 35 G N 3.417 112.345 108.800 0.214 0.000 2.940 35 G HA2 0.302 4.262 3.960 -0.001 0.000 0.164 35 G HA3 0.302 4.262 3.960 -0.001 0.000 0.164 35 G C 0.817 175.788 174.900 0.119 0.000 1.326 35 G CA -0.176 45.007 45.100 0.138 0.000 1.020 35 G HN 0.737 nan 8.290 nan 0.000 0.586 36 R N 0.139 120.700 120.500 0.102 0.000 2.285 36 R HA -0.014 4.326 4.340 -0.001 0.000 0.213 36 R C 1.671 178.023 176.300 0.086 0.000 1.068 36 R CA 1.800 57.950 56.100 0.083 0.000 1.004 36 R CB -0.267 30.082 30.300 0.081 0.000 0.873 36 R HN 0.544 nan 8.270 nan 0.000 0.467 37 E N 1.535 121.812 120.200 0.128 0.000 2.463 37 E HA -0.145 4.204 4.350 -0.001 0.000 0.201 37 E C 1.519 178.172 176.600 0.088 0.000 1.045 37 E CA 1.109 57.596 56.400 0.144 0.000 0.872 37 E CB -0.076 29.787 29.700 0.273 0.000 0.797 37 E HN 0.491 nan 8.360 nan 0.000 0.538 38 A N 1.664 124.521 122.820 0.061 0.000 2.084 38 A HA -0.028 4.291 4.320 -0.001 0.000 0.221 38 A C 2.462 180.025 177.584 -0.035 0.000 1.161 38 A CA 1.782 53.809 52.037 -0.016 0.000 0.653 38 A CB -0.600 18.394 19.000 -0.010 0.000 0.802 38 A HN 0.439 nan 8.150 nan 0.000 0.457 39 A N -1.026 121.793 122.820 -0.003 0.000 2.015 39 A HA 0.016 4.336 4.320 -0.001 0.000 0.219 39 A C 2.244 179.816 177.584 -0.021 0.000 1.163 39 A CA 1.905 53.938 52.037 -0.007 0.000 0.646 39 A CB -0.360 18.648 19.000 0.014 0.000 0.806 39 A HN 0.445 nan 8.150 nan 0.000 0.448 40 S N -1.871 113.816 115.700 -0.022 0.000 2.502 40 S HA 0.386 4.855 4.470 -0.001 0.000 0.215 40 S C 0.272 174.807 174.600 -0.108 0.000 1.009 40 S CA -0.040 58.139 58.200 -0.035 0.000 0.908 40 S CB 0.146 63.351 63.200 0.009 0.000 0.801 40 S HN 0.487 nan 8.310 nan 0.000 0.505 41 I N 0.995 121.447 120.570 -0.197 0.000 2.548 41 I HA 0.333 4.502 4.170 -0.001 0.000 0.287 41 I C -0.127 175.687 176.117 -0.505 0.000 1.103 41 I CA -0.494 60.535 61.300 -0.452 0.000 1.049 41 I CB 1.411 38.964 38.000 -0.745 0.000 1.232 41 I HN 0.033 nan 8.210 nan 0.000 0.429 42 L N 6.709 127.675 121.223 -0.428 0.000 2.253 42 L HA 0.233 4.573 4.340 -0.001 0.000 0.205 42 L C 0.317 177.083 176.870 -0.174 0.000 1.078 42 L CA 0.780 55.473 54.840 -0.245 0.000 0.805 42 L CB 0.127 42.106 42.059 -0.134 0.000 0.963 42 L HN 0.849 nan 8.230 nan 0.000 0.459 43 F N -0.603 119.209 119.950 -0.230 0.000 2.271 43 F HA -0.212 4.315 4.527 -0.001 0.000 0.353 43 F C 0.817 176.549 175.800 -0.113 0.000 0.587 43 F CA 0.617 58.492 58.000 -0.207 0.000 1.803 43 F CB -1.672 37.152 39.000 -0.293 0.000 2.380 43 F HN 0.335 nan 8.300 nan 0.000 0.271 44 D N -0.531 119.872 120.400 0.005 0.000 2.395 44 D HA 0.152 4.791 4.640 -0.001 0.000 0.213 44 D C 1.334 177.628 176.300 -0.009 0.000 1.110 44 D CA 0.448 54.452 54.000 0.007 0.000 0.835 44 D CB -0.023 40.778 40.800 0.001 0.000 0.965 44 D HN 0.291 nan 8.370 nan 0.000 0.505 45 E N -0.061 120.115 120.200 -0.040 0.000 2.110 45 E HA -0.001 4.348 4.350 -0.001 0.000 0.193 45 E C 0.180 176.773 176.600 -0.012 0.000 0.988 45 E CA 0.835 57.233 56.400 -0.003 0.000 0.804 45 E CB 0.264 29.945 29.700 -0.031 0.000 0.745 45 E HN 0.147 nan 8.360 nan 0.000 0.458 46 V N 1.426 121.296 119.914 -0.073 0.000 2.531 46 V HA 0.170 4.289 4.120 -0.001 0.000 0.301 46 V C -0.397 175.675 176.094 -0.035 0.000 1.034 46 V CA -0.822 61.419 62.300 -0.098 0.000 0.865 46 V CB 1.856 33.562 31.823 -0.195 0.000 0.995 46 V HN 0.014 nan 8.190 nan 0.000 0.424 47 E N 2.761 122.951 120.200 -0.016 0.000 2.344 47 E HA 0.449 4.798 4.350 -0.001 0.000 0.270 47 E C 1.093 177.686 176.600 -0.011 0.000 1.021 47 E CA 0.836 57.232 56.400 -0.006 0.000 0.887 47 E CB 0.909 30.610 29.700 0.003 0.000 0.997 47 E HN 1.091 nan 8.360 nan 0.000 0.429 48 G N 3.250 112.044 108.800 -0.009 0.000 2.179 48 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.220 48 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.220 48 G C -0.007 174.884 174.900 -0.015 0.000 0.990 48 G CA -0.192 44.901 45.100 -0.011 0.000 0.646 48 G HN 0.535 nan 8.290 nan 0.000 0.517 49 I N 1.666 122.229 120.570 -0.012 0.000 2.468 49 I HA 0.480 4.650 4.170 -0.001 0.000 0.285 49 I C -1.479 174.636 176.117 -0.003 0.000 1.039 49 I CA -0.914 60.380 61.300 -0.011 0.000 1.074 49 I CB 1.229 39.233 38.000 0.007 0.000 1.228 49 I HN -0.030 nan 8.210 nan 0.000 0.436 50 D N 7.061 127.431 120.400 -0.050 0.000 2.252 50 D HA 0.260 4.899 4.640 -0.001 0.000 0.245 50 D C -0.940 175.290 176.300 -0.117 0.000 1.009 50 D CA -0.132 53.837 54.000 -0.051 0.000 0.870 50 D CB 2.399 43.151 40.800 -0.082 0.000 1.251 50 D HN 0.263 nan 8.370 nan 0.000 0.460 51 F N 1.314 121.122 119.950 -0.237 0.000 2.396 51 F HA 0.263 4.789 4.527 -0.001 0.000 0.343 51 F C -0.248 175.360 175.800 -0.319 0.000 1.104 51 F CA -0.360 57.406 58.000 -0.391 0.000 1.161 51 F CB 0.923 39.592 39.000 -0.551 0.000 1.146 51 F HN -0.026 nan 8.300 nan 0.000 0.522 52 V N 7.915 127.296 119.914 -0.889 0.000 2.304 52 V HA 0.223 4.343 4.120 -0.001 0.000 0.278 52 V C -0.555 175.245 176.094 -0.489 0.000 1.018 52 V CA -0.824 61.148 62.300 -0.546 0.000 0.814 52 V CB 1.001 32.453 31.823 -0.618 0.000 1.021 52 V HN 0.601 nan 8.190 nan 0.000 0.440 53 L N 6.475 127.636 121.223 -0.103 0.000 2.319 53 L HA 0.640 4.979 4.340 -0.001 0.000 0.280 53 L C 0.695 177.597 176.870 0.053 0.000 1.099 53 L CA 0.900 55.797 54.840 0.094 0.000 0.828 53 L CB 1.303 43.488 42.059 0.210 0.000 1.150 53 L HN 0.853 nan 8.230 nan 0.000 0.442 54 T N 1.745 116.341 114.554 0.069 0.000 2.938 54 T HA 0.531 4.881 4.350 -0.001 0.000 0.285 54 T C 0.941 175.692 174.700 0.084 0.000 1.028 54 T CA -0.841 61.298 62.100 0.065 0.000 1.005 54 T CB 1.318 70.218 68.868 0.053 0.000 1.157 54 T HN 0.519 nan 8.240 nan 0.000 0.550 55 R N -0.198 120.352 120.500 0.083 0.000 2.246 55 R HA 0.217 4.557 4.340 -0.001 0.000 0.199 55 R C 0.523 176.913 176.300 0.149 0.000 0.984 55 R CA 0.521 56.678 56.100 0.094 0.000 1.015 55 R CB -0.715 29.626 30.300 0.069 0.000 0.930 55 R HN 0.783 nan 8.270 nan 0.000 0.475 56 H N -0.526 118.574 119.070 0.050 0.000 2.996 56 H HA 0.159 4.714 4.556 -0.001 0.000 0.368 56 H C -0.170 175.211 175.328 0.089 0.000 1.185 56 H CA -0.275 55.817 56.048 0.073 0.000 1.160 56 H CB 1.966 31.775 29.762 0.078 0.000 1.820 56 H HN -0.229 nan 8.280 nan 0.000 0.547 57 E N 2.673 122.834 120.200 -0.066 0.000 2.150 57 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 57 E C 1.573 178.298 176.600 0.209 0.000 0.985 57 E CA 1.033 57.472 56.400 0.066 0.000 0.814 57 E CB -0.077 29.617 29.700 -0.011 0.000 0.752 57 E HN 0.460 nan 8.360 nan 0.000 0.466 58 F N 1.596 121.739 119.950 0.323 0.000 2.091 58 F HA -0.299 4.227 4.527 -0.001 0.000 0.299 58 F C 2.024 177.864 175.800 0.067 0.000 1.103 58 F CA 1.932 60.050 58.000 0.196 0.000 1.228 58 F CB -0.788 38.318 39.000 0.176 0.000 0.984 58 F HN -0.064 nan 8.300 nan 0.000 0.477 59 T N 0.802 115.307 114.554 -0.082 0.000 2.720 59 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 59 T C 2.215 176.736 174.700 -0.298 0.000 1.037 59 T CA 1.544 63.477 62.100 -0.279 0.000 1.144 59 T CB -0.913 67.910 68.868 -0.075 0.000 0.864 59 T HN 0.422 nan 8.240 nan 0.000 0.444 60 A N 1.358 124.097 122.820 -0.136 0.000 1.877 60 A HA 0.123 4.443 4.320 -0.001 0.000 0.216 60 A C 2.654 180.116 177.584 -0.204 0.000 1.186 60 A CA 1.842 53.812 52.037 -0.112 0.000 0.620 60 A CB -1.352 17.668 19.000 0.033 0.000 0.822 60 A HN 0.513 nan 8.150 nan 0.000 0.443 61 G N -0.759 107.944 108.800 -0.161 0.000 2.422 61 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.218 61 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.218 61 G C 1.476 176.217 174.900 -0.266 0.000 1.146 61 G CA 1.239 46.251 45.100 -0.147 0.000 0.769 61 G HN 0.323 nan 8.290 nan 0.000 0.547 62 V N 1.349 120.999 119.914 -0.440 0.000 2.453 62 V HA -0.035 4.085 4.120 -0.001 0.000 0.247 62 V C 3.275 179.066 176.094 -0.506 0.000 1.048 62 V CA 1.760 63.770 62.300 -0.483 0.000 1.049 62 V CB -0.605 30.771 31.823 -0.745 0.000 0.672 62 V HN 0.457 nan 8.190 nan 0.000 0.457 63 A N 0.184 122.628 122.820 -0.627 0.000 1.902 63 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 63 A C 2.417 179.485 177.584 -0.860 0.000 1.181 63 A CA 2.076 53.621 52.037 -0.819 0.000 0.623 63 A CB -0.711 17.597 19.000 -1.152 0.000 0.818 63 A HN 0.552 nan 8.150 nan 0.000 0.443 64 A N -0.012 122.360 122.820 -0.746 0.000 1.898 64 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 64 A C 1.964 179.430 177.584 -0.196 0.000 1.181 64 A CA 1.817 53.656 52.037 -0.329 0.000 0.620 64 A CB -0.639 18.315 19.000 -0.077 0.000 0.819 64 A HN 0.665 nan 8.150 nan 0.000 0.442 65 D N 0.065 120.343 120.400 -0.204 0.000 2.092 65 D HA -0.151 4.488 4.640 -0.001 0.000 0.193 65 D C 1.928 178.129 176.300 -0.165 0.000 0.994 65 D CA 2.127 56.043 54.000 -0.141 0.000 0.828 65 D CB -0.076 40.660 40.800 -0.107 0.000 0.963 65 D HN 0.211 nan 8.370 nan 0.000 0.450 66 V N 1.045 120.825 119.914 -0.224 0.000 2.358 66 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 66 V C 2.696 178.672 176.094 -0.196 0.000 1.047 66 V CA 1.213 63.378 62.300 -0.225 0.000 1.035 66 V CB -0.591 31.072 31.823 -0.266 0.000 0.658 66 V HN 0.226 nan 8.190 nan 0.000 0.452 67 L N 0.948 122.063 121.223 -0.180 0.000 2.042 67 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 67 L C 2.436 179.270 176.870 -0.060 0.000 1.076 67 L CA 2.415 57.203 54.840 -0.087 0.000 0.749 67 L CB -0.925 41.126 42.059 -0.014 0.000 0.893 67 L HN 0.244 nan 8.230 nan 0.000 0.432 68 A N -0.590 122.187 122.820 -0.071 0.000 1.930 68 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 68 A C 2.517 180.053 177.584 -0.079 0.000 1.175 68 A CA 1.696 53.704 52.037 -0.049 0.000 0.627 68 A CB -0.613 18.362 19.000 -0.041 0.000 0.815 68 A HN 0.518 nan 8.150 nan 0.000 0.443 69 R N -0.173 120.230 120.500 -0.161 0.000 2.073 69 R HA -0.076 4.263 4.340 -0.001 0.000 0.234 69 R C 1.903 178.041 176.300 -0.271 0.000 1.134 69 R CA 1.949 57.873 56.100 -0.294 0.000 0.952 69 R CB -0.395 29.602 30.300 -0.506 0.000 0.850 69 R HN 0.529 nan 8.270 nan 0.000 0.433 70 I N 0.448 120.894 120.570 -0.206 0.000 2.286 70 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 70 I C 2.419 178.572 176.117 0.060 0.000 1.104 70 I CA 1.676 62.960 61.300 -0.027 0.000 1.397 70 I CB -0.447 37.545 38.000 -0.014 0.000 1.072 70 I HN 0.419 nan 8.210 nan 0.000 0.417 71 T N -1.693 112.875 114.554 0.024 0.000 2.985 71 T HA 0.070 4.419 4.350 -0.001 0.000 0.266 71 T C 1.732 176.464 174.700 0.053 0.000 1.076 71 T CA 0.721 62.847 62.100 0.043 0.000 1.135 71 T CB -0.209 68.680 68.868 0.034 0.000 0.890 71 T HN 0.539 nan 8.240 nan 0.000 0.480 72 G N 1.694 110.523 108.800 0.047 0.000 2.153 72 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.252 72 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.252 72 G C 0.067 174.990 174.900 0.038 0.000 0.994 72 G CA 0.193 45.324 45.100 0.052 0.000 0.698 72 G HN 0.743 nan 8.290 nan 0.000 0.521 73 R N -0.047 120.472 120.500 0.031 0.000 2.740 73 R HA 0.490 4.830 4.340 -0.001 0.000 0.282 73 R C -2.793 173.523 176.300 0.027 0.000 0.969 73 R CA -2.238 53.883 56.100 0.035 0.000 0.918 73 R CB 1.678 32.004 30.300 0.043 0.000 1.175 73 R HN -0.004 nan 8.270 nan 0.000 0.464 74 P HA -0.058 nan 4.420 nan 0.000 0.265 74 P C -0.731 176.590 177.300 0.035 0.000 1.187 74 P CA 0.294 63.401 63.100 0.012 0.000 0.766 74 P CB 0.671 32.360 31.700 -0.019 0.000 0.820 75 Q N 0.968 120.793 119.800 0.042 0.000 2.633 75 Q HA 0.846 5.185 4.340 -0.001 0.000 0.292 75 Q C -0.929 175.129 176.000 0.097 0.000 1.089 75 Q CA -0.951 54.901 55.803 0.081 0.000 0.811 75 Q CB 2.350 31.148 28.738 0.099 0.000 1.472 75 Q HN 0.420 nan 8.270 nan 0.000 0.464 76 A N 0.188 123.098 122.820 0.150 0.000 2.486 76 A HA 0.779 5.098 4.320 -0.001 0.000 0.300 76 A C -0.574 177.138 177.584 0.214 0.000 1.048 76 A CA -0.535 51.599 52.037 0.160 0.000 0.696 76 A CB 0.788 19.881 19.000 0.155 0.000 1.278 76 A HN 0.829 nan 8.150 nan 0.000 0.405 77 C N -0.346 119.077 119.300 0.205 0.000 3.044 77 C HA 0.973 5.432 4.460 -0.001 0.000 0.315 77 C C -0.990 174.185 174.990 0.308 0.000 1.320 77 C CA -0.946 58.205 59.018 0.221 0.000 1.582 77 C CB 1.441 29.265 27.740 0.140 0.000 2.039 77 C HN 1.068 nan 8.230 nan 0.000 0.466 78 W N 1.183 122.551 121.300 0.113 0.000 3.097 78 W HA 0.641 5.301 4.660 -0.001 0.000 0.335 78 W C -1.008 175.622 176.519 0.185 0.000 1.114 78 W CA -0.073 57.388 57.345 0.194 0.000 1.231 78 W CB 2.178 31.823 29.460 0.309 0.000 1.388 78 W HN 1.290 nan 8.180 nan 0.000 0.485 79 A N 2.747 125.457 122.820 -0.184 0.000 2.532 79 A HA 0.656 4.976 4.320 -0.001 0.000 0.290 79 A C -0.642 176.877 177.584 -0.109 0.000 1.143 79 A CA -0.427 51.611 52.037 0.003 0.000 0.728 79 A CB 1.879 20.888 19.000 0.014 0.000 1.317 79 A HN 0.457 nan 8.150 nan 0.000 0.414 80 T N -0.088 114.507 114.554 0.068 0.000 2.771 80 T HA 0.518 4.867 4.350 -0.001 0.000 0.290 80 T C 0.622 175.322 174.700 0.000 0.000 1.005 80 T CA -0.030 62.112 62.100 0.070 0.000 0.944 80 T CB -0.135 68.801 68.868 0.114 0.000 1.147 80 T HN 0.967 nan 8.240 nan 0.000 0.534 81 L N -0.159 121.066 121.223 0.003 0.000 2.476 81 L HA 0.630 4.969 4.340 -0.001 0.000 0.255 81 L C 1.435 178.286 176.870 -0.031 0.000 1.218 81 L CA -0.313 54.517 54.840 -0.017 0.000 0.819 81 L CB -0.966 41.079 42.059 -0.023 0.000 1.119 81 L HN 0.898 nan 8.230 nan 0.000 0.485 82 G N 1.022 109.799 108.800 -0.038 0.000 2.634 82 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.318 82 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.318 82 G C -1.033 173.841 174.900 -0.043 0.000 1.207 82 G CA 0.440 45.509 45.100 -0.051 0.000 0.987 82 G HN 0.790 nan 8.290 nan 0.000 0.547 83 P HA 0.000 nan 4.420 nan 0.000 0.223 83 P C 1.908 179.185 177.300 -0.040 0.000 1.151 83 P CA 2.291 65.369 63.100 -0.037 0.000 0.787 83 P CB -0.641 31.039 31.700 -0.033 0.000 0.788 84 G N 0.811 109.592 108.800 -0.031 0.000 2.433 84 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 84 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 84 G C 1.549 176.436 174.900 -0.023 0.000 1.186 84 G CA 0.991 46.078 45.100 -0.022 0.000 0.779 84 G HN 0.159 nan 8.290 nan 0.000 0.543 85 M N 2.027 121.613 119.600 -0.023 0.000 2.117 85 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 85 M C 2.734 178.993 176.300 -0.067 0.000 1.065 85 M CA 2.517 57.796 55.300 -0.035 0.000 1.114 85 M CB -1.209 31.381 32.600 -0.018 0.000 1.361 85 M HN 0.399 nan 8.290 nan 0.000 0.408 86 T N -0.874 113.647 114.554 -0.055 0.000 2.821 86 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 86 T C 1.606 176.302 174.700 -0.007 0.000 1.046 86 T CA 1.609 63.682 62.100 -0.046 0.000 1.139 86 T CB -0.674 68.172 68.868 -0.036 0.000 0.871 86 T HN 0.326 nan 8.240 nan 0.000 0.454 87 N N 1.456 120.156 118.700 0.000 0.000 2.120 87 N HA 0.021 4.760 4.740 -0.001 0.000 0.188 87 N C 1.722 177.299 175.510 0.111 0.000 1.024 87 N CA 0.866 53.946 53.050 0.051 0.000 0.852 87 N CB -0.781 37.627 38.487 -0.130 0.000 1.003 87 N HN 0.291 nan 8.380 nan 0.000 0.424 88 L N 1.230 122.483 121.223 0.051 0.000 2.127 88 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 88 L C 2.240 179.147 176.870 0.061 0.000 1.089 88 L CA 1.368 56.249 54.840 0.069 0.000 0.757 88 L CB -0.835 41.247 42.059 0.039 0.000 0.899 88 L HN 0.254 nan 8.230 nan 0.000 0.434 89 S N -2.585 113.119 115.700 0.007 0.000 2.419 89 S HA -0.213 4.257 4.470 -0.001 0.000 0.235 89 S C 1.835 176.461 174.600 0.044 0.000 1.019 89 S CA 1.673 59.855 58.200 -0.031 0.000 0.982 89 S CB -0.987 62.160 63.200 -0.087 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.490 90 T N 1.414 116.044 114.554 0.126 0.000 2.867 90 T HA 0.091 4.440 4.350 -0.001 0.000 0.268 90 T C 1.967 176.861 174.700 0.324 0.000 1.057 90 T CA 1.230 63.450 62.100 0.201 0.000 1.136 90 T CB -0.966 68.004 68.868 0.169 0.000 0.874 90 T HN 0.646 nan 8.240 nan 0.000 0.466 91 G N 1.319 110.301 108.800 0.304 0.000 2.402 91 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.216 91 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.216 91 G C 1.507 176.447 174.900 0.066 0.000 1.162 91 G CA 0.335 45.509 45.100 0.125 0.000 0.777 91 G HN 0.481 nan 8.290 nan 0.000 0.539 92 I N 1.440 122.042 120.570 0.053 0.000 2.179 92 I HA -0.174 3.995 4.170 -0.001 0.000 0.242 92 I C 3.297 179.428 176.117 0.024 0.000 1.088 92 I CA 0.988 62.301 61.300 0.022 0.000 1.357 92 I CB -0.244 37.741 38.000 -0.025 0.000 1.051 92 I HN 0.232 nan 8.210 nan 0.000 0.409 93 A N 0.363 123.203 122.820 0.033 0.000 1.940 93 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 93 A C 2.382 179.994 177.584 0.046 0.000 1.176 93 A CA 2.494 54.548 52.037 0.030 0.000 0.631 93 A CB -1.128 17.890 19.000 0.029 0.000 0.814 93 A HN 0.393 nan 8.150 nan 0.000 0.446 94 T N -0.544 114.064 114.554 0.090 0.000 2.652 94 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 94 T C 2.295 177.021 174.700 0.043 0.000 1.039 94 T CA 1.936 64.093 62.100 0.095 0.000 1.153 94 T CB -0.380 68.588 68.868 0.167 0.000 0.863 94 T HN 0.579 nan 8.240 nan 0.000 0.428 95 S N 0.020 115.736 115.700 0.028 0.000 2.382 95 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 95 S C 2.145 176.749 174.600 0.006 0.000 1.027 95 S CA 1.147 59.352 58.200 0.008 0.000 0.991 95 S CB -0.499 62.705 63.200 0.006 0.000 0.823 95 S HN 0.280 nan 8.310 nan 0.000 0.469 96 V N 0.953 120.873 119.914 0.010 0.000 2.453 96 V HA 0.068 4.188 4.120 -0.001 0.000 0.247 96 V C 2.125 178.218 176.094 -0.003 0.000 1.048 96 V CA 1.609 63.913 62.300 0.006 0.000 1.049 96 V CB -0.273 31.555 31.823 0.007 0.000 0.672 96 V HN 0.545 nan 8.190 nan 0.000 0.457 97 L N -0.488 120.730 121.223 -0.008 0.000 2.209 97 L HA 0.001 4.340 4.340 -0.001 0.000 0.207 97 L C 1.938 178.788 176.870 -0.035 0.000 1.094 97 L CA 1.284 56.110 54.840 -0.024 0.000 0.790 97 L CB -0.327 41.714 42.059 -0.030 0.000 0.932 97 L HN 0.303 nan 8.230 nan 0.000 0.447 98 D N -0.286 120.098 120.400 -0.027 0.000 2.348 98 D HA 0.019 4.658 4.640 -0.001 0.000 0.211 98 D C -0.196 176.088 176.300 -0.026 0.000 0.998 98 D CA 0.143 54.123 54.000 -0.034 0.000 0.873 98 D CB 0.280 41.064 40.800 -0.026 0.000 0.925 98 D HN -0.044 nan 8.370 nan 0.000 0.524 99 R N 0.349 120.838 120.500 -0.018 0.000 2.650 99 R HA -0.096 4.243 4.340 -0.001 0.000 0.315 99 R C -0.696 175.592 176.300 -0.020 0.000 0.986 99 R CA 0.162 56.255 56.100 -0.012 0.000 0.744 99 R CB -3.165 27.131 30.300 -0.006 0.000 2.072 99 R HN 0.314 nan 8.270 nan 0.000 0.477 100 S N 0.113 115.801 115.700 -0.020 0.000 2.540 100 S HA 0.766 5.235 4.470 -0.001 0.000 0.275 100 S C -2.797 171.794 174.600 -0.015 0.000 1.123 100 S CA -1.654 56.527 58.200 -0.031 0.000 0.907 100 S CB 3.630 66.798 63.200 -0.053 0.000 1.081 100 S HN 0.160 nan 8.310 nan 0.000 0.476 101 P HA 0.321 nan 4.420 nan 0.000 0.256 101 P C -0.821 176.477 177.300 -0.003 0.000 1.689 101 P CA -0.250 62.845 63.100 -0.008 0.000 1.124 101 P CB 0.283 31.977 31.700 -0.011 0.000 1.766 102 V N 5.254 125.173 119.914 0.008 0.000 2.483 102 V HA 0.312 4.431 4.120 -0.001 0.000 0.295 102 V C 0.566 176.687 176.094 0.045 0.000 1.035 102 V CA -0.726 61.588 62.300 0.024 0.000 0.896 102 V CB 2.015 33.849 31.823 0.018 0.000 0.986 102 V HN 0.288 nan 8.190 nan 0.000 0.447 103 I N 4.339 124.942 120.570 0.055 0.000 2.306 103 I HA 0.496 4.665 4.170 -0.001 0.000 0.288 103 I C 0.546 176.729 176.117 0.109 0.000 1.036 103 I CA -0.312 61.029 61.300 0.069 0.000 1.221 103 I CB 0.866 38.892 38.000 0.043 0.000 1.385 103 I HN 0.665 nan 8.210 nan 0.000 0.472 104 A N 8.302 131.207 122.820 0.142 0.000 2.274 104 A HA 0.822 5.141 4.320 -0.001 0.000 0.309 104 A C -0.412 177.253 177.584 0.135 0.000 1.226 104 A CA -0.413 51.734 52.037 0.184 0.000 0.853 104 A CB 0.651 19.801 19.000 0.250 0.000 1.146 104 A HN 0.678 nan 8.150 nan 0.000 0.518 105 L N 1.844 123.079 121.223 0.019 0.000 2.365 105 L HA 0.821 5.161 4.340 -0.001 0.000 0.273 105 L C 0.126 176.703 176.870 -0.489 0.000 1.000 105 L CA -0.441 54.235 54.840 -0.273 0.000 0.819 105 L CB 2.204 44.145 42.059 -0.197 0.000 1.284 105 L HN 0.778 nan 8.230 nan 0.000 0.418 106 A N 1.817 124.318 122.820 -0.533 0.000 2.455 106 A HA 0.884 5.203 4.320 -0.001 0.000 0.300 106 A C -0.404 176.936 177.584 -0.407 0.000 1.040 106 A CA -0.431 51.349 52.037 -0.430 0.000 0.697 106 A CB 1.576 20.615 19.000 0.066 0.000 1.265 106 A HN 0.792 nan 8.150 nan 0.000 0.407 107 A N 0.864 123.483 122.820 -0.335 0.000 2.429 107 A HA 0.565 4.884 4.320 -0.001 0.000 0.242 107 A C 0.185 177.728 177.584 -0.069 0.000 1.088 107 A CA 0.396 52.361 52.037 -0.121 0.000 0.784 107 A CB 0.377 19.399 19.000 0.037 0.000 1.038 107 A HN 1.177 nan 8.150 nan 0.000 0.501 108 Q N -0.143 119.630 119.800 -0.046 0.000 2.456 108 Q HA 0.523 4.863 4.340 -0.001 0.000 0.284 108 Q C -0.425 175.552 176.000 -0.038 0.000 1.061 108 Q CA -0.305 55.474 55.803 -0.041 0.000 0.799 108 Q CB 1.691 30.396 28.738 -0.055 0.000 1.445 108 Q HN 0.765 nan 8.270 nan 0.000 0.411 109 S N 1.671 117.341 115.700 -0.049 0.000 2.550 109 S HA 0.011 4.481 4.470 -0.001 0.000 0.285 109 S C -0.483 174.054 174.600 -0.105 0.000 1.326 109 S CA -0.033 58.129 58.200 -0.064 0.000 1.037 109 S CB 0.006 63.161 63.200 -0.074 0.000 0.838 109 S HN 0.559 nan 8.310 nan 0.000 0.519 110 E N 1.678 121.797 120.200 -0.135 0.000 2.568 110 E HA -0.025 4.324 4.350 -0.001 0.000 0.262 110 E C 1.382 177.805 176.600 -0.295 0.000 0.961 110 E CA 0.567 56.846 56.400 -0.201 0.000 0.945 110 E CB 0.299 29.821 29.700 -0.297 0.000 0.924 110 E HN 0.644 nan 8.360 nan 0.000 0.467 111 S N 3.424 119.028 115.700 -0.159 0.000 2.374 111 S HA -0.305 4.164 4.470 -0.001 0.000 0.227 111 S C 1.663 176.160 174.600 -0.172 0.000 1.037 111 S CA 1.762 59.888 58.200 -0.123 0.000 1.024 111 S CB -0.590 62.594 63.200 -0.027 0.000 0.861 111 S HN 0.780 nan 8.310 nan 0.000 0.456 112 H N -0.309 118.712 119.070 -0.081 0.000 2.555 112 H HA 0.218 4.774 4.556 -0.001 0.000 0.269 112 H C 0.458 175.705 175.328 -0.134 0.000 0.988 112 H CA 1.144 57.141 56.048 -0.085 0.000 1.178 112 H CB -0.324 29.427 29.762 -0.017 0.000 1.373 112 H HN 0.488 nan 8.280 nan 0.000 0.588 113 D N 0.662 120.745 120.400 -0.529 0.000 2.501 113 D HA 0.203 4.842 4.640 -0.001 0.000 0.224 113 D C -0.173 175.887 176.300 -0.401 0.000 1.202 113 D CA -0.335 53.463 54.000 -0.337 0.000 0.829 113 D CB -0.133 40.509 40.800 -0.264 0.000 1.023 113 D HN 0.275 nan 8.370 nan 0.000 0.499 114 I N 1.552 121.779 120.570 -0.573 0.000 2.329 114 I HA 0.150 4.319 4.170 -0.001 0.000 0.295 114 I C -0.599 175.118 176.117 -0.667 0.000 1.109 114 I CA -0.002 61.037 61.300 -0.435 0.000 1.297 114 I CB -0.017 37.812 38.000 -0.284 0.000 1.433 114 I HN -0.099 nan 8.210 nan 0.000 0.509 115 F N 7.222 127.161 119.950 -0.018 0.000 2.676 115 F HA 0.392 4.919 4.527 -0.001 0.000 0.371 115 F C -2.304 173.491 175.800 -0.008 0.000 1.141 115 F CA -2.750 55.245 58.000 -0.008 0.000 1.133 115 F CB 0.785 39.785 39.000 -0.000 0.000 1.376 115 F HN 0.239 nan 8.300 nan 0.000 0.491 116 P HA 0.065 nan 4.420 nan 0.000 0.262 116 P C 0.062 177.403 177.300 0.069 0.000 1.182 116 P CA 0.710 63.845 63.100 0.059 0.000 0.761 116 P CB 0.394 32.112 31.700 0.029 0.000 0.795 117 N N 1.164 119.892 118.700 0.047 0.000 2.878 117 N HA -0.164 4.575 4.740 -0.001 0.000 0.247 117 N C 0.167 175.706 175.510 0.049 0.000 1.021 117 N CA 1.294 54.366 53.050 0.037 0.000 0.873 117 N CB -1.502 37.001 38.487 0.026 0.000 1.128 117 N HN 0.524 nan 8.380 nan 0.000 0.571 118 D N -1.070 119.378 120.400 0.080 0.000 2.680 118 D HA 0.075 4.714 4.640 -0.001 0.000 0.295 118 D C 0.143 176.503 176.300 0.101 0.000 1.097 118 D CA 0.595 54.639 54.000 0.073 0.000 0.952 118 D CB 0.051 40.883 40.800 0.053 0.000 1.491 118 D HN 0.028 nan 8.370 nan 0.000 0.486 119 T N 1.159 115.810 114.554 0.162 0.000 2.916 119 T HA 0.006 4.355 4.350 -0.001 0.000 0.303 119 T C 0.180 174.958 174.700 0.129 0.000 1.025 119 T CA 0.046 62.246 62.100 0.167 0.000 1.142 119 T CB 0.481 69.463 68.868 0.190 0.000 0.947 119 T HN 0.099 nan 8.240 nan 0.000 0.544 120 H N 3.161 122.259 119.070 0.047 0.000 3.192 120 H HA -0.058 4.498 4.556 -0.001 0.000 0.295 120 H C 1.085 176.429 175.328 0.028 0.000 0.943 120 H CA 1.172 57.239 56.048 0.032 0.000 1.416 120 H CB -0.134 29.646 29.762 0.029 0.000 1.434 120 H HN 0.787 nan 8.280 nan 0.000 0.565 121 Q N 1.353 120.927 119.800 -0.378 0.000 2.416 121 Q HA -0.272 4.067 4.340 -0.001 0.000 0.235 121 Q C -0.413 175.508 176.000 -0.132 0.000 0.773 121 Q CA 1.071 56.683 55.803 -0.319 0.000 1.286 121 Q CB -1.787 26.680 28.738 -0.451 0.000 1.556 121 Q HN 0.630 nan 8.270 nan 0.000 0.650 122 C N 1.376 120.638 119.300 -0.064 0.000 2.265 122 C HA 0.668 5.127 4.460 -0.001 0.000 0.332 122 C C 0.213 175.194 174.990 -0.015 0.000 1.248 122 C CA -0.440 58.562 59.018 -0.026 0.000 1.727 122 C CB -0.392 27.352 27.740 0.007 0.000 2.348 122 C HN 0.333 nan 8.230 nan 0.000 0.519 123 L N 4.325 125.536 121.223 -0.021 0.000 2.323 123 L HA 0.458 4.798 4.340 -0.001 0.000 0.265 123 L C -0.098 176.765 176.870 -0.011 0.000 1.012 123 L CA -0.553 54.278 54.840 -0.016 0.000 0.820 123 L CB 1.319 43.362 42.059 -0.027 0.000 1.334 123 L HN 0.461 nan 8.230 nan 0.000 0.427 124 D N 0.272 120.665 120.400 -0.011 0.000 2.551 124 D HA 0.094 4.733 4.640 -0.001 0.000 0.223 124 D C 0.853 177.147 176.300 -0.009 0.000 1.144 124 D CA 0.195 54.190 54.000 -0.009 0.000 1.025 124 D CB 0.707 41.501 40.800 -0.010 0.000 1.085 124 D HN 0.448 nan 8.370 nan 0.000 0.506 125 S N 0.937 116.649 115.700 0.019 0.000 2.359 125 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 125 S C 2.192 176.814 174.600 0.036 0.000 1.035 125 S CA 0.730 58.950 58.200 0.034 0.000 1.018 125 S CB 0.008 63.332 63.200 0.207 0.000 0.876 125 S HN 0.428 nan 8.310 nan 0.000 0.448 126 V N 2.060 122.057 119.914 0.138 0.000 2.332 126 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 126 V C 2.650 178.747 176.094 0.006 0.000 1.055 126 V CA 1.757 64.131 62.300 0.123 0.000 1.038 126 V CB -1.221 30.642 31.823 0.067 0.000 0.651 126 V HN 0.563 nan 8.190 nan 0.000 0.450 127 A N -0.419 122.392 122.820 -0.014 0.000 1.969 127 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 127 A C 2.146 179.697 177.584 -0.055 0.000 1.169 127 A CA 1.617 53.636 52.037 -0.032 0.000 0.635 127 A CB -0.473 18.512 19.000 -0.024 0.000 0.810 127 A HN 0.532 nan 8.150 nan 0.000 0.445 128 I N -0.830 119.693 120.570 -0.078 0.000 2.353 128 I HA -0.136 4.034 4.170 -0.001 0.000 0.248 128 I C 2.039 178.064 176.117 -0.154 0.000 1.119 128 I CA 0.802 62.038 61.300 -0.107 0.000 1.417 128 I CB 0.008 37.939 38.000 -0.115 0.000 1.078 128 I HN 0.134 nan 8.210 nan 0.000 0.421 129 V N 0.503 120.281 119.914 -0.227 0.000 2.878 129 V HA 0.002 4.121 4.120 -0.001 0.000 0.250 129 V C 2.615 178.624 176.094 -0.142 0.000 1.075 129 V CA 1.188 63.310 62.300 -0.296 0.000 1.096 129 V CB -0.446 30.937 31.823 -0.733 0.000 0.724 129 V HN 0.397 nan 8.190 nan 0.000 0.467 130 A N 1.207 123.979 122.820 -0.081 0.000 1.927 130 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 130 A C 0.470 178.035 177.584 -0.031 0.000 1.185 130 A CA 2.376 54.390 52.037 -0.038 0.000 0.639 130 A CB -1.932 17.048 19.000 -0.033 0.000 0.820 130 A HN 0.554 nan 8.150 nan 0.000 0.451 131 P HA -0.062 nan 4.420 nan 0.000 0.230 131 P C 1.025 178.310 177.300 -0.026 0.000 1.158 131 P CA 1.299 64.381 63.100 -0.029 0.000 0.769 131 P CB -0.107 31.573 31.700 -0.034 0.000 0.807 132 M N -3.115 116.463 119.600 -0.037 0.000 2.589 132 M HA 0.387 4.866 4.480 -0.001 0.000 0.344 132 M C -0.349 175.943 176.300 -0.014 0.000 1.168 132 M CA -0.396 54.887 55.300 -0.029 0.000 0.956 132 M CB 0.584 33.157 32.600 -0.046 0.000 1.370 132 M HN -0.259 nan 8.290 nan 0.000 0.518 133 S N -1.269 114.434 115.700 0.005 0.000 2.638 133 S HA 0.583 5.053 4.470 -0.001 0.000 0.274 133 S C 0.237 174.875 174.600 0.062 0.000 1.157 133 S CA -0.958 57.267 58.200 0.041 0.000 0.826 133 S CB 1.690 64.929 63.200 0.066 0.000 1.139 133 S HN 0.157 nan 8.310 nan 0.000 0.474 134 K N -0.392 120.064 120.400 0.094 0.000 2.305 134 K HA 0.222 4.541 4.320 -0.001 0.000 0.199 134 K C -0.512 176.202 176.600 0.191 0.000 1.047 134 K CA 0.928 57.280 56.287 0.109 0.000 0.976 134 K CB -0.385 32.169 32.500 0.089 0.000 0.765 134 K HN 0.722 nan 8.250 nan 0.000 0.474 135 Y N -0.932 119.390 120.300 0.037 0.000 2.465 135 Y HA 0.418 4.967 4.550 -0.001 0.000 0.323 135 Y C -2.124 173.824 175.900 0.081 0.000 1.191 135 Y CA -1.149 56.975 58.100 0.040 0.000 1.082 135 Y CB 1.364 39.837 38.460 0.021 0.000 1.334 135 Y HN -0.064 nan 8.280 nan 0.000 0.449 136 A N 4.736 127.319 122.820 -0.395 0.000 2.465 136 A HA 0.756 5.076 4.320 -0.001 0.000 0.292 136 A C -2.261 175.097 177.584 -0.377 0.000 1.041 136 A CA -0.358 51.574 52.037 -0.174 0.000 0.718 136 A CB 1.391 20.437 19.000 0.077 0.000 1.266 136 A HN 1.258 nan 8.150 nan 0.000 0.403 137 V N 1.527 121.244 119.914 -0.328 0.000 3.087 137 V HA 0.682 4.801 4.120 -0.001 0.000 0.306 137 V C -1.021 174.948 176.094 -0.209 0.000 1.187 137 V CA -0.485 61.640 62.300 -0.293 0.000 0.999 137 V CB 2.043 33.656 31.823 -0.351 0.000 1.049 137 V HN 1.016 nan 8.190 nan 0.000 0.431 138 E N 3.591 123.704 120.200 -0.146 0.000 2.171 138 E HA 0.447 4.796 4.350 -0.001 0.000 0.271 138 E C -1.157 175.379 176.600 -0.106 0.000 0.916 138 E CA -0.862 55.459 56.400 -0.131 0.000 0.774 138 E CB 1.825 31.471 29.700 -0.090 0.000 1.128 138 E HN 0.667 nan 8.360 nan 0.000 0.403 139 L N 4.197 125.356 121.223 -0.107 0.000 2.499 139 L HA -0.002 4.337 4.340 -0.001 0.000 0.273 139 L C 0.395 177.228 176.870 -0.063 0.000 1.195 139 L CA 1.193 55.986 54.840 -0.078 0.000 0.882 139 L CB 0.603 42.622 42.059 -0.068 0.000 1.133 139 L HN 0.766 nan 8.230 nan 0.000 0.483 140 Q N 3.438 123.204 119.800 -0.056 0.000 2.384 140 Q HA 0.313 4.653 4.340 -0.001 0.000 0.264 140 Q C -0.225 175.758 176.000 -0.028 0.000 0.825 140 Q CA 0.032 55.811 55.803 -0.040 0.000 0.984 140 Q CB 0.880 29.596 28.738 -0.038 0.000 1.183 140 Q HN 0.574 nan 8.270 nan 0.000 0.537 141 R N 0.649 121.117 120.500 -0.052 0.000 2.435 141 R HA 0.244 4.584 4.340 -0.001 0.000 0.308 141 R C -2.269 173.981 176.300 -0.083 0.000 0.975 141 R CA -1.784 54.293 56.100 -0.038 0.000 0.867 141 R CB 1.511 31.786 30.300 -0.041 0.000 1.171 141 R HN -0.109 nan 8.270 nan 0.000 0.470 142 P HA -0.290 nan 4.420 nan 0.000 0.218 142 P C 0.979 178.288 177.300 0.015 0.000 1.154 142 P CA 1.475 64.588 63.100 0.022 0.000 0.872 142 P CB 0.019 31.758 31.700 0.065 0.000 0.790 143 H N -0.477 118.605 119.070 0.020 0.000 2.491 143 H HA 0.020 4.575 4.556 -0.001 0.000 0.290 143 H C 1.129 176.474 175.328 0.027 0.000 1.050 143 H CA 1.030 57.092 56.048 0.023 0.000 1.309 143 H CB -0.764 29.009 29.762 0.018 0.000 1.392 143 H HN 0.245 nan 8.280 nan 0.000 0.554 144 E N 0.292 120.179 120.200 -0.521 0.000 2.482 144 E HA -0.021 4.329 4.350 -0.001 0.000 0.196 144 E C 1.741 178.274 176.600 -0.111 0.000 1.047 144 E CA 0.104 56.307 56.400 -0.329 0.000 0.869 144 E CB 0.013 29.505 29.700 -0.346 0.000 0.836 144 E HN 0.290 nan 8.360 nan 0.000 0.520 145 I N 1.085 121.617 120.570 -0.063 0.000 2.335 145 I HA -0.263 3.906 4.170 -0.001 0.000 0.251 145 I C 1.927 178.056 176.117 0.020 0.000 1.129 145 I CA 1.551 62.846 61.300 -0.008 0.000 1.402 145 I CB -0.234 37.776 38.000 0.016 0.000 1.069 145 I HN -0.009 nan 8.210 nan 0.000 0.424 146 T N 0.606 115.177 114.554 0.029 0.000 2.708 146 T HA -0.199 4.150 4.350 -0.001 0.000 0.266 146 T C 1.437 176.165 174.700 0.046 0.000 1.037 146 T CA 1.819 63.949 62.100 0.051 0.000 1.146 146 T CB -0.547 68.357 68.868 0.060 0.000 0.865 146 T HN 0.685 nan 8.240 nan 0.000 0.435 147 D N 1.128 121.544 120.400 0.026 0.000 2.224 147 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 147 D C 1.981 178.288 176.300 0.012 0.000 0.965 147 D CA 0.629 54.642 54.000 0.022 0.000 0.852 147 D CB -0.669 40.142 40.800 0.019 0.000 0.947 147 D HN 0.333 nan 8.370 nan 0.000 0.494 148 L N 0.228 121.463 121.223 0.021 0.000 2.056 148 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 148 L C 2.515 179.386 176.870 0.003 0.000 1.078 148 L CA 0.581 55.455 54.840 0.057 0.000 0.749 148 L CB -0.361 41.738 42.059 0.066 0.000 0.901 148 L HN 0.062 nan 8.230 nan 0.000 0.433 149 V N -0.062 119.853 119.914 0.002 0.000 2.295 149 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 149 V C 2.139 178.167 176.094 -0.109 0.000 1.049 149 V CA 1.935 64.219 62.300 -0.027 0.000 1.024 149 V CB -0.520 31.329 31.823 0.043 0.000 0.648 149 V HN 0.424 nan 8.190 nan 0.000 0.447 150 D N 0.020 120.403 120.400 -0.028 0.000 2.123 150 D HA -0.129 4.511 4.640 -0.001 0.000 0.196 150 D C 2.447 178.649 176.300 -0.164 0.000 0.992 150 D CA 1.748 55.735 54.000 -0.022 0.000 0.833 150 D CB -0.281 40.558 40.800 0.065 0.000 0.954 150 D HN 0.370 nan 8.370 nan 0.000 0.455 151 S N 0.160 115.720 115.700 -0.234 0.000 2.402 151 S HA -0.063 4.406 4.470 -0.001 0.000 0.229 151 S C 2.039 176.136 174.600 -0.838 0.000 1.021 151 S CA 0.868 58.799 58.200 -0.448 0.000 0.974 151 S CB -0.099 62.864 63.200 -0.394 0.000 0.800 151 S HN 0.356 nan 8.310 nan 0.000 0.484 152 A N 1.292 123.653 122.820 -0.765 0.000 1.858 152 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 152 A C 2.329 179.717 177.584 -0.325 0.000 1.190 152 A CA 1.649 53.352 52.037 -0.558 0.000 0.617 152 A CB -1.012 17.882 19.000 -0.177 0.000 0.827 152 A HN 0.335 nan 8.150 nan 0.000 0.443 153 V N 0.952 120.680 119.914 -0.311 0.000 2.295 153 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 153 V C 2.364 178.341 176.094 -0.195 0.000 1.049 153 V CA 2.169 64.298 62.300 -0.285 0.000 1.024 153 V CB -1.143 30.363 31.823 -0.527 0.000 0.648 153 V HN 0.542 nan 8.190 nan 0.000 0.447 154 N N 0.762 119.345 118.700 -0.195 0.000 2.037 154 N HA -0.213 4.527 4.740 -0.001 0.000 0.196 154 N C 1.854 177.298 175.510 -0.110 0.000 1.034 154 N CA 2.098 55.070 53.050 -0.129 0.000 0.861 154 N CB -0.660 37.749 38.487 -0.131 0.000 1.039 154 N HN 0.514 nan 8.380 nan 0.000 0.427 155 A N 0.421 123.148 122.820 -0.154 0.000 1.930 155 A HA 0.138 4.458 4.320 -0.001 0.000 0.217 155 A C 2.312 179.876 177.584 -0.033 0.000 1.175 155 A CA 1.772 53.767 52.037 -0.070 0.000 0.627 155 A CB -0.765 18.213 19.000 -0.038 0.000 0.815 155 A HN 0.337 nan 8.150 nan 0.000 0.443 156 A N -1.207 121.580 122.820 -0.054 0.000 1.933 156 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 156 A C 1.844 179.414 177.584 -0.022 0.000 1.175 156 A CA 1.639 53.660 52.037 -0.026 0.000 0.628 156 A CB -0.313 18.664 19.000 -0.038 0.000 0.814 156 A HN 0.390 nan 8.150 nan 0.000 0.444 157 M N 0.734 120.313 119.600 -0.035 0.000 2.493 157 M HA 0.129 4.608 4.480 -0.001 0.000 0.244 157 M C -0.445 175.848 176.300 -0.013 0.000 1.182 157 M CA 0.484 55.772 55.300 -0.020 0.000 0.981 157 M CB -0.614 31.973 32.600 -0.022 0.000 1.551 157 M HN 0.135 nan 8.290 nan 0.000 0.476 158 T N 1.169 115.715 114.554 -0.013 0.000 2.795 158 T HA 0.281 4.631 4.350 -0.001 0.000 0.282 158 T C 0.364 175.062 174.700 -0.003 0.000 0.980 158 T CA -0.639 61.457 62.100 -0.008 0.000 1.012 158 T CB 1.866 70.730 68.868 -0.006 0.000 0.936 158 T HN 0.096 nan 8.240 nan 0.000 0.457 159 E N 4.002 124.198 120.200 -0.006 0.000 2.384 159 E HA 0.144 4.493 4.350 -0.001 0.000 0.266 159 E C -2.115 174.484 176.600 -0.001 0.000 1.012 159 E CA -1.778 54.620 56.400 -0.005 0.000 0.901 159 E CB 0.396 30.089 29.700 -0.012 0.000 0.967 159 E HN 0.364 nan 8.360 nan 0.000 0.435 160 P HA 0.022 nan 4.420 nan 0.000 0.282 160 P C 0.068 177.371 177.300 0.005 0.000 1.262 160 P CA -0.346 62.756 63.100 0.003 0.000 0.773 160 P CB 0.584 32.286 31.700 0.005 0.000 0.879 161 V N 1.552 121.468 119.914 0.004 0.000 2.999 161 V HA 0.701 4.820 4.120 -0.001 0.000 0.307 161 V C 0.586 176.683 176.094 0.005 0.000 1.084 161 V CA 0.508 62.810 62.300 0.004 0.000 1.155 161 V CB -0.055 31.770 31.823 0.003 0.000 0.975 161 V HN 0.903 nan 8.190 nan 0.000 0.490 162 G N 2.980 111.786 108.800 0.009 0.000 2.489 162 G HA2 0.613 4.572 3.960 -0.001 0.000 0.305 162 G HA3 0.613 4.572 3.960 -0.001 0.000 0.305 162 G C -3.494 171.422 174.900 0.027 0.000 1.311 162 G CA -0.561 44.548 45.100 0.015 0.000 0.813 162 G HN 0.739 nan 8.290 nan 0.000 0.480 163 P HA 0.496 nan 4.420 nan 0.000 0.282 163 P C -0.726 176.638 177.300 0.107 0.000 1.249 163 P CA -0.222 62.916 63.100 0.063 0.000 0.806 163 P CB 1.825 33.560 31.700 0.059 0.000 0.984 164 S N 1.751 117.532 115.700 0.135 0.000 2.500 164 S HA 0.596 5.065 4.470 -0.001 0.000 0.301 164 S C -1.039 173.726 174.600 0.276 0.000 1.092 164 S CA -0.322 58.016 58.200 0.229 0.000 1.030 164 S CB 0.582 63.886 63.200 0.173 0.000 1.031 164 S HN 0.425 nan 8.310 nan 0.000 0.483 165 F N 3.628 123.654 119.950 0.126 0.000 2.482 165 F HA 0.707 5.233 4.527 -0.001 0.000 0.331 165 F C -1.257 174.561 175.800 0.029 0.000 1.115 165 F CA -1.048 56.975 58.000 0.039 0.000 0.955 165 F CB 0.615 39.606 39.000 -0.015 0.000 1.136 165 F HN 0.439 nan 8.300 nan 0.000 0.452 166 I N 4.875 124.969 120.570 -0.795 0.000 2.418 166 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 166 I C -0.448 175.027 176.117 -1.070 0.000 1.008 166 I CA -0.772 60.101 61.300 -0.713 0.000 1.104 166 I CB 1.883 39.721 38.000 -0.270 0.000 1.264 166 I HN 0.537 nan 8.210 nan 0.000 0.438 167 S N 7.074 122.247 115.700 -0.877 0.000 2.499 167 S HA 0.652 5.122 4.470 -0.001 0.000 0.279 167 S C -0.583 173.846 174.600 -0.285 0.000 1.219 167 S CA -0.442 57.440 58.200 -0.529 0.000 1.062 167 S CB 0.406 63.467 63.200 -0.232 0.000 0.978 167 S HN 0.480 nan 8.310 nan 0.000 0.489 168 L N 6.710 127.799 121.223 -0.222 0.000 2.417 168 L HA 0.395 4.734 4.340 -0.001 0.000 0.259 168 L C -2.460 174.369 176.870 -0.067 0.000 1.023 168 L CA -2.025 52.738 54.840 -0.129 0.000 0.901 168 L CB 1.588 43.578 42.059 -0.114 0.000 1.227 168 L HN 0.445 nan 8.230 nan 0.000 0.454 169 P HA -0.021 nan 4.420 nan 0.000 0.264 169 P C 1.224 178.519 177.300 -0.008 0.000 1.193 169 P CA 0.053 63.127 63.100 -0.042 0.000 0.763 169 P CB 1.078 32.746 31.700 -0.053 0.000 0.810 170 V N 3.475 123.392 119.914 0.005 0.000 2.380 170 V HA -0.279 3.840 4.120 -0.001 0.000 0.251 170 V C 2.002 178.117 176.094 0.035 0.000 1.063 170 V CA 2.508 64.829 62.300 0.035 0.000 1.055 170 V CB -1.035 30.812 31.823 0.041 0.000 0.657 170 V HN 0.670 nan 8.190 nan 0.000 0.455 171 D N 0.176 120.595 120.400 0.032 0.000 2.117 171 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 171 D C 2.012 178.337 176.300 0.040 0.000 0.982 171 D CA 1.445 55.475 54.000 0.050 0.000 0.828 171 D CB -0.546 40.309 40.800 0.090 0.000 0.967 171 D HN 0.445 nan 8.370 nan 0.000 0.464 172 L N -0.453 120.787 121.223 0.029 0.000 2.072 172 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 172 L C 2.676 179.562 176.870 0.027 0.000 1.079 172 L CA 0.329 55.184 54.840 0.024 0.000 0.752 172 L CB -0.477 41.587 42.059 0.008 0.000 0.906 172 L HN 0.036 nan 8.230 nan 0.000 0.436 173 L N 0.678 121.920 121.223 0.031 0.000 2.043 173 L HA -0.119 4.220 4.340 -0.001 0.000 0.212 173 L C 1.987 178.874 176.870 0.029 0.000 1.075 173 L CA 2.027 56.893 54.840 0.044 0.000 0.752 173 L CB -0.877 41.229 42.059 0.078 0.000 0.891 173 L HN 0.155 nan 8.230 nan 0.000 0.432 174 G N -1.544 107.270 108.800 0.023 0.000 3.314 174 G HA2 0.104 4.064 3.960 -0.001 0.000 0.238 174 G HA3 0.104 4.064 3.960 -0.001 0.000 0.238 174 G C 0.289 175.197 174.900 0.013 0.000 1.184 174 G CA 0.455 45.560 45.100 0.010 0.000 0.806 174 G HN 0.349 nan 8.290 nan 0.000 0.536 175 S N -0.096 115.618 115.700 0.022 0.000 2.525 175 S HA 0.426 4.895 4.470 -0.001 0.000 0.290 175 S C 1.385 176.000 174.600 0.025 0.000 1.152 175 S CA 0.068 58.282 58.200 0.024 0.000 1.072 175 S CB 1.411 64.630 63.200 0.032 0.000 1.027 175 S HN 0.283 nan 8.310 nan 0.000 0.500 176 S N 2.466 118.176 115.700 0.016 0.000 2.577 176 S HA 0.180 4.649 4.470 -0.001 0.000 0.219 176 S C 0.392 175.006 174.600 0.022 0.000 0.962 176 S CA -0.391 57.817 58.200 0.013 0.000 0.921 176 S CB -0.316 62.880 63.200 -0.007 0.000 0.789 176 S HN 0.841 nan 8.310 nan 0.000 0.497 177 E N 1.481 121.701 120.200 0.033 0.000 2.498 177 E HA 0.313 4.662 4.350 -0.001 0.000 0.252 177 E C 1.179 177.814 176.600 0.058 0.000 1.025 177 E CA 0.741 57.163 56.400 0.036 0.000 0.938 177 E CB -0.466 29.260 29.700 0.044 0.000 0.947 177 E HN 0.544 nan 8.360 nan 0.000 0.478 178 G N 4.675 113.478 108.800 0.005 0.000 2.184 178 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.264 178 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.264 178 G C 0.281 175.170 174.900 -0.018 0.000 0.975 178 G CA 0.179 45.240 45.100 -0.065 0.000 0.642 178 G HN 0.549 nan 8.290 nan 0.000 0.536 179 I N 1.222 121.812 120.570 0.032 0.000 2.371 179 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 179 I C -0.487 175.633 176.117 0.004 0.000 1.028 179 I CA -0.250 61.076 61.300 0.044 0.000 1.345 179 I CB 1.408 39.436 38.000 0.046 0.000 1.407 179 I HN 0.052 nan 8.210 nan 0.000 0.501 180 D N 4.720 125.125 120.400 0.008 0.000 2.389 180 D HA 0.142 4.781 4.640 -0.001 0.000 0.256 180 D C 0.793 177.094 176.300 0.000 0.000 1.239 180 D CA -0.347 53.648 54.000 -0.009 0.000 0.925 180 D CB 1.220 42.011 40.800 -0.015 0.000 1.145 180 D HN 0.617 nan 8.370 nan 0.000 0.542 181 T N -0.562 113.982 114.554 -0.017 0.000 3.252 181 T HA -0.019 4.330 4.350 -0.001 0.000 0.250 181 T C 1.448 176.146 174.700 -0.005 0.000 1.123 181 T CA 0.759 62.856 62.100 -0.005 0.000 1.006 181 T CB -0.231 68.606 68.868 -0.051 0.000 0.992 181 T HN 0.322 nan 8.240 nan 0.000 0.547 182 T N -0.930 113.618 114.554 -0.010 0.000 3.044 182 T HA 0.219 4.569 4.350 -0.001 0.000 0.255 182 T C 0.645 175.345 174.700 0.000 0.000 1.073 182 T CA -0.158 61.938 62.100 -0.007 0.000 1.125 182 T CB -0.394 68.466 68.868 -0.013 0.000 0.908 182 T HN 0.233 nan 8.240 nan 0.000 0.480 183 V N 4.392 124.308 119.914 0.003 0.000 2.432 183 V HA 0.357 4.477 4.120 -0.001 0.000 0.271 183 V C -2.136 173.967 176.094 0.015 0.000 1.046 183 V CA -1.915 60.389 62.300 0.007 0.000 0.945 183 V CB 0.566 32.392 31.823 0.006 0.000 0.992 183 V HN 0.340 nan 8.190 nan 0.000 0.471 184 P HA 0.173 nan 4.420 nan 0.000 0.272 184 P C -0.271 177.039 177.300 0.016 0.000 1.223 184 P CA -0.463 62.647 63.100 0.015 0.000 0.784 184 P CB 0.397 32.102 31.700 0.009 0.000 0.923 185 N N 2.396 121.106 118.700 0.016 0.000 2.492 185 N HA 0.120 4.859 4.740 -0.001 0.000 0.260 185 N C -1.947 173.564 175.510 0.001 0.000 1.215 185 N CA -0.887 52.171 53.050 0.013 0.000 0.923 185 N CB -0.766 37.725 38.487 0.006 0.000 1.092 185 N HN 0.365 nan 8.380 nan 0.000 0.448 186 P HA 0.146 nan 4.420 nan 0.000 0.269 186 P C -2.489 174.798 177.300 -0.022 0.000 1.217 186 P CA -0.702 62.396 63.100 -0.002 0.000 0.783 186 P CB -0.617 31.088 31.700 0.008 0.000 0.898 187 P HA 0.003 nan 4.420 nan 0.000 0.265 187 P C 0.597 177.855 177.300 -0.070 0.000 1.193 187 P CA 0.288 63.361 63.100 -0.044 0.000 0.765 187 P CB 0.222 31.907 31.700 -0.025 0.000 0.823 188 A N 3.719 126.451 122.820 -0.146 0.000 1.897 188 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 188 A C 0.713 178.238 177.584 -0.099 0.000 1.181 188 A CA 0.813 52.679 52.037 -0.284 0.000 0.620 188 A CB -0.995 17.598 19.000 -0.678 0.000 0.821 188 A HN 0.647 nan 8.150 nan 0.000 0.443 189 N N 0.499 119.164 118.700 -0.059 0.000 2.725 189 N HA -0.114 4.625 4.740 -0.001 0.000 0.251 189 N C -0.573 174.975 175.510 0.062 0.000 1.031 189 N CA 1.305 54.359 53.050 0.007 0.000 0.720 189 N CB -2.125 36.370 38.487 0.014 0.000 0.930 189 N HN 0.528 nan 8.380 nan 0.000 0.543 190 T N 1.422 116.032 114.554 0.093 0.000 2.867 190 T HA 0.199 4.548 4.350 -0.001 0.000 0.297 190 T C -1.714 173.034 174.700 0.080 0.000 0.989 190 T CA -0.601 61.596 62.100 0.162 0.000 1.159 190 T CB 0.518 69.512 68.868 0.211 0.000 0.928 190 T HN 0.085 nan 8.240 nan 0.000 0.538 191 P HA 0.231 nan 4.420 nan 0.000 0.265 191 P C 0.443 177.765 177.300 0.037 0.000 1.193 191 P CA -0.279 62.844 63.100 0.037 0.000 0.765 191 P CB 0.452 32.166 31.700 0.023 0.000 0.823 192 A N 3.801 126.641 122.820 0.032 0.000 2.014 192 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 192 A C 0.836 178.439 177.584 0.032 0.000 1.163 192 A CA 1.287 53.344 52.037 0.033 0.000 0.652 192 A CB -0.504 18.514 19.000 0.029 0.000 0.808 192 A HN 0.665 nan 8.150 nan 0.000 0.449 193 K N -1.364 119.052 120.400 0.027 0.000 2.536 193 K HA 0.580 4.899 4.320 -0.001 0.000 0.269 193 K C -3.453 173.158 176.600 0.018 0.000 0.965 193 K CA -2.139 54.163 56.287 0.026 0.000 0.860 193 K CB 1.096 33.612 32.500 0.026 0.000 1.423 193 K HN -0.229 nan 8.250 nan 0.000 0.438 194 P HA -0.033 nan 4.420 nan 0.000 0.264 194 P C -0.559 176.740 177.300 -0.001 0.000 1.183 194 P CA -0.400 62.704 63.100 0.007 0.000 0.763 194 P CB 0.492 32.196 31.700 0.007 0.000 0.807 195 V N 3.294 123.206 119.914 -0.004 0.000 2.673 195 V HA 0.361 4.480 4.120 -0.001 0.000 0.303 195 V C 1.186 177.270 176.094 -0.016 0.000 1.046 195 V CA 0.827 63.122 62.300 -0.008 0.000 1.126 195 V CB 0.269 32.089 31.823 -0.006 0.000 0.934 195 V HN 0.802 nan 8.190 nan 0.000 0.487 196 G N 3.045 111.828 108.800 -0.028 0.000 2.569 196 G HA2 0.607 4.567 3.960 -0.001 0.000 0.300 196 G HA3 0.607 4.567 3.960 -0.001 0.000 0.300 196 G C -1.022 173.850 174.900 -0.046 0.000 1.269 196 G CA -0.703 44.371 45.100 -0.042 0.000 0.959 196 G HN 0.563 nan 8.290 nan 0.000 0.478 197 V N 0.204 120.089 119.914 -0.050 0.000 2.583 197 V HA 0.413 4.532 4.120 -0.001 0.000 0.287 197 V C -0.042 176.005 176.094 -0.078 0.000 1.051 197 V CA -0.305 61.968 62.300 -0.045 0.000 1.010 197 V CB 1.148 32.951 31.823 -0.032 0.000 0.988 197 V HN 0.447 nan 8.190 nan 0.000 0.478 198 V N 3.893 123.772 119.914 -0.057 0.000 2.525 198 V HA 0.711 4.830 4.120 -0.001 0.000 0.299 198 V C 0.217 176.328 176.094 0.028 0.000 1.034 198 V CA -0.631 61.624 62.300 -0.074 0.000 0.863 198 V CB 1.738 33.514 31.823 -0.080 0.000 0.999 198 V HN 1.007 nan 8.190 nan 0.000 0.423 199 A N 2.855 125.715 122.820 0.066 0.000 2.309 199 A HA 0.592 4.911 4.320 -0.001 0.000 0.298 199 A C -0.099 177.613 177.584 0.213 0.000 1.165 199 A CA -0.392 51.713 52.037 0.113 0.000 0.821 199 A CB 0.512 19.562 19.000 0.082 0.000 1.102 199 A HN 0.947 nan 8.150 nan 0.000 0.500 200 D N 1.502 121.984 120.400 0.137 0.000 2.525 200 D HA 0.344 4.983 4.640 -0.001 0.000 0.235 200 D C 1.378 177.727 176.300 0.080 0.000 1.137 200 D CA 2.053 56.118 54.000 0.108 0.000 0.868 200 D CB 0.268 41.101 40.800 0.056 0.000 1.180 200 D HN 1.292 nan 8.370 nan 0.000 0.465 201 G N 3.547 112.351 108.800 0.008 0.000 2.143 201 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.249 201 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.249 201 G C 1.068 175.946 174.900 -0.037 0.000 0.981 201 G CA 0.515 45.584 45.100 -0.052 0.000 0.665 201 G HN 0.721 nan 8.290 nan 0.000 0.528 202 W N 0.311 121.590 121.300 -0.035 0.000 2.374 202 W HA -0.117 4.543 4.660 -0.001 0.000 0.288 202 W C 1.510 177.985 176.519 -0.072 0.000 1.218 202 W CA 1.470 58.792 57.345 -0.039 0.000 1.245 202 W CB -0.758 28.683 29.460 -0.032 0.000 1.126 202 W HN 0.389 nan 8.180 nan 0.000 0.545 203 Q N 1.431 120.627 119.800 -1.006 0.000 2.096 203 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 203 Q C 2.334 178.109 176.000 -0.375 0.000 0.982 203 Q CA 2.684 57.804 55.803 -1.138 0.000 0.850 203 Q CB -0.615 27.419 28.738 -1.173 0.000 0.901 203 Q HN 0.375 nan 8.270 nan 0.000 0.422 204 K N 0.063 120.338 120.400 -0.208 0.000 2.057 204 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 204 K C 1.990 178.611 176.600 0.034 0.000 1.050 204 K CA 1.106 57.365 56.287 -0.048 0.000 0.935 204 K CB -0.175 32.299 32.500 -0.044 0.000 0.715 204 K HN 0.211 nan 8.250 nan 0.000 0.439 205 A N 1.205 124.057 122.820 0.054 0.000 1.883 205 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 205 A C 2.352 180.057 177.584 0.202 0.000 1.186 205 A CA 1.949 54.054 52.037 0.113 0.000 0.624 205 A CB -0.897 18.175 19.000 0.119 0.000 0.822 205 A HN 0.486 nan 8.150 nan 0.000 0.444 206 A N -0.192 122.799 122.820 0.285 0.000 1.972 206 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 206 A C 1.745 179.603 177.584 0.457 0.000 1.169 206 A CA 1.930 54.270 52.037 0.506 0.000 0.635 206 A CB -0.558 18.810 19.000 0.613 0.000 0.810 206 A HN 0.476 nan 8.150 nan 0.000 0.446 207 D N -0.330 120.244 120.400 0.290 0.000 2.117 207 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 207 D C 2.214 178.631 176.300 0.195 0.000 0.982 207 D CA 1.421 55.552 54.000 0.217 0.000 0.828 207 D CB -0.434 40.450 40.800 0.141 0.000 0.967 207 D HN 0.626 nan 8.370 nan 0.000 0.464 208 Q N 0.360 120.262 119.800 0.170 0.000 2.124 208 Q HA -0.093 4.246 4.340 -0.001 0.000 0.202 208 Q C 2.214 178.332 176.000 0.196 0.000 0.977 208 Q CA 1.410 57.301 55.803 0.147 0.000 0.850 208 Q CB -0.140 28.660 28.738 0.103 0.000 0.901 208 Q HN 0.219 nan 8.270 nan 0.000 0.429 209 A N 1.231 124.214 122.820 0.270 0.000 1.902 209 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 209 A C 2.324 180.200 177.584 0.487 0.000 1.181 209 A CA 1.616 53.861 52.037 0.347 0.000 0.623 209 A CB -0.791 18.437 19.000 0.379 0.000 0.818 209 A HN 0.406 nan 8.150 nan 0.000 0.443 210 A N -0.134 122.992 122.820 0.510 0.000 1.902 210 A HA 0.144 4.464 4.320 -0.001 0.000 0.217 210 A C 2.505 180.303 177.584 0.357 0.000 1.181 210 A CA 2.114 54.322 52.037 0.285 0.000 0.623 210 A CB -1.009 17.965 19.000 -0.044 0.000 0.818 210 A HN 1.074 nan 8.150 nan 0.000 0.443 211 A N -0.218 122.757 122.820 0.257 0.000 1.902 211 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 211 A C 2.161 179.826 177.584 0.135 0.000 1.181 211 A CA 1.499 53.640 52.037 0.173 0.000 0.623 211 A CB -0.603 18.467 19.000 0.117 0.000 0.818 211 A HN 0.481 nan 8.150 nan 0.000 0.443 212 L N -1.153 120.165 121.223 0.159 0.000 2.083 212 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 212 L C 2.565 179.520 176.870 0.142 0.000 1.083 212 L CA 1.128 56.044 54.840 0.126 0.000 0.752 212 L CB -0.531 41.601 42.059 0.123 0.000 0.899 212 L HN 0.465 nan 8.230 nan 0.000 0.433 213 L N 0.303 121.673 121.223 0.245 0.000 2.027 213 L HA -0.121 4.218 4.340 -0.001 0.000 0.206 213 L C 2.693 179.658 176.870 0.157 0.000 1.074 213 L CA 1.950 56.954 54.840 0.274 0.000 0.745 213 L CB -0.784 41.545 42.059 0.449 0.000 0.898 213 L HN 0.138 nan 8.230 nan 0.000 0.433 214 A N -0.684 122.176 122.820 0.067 0.000 1.903 214 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 214 A C 2.142 179.610 177.584 -0.194 0.000 1.191 214 A CA 2.087 53.896 52.037 -0.379 0.000 0.638 214 A CB -0.612 18.080 19.000 -0.515 0.000 0.823 214 A HN 0.574 nan 8.150 nan 0.000 0.451 215 E N -0.195 119.958 120.200 -0.078 0.000 2.299 215 E HA 0.187 4.536 4.350 -0.001 0.000 0.193 215 E C 1.044 177.621 176.600 -0.038 0.000 0.998 215 E CA 0.642 57.008 56.400 -0.056 0.000 0.851 215 E CB -0.547 29.138 29.700 -0.025 0.000 0.795 215 E HN 0.568 nan 8.360 nan 0.000 0.492 216 A N 1.491 124.307 122.820 -0.008 0.000 2.462 216 A HA 0.067 4.387 4.320 -0.001 0.000 0.243 216 A C 1.080 178.638 177.584 -0.044 0.000 1.076 216 A CA 0.010 52.045 52.037 -0.004 0.000 0.773 216 A CB 0.500 19.525 19.000 0.042 0.000 1.010 216 A HN -0.022 nan 8.150 nan 0.000 0.493 217 K N 0.277 120.619 120.400 -0.097 0.000 2.099 217 K HA 0.026 4.345 4.320 -0.001 0.000 0.203 217 K C -0.241 176.180 176.600 -0.299 0.000 1.047 217 K CA 0.855 56.996 56.287 -0.243 0.000 0.963 217 K CB 0.068 32.358 32.500 -0.351 0.000 0.759 217 K HN 0.777 nan 8.250 nan 0.000 0.451 218 H N 0.663 119.750 119.070 0.028 0.000 2.541 218 H HA 0.268 4.823 4.556 -0.001 0.000 0.246 218 H C -2.598 172.737 175.328 0.010 0.000 1.341 218 H CA -2.652 53.416 56.048 0.033 0.000 1.469 218 H CB 0.770 30.528 29.762 -0.008 0.000 1.472 218 H HN 0.126 nan 8.280 nan 0.000 0.503 219 P HA 0.190 nan 4.420 nan 0.000 0.281 219 P C -0.084 177.264 177.300 0.080 0.000 1.249 219 P CA -0.548 62.609 63.100 0.095 0.000 0.810 219 P CB 2.276 34.042 31.700 0.109 0.000 1.008 220 V N -0.314 119.629 119.914 0.047 0.000 2.962 220 V HA 0.556 4.675 4.120 -0.001 0.000 0.313 220 V C -0.560 175.537 176.094 0.005 0.000 1.099 220 V CA -1.168 61.149 62.300 0.028 0.000 0.971 220 V CB 1.843 33.713 31.823 0.078 0.000 1.028 220 V HN 0.269 nan 8.190 nan 0.000 0.430 221 L N 3.414 124.634 121.223 -0.004 0.000 2.257 221 L HA 0.562 4.902 4.340 -0.001 0.000 0.290 221 L C -0.522 176.352 176.870 0.007 0.000 1.044 221 L CA -0.682 54.154 54.840 -0.007 0.000 0.810 221 L CB 1.643 43.705 42.059 0.004 0.000 1.193 221 L HN 0.537 nan 8.230 nan 0.000 0.425 222 V N 5.124 125.035 119.914 -0.004 0.000 2.318 222 V HA 0.244 4.363 4.120 -0.001 0.000 0.271 222 V C 0.209 176.333 176.094 0.051 0.000 1.030 222 V CA -0.492 61.838 62.300 0.049 0.000 0.844 222 V CB 1.666 33.511 31.823 0.036 0.000 1.015 222 V HN 0.415 nan 8.190 nan 0.000 0.460 223 V N 4.733 124.681 119.914 0.057 0.000 2.394 223 V HA 0.746 4.865 4.120 -0.001 0.000 0.282 223 V C 0.845 176.970 176.094 0.052 0.000 1.031 223 V CA -0.119 62.206 62.300 0.040 0.000 0.881 223 V CB 1.475 33.307 31.823 0.015 0.000 0.982 223 V HN 0.869 nan 8.190 nan 0.000 0.451 224 G N 2.302 111.129 108.800 0.044 0.000 2.552 224 G HA2 0.562 4.521 3.960 -0.001 0.000 0.324 224 G HA3 0.562 4.521 3.960 -0.001 0.000 0.324 224 G C 0.895 175.812 174.900 0.029 0.000 1.217 224 G CA -0.019 45.099 45.100 0.031 0.000 0.989 224 G HN 0.892 nan 8.290 nan 0.000 0.490 225 A N -0.205 122.647 122.820 0.054 0.000 1.978 225 A HA 0.130 4.449 4.320 -0.001 0.000 0.220 225 A C 2.670 180.312 177.584 0.097 0.000 1.170 225 A CA 2.502 54.609 52.037 0.117 0.000 0.636 225 A CB -0.773 18.359 19.000 0.221 0.000 0.810 225 A HN 1.385 nan 8.150 nan 0.000 0.448 226 A N -0.095 122.756 122.820 0.052 0.000 1.978 226 A HA 0.090 4.409 4.320 -0.001 0.000 0.220 226 A C 2.448 180.046 177.584 0.023 0.000 1.170 226 A CA 2.083 54.141 52.037 0.035 0.000 0.636 226 A CB -0.901 18.105 19.000 0.009 0.000 0.810 226 A HN 1.098 nan 8.150 nan 0.000 0.448 227 A N -0.055 122.771 122.820 0.011 0.000 1.933 227 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 227 A C 2.077 179.655 177.584 -0.010 0.000 1.175 227 A CA 1.487 53.525 52.037 0.000 0.000 0.628 227 A CB -0.566 18.433 19.000 -0.003 0.000 0.814 227 A HN 0.534 nan 8.150 nan 0.000 0.444 228 I N -1.041 119.511 120.570 -0.030 0.000 2.252 228 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 228 I C 2.700 178.828 176.117 0.019 0.000 1.102 228 I CA 1.162 62.415 61.300 -0.079 0.000 1.385 228 I CB -0.399 37.418 38.000 -0.305 0.000 1.064 228 I HN 0.252 nan 8.210 nan 0.000 0.414 229 R N 0.179 120.732 120.500 0.087 0.000 2.105 229 R HA -0.151 4.189 4.340 -0.001 0.000 0.239 229 R C 2.445 178.777 176.300 0.053 0.000 1.135 229 R CA 1.546 57.706 56.100 0.099 0.000 0.967 229 R CB -0.471 29.886 30.300 0.095 0.000 0.861 229 R HN 0.232 nan 8.270 nan 0.000 0.442 230 S N -0.490 115.228 115.700 0.030 0.000 2.507 230 S HA -0.029 4.440 4.470 -0.001 0.000 0.235 230 S C 1.100 175.711 174.600 0.018 0.000 0.988 230 S CA 0.928 59.138 58.200 0.016 0.000 0.944 230 S CB -0.125 63.077 63.200 0.004 0.000 0.762 230 S HN 0.661 nan 8.310 nan 0.000 0.526 231 G N 0.123 108.934 108.800 0.019 0.000 2.182 231 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.248 231 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.248 231 G C 0.422 175.328 174.900 0.010 0.000 1.042 231 G CA 0.237 45.346 45.100 0.015 0.000 0.775 231 G HN 0.900 nan 8.290 nan 0.000 0.501 232 A N -0.965 121.858 122.820 0.006 0.000 2.348 232 A HA 0.631 4.951 4.320 -0.001 0.000 0.224 232 A C 2.178 179.763 177.584 0.002 0.000 1.227 232 A CA 1.339 53.384 52.037 0.014 0.000 0.885 232 A CB 0.190 19.207 19.000 0.029 0.000 0.933 232 A HN 0.926 nan 8.150 nan 0.000 0.506 233 V N 1.108 121.010 119.914 -0.020 0.000 2.233 233 V HA -0.177 3.943 4.120 -0.001 0.000 0.247 233 V C -0.052 176.031 176.094 -0.019 0.000 1.050 233 V CA 2.701 64.980 62.300 -0.034 0.000 1.010 233 V CB -1.462 30.322 31.823 -0.065 0.000 0.637 233 V HN 0.374 nan 8.190 nan 0.000 0.444 234 P HA -0.151 nan 4.420 nan 0.000 0.215 234 P C 1.660 178.965 177.300 0.008 0.000 1.153 234 P CA 2.011 65.111 63.100 0.001 0.000 0.853 234 P CB -0.166 31.538 31.700 0.006 0.000 0.788 235 A N -0.950 121.878 122.820 0.013 0.000 1.930 235 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 235 A C 2.201 179.801 177.584 0.027 0.000 1.175 235 A CA 1.312 53.362 52.037 0.021 0.000 0.627 235 A CB -1.532 17.485 19.000 0.028 0.000 0.815 235 A HN 0.113 nan 8.150 nan 0.000 0.443 236 I N -1.070 119.515 120.570 0.025 0.000 2.252 236 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 236 I C 2.687 178.810 176.117 0.010 0.000 1.102 236 I CA 1.558 62.876 61.300 0.029 0.000 1.385 236 I CB -0.267 37.744 38.000 0.019 0.000 1.064 236 I HN 0.376 nan 8.210 nan 0.000 0.414 237 R N 1.306 121.799 120.500 -0.012 0.000 2.083 237 R HA -0.204 4.136 4.340 -0.001 0.000 0.237 237 R C 2.368 178.674 176.300 0.010 0.000 1.137 237 R CA 1.778 57.860 56.100 -0.030 0.000 0.951 237 R CB -0.317 29.960 30.300 -0.038 0.000 0.851 237 R HN 0.344 nan 8.270 nan 0.000 0.434 238 A N 1.069 123.902 122.820 0.021 0.000 1.940 238 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 238 A C 2.067 179.670 177.584 0.031 0.000 1.176 238 A CA 1.426 53.481 52.037 0.030 0.000 0.631 238 A CB -0.611 18.402 19.000 0.021 0.000 0.814 238 A HN 0.429 nan 8.150 nan 0.000 0.446 239 L N -0.402 120.842 121.223 0.035 0.000 2.027 239 L HA -0.014 4.325 4.340 -0.001 0.000 0.206 239 L C 2.680 179.585 176.870 0.058 0.000 1.074 239 L CA 2.223 57.091 54.840 0.048 0.000 0.745 239 L CB -0.697 41.413 42.059 0.085 0.000 0.898 239 L HN 0.316 nan 8.230 nan 0.000 0.433 240 A N -0.751 122.100 122.820 0.051 0.000 1.902 240 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 240 A C 2.169 179.790 177.584 0.062 0.000 1.181 240 A CA 1.889 53.952 52.037 0.044 0.000 0.623 240 A CB -0.685 18.315 19.000 0.001 0.000 0.818 240 A HN 0.621 nan 8.150 nan 0.000 0.443 241 E N -0.903 119.342 120.200 0.075 0.000 2.077 241 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 241 E C 2.321 178.964 176.600 0.072 0.000 0.989 241 E CA 1.212 57.675 56.400 0.105 0.000 0.800 241 E CB -0.174 29.603 29.700 0.127 0.000 0.746 241 E HN 0.618 nan 8.360 nan 0.000 0.452 242 R N 0.777 121.310 120.500 0.053 0.000 2.081 242 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 242 R C 1.895 178.225 176.300 0.049 0.000 1.131 242 R CA 1.160 57.284 56.100 0.040 0.000 0.960 242 R CB -0.040 30.272 30.300 0.019 0.000 0.856 242 R HN 0.159 nan 8.270 nan 0.000 0.436 243 L N 0.482 121.741 121.223 0.060 0.000 2.607 243 L HA 0.120 4.459 4.340 -0.001 0.000 0.228 243 L C 0.197 177.116 176.870 0.082 0.000 1.123 243 L CA -0.116 54.772 54.840 0.079 0.000 0.890 243 L CB -0.062 42.056 42.059 0.098 0.000 1.103 243 L HN 0.338 nan 8.230 nan 0.000 0.468 244 N N 1.192 119.935 118.700 0.072 0.000 2.740 244 N HA -0.216 4.523 4.740 -0.001 0.000 0.248 244 N C -0.536 175.004 175.510 0.051 0.000 1.062 244 N CA 0.441 53.532 53.050 0.068 0.000 0.704 244 N CB -1.195 37.335 38.487 0.072 0.000 0.968 244 N HN 0.322 nan 8.380 nan 0.000 0.547 245 I N 0.383 120.976 120.570 0.039 0.000 2.315 245 I HA 0.349 4.518 4.170 -0.001 0.000 0.291 245 I C -1.860 174.203 176.117 -0.091 0.000 1.006 245 I CA -2.072 59.232 61.300 0.007 0.000 1.265 245 I CB 1.321 39.354 38.000 0.055 0.000 1.387 245 I HN -0.009 nan 8.210 nan 0.000 0.475 246 P HA 0.072 nan 4.420 nan 0.000 0.269 246 P C -0.766 176.372 177.300 -0.269 0.000 1.209 246 P CA -0.120 62.660 63.100 -0.533 0.000 0.776 246 P CB 0.702 31.671 31.700 -1.218 0.000 0.876 247 V N 4.942 124.739 119.914 -0.195 0.000 2.409 247 V HA 0.384 4.504 4.120 -0.001 0.000 0.291 247 V C 0.269 176.362 176.094 -0.001 0.000 1.020 247 V CA -0.304 61.954 62.300 -0.070 0.000 0.848 247 V CB 0.996 32.779 31.823 -0.066 0.000 0.990 247 V HN 0.392 nan 8.190 nan 0.000 0.430 248 I N 4.432 125.025 120.570 0.037 0.000 2.530 248 I HA 0.648 4.817 4.170 -0.001 0.000 0.297 248 I C 0.318 176.498 176.117 0.105 0.000 1.011 248 I CA -0.248 61.108 61.300 0.094 0.000 1.107 248 I CB 2.536 40.614 38.000 0.131 0.000 1.285 248 I HN 0.730 nan 8.210 nan 0.000 0.436 249 T N 0.155 114.779 114.554 0.116 0.000 2.930 249 T HA 0.569 4.919 4.350 -0.001 0.000 0.290 249 T C 0.093 174.886 174.700 0.155 0.000 1.052 249 T CA -0.725 61.445 62.100 0.115 0.000 1.017 249 T CB 1.672 70.595 68.868 0.091 0.000 1.137 249 T HN 0.663 nan 8.240 nan 0.000 0.511 250 T N 0.070 114.703 114.554 0.132 0.000 2.698 250 T HA 0.191 4.541 4.350 -0.001 0.000 0.295 250 T C 0.956 175.798 174.700 0.238 0.000 1.007 250 T CA -0.404 61.762 62.100 0.110 0.000 0.980 250 T CB -0.128 68.739 68.868 -0.002 0.000 1.036 250 T HN 0.535 nan 8.240 nan 0.000 0.526 251 Y N 0.547 120.931 120.300 0.140 0.000 2.114 251 Y HA -0.042 4.508 4.550 -0.001 0.000 0.282 251 Y C 2.409 178.476 175.900 0.279 0.000 1.165 251 Y CA 0.993 59.217 58.100 0.206 0.000 1.148 251 Y CB -1.221 37.357 38.460 0.195 0.000 0.972 251 Y HN 0.704 nan 8.280 nan 0.000 0.504 252 I N -2.643 118.145 120.570 0.364 0.000 3.883 252 I HA 0.434 4.603 4.170 -0.001 0.000 0.326 252 I C 1.602 177.890 176.117 0.285 0.000 1.283 252 I CA 0.733 62.240 61.300 0.345 0.000 1.161 252 I CB -0.141 38.034 38.000 0.291 0.000 1.012 252 I HN -0.010 nan 8.210 nan 0.000 0.421 253 A N 1.020 123.950 122.820 0.184 0.000 2.307 253 A HA 0.239 4.558 4.320 -0.001 0.000 0.218 253 A C 0.833 178.455 177.584 0.064 0.000 1.228 253 A CA -0.297 51.780 52.037 0.067 0.000 0.857 253 A CB -0.373 18.653 19.000 0.043 0.000 0.897 253 A HN 0.375 nan 8.150 nan 0.000 0.495 254 K N -0.375 120.111 120.400 0.143 0.000 2.489 254 K HA 0.313 4.632 4.320 -0.001 0.000 0.278 254 K C 1.150 177.795 176.600 0.076 0.000 1.000 254 K CA 0.983 57.340 56.287 0.115 0.000 1.012 254 K CB 0.136 32.731 32.500 0.158 0.000 0.903 254 K HN 0.600 nan 8.250 nan 0.000 0.485 255 G N 0.785 109.607 108.800 0.037 0.000 2.176 255 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.232 255 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.232 255 G C 0.711 175.593 174.900 -0.030 0.000 0.986 255 G CA 0.167 45.277 45.100 0.016 0.000 0.643 255 G HN 0.520 nan 8.290 nan 0.000 0.522 256 V N -1.704 118.181 119.914 -0.049 0.000 2.720 256 V HA 0.364 4.483 4.120 -0.001 0.000 0.256 256 V C 1.254 177.301 176.094 -0.078 0.000 1.082 256 V CA 1.619 63.875 62.300 -0.074 0.000 1.101 256 V CB -0.396 31.383 31.823 -0.072 0.000 0.693 256 V HN 0.468 nan 8.190 nan 0.000 0.479 257 L N 0.217 121.393 121.223 -0.079 0.000 2.354 257 L HA 0.596 4.936 4.340 -0.001 0.000 0.269 257 L C -2.553 174.308 176.870 -0.015 0.000 1.005 257 L CA -2.243 52.527 54.840 -0.116 0.000 0.819 257 L CB 2.094 43.987 42.059 -0.276 0.000 1.311 257 L HN -0.061 nan 8.230 nan 0.000 0.423 258 P HA 0.028 nan 4.420 nan 0.000 0.271 258 P C -0.590 176.762 177.300 0.088 0.000 1.233 258 P CA -0.388 62.756 63.100 0.072 0.000 0.789 258 P CB 0.417 32.176 31.700 0.099 0.000 0.951 259 V N 1.497 121.451 119.914 0.066 0.000 2.599 259 V HA 0.263 4.382 4.120 -0.001 0.000 0.300 259 V C 1.703 177.839 176.094 0.071 0.000 1.034 259 V CA 1.846 64.183 62.300 0.062 0.000 1.115 259 V CB -0.535 31.316 31.823 0.047 0.000 0.934 259 V HN 1.049 nan 8.190 nan 0.000 0.485 260 G N 2.653 111.497 108.800 0.073 0.000 2.213 260 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.236 260 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.236 260 G C 0.360 175.308 174.900 0.079 0.000 0.991 260 G CA 0.212 45.347 45.100 0.059 0.000 0.629 260 G HN 0.918 nan 8.290 nan 0.000 0.517 261 H N 2.405 121.492 119.070 0.028 0.000 2.964 261 H HA 0.182 4.738 4.556 -0.001 0.000 0.328 261 H C 1.925 177.285 175.328 0.053 0.000 1.030 261 H CA 1.136 57.206 56.048 0.036 0.000 1.445 261 H CB 0.729 30.513 29.762 0.037 0.000 1.449 261 H HN 0.685 nan 8.280 nan 0.000 0.581 262 E N 4.243 124.490 120.200 0.078 0.000 2.204 262 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 262 E C 1.241 178.042 176.600 0.334 0.000 0.990 262 E CA 0.838 57.328 56.400 0.149 0.000 0.821 262 E CB 0.026 29.751 29.700 0.042 0.000 0.750 262 E HN 0.590 nan 8.360 nan 0.000 0.477 263 L N 1.038 122.562 121.223 0.503 0.000 2.591 263 L HA 0.092 4.431 4.340 -0.001 0.000 0.228 263 L C 1.002 178.000 176.870 0.213 0.000 1.133 263 L CA -0.317 54.691 54.840 0.279 0.000 0.880 263 L CB -0.276 41.873 42.059 0.151 0.000 1.033 263 L HN 0.068 nan 8.230 nan 0.000 0.450 264 N N 0.144 119.002 118.700 0.264 0.000 2.466 264 N HA -0.079 4.661 4.740 -0.001 0.000 0.263 264 N C 0.221 175.887 175.510 0.259 0.000 1.178 264 N CA 0.135 53.288 53.050 0.172 0.000 0.983 264 N CB 0.247 38.808 38.487 0.123 0.000 1.331 264 N HN 0.052 nan 8.380 nan 0.000 0.500 265 Y N 1.920 122.202 120.300 -0.030 0.000 2.466 265 Y HA 0.267 4.816 4.550 -0.001 0.000 0.272 265 Y C 1.700 177.558 175.900 -0.069 0.000 1.169 265 Y CA 0.291 58.352 58.100 -0.064 0.000 1.285 265 Y CB -0.266 38.141 38.460 -0.089 0.000 1.078 265 Y HN 0.648 nan 8.280 nan 0.000 0.523 266 G N 0.070 108.919 108.800 0.082 0.000 2.685 266 G HA2 0.141 4.100 3.960 -0.001 0.000 0.387 266 G HA3 0.141 4.100 3.960 -0.001 0.000 0.387 266 G C -0.684 174.237 174.900 0.036 0.000 1.324 266 G CA -0.686 44.422 45.100 0.014 0.000 0.878 266 G HN 0.525 nan 8.290 nan 0.000 0.527 267 A N -1.241 121.586 122.820 0.012 0.000 2.294 267 A HA 0.863 5.182 4.320 -0.001 0.000 0.330 267 A C 0.114 177.755 177.584 0.095 0.000 1.133 267 A CA -0.004 52.079 52.037 0.077 0.000 0.836 267 A CB 1.753 20.802 19.000 0.082 0.000 1.190 267 A HN 1.885 nan 8.150 nan 0.000 0.492 268 V N 0.935 120.969 119.914 0.201 0.000 2.472 268 V HA 0.680 4.799 4.120 -0.001 0.000 0.290 268 V C 0.400 176.694 176.094 0.334 0.000 1.037 268 V CA -0.110 62.337 62.300 0.245 0.000 0.908 268 V CB 1.442 33.466 31.823 0.336 0.000 0.985 268 V HN 1.017 nan 8.190 nan 0.000 0.454 269 T N 2.426 117.146 114.554 0.276 0.000 2.912 269 T HA 0.507 4.857 4.350 -0.001 0.000 0.299 269 T C 1.156 176.000 174.700 0.241 0.000 1.052 269 T CA 0.244 62.575 62.100 0.384 0.000 0.996 269 T CB 1.695 70.781 68.868 0.363 0.000 1.070 269 T HN 0.830 nan 8.240 nan 0.000 0.465 270 G N 1.637 110.563 108.800 0.210 0.000 2.501 270 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.220 270 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.220 270 G C 0.675 175.534 174.900 -0.068 0.000 1.114 270 G CA 0.757 45.866 45.100 0.015 0.000 0.757 270 G HN 0.810 nan 8.290 nan 0.000 0.559 271 Y N 0.591 120.882 120.300 -0.014 0.000 2.490 271 Y HA 0.147 4.696 4.550 -0.001 0.000 0.281 271 Y C 2.835 178.733 175.900 -0.003 0.000 1.174 271 Y CA 0.538 58.680 58.100 0.070 0.000 1.295 271 Y CB -0.180 38.252 38.460 -0.047 0.000 1.062 271 Y HN 0.268 nan 8.280 nan 0.000 0.522 272 M N -1.237 118.397 119.600 0.056 0.000 2.159 272 M HA -0.149 4.330 4.480 -0.001 0.000 0.263 272 M C 0.896 177.126 176.300 -0.118 0.000 1.063 272 M CA 2.006 57.259 55.300 -0.078 0.000 1.110 272 M CB -0.412 32.139 32.600 -0.081 0.000 1.374 272 M HN -0.033 nan 8.290 nan 0.000 0.411 273 D N 1.383 121.723 120.400 -0.099 0.000 2.097 273 D HA -0.052 4.587 4.640 -0.001 0.000 0.195 273 D C 2.324 178.482 176.300 -0.236 0.000 0.989 273 D CA 1.930 55.857 54.000 -0.122 0.000 0.827 273 D CB -0.729 39.999 40.800 -0.121 0.000 0.966 273 D HN 0.600 nan 8.370 nan 0.000 0.456 274 G N 0.538 109.048 108.800 -0.484 0.000 2.418 274 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 274 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 274 G C 1.768 176.455 174.900 -0.355 0.000 1.158 274 G CA 0.343 44.852 45.100 -0.986 0.000 0.771 274 G HN 0.260 nan 8.290 nan 0.000 0.545 275 I N 0.133 120.645 120.570 -0.096 0.000 2.252 275 I HA -0.062 4.108 4.170 -0.001 0.000 0.245 275 I C 2.441 178.457 176.117 -0.168 0.000 1.102 275 I CA 0.783 62.065 61.300 -0.030 0.000 1.385 275 I CB -0.059 37.737 38.000 -0.341 0.000 1.064 275 I HN 0.106 nan 8.210 nan 0.000 0.414 276 L N -0.051 120.998 121.223 -0.290 0.000 2.509 276 L HA 0.047 4.386 4.340 -0.001 0.000 0.222 276 L C 0.550 177.444 176.870 0.041 0.000 1.123 276 L CA 0.051 54.640 54.840 -0.419 0.000 0.856 276 L CB -0.341 41.486 42.059 -0.387 0.000 0.985 276 L HN 0.358 nan 8.230 nan 0.000 0.456 277 N N 0.392 119.134 118.700 0.070 0.000 2.696 277 N HA -0.294 4.445 4.740 -0.001 0.000 0.256 277 N C -0.875 174.760 175.510 0.208 0.000 1.031 277 N CA 0.509 53.633 53.050 0.123 0.000 0.730 277 N CB -1.072 37.532 38.487 0.194 0.000 0.894 277 N HN 0.258 nan 8.380 nan 0.000 0.544 278 F N -0.097 119.821 119.950 -0.054 0.000 2.688 278 F HA 0.447 4.973 4.527 -0.001 0.000 0.308 278 F C -2.304 173.460 175.800 -0.061 0.000 1.117 278 F CA -1.586 56.389 58.000 -0.042 0.000 0.976 278 F CB 1.586 40.560 39.000 -0.044 0.000 1.291 278 F HN -0.036 nan 8.300 nan 0.000 0.439 279 P HA 0.205 nan 4.420 nan 0.000 0.230 279 P C -0.106 177.115 177.300 -0.131 0.000 1.791 279 P CA 0.404 63.310 63.100 -0.322 0.000 1.020 279 P CB 0.341 31.809 31.700 -0.387 0.000 1.977 280 A N 2.420 125.306 122.820 0.109 0.000 1.873 280 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 280 A C 2.073 179.718 177.584 0.101 0.000 1.186 280 A CA 1.078 53.236 52.037 0.202 0.000 0.616 280 A CB -1.078 17.997 19.000 0.125 0.000 0.823 280 A HN 0.339 nan 8.150 nan 0.000 0.442 281 L N -1.168 120.112 121.223 0.094 0.000 2.093 281 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 281 L C 2.840 179.829 176.870 0.199 0.000 1.085 281 L CA 1.595 56.544 54.840 0.182 0.000 0.755 281 L CB -0.412 41.758 42.059 0.186 0.000 0.904 281 L HN 0.445 nan 8.230 nan 0.000 0.435 282 Q N -0.159 119.702 119.800 0.101 0.000 2.050 282 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 282 Q C 2.118 178.166 176.000 0.079 0.000 0.980 282 Q CA 2.466 58.316 55.803 0.079 0.000 0.840 282 Q CB -0.297 28.440 28.738 -0.002 0.000 0.898 282 Q HN 0.355 nan 8.270 nan 0.000 0.424 283 T N 0.468 115.053 114.554 0.052 0.000 2.684 283 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 283 T C 1.665 176.416 174.700 0.083 0.000 1.036 283 T CA 1.651 63.797 62.100 0.076 0.000 1.148 283 T CB -0.324 68.630 68.868 0.143 0.000 0.863 283 T HN 0.393 nan 8.240 nan 0.000 0.436 284 M N -0.446 119.162 119.600 0.014 0.000 2.117 284 M HA -0.039 4.441 4.480 -0.001 0.000 0.262 284 M C 1.043 177.237 176.300 -0.176 0.000 1.065 284 M CA 1.888 57.101 55.300 -0.146 0.000 1.114 284 M CB -0.004 32.350 32.600 -0.411 0.000 1.361 284 M HN 0.241 nan 8.290 nan 0.000 0.408 285 F N -1.165 118.879 119.950 0.157 0.000 2.727 285 F HA 0.392 4.918 4.527 -0.001 0.000 0.302 285 F C 2.195 178.010 175.800 0.025 0.000 1.107 285 F CA 0.287 58.341 58.000 0.090 0.000 1.277 285 F CB -0.822 38.259 39.000 0.135 0.000 1.079 285 F HN 0.113 nan 8.300 nan 0.000 0.594 286 A N 1.621 124.555 122.820 0.190 0.000 1.892 286 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 286 A C -0.382 177.248 177.584 0.077 0.000 1.188 286 A CA 2.102 54.211 52.037 0.119 0.000 0.631 286 A CB -2.028 17.022 19.000 0.084 0.000 0.822 286 A HN 0.207 nan 8.150 nan 0.000 0.447 287 P HA 0.163 nan 4.420 nan 0.000 0.249 287 P C -0.080 177.230 177.300 0.016 0.000 1.229 287 P CA 0.187 63.311 63.100 0.041 0.000 0.788 287 P CB -0.122 31.608 31.700 0.050 0.000 1.072 288 V N 3.269 123.133 119.914 -0.085 0.000 2.572 288 V HA 0.004 4.123 4.120 -0.001 0.000 0.291 288 V C 1.468 177.588 176.094 0.044 0.000 1.039 288 V CA 0.778 63.047 62.300 -0.053 0.000 1.055 288 V CB 0.575 32.392 31.823 -0.011 0.000 0.969 288 V HN 0.176 nan 8.190 nan 0.000 0.482 289 D N 3.029 123.459 120.400 0.049 0.000 2.449 289 D HA 0.161 4.800 4.640 -0.001 0.000 0.210 289 D C -0.042 176.273 176.300 0.026 0.000 1.094 289 D CA -0.069 53.955 54.000 0.039 0.000 0.846 289 D CB 0.653 41.469 40.800 0.027 0.000 1.003 289 D HN 0.334 nan 8.370 nan 0.000 0.504 290 L N 1.012 122.245 121.223 0.018 0.000 2.476 290 L HA 0.468 4.807 4.340 -0.001 0.000 0.269 290 L C -1.747 175.091 176.870 -0.054 0.000 0.965 290 L CA -0.877 53.961 54.840 -0.004 0.000 0.845 290 L CB 2.344 44.424 42.059 0.035 0.000 1.259 290 L HN -0.186 nan 8.230 nan 0.000 0.403 291 V N 6.322 126.139 119.914 -0.163 0.000 2.357 291 V HA 0.459 4.578 4.120 -0.001 0.000 0.284 291 V C -0.414 175.503 176.094 -0.294 0.000 1.018 291 V CA -0.419 61.689 62.300 -0.320 0.000 0.841 291 V CB 1.434 32.784 31.823 -0.789 0.000 0.991 291 V HN 0.551 nan 8.190 nan 0.000 0.437 292 L N 5.033 126.136 121.223 -0.199 0.000 2.264 292 L HA 0.416 4.756 4.340 -0.001 0.000 0.287 292 L C 0.802 177.555 176.870 -0.194 0.000 1.039 292 L CA -0.097 54.636 54.840 -0.177 0.000 0.829 292 L CB 1.476 43.473 42.059 -0.104 0.000 1.211 292 L HN 0.768 nan 8.230 nan 0.000 0.427 293 T N 0.282 114.702 114.554 -0.224 0.000 2.863 293 T HA 0.387 4.737 4.350 -0.001 0.000 0.299 293 T C 0.062 174.734 174.700 -0.047 0.000 0.973 293 T CA -0.666 61.363 62.100 -0.119 0.000 0.994 293 T CB 0.128 68.907 68.868 -0.148 0.000 0.961 293 T HN 0.141 nan 8.240 nan 0.000 0.552 294 V N 3.920 123.807 119.914 -0.045 0.000 2.372 294 V HA 0.571 4.690 4.120 -0.001 0.000 0.261 294 V C 1.402 177.488 176.094 -0.013 0.000 1.055 294 V CA 0.208 62.462 62.300 -0.077 0.000 0.930 294 V CB -0.089 31.710 31.823 -0.040 0.000 1.031 294 V HN 1.289 nan 8.190 nan 0.000 0.479 295 G N 4.086 112.870 108.800 -0.027 0.000 2.248 295 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.263 295 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.263 295 G C -0.219 174.720 174.900 0.064 0.000 1.082 295 G CA -0.140 44.964 45.100 0.006 0.000 0.863 295 G HN 0.863 nan 8.290 nan 0.000 0.495 296 Y N 1.072 121.373 120.300 0.001 0.000 2.526 296 Y HA 0.457 5.007 4.550 -0.001 0.000 0.330 296 Y C 0.188 176.140 175.900 0.087 0.000 1.156 296 Y CA 0.267 58.409 58.100 0.070 0.000 1.419 296 Y CB 1.048 39.605 38.460 0.163 0.000 1.250 296 Y HN 0.237 nan 8.280 nan 0.000 0.540 297 D N 4.982 124.984 120.400 -0.665 0.000 2.736 297 D HA 0.026 4.665 4.640 -0.001 0.000 0.243 297 D C -0.040 175.886 176.300 -0.624 0.000 1.304 297 D CA -0.507 53.224 54.000 -0.449 0.000 0.934 297 D CB 0.432 41.115 40.800 -0.196 0.000 1.382 297 D HN 0.582 nan 8.370 nan 0.000 0.571 298 Y N 3.754 123.725 120.300 -0.549 0.000 2.256 298 Y HA -0.152 4.398 4.550 -0.001 0.000 0.288 298 Y C 1.948 177.727 175.900 -0.201 0.000 1.155 298 Y CA 2.143 60.072 58.100 -0.285 0.000 1.203 298 Y CB -0.225 38.228 38.460 -0.012 0.000 0.980 298 Y HN 0.541 nan 8.280 nan 0.000 0.530 299 A N 0.011 122.741 122.820 -0.150 0.000 1.978 299 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 299 A C 2.061 179.503 177.584 -0.237 0.000 1.170 299 A CA 1.808 53.731 52.037 -0.190 0.000 0.636 299 A CB -0.658 18.280 19.000 -0.103 0.000 0.810 299 A HN 0.620 nan 8.150 nan 0.000 0.448 300 E N -1.556 118.490 120.200 -0.256 0.000 2.409 300 E HA -0.112 4.237 4.350 -0.001 0.000 0.198 300 E C 0.219 176.575 176.600 -0.406 0.000 1.024 300 E CA 0.533 56.756 56.400 -0.295 0.000 0.861 300 E CB -0.078 29.473 29.700 -0.249 0.000 0.788 300 E HN 0.560 nan 8.360 nan 0.000 0.521 301 D N -0.608 119.583 120.400 -0.348 0.000 3.090 301 D HA -0.183 4.456 4.640 -0.001 0.000 0.215 301 D C -0.759 175.428 176.300 -0.188 0.000 1.140 301 D CA 0.336 54.153 54.000 -0.307 0.000 0.937 301 D CB -1.178 39.478 40.800 -0.240 0.000 1.108 301 D HN 0.164 nan 8.370 nan 0.000 0.420 302 L N 1.281 122.434 121.223 -0.118 0.000 2.282 302 L HA 0.366 4.706 4.340 -0.001 0.000 0.287 302 L C 0.499 177.466 176.870 0.161 0.000 1.075 302 L CA -0.477 54.401 54.840 0.064 0.000 0.839 302 L CB 0.129 42.284 42.059 0.160 0.000 1.219 302 L HN -0.049 nan 8.230 nan 0.000 0.434 303 R N 4.740 125.254 120.500 0.023 0.000 2.500 303 R HA 0.319 4.658 4.340 -0.001 0.000 0.277 303 R C -1.760 174.203 176.300 -0.562 0.000 1.026 303 R CA -1.757 54.318 56.100 -0.042 0.000 1.058 303 R CB 0.473 30.764 30.300 -0.016 0.000 1.078 303 R HN 0.366 nan 8.270 nan 0.000 0.509 304 P HA -0.250 nan 4.420 nan 0.000 0.217 304 P C 1.226 177.698 177.300 -1.380 0.000 1.151 304 P CA 1.698 63.613 63.100 -1.975 0.000 0.849 304 P CB 0.119 31.158 31.700 -1.101 0.000 0.787 305 S N -1.920 113.368 115.700 -0.687 0.000 2.442 305 S HA -0.156 4.313 4.470 -0.001 0.000 0.236 305 S C 1.835 176.201 174.600 -0.391 0.000 1.007 305 S CA 1.188 59.124 58.200 -0.439 0.000 0.965 305 S CB -1.262 61.789 63.200 -0.249 0.000 0.773 305 S HN 0.100 nan 8.310 nan 0.000 0.504 306 M N 0.091 119.439 119.600 -0.421 0.000 2.288 306 M HA 0.120 4.599 4.480 -0.001 0.000 0.266 306 M C 1.913 178.032 176.300 -0.302 0.000 1.072 306 M CA 1.309 56.474 55.300 -0.225 0.000 1.132 306 M CB -0.355 32.200 32.600 -0.075 0.000 1.386 306 M HN 0.774 nan 8.290 nan 0.000 0.432 307 W N 0.046 120.987 121.300 -0.599 0.000 3.197 307 W HA 0.195 4.855 4.660 -0.001 0.000 0.274 307 W C 0.152 176.350 176.519 -0.536 0.000 1.297 307 W CA -0.234 56.395 57.345 -1.193 0.000 1.662 307 W CB -0.768 27.861 29.460 -1.385 0.000 1.106 307 W HN 0.024 nan 8.180 nan 0.000 0.663 308 Q N 2.508 122.099 119.800 -0.349 0.000 3.184 308 Q HA 0.115 4.454 4.340 -0.001 0.000 0.288 308 Q C -0.318 175.650 176.000 -0.053 0.000 1.412 308 Q CA 0.348 56.060 55.803 -0.151 0.000 0.991 308 Q CB -0.074 28.512 28.738 -0.253 0.000 1.688 308 Q HN -0.064 nan 8.270 nan 0.000 0.554 309 K N 0.108 120.532 120.400 0.039 0.000 2.316 309 K HA 0.609 4.928 4.320 -0.001 0.000 0.251 309 K C 0.545 177.200 176.600 0.091 0.000 0.934 309 K CA -0.077 56.255 56.287 0.076 0.000 0.802 309 K CB 1.905 34.495 32.500 0.151 0.000 1.171 309 K HN 0.426 nan 8.250 nan 0.000 0.426 310 G N 2.469 111.305 108.800 0.060 0.000 2.561 310 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.289 310 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.289 310 G C 0.267 175.197 174.900 0.049 0.000 1.169 310 G CA 0.235 45.368 45.100 0.055 0.000 0.980 310 G HN 0.786 nan 8.290 nan 0.000 0.550 311 I N -0.121 120.482 120.570 0.056 0.000 3.060 311 I HA 0.543 4.713 4.170 -0.001 0.000 0.285 311 I C 0.432 176.581 176.117 0.053 0.000 1.190 311 I CA -0.594 60.735 61.300 0.048 0.000 1.363 311 I CB 0.478 38.507 38.000 0.049 0.000 1.396 311 I HN 0.460 nan 8.210 nan 0.000 0.607 312 E N 3.343 123.569 120.200 0.043 0.000 2.392 312 E HA 0.199 4.549 4.350 -0.001 0.000 0.264 312 E C -0.812 175.822 176.600 0.057 0.000 1.024 312 E CA -0.016 56.413 56.400 0.048 0.000 0.903 312 E CB 0.896 30.617 29.700 0.035 0.000 0.963 312 E HN 0.462 nan 8.360 nan 0.000 0.432 313 K N 1.758 122.203 120.400 0.075 0.000 2.267 313 K HA 0.338 4.658 4.320 -0.001 0.000 0.246 313 K C -0.069 176.567 176.600 0.061 0.000 0.954 313 K CA -0.745 55.582 56.287 0.067 0.000 0.824 313 K CB 1.599 34.147 32.500 0.080 0.000 1.167 313 K HN 0.095 nan 8.250 nan 0.000 0.431 314 K N 1.085 121.506 120.400 0.035 0.000 2.098 314 K HA 0.393 4.713 4.320 -0.001 0.000 0.261 314 K C -0.359 176.241 176.600 0.000 0.000 0.987 314 K CA -0.492 55.813 56.287 0.030 0.000 0.916 314 K CB 1.596 34.113 32.500 0.027 0.000 1.039 314 K HN 0.854 nan 8.250 nan 0.000 0.455 315 T N -2.330 112.230 114.554 0.010 0.000 2.893 315 T HA 0.512 4.861 4.350 -0.001 0.000 0.293 315 T C -0.472 174.203 174.700 -0.041 0.000 1.027 315 T CA -0.856 61.226 62.100 -0.030 0.000 0.988 315 T CB 1.392 70.331 68.868 0.118 0.000 1.043 315 T HN 0.139 nan 8.240 nan 0.000 0.461 316 V N 2.681 122.541 119.914 -0.089 0.000 2.444 316 V HA 0.578 4.697 4.120 -0.001 0.000 0.294 316 V C 0.160 176.160 176.094 -0.157 0.000 1.022 316 V CA -0.968 61.263 62.300 -0.115 0.000 0.850 316 V CB 1.569 33.330 31.823 -0.104 0.000 0.992 316 V HN 0.965 nan 8.190 nan 0.000 0.426 317 R N 4.367 124.755 120.500 -0.187 0.000 2.265 317 R HA 0.703 5.042 4.340 -0.001 0.000 0.319 317 R C -1.468 174.686 176.300 -0.243 0.000 1.006 317 R CA -0.522 55.476 56.100 -0.170 0.000 0.880 317 R CB 0.938 31.080 30.300 -0.264 0.000 1.077 317 R HN 0.662 nan 8.270 nan 0.000 0.454 318 I N 2.640 123.046 120.570 -0.273 0.000 2.418 318 I HA 0.320 4.490 4.170 -0.001 0.000 0.287 318 I C -0.456 175.545 176.117 -0.193 0.000 1.008 318 I CA -0.100 60.963 61.300 -0.394 0.000 1.104 318 I CB 2.049 39.570 38.000 -0.799 0.000 1.264 318 I HN 0.513 nan 8.210 nan 0.000 0.438 319 S N 6.613 122.218 115.700 -0.158 0.000 2.535 319 S HA 0.553 5.023 4.470 -0.001 0.000 0.272 319 S C -2.676 171.862 174.600 -0.104 0.000 1.149 319 S CA -1.019 57.133 58.200 -0.080 0.000 0.888 319 S CB 2.071 65.272 63.200 0.001 0.000 1.110 319 S HN 0.379 nan 8.310 nan 0.000 0.463 320 P HA 0.207 nan 4.420 nan 0.000 0.249 320 P C -0.214 177.051 177.300 -0.058 0.000 1.593 320 P CA 0.084 63.129 63.100 -0.092 0.000 0.896 320 P CB -0.860 30.794 31.700 -0.076 0.000 1.581 321 T N -4.215 110.312 114.554 -0.044 0.000 2.894 321 T HA 0.366 4.715 4.350 -0.001 0.000 0.309 321 T C -0.388 174.299 174.700 -0.021 0.000 1.208 321 T CA -0.738 61.349 62.100 -0.022 0.000 1.016 321 T CB 1.212 70.078 68.868 -0.003 0.000 1.192 321 T HN -0.233 nan 8.240 nan 0.000 0.491 322 V N 2.834 122.740 119.914 -0.015 0.000 2.740 322 V HA 0.211 4.330 4.120 -0.001 0.000 0.303 322 V C 1.027 177.116 176.094 -0.009 0.000 1.054 322 V CA -0.537 61.753 62.300 -0.016 0.000 1.106 322 V CB 0.499 32.315 31.823 -0.012 0.000 0.957 322 V HN 0.999 nan 8.190 nan 0.000 0.486 323 N N 6.925 125.611 118.700 -0.023 0.000 2.417 323 N HA 0.043 4.783 4.740 -0.001 0.000 0.272 323 N C -1.092 174.415 175.510 -0.006 0.000 1.304 323 N CA -1.266 51.774 53.050 -0.016 0.000 0.906 323 N CB 0.965 39.407 38.487 -0.075 0.000 1.135 323 N HN 0.418 nan 8.380 nan 0.000 0.483 324 P HA 0.059 nan 4.420 nan 0.000 0.240 324 P C 0.283 177.580 177.300 -0.005 0.000 1.190 324 P CA 0.671 63.779 63.100 0.013 0.000 0.781 324 P CB 0.005 31.727 31.700 0.036 0.000 0.931 325 I N -3.537 117.018 120.570 -0.025 0.000 2.998 325 I HA 0.402 4.572 4.170 -0.001 0.000 0.338 325 I C -1.922 174.145 176.117 -0.082 0.000 1.413 325 I CA -2.416 58.833 61.300 -0.086 0.000 0.880 325 I CB 1.151 39.007 38.000 -0.240 0.000 2.051 325 I HN -0.320 nan 8.210 nan 0.000 0.561 326 P HA -0.160 nan 4.420 nan 0.000 0.226 326 P C 1.468 178.734 177.300 -0.056 0.000 1.153 326 P CA 0.993 64.055 63.100 -0.064 0.000 0.777 326 P CB 0.140 31.804 31.700 -0.059 0.000 0.794 327 R N 0.227 120.692 120.500 -0.059 0.000 2.120 327 R HA -0.064 4.276 4.340 -0.001 0.000 0.234 327 R C 1.635 177.895 176.300 -0.066 0.000 1.123 327 R CA 1.364 57.431 56.100 -0.055 0.000 0.975 327 R CB -0.182 30.089 30.300 -0.049 0.000 0.866 327 R HN 0.065 nan 8.270 nan 0.000 0.446 328 V N -1.279 118.574 119.914 -0.101 0.000 2.908 328 V HA 0.058 4.178 4.120 -0.001 0.000 0.240 328 V C -0.201 175.866 176.094 -0.044 0.000 1.117 328 V CA 0.305 62.526 62.300 -0.132 0.000 1.133 328 V CB 0.184 31.813 31.823 -0.323 0.000 0.857 328 V HN 0.173 nan 8.190 nan 0.000 0.478 329 Y N 2.382 122.570 120.300 -0.187 0.000 2.363 329 Y HA 0.572 5.121 4.550 -0.001 0.000 0.325 329 Y C -0.187 175.660 175.900 -0.089 0.000 0.984 329 Y CA -1.940 56.080 58.100 -0.134 0.000 1.248 329 Y CB 0.799 39.172 38.460 -0.144 0.000 1.116 329 Y HN 0.009 nan 8.280 nan 0.000 0.470 330 R N 7.534 128.043 120.500 0.015 0.000 2.575 330 R HA 0.319 4.658 4.340 -0.001 0.000 0.281 330 R C -2.717 173.483 176.300 -0.166 0.000 1.272 330 R CA -1.660 54.369 56.100 -0.118 0.000 1.417 330 R CB 0.579 30.856 30.300 -0.038 0.000 1.121 330 R HN 0.499 nan 8.270 nan 0.000 0.583 331 P HA 0.087 nan 4.420 nan 0.000 0.272 331 P C 0.129 177.345 177.300 -0.140 0.000 1.223 331 P CA -0.270 62.637 63.100 -0.321 0.000 0.784 331 P CB 1.336 32.687 31.700 -0.582 0.000 0.923 332 D N 0.096 120.463 120.400 -0.055 0.000 2.117 332 D HA -0.037 4.603 4.640 -0.001 0.000 0.197 332 D C 0.361 176.638 176.300 -0.038 0.000 0.987 332 D CA 1.464 55.447 54.000 -0.028 0.000 0.829 332 D CB 0.256 41.058 40.800 0.003 0.000 0.961 332 D HN 0.123 nan 8.370 nan 0.000 0.460 333 V N 1.282 121.164 119.914 -0.053 0.000 2.531 333 V HA 0.185 4.304 4.120 -0.001 0.000 0.301 333 V C -0.675 175.360 176.094 -0.097 0.000 1.034 333 V CA -0.872 61.403 62.300 -0.042 0.000 0.865 333 V CB 2.373 34.201 31.823 0.009 0.000 0.995 333 V HN -0.125 nan 8.190 nan 0.000 0.424 334 D N 3.487 123.834 120.400 -0.089 0.000 2.414 334 D HA 0.448 5.087 4.640 -0.001 0.000 0.232 334 D C -0.766 175.496 176.300 -0.062 0.000 1.070 334 D CA -0.121 53.808 54.000 -0.119 0.000 0.839 334 D CB 1.964 42.688 40.800 -0.128 0.000 1.079 334 D HN 0.280 nan 8.370 nan 0.000 0.521 335 V N 4.516 124.370 119.914 -0.099 0.000 2.294 335 V HA 0.232 4.351 4.120 -0.001 0.000 0.272 335 V C 0.314 176.347 176.094 -0.102 0.000 1.027 335 V CA -0.834 61.440 62.300 -0.044 0.000 0.823 335 V CB 1.372 33.134 31.823 -0.101 0.000 1.030 335 V HN 0.309 nan 8.190 nan 0.000 0.457 336 V N 4.964 124.852 119.914 -0.043 0.000 2.320 336 V HA 0.612 4.731 4.120 -0.001 0.000 0.265 336 V C 0.345 176.324 176.094 -0.192 0.000 1.048 336 V CA 0.447 62.691 62.300 -0.093 0.000 0.865 336 V CB 0.732 32.529 31.823 -0.043 0.000 1.043 336 V HN 0.999 nan 8.190 nan 0.000 0.474 337 T N 2.514 116.881 114.554 -0.312 0.000 2.677 337 T HA 0.227 4.577 4.350 -0.001 0.000 0.305 337 T C -1.576 172.892 174.700 -0.388 0.000 1.569 337 T CA -0.653 61.117 62.100 -0.550 0.000 0.984 337 T CB 1.702 69.803 68.868 -1.278 0.000 1.629 337 T HN 0.662 nan 8.240 nan 0.000 0.494 338 D N 0.818 120.983 120.400 -0.391 0.000 2.425 338 D HA 0.241 4.880 4.640 -0.001 0.000 0.247 338 D C 1.554 177.755 176.300 -0.165 0.000 1.147 338 D CA 0.185 54.055 54.000 -0.218 0.000 0.879 338 D CB 0.897 41.598 40.800 -0.164 0.000 1.179 338 D HN 0.260 nan 8.370 nan 0.000 0.456 339 V N 4.025 123.890 119.914 -0.081 0.000 2.287 339 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 339 V C 2.210 178.351 176.094 0.077 0.000 1.053 339 V CA 1.409 63.706 62.300 -0.005 0.000 1.027 339 V CB -0.702 31.117 31.823 -0.007 0.000 0.646 339 V HN 0.607 nan 8.190 nan 0.000 0.447 340 L N 0.850 122.094 121.223 0.034 0.000 2.017 340 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 340 L C 2.498 179.407 176.870 0.065 0.000 1.073 340 L CA 2.338 57.208 54.840 0.051 0.000 0.745 340 L CB -1.127 40.950 42.059 0.031 0.000 0.894 340 L HN 0.234 nan 8.230 nan 0.000 0.432 341 A N -0.684 122.149 122.820 0.021 0.000 1.892 341 A HA -0.326 3.994 4.320 -0.001 0.000 0.218 341 A C 2.308 179.991 177.584 0.165 0.000 1.188 341 A CA 2.173 54.239 52.037 0.047 0.000 0.631 341 A CB -1.346 17.569 19.000 -0.140 0.000 0.822 341 A HN 0.587 nan 8.150 nan 0.000 0.447 342 F N 0.971 120.867 119.950 -0.089 0.000 2.069 342 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 342 F C 2.190 178.131 175.800 0.235 0.000 1.113 342 F CA 2.258 60.322 58.000 0.108 0.000 1.214 342 F CB -0.564 38.398 39.000 -0.064 0.000 0.978 342 F HN 0.025 nan 8.300 nan 0.000 0.474 343 V N 0.779 120.676 119.914 -0.029 0.000 2.343 343 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 343 V C 2.292 178.363 176.094 -0.037 0.000 1.051 343 V CA 2.322 64.556 62.300 -0.110 0.000 1.036 343 V CB -0.848 31.011 31.823 0.061 0.000 0.654 343 V HN 0.402 nan 8.190 nan 0.000 0.451 344 E N -0.478 119.748 120.200 0.043 0.000 2.072 344 E HA -0.263 4.086 4.350 -0.001 0.000 0.191 344 E C 2.168 178.803 176.600 0.059 0.000 0.985 344 E CA 1.562 57.995 56.400 0.054 0.000 0.801 344 E CB -0.245 29.507 29.700 0.085 0.000 0.750 344 E HN 0.778 nan 8.360 nan 0.000 0.452 345 H N -0.360 118.745 119.070 0.058 0.000 2.353 345 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 345 H C 1.744 177.039 175.328 -0.055 0.000 1.090 345 H CA 1.461 57.536 56.048 0.044 0.000 1.327 345 H CB -0.089 29.790 29.762 0.195 0.000 1.383 345 H HN 0.095 nan 8.280 nan 0.000 0.508 346 F N 1.261 121.044 119.950 -0.279 0.000 2.234 346 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 346 F C 2.223 177.812 175.800 -0.352 0.000 1.087 346 F CA 1.133 58.880 58.000 -0.421 0.000 1.340 346 F CB -0.038 38.475 39.000 -0.811 0.000 1.031 346 F HN 0.195 nan 8.300 nan 0.000 0.500 347 E N -0.359 119.726 120.200 -0.191 0.000 2.085 347 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 347 E C 2.188 178.608 176.600 -0.300 0.000 0.994 347 E CA 1.981 58.247 56.400 -0.223 0.000 0.801 347 E CB -0.698 28.936 29.700 -0.111 0.000 0.743 347 E HN 0.352 nan 8.360 nan 0.000 0.453 348 T N 1.059 115.437 114.554 -0.294 0.000 2.777 348 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 348 T C 1.937 176.405 174.700 -0.386 0.000 1.040 348 T CA 1.358 63.275 62.100 -0.305 0.000 1.141 348 T CB -0.173 68.519 68.868 -0.293 0.000 0.868 348 T HN 0.257 nan 8.240 nan 0.000 0.444 349 A N 1.528 124.042 122.820 -0.509 0.000 2.015 349 A HA -0.042 4.278 4.320 -0.001 0.000 0.219 349 A C 2.291 179.454 177.584 -0.702 0.000 1.163 349 A CA 1.782 53.514 52.037 -0.509 0.000 0.646 349 A CB -0.640 18.087 19.000 -0.456 0.000 0.806 349 A HN 0.594 nan 8.150 nan 0.000 0.448 350 T N -4.698 109.291 114.554 -0.941 0.000 3.132 350 T HA 0.563 4.912 4.350 -0.001 0.000 0.274 350 T C 1.369 175.606 174.700 -0.772 0.000 1.011 350 T CA 0.706 61.900 62.100 -1.510 0.000 0.899 350 T CB 0.335 68.240 68.868 -1.605 0.000 1.089 350 T HN 0.415 nan 8.240 nan 0.000 0.543 351 A N 2.347 124.908 122.820 -0.431 0.000 1.978 351 A HA -0.025 4.295 4.320 -0.001 0.000 0.220 351 A C 2.453 179.982 177.584 -0.093 0.000 1.170 351 A CA 1.815 53.722 52.037 -0.216 0.000 0.636 351 A CB -0.784 18.117 19.000 -0.164 0.000 0.810 351 A HN 0.799 nan 8.150 nan 0.000 0.448 352 S N -1.852 113.837 115.700 -0.018 0.000 2.540 352 S HA 0.359 4.828 4.470 -0.001 0.000 0.218 352 S C -0.020 174.716 174.600 0.226 0.000 0.977 352 S CA -0.662 57.590 58.200 0.086 0.000 0.918 352 S CB -0.327 62.918 63.200 0.075 0.000 0.806 352 S HN 0.092 nan 8.310 nan 0.000 0.496 353 F N 3.175 123.078 119.950 -0.079 0.000 2.518 353 F HA 0.570 5.096 4.527 -0.001 0.000 0.359 353 F C 1.459 177.233 175.800 -0.043 0.000 1.118 353 F CA -1.027 56.934 58.000 -0.066 0.000 1.287 353 F CB -0.055 38.894 39.000 -0.085 0.000 1.132 353 F HN 0.211 nan 8.300 nan 0.000 0.587 354 G N 1.318 110.180 108.800 0.103 0.000 2.467 354 G HA2 0.475 4.435 3.960 -0.001 0.000 0.257 354 G HA3 0.475 4.435 3.960 -0.001 0.000 0.257 354 G C -0.467 174.478 174.900 0.075 0.000 1.227 354 G CA -0.427 44.708 45.100 0.059 0.000 0.835 354 G HN 0.923 nan 8.290 nan 0.000 0.556 355 A N 1.855 124.714 122.820 0.064 0.000 2.520 355 A HA 0.405 4.724 4.320 -0.001 0.000 0.235 355 A C 0.749 178.371 177.584 0.063 0.000 1.065 355 A CA 0.045 52.123 52.037 0.069 0.000 0.764 355 A CB 0.277 19.311 19.000 0.057 0.000 1.002 355 A HN 0.559 nan 8.150 nan 0.000 0.502 356 K N 1.068 121.515 120.400 0.079 0.000 2.102 356 K HA 0.230 4.550 4.320 -0.001 0.000 0.244 356 K C 0.036 176.692 176.600 0.095 0.000 1.021 356 K CA -0.329 56.005 56.287 0.079 0.000 0.913 356 K CB 0.545 33.106 32.500 0.101 0.000 1.062 356 K HN 0.800 nan 8.250 nan 0.000 0.485 357 Q N 2.354 122.222 119.800 0.114 0.000 2.398 357 Q HA 0.093 4.433 4.340 -0.001 0.000 0.251 357 Q C -0.448 175.738 176.000 0.309 0.000 0.999 357 Q CA -0.522 55.381 55.803 0.168 0.000 0.874 357 Q CB 0.655 29.482 28.738 0.148 0.000 1.215 357 Q HN 0.440 nan 8.270 nan 0.000 0.470 358 R N 3.037 123.674 120.500 0.228 0.000 2.641 358 R HA 0.189 4.529 4.340 -0.001 0.000 0.269 358 R C 0.094 176.467 176.300 0.123 0.000 1.074 358 R CA -0.604 55.628 56.100 0.220 0.000 1.133 358 R CB 0.393 30.750 30.300 0.096 0.000 1.029 358 R HN 0.579 nan 8.270 nan 0.000 0.488 359 H N 0.049 119.003 119.070 -0.193 0.000 2.546 359 H HA 0.147 4.702 4.556 -0.001 0.000 0.365 359 H C -1.016 174.295 175.328 -0.029 0.000 1.220 359 H CA -0.757 55.052 56.048 -0.397 0.000 1.386 359 H CB 0.748 30.140 29.762 -0.617 0.000 1.510 359 H HN 0.720 nan 8.280 nan 0.000 0.591 360 D N 1.122 121.446 120.400 -0.127 0.000 2.312 360 D HA 0.151 4.790 4.640 -0.001 0.000 0.252 360 D C 0.872 177.046 176.300 -0.210 0.000 1.150 360 D CA -0.443 53.470 54.000 -0.144 0.000 0.870 360 D CB 0.088 40.859 40.800 -0.048 0.000 1.153 360 D HN 0.634 nan 8.370 nan 0.000 0.457 361 I N 0.213 120.572 120.570 -0.352 0.000 3.947 361 I HA 0.339 4.508 4.170 -0.001 0.000 0.327 361 I C 0.802 176.775 176.117 -0.240 0.000 1.519 361 I CA -0.512 60.602 61.300 -0.309 0.000 1.122 361 I CB 0.604 38.310 38.000 -0.489 0.000 1.146 361 I HN 0.098 nan 8.210 nan 0.000 0.442 362 E N 2.318 122.409 120.200 -0.182 0.000 2.160 362 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 362 E C -0.496 176.055 176.600 -0.083 0.000 0.991 362 E CA 1.392 57.712 56.400 -0.133 0.000 0.810 362 E CB -1.465 28.181 29.700 -0.091 0.000 0.742 362 E HN 0.501 nan 8.360 nan 0.000 0.466 363 P HA -0.118 nan 4.420 nan 0.000 0.218 363 P C 1.684 178.915 177.300 -0.115 0.000 1.149 363 P CA 0.683 63.819 63.100 0.061 0.000 0.817 363 P CB -0.013 31.852 31.700 0.276 0.000 0.785 364 L N -0.155 121.024 121.223 -0.073 0.000 2.027 364 L HA -0.050 4.289 4.340 -0.001 0.000 0.206 364 L C 2.328 179.035 176.870 -0.271 0.000 1.074 364 L CA 1.786 56.490 54.840 -0.225 0.000 0.745 364 L CB -0.986 41.038 42.059 -0.058 0.000 0.898 364 L HN -0.243 nan 8.230 nan 0.000 0.433 365 R N -0.434 119.944 120.500 -0.204 0.000 2.091 365 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 365 R C 2.256 178.476 176.300 -0.133 0.000 1.136 365 R CA 1.415 57.415 56.100 -0.168 0.000 0.959 365 R CB -0.687 29.511 30.300 -0.170 0.000 0.856 365 R HN 0.548 nan 8.270 nan 0.000 0.437 366 A N 0.951 123.687 122.820 -0.141 0.000 1.902 366 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 366 A C 2.115 179.624 177.584 -0.126 0.000 1.181 366 A CA 1.476 53.449 52.037 -0.106 0.000 0.623 366 A CB -0.360 18.590 19.000 -0.084 0.000 0.818 366 A HN 0.106 nan 8.150 nan 0.000 0.443 367 R N 0.278 120.614 120.500 -0.274 0.000 2.081 367 R HA -0.011 4.329 4.340 -0.001 0.000 0.235 367 R C 1.768 178.035 176.300 -0.055 0.000 1.131 367 R CA 1.783 57.708 56.100 -0.293 0.000 0.960 367 R CB -0.775 29.001 30.300 -0.873 0.000 0.856 367 R HN 0.569 nan 8.270 nan 0.000 0.436 368 I N 0.158 120.671 120.570 -0.094 0.000 2.179 368 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 368 I C 2.280 178.513 176.117 0.194 0.000 1.088 368 I CA 1.392 62.752 61.300 0.101 0.000 1.357 368 I CB -0.467 37.531 38.000 -0.003 0.000 1.051 368 I HN 0.288 nan 8.210 nan 0.000 0.409 369 A N 0.176 123.041 122.820 0.075 0.000 1.940 369 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 369 A C 2.327 179.950 177.584 0.066 0.000 1.176 369 A CA 1.959 54.034 52.037 0.063 0.000 0.631 369 A CB -0.656 18.353 19.000 0.016 0.000 0.814 369 A HN 0.516 nan 8.150 nan 0.000 0.446 370 E N -1.296 118.944 120.200 0.067 0.000 2.077 370 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 370 E C 1.688 178.303 176.600 0.026 0.000 0.989 370 E CA 1.215 57.640 56.400 0.041 0.000 0.800 370 E CB -0.223 29.497 29.700 0.034 0.000 0.746 370 E HN 0.579 nan 8.360 nan 0.000 0.452 371 F N 0.946 120.831 119.950 -0.108 0.000 2.102 371 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 371 F C 2.276 177.967 175.800 -0.182 0.000 1.105 371 F CA 1.145 58.988 58.000 -0.262 0.000 1.239 371 F CB -0.332 38.457 39.000 -0.350 0.000 0.991 371 F HN 0.041 nan 8.300 nan 0.000 0.474 372 L N -0.876 120.356 121.223 0.015 0.000 2.127 372 L HA -0.207 4.132 4.340 -0.001 0.000 0.211 372 L C 2.326 179.214 176.870 0.030 0.000 1.089 372 L CA 1.193 56.026 54.840 -0.012 0.000 0.757 372 L CB -0.806 41.274 42.059 0.035 0.000 0.899 372 L HN 0.140 nan 8.230 nan 0.000 0.434 373 A N -1.721 121.117 122.820 0.030 0.000 2.238 373 A HA -0.040 4.279 4.320 -0.001 0.000 0.210 373 A C 0.601 178.194 177.584 0.015 0.000 1.179 373 A CA -0.254 51.794 52.037 0.019 0.000 0.827 373 A CB -0.264 18.743 19.000 0.011 0.000 0.856 373 A HN 0.261 nan 8.150 nan 0.000 0.488 374 D N 1.432 121.848 120.400 0.027 0.000 3.167 374 D HA -0.061 4.578 4.640 -0.001 0.000 0.232 374 D C -1.431 174.887 176.300 0.030 0.000 1.231 374 D CA -0.517 53.505 54.000 0.037 0.000 0.845 374 D CB 0.851 41.738 40.800 0.145 0.000 1.157 374 D HN 0.245 nan 8.370 nan 0.000 0.576 375 P HA 0.044 nan 4.420 nan 0.000 0.261 375 P C 0.339 177.594 177.300 -0.076 0.000 1.268 375 P CA -0.039 63.041 63.100 -0.033 0.000 0.833 375 P CB 0.339 32.017 31.700 -0.038 0.000 1.231 376 E N 0.462 120.588 120.200 -0.123 0.000 2.404 376 E HA 0.144 4.493 4.350 -0.001 0.000 0.261 376 E C -0.505 175.887 176.600 -0.348 0.000 1.074 376 E CA 0.248 56.464 56.400 -0.307 0.000 0.917 376 E CB 0.422 29.797 29.700 -0.541 0.000 0.965 376 E HN -0.090 nan 8.360 nan 0.000 0.433 377 T N 3.614 117.944 114.554 -0.374 0.000 2.772 377 T HA 0.286 4.636 4.350 -0.001 0.000 0.288 377 T C -1.178 173.327 174.700 -0.324 0.000 0.994 377 T CA -0.345 61.613 62.100 -0.237 0.000 0.951 377 T CB 0.070 68.864 68.868 -0.124 0.000 0.933 377 T HN 0.254 nan 8.240 nan 0.000 0.447 378 Y N 1.208 121.476 120.300 -0.054 0.000 2.376 378 Y HA 0.288 4.837 4.550 -0.001 0.000 0.325 378 Y C 1.746 177.617 175.900 -0.049 0.000 1.199 378 Y CA -0.811 57.259 58.100 -0.050 0.000 1.206 378 Y CB 0.976 39.399 38.460 -0.061 0.000 1.229 378 Y HN 0.667 nan 8.280 nan 0.000 0.480 379 E N 0.496 120.759 120.200 0.105 0.000 2.112 379 E HA -0.115 4.234 4.350 -0.001 0.000 0.190 379 E C -0.306 176.313 176.600 0.032 0.000 0.979 379 E CA 1.064 57.489 56.400 0.041 0.000 0.814 379 E CB 0.091 29.806 29.700 0.026 0.000 0.762 379 E HN 0.614 nan 8.360 nan 0.000 0.460 380 D N 0.468 120.891 120.400 0.040 0.000 2.540 380 D HA 0.277 4.916 4.640 -0.001 0.000 0.251 380 D C 0.564 176.838 176.300 -0.044 0.000 1.159 380 D CA -0.091 53.904 54.000 -0.009 0.000 0.974 380 D CB 0.187 40.974 40.800 -0.021 0.000 0.996 380 D HN 0.153 nan 8.370 nan 0.000 0.512 381 G N 1.466 110.242 108.800 -0.040 0.000 2.888 381 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.441 381 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.441 381 G C 0.071 174.920 174.900 -0.085 0.000 1.461 381 G CA -0.387 44.666 45.100 -0.078 0.000 0.897 381 G HN 0.466 nan 8.290 nan 0.000 0.547 382 M N 0.062 119.588 119.600 -0.125 0.000 2.103 382 M HA 0.377 4.857 4.480 -0.001 0.000 0.291 382 M C 1.025 177.136 176.300 -0.316 0.000 1.216 382 M CA -0.031 55.179 55.300 -0.151 0.000 1.132 382 M CB 0.376 32.886 32.600 -0.150 0.000 1.396 382 M HN 0.498 nan 8.290 nan 0.000 0.479 383 R N 0.266 120.516 120.500 -0.417 0.000 2.532 383 R HA 0.318 4.658 4.340 -0.001 0.000 0.295 383 R C 0.800 176.758 176.300 -0.570 0.000 0.968 383 R CA -0.452 55.295 56.100 -0.588 0.000 0.916 383 R CB 1.049 30.852 30.300 -0.828 0.000 1.124 383 R HN 0.546 nan 8.270 nan 0.000 0.463 384 V N 3.032 122.649 119.914 -0.495 0.000 2.392 384 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 384 V C 2.294 178.265 176.094 -0.206 0.000 1.059 384 V CA 2.141 64.213 62.300 -0.379 0.000 1.051 384 V CB -0.888 30.601 31.823 -0.558 0.000 0.658 384 V HN 0.759 nan 8.190 nan 0.000 0.455 385 H N 0.611 119.665 119.070 -0.026 0.000 2.422 385 H HA -0.192 4.363 4.556 -0.001 0.000 0.298 385 H C 2.021 177.255 175.328 -0.157 0.000 1.098 385 H CA 1.739 57.693 56.048 -0.157 0.000 1.315 385 H CB -0.502 29.088 29.762 -0.286 0.000 1.382 385 H HN 0.508 nan 8.280 nan 0.000 0.523 386 Q N 0.777 120.373 119.800 -0.340 0.000 2.172 386 Q HA -0.023 4.316 4.340 -0.001 0.000 0.200 386 Q C 2.750 178.687 176.000 -0.106 0.000 0.964 386 Q CA 1.234 56.937 55.803 -0.167 0.000 0.855 386 Q CB 0.210 28.838 28.738 -0.183 0.000 0.918 386 Q HN 0.277 nan 8.270 nan 0.000 0.444 387 V N 0.922 120.757 119.914 -0.132 0.000 2.307 387 V HA -0.245 3.875 4.120 -0.001 0.000 0.245 387 V C 2.089 178.181 176.094 -0.005 0.000 1.045 387 V CA 1.573 63.825 62.300 -0.080 0.000 1.024 387 V CB -0.382 31.373 31.823 -0.114 0.000 0.651 387 V HN 0.320 nan 8.190 nan 0.000 0.449 388 I N 0.364 120.955 120.570 0.035 0.000 2.315 388 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 388 I C 2.309 178.486 176.117 0.100 0.000 1.117 388 I CA 1.856 63.225 61.300 0.115 0.000 1.404 388 I CB -0.398 37.726 38.000 0.205 0.000 1.071 388 I HN 0.369 nan 8.210 nan 0.000 0.419 389 D N 0.571 121.000 120.400 0.048 0.000 2.116 389 D HA -0.187 4.453 4.640 -0.001 0.000 0.193 389 D C 2.216 178.551 176.300 0.059 0.000 0.998 389 D CA 1.798 55.827 54.000 0.048 0.000 0.836 389 D CB 0.124 40.934 40.800 0.017 0.000 0.951 389 D HN 0.173 nan 8.370 nan 0.000 0.449 390 S N -0.616 115.109 115.700 0.042 0.000 2.368 390 S HA -0.154 4.315 4.470 -0.001 0.000 0.225 390 S C 2.081 176.739 174.600 0.095 0.000 1.030 390 S CA 1.053 59.281 58.200 0.047 0.000 0.999 390 S CB -0.281 62.926 63.200 0.011 0.000 0.844 390 S HN 0.349 nan 8.310 nan 0.000 0.459 391 M N 1.593 121.267 119.600 0.124 0.000 2.117 391 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 391 M C 1.871 178.344 176.300 0.288 0.000 1.065 391 M CA 1.095 56.543 55.300 0.248 0.000 1.114 391 M CB -0.654 32.103 32.600 0.262 0.000 1.361 391 M HN 0.195 nan 8.290 nan 0.000 0.408 392 N N 0.175 118.985 118.700 0.183 0.000 2.069 392 N HA -0.126 4.613 4.740 -0.001 0.000 0.191 392 N C 1.684 177.261 175.510 0.112 0.000 1.031 392 N CA 1.929 55.059 53.050 0.133 0.000 0.852 392 N CB -0.842 37.709 38.487 0.108 0.000 1.018 392 N HN 0.318 nan 8.380 nan 0.000 0.423 393 T N 0.784 115.403 114.554 0.108 0.000 2.652 393 T HA -0.061 4.289 4.350 -0.001 0.000 0.267 393 T C 2.104 176.868 174.700 0.106 0.000 1.039 393 T CA 1.234 63.387 62.100 0.087 0.000 1.153 393 T CB -0.383 68.526 68.868 0.070 0.000 0.863 393 T HN 0.002 nan 8.240 nan 0.000 0.428 394 V N 1.265 121.280 119.914 0.168 0.000 2.548 394 V HA -0.102 4.018 4.120 -0.001 0.000 0.249 394 V C 2.394 178.622 176.094 0.224 0.000 1.055 394 V CA 1.452 63.882 62.300 0.217 0.000 1.065 394 V CB -0.645 31.337 31.823 0.265 0.000 0.681 394 V HN 0.369 nan 8.190 nan 0.000 0.462 395 M N 0.815 120.520 119.600 0.176 0.000 2.086 395 M HA -0.184 4.296 4.480 -0.001 0.000 0.261 395 M C 2.055 178.311 176.300 -0.074 0.000 1.067 395 M CA 2.011 57.210 55.300 -0.168 0.000 1.116 395 M CB -0.718 31.716 32.600 -0.276 0.000 1.348 395 M HN 0.405 nan 8.290 nan 0.000 0.407 396 E N -0.372 119.828 120.200 -0.001 0.000 2.118 396 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 396 E C 1.802 178.411 176.600 0.014 0.000 0.992 396 E CA 1.738 58.143 56.400 0.008 0.000 0.804 396 E CB -0.105 29.612 29.700 0.027 0.000 0.741 396 E HN 0.714 nan 8.360 nan 0.000 0.458 397 E N -0.107 120.113 120.200 0.034 0.000 2.047 397 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 397 E C 1.995 178.613 176.600 0.031 0.000 0.987 397 E CA 0.989 57.411 56.400 0.037 0.000 0.799 397 E CB -0.101 29.632 29.700 0.054 0.000 0.752 397 E HN 0.323 nan 8.360 nan 0.000 0.449 398 A N 1.310 124.151 122.820 0.035 0.000 1.929 398 A HA 0.170 4.490 4.320 -0.001 0.000 0.216 398 A C 1.379 178.957 177.584 -0.009 0.000 1.176 398 A CA 0.891 52.945 52.037 0.028 0.000 0.628 398 A CB -0.150 18.890 19.000 0.067 0.000 0.816 398 A HN 0.236 nan 8.150 nan 0.000 0.444 399 A N 0.435 123.231 122.820 -0.041 0.000 2.304 399 A HA 0.533 4.852 4.320 -0.001 0.000 0.301 399 A C -0.075 177.500 177.584 -0.016 0.000 1.132 399 A CA -0.601 51.411 52.037 -0.042 0.000 0.819 399 A CB 0.284 19.240 19.000 -0.074 0.000 1.094 399 A HN 0.322 nan 8.150 nan 0.000 0.492 400 E N 1.078 121.273 120.200 -0.008 0.000 2.408 400 E HA 0.198 4.548 4.350 -0.001 0.000 0.259 400 E C -2.280 174.321 176.600 0.002 0.000 1.110 400 E CA -1.576 54.825 56.400 0.001 0.000 0.929 400 E CB -0.287 29.416 29.700 0.005 0.000 0.971 400 E HN 0.331 nan 8.360 nan 0.000 0.438 401 P HA 0.016 nan 4.420 nan 0.000 0.264 401 P C 0.509 177.818 177.300 0.014 0.000 1.193 401 P CA 0.930 64.037 63.100 0.012 0.000 0.763 401 P CB 0.325 32.034 31.700 0.015 0.000 0.810 402 G N 1.349 110.159 108.800 0.016 0.000 2.153 402 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.252 402 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.252 402 G C -0.058 174.852 174.900 0.017 0.000 0.994 402 G CA -0.049 45.062 45.100 0.019 0.000 0.698 402 G HN 0.571 nan 8.290 nan 0.000 0.521 403 E N -1.222 118.984 120.200 0.009 0.000 2.423 403 E HA 0.664 5.013 4.350 -0.001 0.000 0.269 403 E C 0.316 176.907 176.600 -0.014 0.000 0.948 403 E CA -0.479 55.924 56.400 0.005 0.000 0.802 403 E CB 2.093 31.794 29.700 0.002 0.000 1.339 403 E HN 1.553 nan 8.360 nan 0.000 0.445 404 G N 0.309 109.095 108.800 -0.023 0.000 2.650 404 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.686 404 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.686 404 G C -0.880 174.004 174.900 -0.026 0.000 1.205 404 G CA -0.704 44.356 45.100 -0.066 0.000 0.781 404 G HN 0.401 nan 8.290 nan 0.000 0.648 405 T N 1.105 115.634 114.554 -0.042 0.000 2.921 405 T HA 0.653 5.002 4.350 -0.001 0.000 0.297 405 T C 0.092 174.811 174.700 0.033 0.000 1.013 405 T CA -0.472 61.643 62.100 0.025 0.000 0.990 405 T CB 1.583 70.474 68.868 0.038 0.000 1.023 405 T HN 0.680 nan 8.240 nan 0.000 0.447 406 I N 2.837 123.480 120.570 0.121 0.000 2.362 406 I HA 0.476 4.646 4.170 -0.001 0.000 0.289 406 I C -0.443 175.757 176.117 0.139 0.000 0.994 406 I CA -1.003 60.422 61.300 0.208 0.000 1.158 406 I CB 1.621 39.821 38.000 0.333 0.000 1.315 406 I HN 0.285 nan 8.210 nan 0.000 0.451 407 V N 4.800 124.779 119.914 0.108 0.000 2.547 407 V HA 0.444 4.563 4.120 -0.001 0.000 0.299 407 V C 0.020 176.164 176.094 0.083 0.000 1.040 407 V CA -0.448 61.857 62.300 0.008 0.000 0.913 407 V CB 1.812 33.653 31.823 0.029 0.000 0.992 407 V HN 0.757 nan 8.190 nan 0.000 0.449 408 S N 2.548 118.256 115.700 0.015 0.000 2.532 408 S HA 0.356 4.825 4.470 -0.001 0.000 0.299 408 S C -0.425 174.349 174.600 0.290 0.000 1.105 408 S CA -0.684 57.653 58.200 0.228 0.000 1.018 408 S CB 1.321 64.664 63.200 0.239 0.000 1.021 408 S HN 0.891 nan 8.310 nan 0.000 0.483 409 D N 2.189 122.869 120.400 0.466 0.000 2.289 409 D HA 0.208 4.848 4.640 -0.001 0.000 0.266 409 D C -0.086 176.392 176.300 0.297 0.000 1.243 409 D CA -0.046 54.244 54.000 0.483 0.000 1.019 409 D CB 0.428 41.548 40.800 0.534 0.000 1.126 409 D HN 0.418 nan 8.370 nan 0.000 0.541 410 I N -0.538 120.200 120.570 0.280 0.000 2.493 410 I HA 0.582 4.751 4.170 -0.001 0.000 0.298 410 I C 1.009 177.146 176.117 0.034 0.000 0.998 410 I CA -0.208 61.106 61.300 0.024 0.000 1.137 410 I CB 0.499 38.571 38.000 0.120 0.000 1.310 410 I HN 0.605 nan 8.210 nan 0.000 0.445 411 G N 4.135 112.779 108.800 -0.260 0.000 2.356 411 G HA2 0.044 4.004 3.960 -0.001 0.000 0.288 411 G HA3 0.044 4.004 3.960 -0.001 0.000 0.288 411 G C -0.283 174.513 174.900 -0.173 0.000 1.302 411 G CA -0.651 44.423 45.100 -0.042 0.000 0.887 411 G HN 0.292 nan 8.290 nan 0.000 0.521 412 F N 0.961 120.846 119.950 -0.108 0.000 2.134 412 F HA 0.037 4.564 4.527 -0.001 0.000 0.299 412 F C 2.588 178.383 175.800 -0.008 0.000 1.097 412 F CA 2.210 60.117 58.000 -0.155 0.000 1.264 412 F CB -0.646 38.137 39.000 -0.361 0.000 1.001 412 F HN 0.454 nan 8.300 nan 0.000 0.479 413 F N 0.215 120.239 119.950 0.123 0.000 2.250 413 F HA -0.083 4.444 4.527 -0.001 0.000 0.301 413 F C 2.324 178.204 175.800 0.132 0.000 1.077 413 F CA 1.383 59.441 58.000 0.096 0.000 1.348 413 F CB -1.256 37.816 39.000 0.121 0.000 1.040 413 F HN -0.110 nan 8.300 nan 0.000 0.509 414 R N 0.721 120.627 120.500 -0.991 0.000 2.096 414 R HA -0.180 4.159 4.340 -0.001 0.000 0.235 414 R C 2.037 178.063 176.300 -0.456 0.000 1.127 414 R CA 1.998 57.681 56.100 -0.694 0.000 0.968 414 R CB -0.988 28.793 30.300 -0.865 0.000 0.861 414 R HN 0.476 nan 8.270 nan 0.000 0.440 415 H N -1.070 117.815 119.070 -0.307 0.000 2.462 415 H HA -0.090 4.465 4.556 -0.001 0.000 0.292 415 H C 1.740 176.910 175.328 -0.264 0.000 1.049 415 H CA 1.181 57.030 56.048 -0.332 0.000 1.334 415 H CB -0.215 29.303 29.762 -0.407 0.000 1.404 415 H HN 0.245 nan 8.280 nan 0.000 0.544 416 Y N 0.917 121.154 120.300 -0.104 0.000 2.181 416 Y HA -0.147 4.402 4.550 -0.001 0.000 0.288 416 Y C 2.891 178.846 175.900 0.092 0.000 1.146 416 Y CA 1.201 59.375 58.100 0.124 0.000 1.164 416 Y CB -0.735 37.901 38.460 0.294 0.000 0.982 416 Y HN 0.206 nan 8.280 nan 0.000 0.515 417 G N -0.342 108.573 108.800 0.191 0.000 2.446 417 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 417 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 417 G C 1.844 176.398 174.900 -0.577 0.000 1.168 417 G CA 1.589 46.691 45.100 0.003 0.000 0.771 417 G HN 0.286 nan 8.290 nan 0.000 0.551 418 V N 0.945 120.566 119.914 -0.490 0.000 2.287 418 V HA -0.179 3.941 4.120 -0.001 0.000 0.248 418 V C 2.935 178.758 176.094 -0.453 0.000 1.053 418 V CA 1.771 63.754 62.300 -0.527 0.000 1.027 418 V CB -0.473 31.108 31.823 -0.403 0.000 0.646 418 V HN 0.355 nan 8.190 nan 0.000 0.447 419 L N -1.853 119.068 121.223 -0.503 0.000 2.109 419 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 419 L C 2.146 178.634 176.870 -0.636 0.000 1.086 419 L CA 1.569 55.979 54.840 -0.718 0.000 0.760 419 L CB -0.314 40.975 42.059 -1.283 0.000 0.910 419 L HN 0.305 nan 8.230 nan 0.000 0.437 420 F N -0.766 119.094 119.950 -0.149 0.000 2.712 420 F HA 0.343 4.869 4.527 -0.001 0.000 0.297 420 F C 1.347 177.102 175.800 -0.075 0.000 1.114 420 F CA -0.687 57.273 58.000 -0.065 0.000 1.305 420 F CB -0.360 38.668 39.000 0.046 0.000 1.086 420 F HN -0.210 nan 8.300 nan 0.000 0.599 421 A N 1.687 124.487 122.820 -0.032 0.000 2.440 421 A HA 0.295 4.614 4.320 -0.001 0.000 0.251 421 A C 0.659 178.224 177.584 -0.031 0.000 1.089 421 A CA -0.405 51.608 52.037 -0.040 0.000 0.779 421 A CB -0.004 18.902 19.000 -0.156 0.000 1.022 421 A HN 0.328 nan 8.150 nan 0.000 0.492 422 R N 1.771 122.309 120.500 0.063 0.000 2.522 422 R HA 0.367 4.706 4.340 -0.001 0.000 0.284 422 R C -0.343 176.008 176.300 0.086 0.000 1.032 422 R CA 0.771 56.909 56.100 0.063 0.000 1.049 422 R CB 0.190 30.530 30.300 0.067 0.000 0.956 422 R HN 0.859 nan 8.270 nan 0.000 0.422 423 A N 4.275 127.139 122.820 0.073 0.000 2.499 423 A HA 0.190 4.509 4.320 -0.001 0.000 0.280 423 A C -0.894 176.729 177.584 0.065 0.000 1.135 423 A CA -0.729 51.369 52.037 0.101 0.000 0.744 423 A CB 1.403 20.489 19.000 0.144 0.000 1.213 423 A HN 0.841 nan 8.150 nan 0.000 0.434 424 D N 1.594 122.027 120.400 0.054 0.000 2.424 424 D HA 0.187 4.827 4.640 -0.001 0.000 0.220 424 D C 0.360 176.679 176.300 0.031 0.000 1.150 424 D CA 0.692 54.715 54.000 0.039 0.000 0.831 424 D CB 0.165 40.984 40.800 0.031 0.000 0.981 424 D HN 0.751 nan 8.370 nan 0.000 0.500 425 Q N -1.794 118.026 119.800 0.033 0.000 2.578 425 Q HA 0.462 4.801 4.340 -0.001 0.000 0.284 425 Q C -3.079 172.918 176.000 -0.005 0.000 0.960 425 Q CA -1.972 53.840 55.803 0.014 0.000 0.809 425 Q CB 1.176 29.930 28.738 0.026 0.000 1.462 425 Q HN -0.259 nan 8.270 nan 0.000 0.392 426 P HA 0.041 nan 4.420 nan 0.000 0.265 426 P C -0.820 176.390 177.300 -0.150 0.000 1.193 426 P CA 0.453 63.407 63.100 -0.243 0.000 0.765 426 P CB -0.050 31.418 31.700 -0.386 0.000 0.823 427 F N 0.779 120.770 119.950 0.069 0.000 3.057 427 F HA -0.187 4.339 4.527 -0.001 0.000 0.287 427 F C 1.644 177.486 175.800 0.070 0.000 0.834 427 F CA 1.148 59.186 58.000 0.065 0.000 1.147 427 F CB -2.622 36.401 39.000 0.039 0.000 1.245 427 F HN 0.482 nan 8.300 nan 0.000 0.509 428 G N -1.209 107.719 108.800 0.215 0.000 2.511 428 G HA2 0.061 4.020 3.960 -0.001 0.000 0.217 428 G HA3 0.061 4.020 3.960 -0.001 0.000 0.217 428 G C 0.168 175.217 174.900 0.248 0.000 1.133 428 G CA 0.623 45.829 45.100 0.177 0.000 0.792 428 G HN 0.345 nan 8.290 nan 0.000 0.539 429 F N 1.060 121.088 119.950 0.130 0.000 2.477 429 F HA 0.661 5.188 4.527 -0.001 0.000 0.335 429 F C -0.930 174.975 175.800 0.174 0.000 1.130 429 F CA -1.617 56.463 58.000 0.133 0.000 0.948 429 F CB 1.284 40.351 39.000 0.112 0.000 1.154 429 F HN -0.246 nan 8.300 nan 0.000 0.439 430 L N 6.278 127.245 121.223 -0.427 0.000 2.313 430 L HA 0.647 4.986 4.340 -0.001 0.000 0.283 430 L C -0.092 176.505 176.870 -0.455 0.000 1.013 430 L CA -0.447 54.226 54.840 -0.278 0.000 0.816 430 L CB 1.953 43.970 42.059 -0.070 0.000 1.236 430 L HN 0.722 nan 8.230 nan 0.000 0.419 431 T N 0.471 114.859 114.554 -0.276 0.000 2.731 431 T HA 0.281 4.630 4.350 -0.001 0.000 0.300 431 T C -1.196 173.302 174.700 -0.336 0.000 1.283 431 T CA -0.361 61.595 62.100 -0.239 0.000 1.005 431 T CB 2.111 70.801 68.868 -0.297 0.000 1.420 431 T HN 0.397 nan 8.240 nan 0.000 0.503 432 S N 1.027 116.303 115.700 -0.706 0.000 2.434 432 S HA 0.597 5.066 4.470 -0.001 0.000 0.318 432 S C 0.977 175.441 174.600 -0.227 0.000 1.062 432 S CA -0.011 57.788 58.200 -0.670 0.000 1.116 432 S CB 0.043 62.576 63.200 -1.111 0.000 0.977 432 S HN 0.796 nan 8.310 nan 0.000 0.480 433 A N 4.391 127.157 122.820 -0.090 0.000 1.935 433 A HA 0.300 4.619 4.320 -0.001 0.000 0.214 433 A C 1.889 179.419 177.584 -0.090 0.000 1.178 433 A CA 1.069 53.093 52.037 -0.022 0.000 0.640 433 A CB -0.850 18.082 19.000 -0.112 0.000 0.825 433 A HN 0.826 nan 8.150 nan 0.000 0.447 434 G N -1.478 107.261 108.800 -0.102 0.000 2.447 434 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.211 434 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.211 434 G C 1.695 176.549 174.900 -0.076 0.000 1.184 434 G CA 1.104 46.146 45.100 -0.098 0.000 0.813 434 G HN 0.516 nan 8.290 nan 0.000 0.540 435 C N 0.183 119.444 119.300 -0.064 0.000 2.519 435 C HA 0.346 4.806 4.460 -0.001 0.000 0.281 435 C C 1.722 176.686 174.990 -0.043 0.000 1.331 435 C CA 1.192 60.188 59.018 -0.038 0.000 1.725 435 C CB -0.638 27.107 27.740 0.008 0.000 2.079 435 C HN 0.489 nan 8.230 nan 0.000 0.496 436 S N 1.350 117.003 115.700 -0.077 0.000 3.628 436 S HA -0.168 4.301 4.470 -0.001 0.000 0.373 436 S C 0.071 174.666 174.600 -0.008 0.000 0.968 436 S CA 0.693 58.850 58.200 -0.071 0.000 1.215 436 S CB -1.764 61.415 63.200 -0.035 0.000 0.912 436 S HN 0.871 nan 8.310 nan 0.000 0.495 437 S N 2.189 117.930 115.700 0.068 0.000 2.505 437 S HA 0.522 4.991 4.470 -0.001 0.000 0.276 437 S C 0.586 175.363 174.600 0.296 0.000 1.274 437 S CA -0.804 57.473 58.200 0.128 0.000 1.053 437 S CB -0.047 63.256 63.200 0.172 0.000 0.919 437 S HN 0.537 nan 8.310 nan 0.000 0.490 438 F N 3.831 123.801 119.950 0.032 0.000 2.545 438 F HA 0.532 5.059 4.527 -0.001 0.000 0.348 438 F C 1.253 177.099 175.800 0.077 0.000 1.163 438 F CA -0.815 57.240 58.000 0.092 0.000 1.331 438 F CB -1.062 37.995 39.000 0.096 0.000 1.138 438 F HN 0.831 nan 8.300 nan 0.000 0.602 439 G N 2.031 110.948 108.800 0.195 0.000 2.195 439 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.246 439 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.246 439 G C 0.767 175.920 174.900 0.422 0.000 0.984 439 G CA 0.380 45.552 45.100 0.120 0.000 0.633 439 G HN 1.036 nan 8.290 nan 0.000 0.525 440 Y N 1.693 122.214 120.300 0.369 0.000 2.241 440 Y HA 0.014 4.564 4.550 -0.001 0.000 0.286 440 Y C 2.536 178.490 175.900 0.088 0.000 1.166 440 Y CA 2.707 60.959 58.100 0.254 0.000 1.203 440 Y CB -0.489 38.094 38.460 0.205 0.000 0.977 440 Y HN 0.271 nan 8.280 nan 0.000 0.529 441 G N 0.621 109.533 108.800 0.186 0.000 2.480 441 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.216 441 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.216 441 G C 1.748 176.622 174.900 -0.043 0.000 1.200 441 G CA 1.464 46.624 45.100 0.101 0.000 0.782 441 G HN 0.487 nan 8.290 nan 0.000 0.554 442 I N 1.966 122.524 120.570 -0.021 0.000 2.091 442 I HA -0.159 4.011 4.170 -0.001 0.000 0.239 442 I C 0.114 176.133 176.117 -0.164 0.000 1.061 442 I CA 1.588 62.852 61.300 -0.059 0.000 1.317 442 I CB -0.902 37.050 38.000 -0.080 0.000 1.031 442 I HN 0.212 nan 8.210 nan 0.000 0.401 443 P HA -0.159 nan 4.420 nan 0.000 0.217 443 P C 1.342 178.373 177.300 -0.448 0.000 1.150 443 P CA 1.978 64.850 63.100 -0.380 0.000 0.832 443 P CB -0.070 31.314 31.700 -0.526 0.000 0.787 444 A N 0.522 122.999 122.820 -0.572 0.000 1.930 444 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 444 A C 2.470 179.885 177.584 -0.281 0.000 1.175 444 A CA 2.022 53.723 52.037 -0.559 0.000 0.627 444 A CB -1.492 16.988 19.000 -0.866 0.000 0.815 444 A HN 0.217 nan 8.150 nan 0.000 0.443 445 A N -0.021 122.686 122.820 -0.187 0.000 1.930 445 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 445 A C 2.101 179.641 177.584 -0.073 0.000 1.175 445 A CA 1.437 53.429 52.037 -0.076 0.000 0.627 445 A CB -0.589 18.405 19.000 -0.009 0.000 0.815 445 A HN 0.492 nan 8.150 nan 0.000 0.443 446 I N -0.275 120.229 120.570 -0.110 0.000 2.127 446 I HA -0.236 3.933 4.170 -0.001 0.000 0.241 446 I C 2.745 178.802 176.117 -0.100 0.000 1.075 446 I CA 1.292 62.540 61.300 -0.087 0.000 1.334 446 I CB -0.692 37.243 38.000 -0.107 0.000 1.040 446 I HN 0.396 nan 8.210 nan 0.000 0.405 447 G N 0.326 109.004 108.800 -0.203 0.000 2.440 447 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 447 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 447 G C 1.846 176.685 174.900 -0.102 0.000 1.154 447 G CA 0.897 45.878 45.100 -0.198 0.000 0.767 447 G HN 0.507 nan 8.290 nan 0.000 0.552 448 A N 0.173 122.935 122.820 -0.097 0.000 1.877 448 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 448 A C 2.331 179.910 177.584 -0.009 0.000 1.186 448 A CA 2.274 54.284 52.037 -0.045 0.000 0.620 448 A CB -0.514 18.465 19.000 -0.036 0.000 0.822 448 A HN 0.406 nan 8.150 nan 0.000 0.443 449 Q N -0.532 119.267 119.800 -0.002 0.000 2.124 449 Q HA -0.050 4.290 4.340 -0.001 0.000 0.202 449 Q C 1.958 177.973 176.000 0.026 0.000 0.977 449 Q CA 1.981 57.797 55.803 0.021 0.000 0.850 449 Q CB -0.395 28.362 28.738 0.032 0.000 0.901 449 Q HN 0.699 nan 8.270 nan 0.000 0.429 450 M N -1.156 118.460 119.600 0.027 0.000 2.254 450 M HA -0.021 4.459 4.480 -0.001 0.000 0.265 450 M C 2.017 178.340 176.300 0.038 0.000 1.066 450 M CA 1.239 56.566 55.300 0.045 0.000 1.123 450 M CB -0.149 32.505 32.600 0.090 0.000 1.388 450 M HN 0.303 nan 8.290 nan 0.000 0.425 451 A N 0.405 123.240 122.820 0.026 0.000 2.014 451 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 451 A C 1.279 178.881 177.584 0.030 0.000 1.163 451 A CA 1.018 53.071 52.037 0.025 0.000 0.652 451 A CB -0.121 18.885 19.000 0.011 0.000 0.808 451 A HN 0.426 nan 8.150 nan 0.000 0.449 452 R N -0.581 119.935 120.500 0.027 0.000 2.738 452 R HA 0.193 4.532 4.340 -0.001 0.000 0.280 452 R C -2.201 174.114 176.300 0.026 0.000 1.456 452 R CA -1.438 54.679 56.100 0.029 0.000 1.612 452 R CB 0.945 31.263 30.300 0.030 0.000 1.286 452 R HN 0.260 nan 8.270 nan 0.000 0.660 453 P HA -0.144 nan 4.420 nan 0.000 0.220 453 P C -0.005 177.310 177.300 0.025 0.000 1.148 453 P CA 1.224 64.340 63.100 0.026 0.000 0.803 453 P CB 0.385 32.099 31.700 0.023 0.000 0.782 454 D N -0.967 119.447 120.400 0.023 0.000 2.368 454 D HA 0.092 4.732 4.640 -0.001 0.000 0.218 454 D C 0.675 176.985 176.300 0.018 0.000 1.112 454 D CA 0.298 54.310 54.000 0.020 0.000 0.834 454 D CB 0.431 41.241 40.800 0.018 0.000 0.953 454 D HN 0.369 nan 8.370 nan 0.000 0.505 455 Q N 0.799 120.609 119.800 0.017 0.000 2.301 455 Q HA 0.427 4.767 4.340 -0.001 0.000 0.267 455 Q C -2.569 173.434 176.000 0.004 0.000 1.035 455 Q CA -2.003 53.803 55.803 0.005 0.000 0.856 455 Q CB 2.112 30.852 28.738 0.003 0.000 1.337 455 Q HN -0.115 nan 8.270 nan 0.000 0.450 456 P HA 0.118 nan 4.420 nan 0.000 0.275 456 P C -1.095 176.169 177.300 -0.060 0.000 1.228 456 P CA -0.187 62.894 63.100 -0.032 0.000 0.786 456 P CB 0.747 32.359 31.700 -0.148 0.000 0.927 457 T N 3.204 117.806 114.554 0.079 0.000 2.906 457 T HA 0.495 4.844 4.350 -0.001 0.000 0.302 457 T C -0.797 174.132 174.700 0.382 0.000 1.002 457 T CA -0.189 61.985 62.100 0.123 0.000 0.988 457 T CB 0.024 68.953 68.868 0.101 0.000 0.972 457 T HN 0.046 nan 8.240 nan 0.000 0.447 458 F N 2.677 122.663 119.950 0.060 0.000 2.450 458 F HA 0.746 5.272 4.527 -0.001 0.000 0.332 458 F C -0.091 175.745 175.800 0.060 0.000 1.093 458 F CA -2.152 55.884 58.000 0.061 0.000 1.003 458 F CB 1.532 40.576 39.000 0.074 0.000 1.151 458 F HN 0.315 nan 8.300 nan 0.000 0.474 459 L N 4.672 126.022 121.223 0.211 0.000 2.362 459 L HA 0.658 4.998 4.340 -0.001 0.000 0.275 459 L C -1.306 175.607 176.870 0.070 0.000 0.998 459 L CA -0.531 54.389 54.840 0.134 0.000 0.820 459 L CB 1.620 43.735 42.059 0.094 0.000 1.270 459 L HN 0.581 nan 8.230 nan 0.000 0.415 460 I N 4.632 125.268 120.570 0.110 0.000 2.404 460 I HA 0.866 5.035 4.170 -0.001 0.000 0.293 460 I C -0.827 175.264 176.117 -0.044 0.000 0.992 460 I CA -0.237 61.060 61.300 -0.004 0.000 1.149 460 I CB 1.465 39.521 38.000 0.092 0.000 1.315 460 I HN 0.905 nan 8.210 nan 0.000 0.446 461 A N 4.814 127.408 122.820 -0.377 0.000 2.587 461 A HA 0.815 5.135 4.320 -0.001 0.000 0.293 461 A C -0.563 176.510 177.584 -0.852 0.000 1.087 461 A CA -0.384 51.396 52.037 -0.427 0.000 0.692 461 A CB 1.327 20.361 19.000 0.057 0.000 1.291 461 A HN 0.812 nan 8.150 nan 0.000 0.407 462 G N -0.406 107.961 108.800 -0.722 0.000 2.502 462 G HA2 0.444 4.404 3.960 -0.001 0.000 0.305 462 G HA3 0.444 4.404 3.960 -0.001 0.000 0.305 462 G C 0.412 175.231 174.900 -0.134 0.000 1.190 462 G CA 0.317 45.203 45.100 -0.357 0.000 0.933 462 G HN 0.804 nan 8.290 nan 0.000 0.503 463 D N -0.117 120.230 120.400 -0.088 0.000 2.144 463 D HA -0.107 4.533 4.640 -0.001 0.000 0.199 463 D C 2.092 178.474 176.300 0.136 0.000 0.984 463 D CA 1.328 55.303 54.000 -0.042 0.000 0.834 463 D CB -0.659 40.252 40.800 0.185 0.000 0.955 463 D HN 0.461 nan 8.370 nan 0.000 0.465 464 G N 0.974 109.929 108.800 0.258 0.000 2.434 464 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.214 464 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.214 464 G C 1.787 176.701 174.900 0.023 0.000 1.202 464 G CA 1.132 46.409 45.100 0.295 0.000 0.788 464 G HN 0.463 nan 8.290 nan 0.000 0.539 465 G N 0.060 108.932 108.800 0.121 0.000 2.402 465 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.216 465 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.216 465 G C 1.650 176.446 174.900 -0.173 0.000 1.162 465 G CA 0.833 45.851 45.100 -0.137 0.000 0.777 465 G HN 0.322 nan 8.290 nan 0.000 0.539 466 F N 0.915 120.786 119.950 -0.132 0.000 2.102 466 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 466 F C 2.437 178.198 175.800 -0.064 0.000 1.105 466 F CA 1.943 59.860 58.000 -0.139 0.000 1.239 466 F CB -0.226 38.602 39.000 -0.287 0.000 0.991 466 F HN 0.256 nan 8.300 nan 0.000 0.474 467 H N -0.193 118.821 119.070 -0.093 0.000 2.495 467 H HA -0.016 4.539 4.556 -0.001 0.000 0.287 467 H C 2.443 177.586 175.328 -0.309 0.000 1.033 467 H CA 1.043 57.029 56.048 -0.103 0.000 1.307 467 H CB -0.421 29.378 29.762 0.061 0.000 1.401 467 H HN 0.351 nan 8.280 nan 0.000 0.555 468 S N -0.845 114.573 115.700 -0.470 0.000 2.419 468 S HA -0.157 4.313 4.470 -0.001 0.000 0.235 468 S C 1.491 175.801 174.600 -0.482 0.000 1.019 468 S CA 1.541 59.369 58.200 -0.620 0.000 0.982 468 S CB -0.057 62.381 63.200 -1.270 0.000 0.789 468 S HN 0.435 nan 8.310 nan 0.000 0.490 469 N N 0.071 118.509 118.700 -0.437 0.000 2.475 469 N HA 0.226 4.965 4.740 -0.001 0.000 0.272 469 N C 0.764 176.043 175.510 -0.385 0.000 1.482 469 N CA 0.535 53.385 53.050 -0.332 0.000 0.863 469 N CB 0.631 39.021 38.487 -0.162 0.000 1.400 469 N HN 0.383 nan 8.380 nan 0.000 0.489 470 S N -2.095 113.335 115.700 -0.450 0.000 2.489 470 S HA 0.009 4.478 4.470 -0.001 0.000 0.228 470 S C 1.635 176.107 174.600 -0.214 0.000 0.995 470 S CA 0.484 58.379 58.200 -0.509 0.000 0.934 470 S CB -0.077 62.975 63.200 -0.248 0.000 0.771 470 S HN 0.134 nan 8.310 nan 0.000 0.522 471 S N 2.171 117.781 115.700 -0.149 0.000 2.442 471 S HA -0.060 4.410 4.470 -0.001 0.000 0.236 471 S C 1.175 175.754 174.600 -0.036 0.000 1.007 471 S CA 0.953 59.117 58.200 -0.061 0.000 0.965 471 S CB -0.389 62.786 63.200 -0.042 0.000 0.773 471 S HN 0.551 nan 8.310 nan 0.000 0.504 472 D N 1.143 121.506 120.400 -0.062 0.000 2.352 472 D HA 0.095 4.735 4.640 -0.001 0.000 0.232 472 D C 1.442 177.730 176.300 -0.020 0.000 1.055 472 D CA 0.107 54.088 54.000 -0.032 0.000 0.891 472 D CB -0.022 40.755 40.800 -0.038 0.000 0.897 472 D HN 0.359 nan 8.370 nan 0.000 0.529 473 L N 0.711 121.926 121.223 -0.013 0.000 2.079 473 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 473 L C 2.564 179.458 176.870 0.041 0.000 1.081 473 L CA 1.087 55.954 54.840 0.044 0.000 0.752 473 L CB -0.240 41.875 42.059 0.092 0.000 0.896 473 L HN 0.005 nan 8.230 nan 0.000 0.433 474 E N -0.071 120.147 120.200 0.031 0.000 2.118 474 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 474 E C 1.956 178.574 176.600 0.031 0.000 0.992 474 E CA 1.977 58.396 56.400 0.032 0.000 0.804 474 E CB -0.003 29.715 29.700 0.029 0.000 0.741 474 E HN 0.454 nan 8.360 nan 0.000 0.458 475 T N 1.535 116.105 114.554 0.027 0.000 2.708 475 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 475 T C 2.109 176.827 174.700 0.030 0.000 1.037 475 T CA 1.424 63.540 62.100 0.028 0.000 1.146 475 T CB -0.225 68.657 68.868 0.023 0.000 0.865 475 T HN 0.179 nan 8.240 nan 0.000 0.435 476 I N 1.403 121.991 120.570 0.031 0.000 2.163 476 I HA -0.234 3.936 4.170 -0.001 0.000 0.243 476 I C 2.936 179.078 176.117 0.043 0.000 1.085 476 I CA 1.261 62.584 61.300 0.038 0.000 1.347 476 I CB -0.518 37.511 38.000 0.048 0.000 1.044 476 I HN 0.209 nan 8.210 nan 0.000 0.408 477 A N 0.740 123.586 122.820 0.044 0.000 1.883 477 A HA -0.276 4.043 4.320 -0.001 0.000 0.217 477 A C 2.421 180.027 177.584 0.036 0.000 1.186 477 A CA 2.091 54.154 52.037 0.043 0.000 0.624 477 A CB -0.718 18.307 19.000 0.043 0.000 0.822 477 A HN 0.382 nan 8.150 nan 0.000 0.444 478 R N -0.371 120.149 120.500 0.032 0.000 2.081 478 R HA -0.028 4.312 4.340 -0.001 0.000 0.235 478 R C 1.620 177.935 176.300 0.025 0.000 1.131 478 R CA 1.571 57.688 56.100 0.027 0.000 0.960 478 R CB -0.360 29.956 30.300 0.027 0.000 0.856 478 R HN 0.509 nan 8.270 nan 0.000 0.436 479 L N 0.561 121.800 121.223 0.026 0.000 2.554 479 L HA 0.050 4.389 4.340 -0.001 0.000 0.226 479 L C 0.414 177.300 176.870 0.027 0.000 1.137 479 L CA 0.033 54.887 54.840 0.023 0.000 0.863 479 L CB -0.369 41.707 42.059 0.027 0.000 0.985 479 L HN 0.337 nan 8.230 nan 0.000 0.451 480 N N 1.120 119.839 118.700 0.032 0.000 2.714 480 N HA -0.217 4.522 4.740 -0.001 0.000 0.252 480 N C -0.566 174.968 175.510 0.040 0.000 1.014 480 N CA 0.456 53.528 53.050 0.036 0.000 0.735 480 N CB -1.190 37.315 38.487 0.030 0.000 0.924 480 N HN 0.267 nan 8.380 nan 0.000 0.540 481 L N 0.711 121.960 121.223 0.044 0.000 2.278 481 L HA 0.329 4.668 4.340 -0.001 0.000 0.287 481 L C -1.304 175.603 176.870 0.062 0.000 1.072 481 L CA -1.632 53.237 54.840 0.048 0.000 0.819 481 L CB 0.956 43.042 42.059 0.044 0.000 1.176 481 L HN 0.080 nan 8.230 nan 0.000 0.435 482 P HA 0.100 nan 4.420 nan 0.000 0.237 482 P C 0.043 177.411 177.300 0.113 0.000 1.723 482 P CA 0.012 63.162 63.100 0.084 0.000 0.882 482 P CB -0.332 31.411 31.700 0.072 0.000 1.810 483 I N 0.158 120.793 120.570 0.109 0.000 2.556 483 I HA 0.025 4.194 4.170 -0.001 0.000 0.284 483 I C 0.655 176.849 176.117 0.127 0.000 1.114 483 I CA -0.278 61.099 61.300 0.129 0.000 1.418 483 I CB 0.953 39.010 38.000 0.095 0.000 1.394 483 I HN -0.162 nan 8.210 nan 0.000 0.552 484 V N 5.887 125.886 119.914 0.141 0.000 2.350 484 V HA 0.242 4.361 4.120 -0.001 0.000 0.276 484 V C 0.220 176.275 176.094 -0.065 0.000 1.028 484 V CA -0.389 61.915 62.300 0.006 0.000 0.860 484 V CB 1.057 32.742 31.823 -0.229 0.000 0.990 484 V HN 0.728 nan 8.190 nan 0.000 0.453 485 T N 4.831 119.326 114.554 -0.098 0.000 2.794 485 T HA 0.535 4.884 4.350 -0.001 0.000 0.280 485 T C -0.234 174.302 174.700 -0.273 0.000 0.987 485 T CA -0.336 61.671 62.100 -0.155 0.000 0.993 485 T CB 1.607 70.386 68.868 -0.148 0.000 0.939 485 T HN 0.332 nan 8.240 nan 0.000 0.449 486 V N 4.291 124.040 119.914 -0.276 0.000 2.357 486 V HA 0.350 4.469 4.120 -0.001 0.000 0.284 486 V C -0.084 175.740 176.094 -0.450 0.000 1.018 486 V CA -0.776 61.330 62.300 -0.323 0.000 0.841 486 V CB 1.572 33.257 31.823 -0.229 0.000 0.991 486 V HN 0.698 nan 8.190 nan 0.000 0.437 487 V N 6.225 125.797 119.914 -0.570 0.000 2.348 487 V HA 0.287 4.407 4.120 -0.001 0.000 0.270 487 V C 0.141 175.916 176.094 -0.532 0.000 1.037 487 V CA -0.580 61.279 62.300 -0.735 0.000 0.872 487 V CB 1.687 32.842 31.823 -1.113 0.000 1.002 487 V HN 0.731 nan 8.190 nan 0.000 0.464 488 V N 2.530 122.141 119.914 -0.505 0.000 2.368 488 V HA 0.568 4.688 4.120 -0.001 0.000 0.266 488 V C -0.050 175.874 176.094 -0.283 0.000 1.045 488 V CA -0.410 61.670 62.300 -0.365 0.000 0.899 488 V CB 1.096 32.714 31.823 -0.340 0.000 1.006 488 V HN 0.751 nan 8.190 nan 0.000 0.470 489 N N 4.800 123.381 118.700 -0.197 0.000 2.417 489 N HA 0.423 5.162 4.740 -0.001 0.000 0.274 489 N C 0.055 175.544 175.510 -0.034 0.000 0.987 489 N CA -0.455 52.553 53.050 -0.071 0.000 0.912 489 N CB 1.674 40.169 38.487 0.014 0.000 1.177 489 N HN 0.907 nan 8.380 nan 0.000 0.490 490 N N 2.130 120.857 118.700 0.045 0.000 2.240 490 N HA 0.071 4.811 4.740 -0.001 0.000 0.240 490 N C -1.083 174.505 175.510 0.131 0.000 1.277 490 N CA -0.197 52.878 53.050 0.041 0.000 0.873 490 N CB 0.068 38.538 38.487 -0.028 0.000 1.222 490 N HN 0.419 nan 8.380 nan 0.000 0.507 491 D N 0.099 120.623 120.400 0.208 0.000 2.751 491 D HA -0.137 4.503 4.640 -0.001 0.000 0.233 491 D C -0.917 175.570 176.300 0.311 0.000 1.149 491 D CA 1.309 55.483 54.000 0.289 0.000 0.682 491 D CB -1.728 39.176 40.800 0.172 0.000 1.068 491 D HN 0.490 nan 8.370 nan 0.000 0.429 492 T N -0.099 114.668 114.554 0.355 0.000 2.942 492 T HA 0.225 4.574 4.350 -0.001 0.000 0.327 492 T C -0.144 174.739 174.700 0.306 0.000 1.360 492 T CA -0.858 61.332 62.100 0.149 0.000 1.055 492 T CB 1.438 70.398 68.868 0.154 0.000 1.261 492 T HN -0.173 nan 8.240 nan 0.000 0.485 493 N N 1.821 120.596 118.700 0.126 0.000 2.671 493 N HA 0.214 4.953 4.740 -0.001 0.000 0.274 493 N C 1.453 177.100 175.510 0.227 0.000 1.188 493 N CA 0.007 53.222 53.050 0.274 0.000 1.065 493 N CB 0.681 39.288 38.487 0.201 0.000 1.415 493 N HN 0.879 nan 8.380 nan 0.000 0.511 494 G N 1.255 110.257 108.800 0.337 0.000 2.459 494 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 494 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 494 G C 1.468 176.429 174.900 0.103 0.000 1.183 494 G CA 0.333 45.655 45.100 0.370 0.000 0.776 494 G HN 0.471 nan 8.290 nan 0.000 0.552 495 L N 0.802 122.055 121.223 0.050 0.000 2.081 495 L HA -0.090 4.249 4.340 -0.001 0.000 0.212 495 L C 2.515 179.337 176.870 -0.080 0.000 1.080 495 L CA 1.392 56.146 54.840 -0.144 0.000 0.754 495 L CB -0.319 41.772 42.059 0.053 0.000 0.893 495 L HN 0.139 nan 8.230 nan 0.000 0.433 496 I N -0.610 119.990 120.570 0.050 0.000 2.353 496 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 496 I C 2.490 178.611 176.117 0.007 0.000 1.119 496 I CA 1.128 62.473 61.300 0.075 0.000 1.417 496 I CB -1.419 36.614 38.000 0.055 0.000 1.078 496 I HN 0.475 nan 8.210 nan 0.000 0.421 497 E N 0.908 121.093 120.200 -0.025 0.000 2.110 497 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 497 E C 2.273 178.723 176.600 -0.250 0.000 0.988 497 E CA 0.922 57.307 56.400 -0.026 0.000 0.804 497 E CB -0.011 29.772 29.700 0.139 0.000 0.745 497 E HN 0.289 nan 8.360 nan 0.000 0.458 498 L N 0.224 121.030 121.223 -0.694 0.000 2.012 498 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 498 L C 1.949 178.419 176.870 -0.666 0.000 1.073 498 L CA 1.826 55.955 54.840 -1.186 0.000 0.748 498 L CB -0.776 40.225 42.059 -1.764 0.000 0.891 498 L HN 0.198 nan 8.230 nan 0.000 0.431 499 Y N 0.110 120.175 120.300 -0.392 0.000 2.224 499 Y HA -0.266 4.284 4.550 -0.001 0.000 0.289 499 Y C 2.734 178.564 175.900 -0.117 0.000 1.146 499 Y CA 1.889 59.850 58.100 -0.230 0.000 1.182 499 Y CB -0.519 37.845 38.460 -0.161 0.000 0.983 499 Y HN 0.376 nan 8.280 nan 0.000 0.524 500 Q N -0.175 119.672 119.800 0.079 0.000 2.061 500 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 500 Q C 1.978 178.055 176.000 0.128 0.000 0.984 500 Q CA 1.547 57.440 55.803 0.150 0.000 0.846 500 Q CB -0.290 28.499 28.738 0.085 0.000 0.902 500 Q HN 0.563 nan 8.270 nan 0.000 0.421 501 N N 0.455 119.165 118.700 0.017 0.000 2.188 501 N HA -0.098 4.641 4.740 -0.001 0.000 0.184 501 N C 1.928 177.454 175.510 0.026 0.000 1.018 501 N CA 0.960 54.037 53.050 0.045 0.000 0.858 501 N CB -0.080 38.430 38.487 0.037 0.000 0.989 501 N HN 0.251 nan 8.380 nan 0.000 0.426 502 I N 0.751 121.272 120.570 -0.082 0.000 2.163 502 I HA -0.187 3.983 4.170 -0.001 0.000 0.243 502 I C 2.450 178.482 176.117 -0.141 0.000 1.085 502 I CA 1.418 62.667 61.300 -0.085 0.000 1.347 502 I CB -0.483 37.409 38.000 -0.180 0.000 1.044 502 I HN 0.148 nan 8.210 nan 0.000 0.408 503 G N -1.111 107.582 108.800 -0.177 0.000 2.453 503 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.215 503 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.215 503 G C 1.350 175.834 174.900 -0.694 0.000 1.147 503 G CA 0.332 45.179 45.100 -0.422 0.000 0.802 503 G HN 0.433 nan 8.290 nan 0.000 0.535 504 H N -1.569 117.371 119.070 -0.216 0.000 3.360 504 H HA 0.159 4.714 4.556 -0.001 0.000 0.262 504 H C 0.373 175.620 175.328 -0.134 0.000 1.149 504 H CA 0.166 56.102 56.048 -0.187 0.000 1.181 504 H CB 0.593 30.308 29.762 -0.078 0.000 1.564 504 H HN 0.603 nan 8.280 nan 0.000 0.565 505 H N 0.776 119.902 119.070 0.093 0.000 2.958 505 H HA -0.181 4.374 4.556 -0.001 0.000 0.274 505 H C 0.261 175.641 175.328 0.086 0.000 1.184 505 H CA 0.866 56.957 56.048 0.072 0.000 1.143 505 H CB -0.814 28.979 29.762 0.052 0.000 1.297 505 H HN 0.498 nan 8.280 nan 0.000 0.356 506 R N -1.397 119.217 120.500 0.191 0.000 2.712 506 R HA 0.660 4.999 4.340 -0.001 0.000 0.272 506 R C -1.358 175.015 176.300 0.121 0.000 1.032 506 R CA -0.783 55.403 56.100 0.143 0.000 0.874 506 R CB 1.204 31.575 30.300 0.119 0.000 1.256 506 R HN -0.016 nan 8.270 nan 0.000 0.468 507 S N -0.143 115.623 115.700 0.110 0.000 2.672 507 S HA 0.330 4.799 4.470 -0.001 0.000 0.276 507 S C -0.957 173.715 174.600 0.121 0.000 1.207 507 S CA -0.488 57.773 58.200 0.101 0.000 1.002 507 S CB 0.677 63.934 63.200 0.096 0.000 0.998 507 S HN 0.646 nan 8.310 nan 0.000 0.542 508 H N 0.421 119.477 119.070 -0.023 0.000 3.092 508 H HA 0.337 4.893 4.556 -0.001 0.000 0.308 508 H C -0.235 175.071 175.328 -0.036 0.000 1.047 508 H CA -0.594 55.430 56.048 -0.041 0.000 1.466 508 H CB 0.242 29.956 29.762 -0.080 0.000 1.597 508 H HN 0.435 nan 8.280 nan 0.000 0.512 509 D N 4.679 124.914 120.400 -0.275 0.000 2.123 509 D HA -0.117 4.523 4.640 -0.001 0.000 0.196 509 D C -0.786 175.338 176.300 -0.293 0.000 0.992 509 D CA 0.946 54.809 54.000 -0.228 0.000 0.833 509 D CB -0.860 39.849 40.800 -0.151 0.000 0.954 509 D HN 0.541 nan 8.370 nan 0.000 0.455 510 P HA -0.078 nan 4.420 nan 0.000 0.220 510 P C 0.756 177.961 177.300 -0.159 0.000 1.144 510 P CA 1.509 64.435 63.100 -0.289 0.000 0.800 510 P CB 0.038 31.543 31.700 -0.325 0.000 0.772 511 A N -1.421 121.317 122.820 -0.135 0.000 2.267 511 A HA 0.151 4.471 4.320 -0.001 0.000 0.213 511 A C 1.649 179.182 177.584 -0.086 0.000 1.192 511 A CA 0.967 52.982 52.037 -0.037 0.000 0.851 511 A CB -0.413 18.621 19.000 0.056 0.000 0.881 511 A HN 0.189 nan 8.150 nan 0.000 0.494 512 V N -5.722 114.094 119.914 -0.164 0.000 3.332 512 V HA 0.339 4.459 4.120 -0.001 0.000 0.263 512 V C -0.075 175.733 176.094 -0.477 0.000 1.562 512 V CA -0.316 61.845 62.300 -0.232 0.000 1.040 512 V CB -0.121 31.647 31.823 -0.093 0.000 0.857 512 V HN 0.060 nan 8.190 nan 0.000 0.428 513 K N 1.693 121.855 120.400 -0.395 0.000 2.183 513 K HA 0.619 4.939 4.320 -0.001 0.000 0.274 513 K C -1.197 175.167 176.600 -0.392 0.000 1.009 513 K CA -0.227 55.846 56.287 -0.357 0.000 0.888 513 K CB 1.616 34.029 32.500 -0.146 0.000 1.078 513 K HN 0.300 nan 8.250 nan 0.000 0.459 514 F N -0.430 119.563 119.950 0.071 0.000 2.509 514 F HA 0.487 5.014 4.527 -0.001 0.000 0.334 514 F C 1.449 177.272 175.800 0.039 0.000 1.060 514 F CA -0.751 57.288 58.000 0.065 0.000 0.997 514 F CB 0.567 39.625 39.000 0.097 0.000 1.271 514 F HN 0.554 nan 8.300 nan 0.000 0.488 515 G N -0.689 108.261 108.800 0.249 0.000 2.525 515 G HA2 0.470 4.429 3.960 -0.001 0.000 0.287 515 G HA3 0.470 4.429 3.960 -0.001 0.000 0.287 515 G C -0.222 174.729 174.900 0.085 0.000 1.350 515 G CA -0.594 44.578 45.100 0.120 0.000 1.039 515 G HN 0.876 nan 8.290 nan 0.000 0.513 516 G N -1.598 107.211 108.800 0.014 0.000 2.380 516 G HA2 0.449 4.408 3.960 -0.001 0.000 0.262 516 G HA3 0.449 4.408 3.960 -0.001 0.000 0.262 516 G C -0.741 174.071 174.900 -0.146 0.000 1.243 516 G CA -0.074 45.000 45.100 -0.044 0.000 0.865 516 G HN 0.564 nan 8.290 nan 0.000 0.513 517 V N 2.992 122.735 119.914 -0.285 0.000 2.487 517 V HA 0.230 4.349 4.120 -0.001 0.000 0.298 517 V C -0.693 175.009 176.094 -0.653 0.000 1.028 517 V CA -0.916 61.022 62.300 -0.604 0.000 0.860 517 V CB 1.953 33.090 31.823 -1.144 0.000 0.991 517 V HN 0.768 nan 8.190 nan 0.000 0.427 518 D N 3.413 123.519 120.400 -0.490 0.000 2.441 518 D HA 0.267 4.907 4.640 -0.001 0.000 0.221 518 D C 0.502 176.585 176.300 -0.362 0.000 1.156 518 D CA -0.186 53.620 54.000 -0.323 0.000 0.896 518 D CB 0.705 41.397 40.800 -0.181 0.000 1.028 518 D HN 0.361 nan 8.370 nan 0.000 0.509 519 F N 2.176 122.036 119.950 -0.149 0.000 2.456 519 F HA -0.099 4.427 4.527 -0.001 0.000 0.298 519 F C 2.317 178.031 175.800 -0.143 0.000 1.104 519 F CA 0.145 58.054 58.000 -0.150 0.000 1.435 519 F CB -0.154 38.717 39.000 -0.214 0.000 1.078 519 F HN 0.276 nan 8.300 nan 0.000 0.546 520 V N 0.086 119.998 119.914 -0.002 0.000 2.261 520 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 520 V C 2.633 178.696 176.094 -0.052 0.000 1.047 520 V CA 1.906 64.167 62.300 -0.065 0.000 1.015 520 V CB -1.363 30.411 31.823 -0.080 0.000 0.642 520 V HN 0.339 nan 8.190 nan 0.000 0.446 521 A N -0.427 122.358 122.820 -0.059 0.000 1.902 521 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 521 A C 2.188 179.749 177.584 -0.037 0.000 1.181 521 A CA 2.107 54.113 52.037 -0.053 0.000 0.623 521 A CB -0.612 18.346 19.000 -0.070 0.000 0.818 521 A HN 0.441 nan 8.150 nan 0.000 0.443 522 L N -0.330 120.867 121.223 -0.043 0.000 2.012 522 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 522 L C 2.829 179.735 176.870 0.060 0.000 1.073 522 L CA 2.162 57.007 54.840 0.009 0.000 0.748 522 L CB -0.594 41.481 42.059 0.027 0.000 0.891 522 L HN 0.368 nan 8.230 nan 0.000 0.431 523 A N -1.094 121.766 122.820 0.068 0.000 1.902 523 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 523 A C 2.185 179.784 177.584 0.026 0.000 1.181 523 A CA 1.901 53.971 52.037 0.056 0.000 0.623 523 A CB -0.630 18.371 19.000 0.001 0.000 0.818 523 A HN 0.585 nan 8.150 nan 0.000 0.443 524 E N -0.380 119.823 120.200 0.004 0.000 2.106 524 E HA -0.075 4.274 4.350 -0.001 0.000 0.192 524 E C 2.250 178.859 176.600 0.014 0.000 0.984 524 E CA 0.823 57.228 56.400 0.007 0.000 0.806 524 E CB -0.277 29.421 29.700 -0.003 0.000 0.750 524 E HN 0.619 nan 8.360 nan 0.000 0.458 525 A N 1.461 124.288 122.820 0.012 0.000 2.024 525 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 525 A C 1.735 179.333 177.584 0.023 0.000 1.164 525 A CA 1.216 53.261 52.037 0.014 0.000 0.643 525 A CB -0.271 18.735 19.000 0.010 0.000 0.806 525 A HN 0.164 nan 8.150 nan 0.000 0.451 526 N N -1.096 117.624 118.700 0.032 0.000 2.336 526 N HA 0.132 4.871 4.740 -0.001 0.000 0.189 526 N C 0.963 176.495 175.510 0.036 0.000 1.113 526 N CA 0.868 53.941 53.050 0.037 0.000 0.858 526 N CB 0.444 38.961 38.487 0.051 0.000 0.970 526 N HN 0.617 nan 8.380 nan 0.000 0.471 527 G N 0.598 109.418 108.800 0.033 0.000 2.132 527 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.228 527 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.228 527 G C -0.243 174.684 174.900 0.045 0.000 1.000 527 G CA -0.118 45.003 45.100 0.035 0.000 0.693 527 G HN 0.150 nan 8.290 nan 0.000 0.515 528 V N 1.438 121.379 119.914 0.044 0.000 2.384 528 V HA 0.387 4.507 4.120 -0.001 0.000 0.287 528 V C 0.038 176.156 176.094 0.040 0.000 1.020 528 V CA -1.260 61.071 62.300 0.052 0.000 0.850 528 V CB 1.615 33.465 31.823 0.045 0.000 0.987 528 V HN 0.263 nan 8.190 nan 0.000 0.436 529 D N 3.739 124.199 120.400 0.100 0.000 2.443 529 D HA 0.523 5.162 4.640 -0.001 0.000 0.239 529 D C 0.179 176.436 176.300 -0.073 0.000 1.136 529 D CA 0.597 54.680 54.000 0.138 0.000 0.879 529 D CB 1.629 42.618 40.800 0.315 0.000 1.195 529 D HN 0.814 nan 8.370 nan 0.000 0.443 530 A N 1.185 123.893 122.820 -0.187 0.000 2.606 530 A HA 0.685 5.005 4.320 -0.001 0.000 0.293 530 A C -0.538 176.846 177.584 -0.334 0.000 1.082 530 A CA -0.605 51.108 52.037 -0.539 0.000 0.685 530 A CB 2.393 21.202 19.000 -0.318 0.000 1.284 530 A HN 0.419 nan 8.150 nan 0.000 0.408 531 T N -0.451 113.859 114.554 -0.408 0.000 2.843 531 T HA 0.625 4.974 4.350 -0.001 0.000 0.302 531 T C -1.161 173.447 174.700 -0.153 0.000 1.232 531 T CA -0.551 61.462 62.100 -0.146 0.000 1.009 531 T CB 1.428 70.321 68.868 0.042 0.000 1.254 531 T HN 0.841 nan 8.240 nan 0.000 0.504 532 R N 1.285 121.734 120.500 -0.085 0.000 2.393 532 R HA 0.791 5.130 4.340 -0.001 0.000 0.310 532 R C -1.217 175.046 176.300 -0.062 0.000 0.968 532 R CA -0.542 55.509 56.100 -0.083 0.000 0.867 532 R CB 1.142 31.404 30.300 -0.063 0.000 1.124 532 R HN 0.687 nan 8.270 nan 0.000 0.450 533 A N 2.189 124.964 122.820 -0.075 0.000 2.356 533 A HA 0.358 4.677 4.320 -0.001 0.000 0.310 533 A C 0.235 177.779 177.584 -0.067 0.000 1.075 533 A CA -0.624 51.377 52.037 -0.060 0.000 0.746 533 A CB 1.584 20.549 19.000 -0.058 0.000 1.221 533 A HN 0.873 nan 8.150 nan 0.000 0.443 534 T N -1.536 112.986 114.554 -0.052 0.000 3.040 534 T HA 0.283 4.633 4.350 -0.001 0.000 0.266 534 T C 0.232 174.906 174.700 -0.043 0.000 1.005 534 T CA 0.418 62.488 62.100 -0.051 0.000 0.906 534 T CB -0.593 68.251 68.868 -0.040 0.000 1.082 534 T HN 0.887 nan 8.240 nan 0.000 0.531 535 N N -0.258 118.418 118.700 -0.040 0.000 2.934 535 N HA 0.412 5.152 4.740 -0.001 0.000 0.253 535 N C 0.369 175.859 175.510 -0.033 0.000 1.466 535 N CA -1.166 51.865 53.050 -0.032 0.000 0.858 535 N CB 0.952 39.424 38.487 -0.025 0.000 1.459 535 N HN -0.180 nan 8.380 nan 0.000 0.532 536 R N -0.201 120.283 120.500 -0.027 0.000 2.091 536 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 536 R C 1.403 177.693 176.300 -0.018 0.000 1.136 536 R CA 1.800 57.886 56.100 -0.023 0.000 0.959 536 R CB -0.242 30.047 30.300 -0.017 0.000 0.856 536 R HN 0.774 nan 8.270 nan 0.000 0.437 537 E N 1.084 121.273 120.200 -0.017 0.000 2.051 537 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 537 E C 1.692 178.284 176.600 -0.013 0.000 0.991 537 E CA 1.389 57.781 56.400 -0.013 0.000 0.799 537 E CB 0.130 29.821 29.700 -0.014 0.000 0.748 537 E HN 0.378 nan 8.360 nan 0.000 0.449 538 E N 0.134 120.324 120.200 -0.016 0.000 2.110 538 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 538 E C 2.136 178.727 176.600 -0.015 0.000 0.988 538 E CA 0.741 57.132 56.400 -0.014 0.000 0.804 538 E CB -0.052 29.636 29.700 -0.020 0.000 0.745 538 E HN 0.193 nan 8.360 nan 0.000 0.458 539 L N 0.913 122.120 121.223 -0.026 0.000 2.027 539 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 539 L C 2.044 178.902 176.870 -0.020 0.000 1.074 539 L CA 1.489 56.309 54.840 -0.033 0.000 0.745 539 L CB -0.411 41.619 42.059 -0.049 0.000 0.898 539 L HN 0.108 nan 8.230 nan 0.000 0.433 540 L N -0.629 120.587 121.223 -0.010 0.000 2.042 540 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 540 L C 2.656 179.526 176.870 0.000 0.000 1.076 540 L CA 1.316 56.157 54.840 0.002 0.000 0.749 540 L CB -0.940 41.123 42.059 0.008 0.000 0.893 540 L HN 0.378 nan 8.230 nan 0.000 0.432 541 A N -0.076 122.743 122.820 -0.002 0.000 1.877 541 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 541 A C 2.534 180.117 177.584 -0.001 0.000 1.186 541 A CA 1.813 53.847 52.037 -0.005 0.000 0.620 541 A CB -0.785 18.213 19.000 -0.003 0.000 0.822 541 A HN 0.406 nan 8.150 nan 0.000 0.443 542 A N -0.398 122.439 122.820 0.029 0.000 1.902 542 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 542 A C 2.185 179.817 177.584 0.080 0.000 1.181 542 A CA 1.538 53.644 52.037 0.115 0.000 0.623 542 A CB -0.603 18.474 19.000 0.129 0.000 0.818 542 A HN 0.468 nan 8.150 nan 0.000 0.443 543 L N -1.149 120.069 121.223 -0.008 0.000 2.056 543 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 543 L C 2.864 179.695 176.870 -0.065 0.000 1.078 543 L CA 1.381 56.162 54.840 -0.097 0.000 0.749 543 L CB -0.406 41.579 42.059 -0.123 0.000 0.901 543 L HN 0.331 nan 8.230 nan 0.000 0.433 544 R N -0.085 120.401 120.500 -0.024 0.000 2.092 544 R HA -0.176 4.164 4.340 -0.001 0.000 0.231 544 R C 2.303 178.559 176.300 -0.073 0.000 1.119 544 R CA 1.201 57.294 56.100 -0.012 0.000 0.970 544 R CB -0.238 30.061 30.300 -0.002 0.000 0.864 544 R HN 0.271 nan 8.270 nan 0.000 0.440 545 K N 0.382 120.698 120.400 -0.140 0.000 2.026 545 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 545 K C 2.102 178.446 176.600 -0.425 0.000 1.048 545 K CA 1.730 57.848 56.287 -0.282 0.000 0.929 545 K CB -0.325 31.958 32.500 -0.363 0.000 0.713 545 K HN 0.236 nan 8.250 nan 0.000 0.439 546 G N 0.319 108.852 108.800 -0.446 0.000 2.418 546 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 546 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 546 G C 1.571 176.415 174.900 -0.095 0.000 1.158 546 G CA 0.914 45.823 45.100 -0.318 0.000 0.771 546 G HN 0.455 nan 8.290 nan 0.000 0.545 547 A N 0.470 123.280 122.820 -0.017 0.000 2.015 547 A HA 0.059 4.378 4.320 -0.001 0.000 0.219 547 A C 2.037 179.655 177.584 0.056 0.000 1.163 547 A CA 1.658 53.768 52.037 0.122 0.000 0.646 547 A CB -0.189 18.953 19.000 0.237 0.000 0.806 547 A HN 0.472 nan 8.150 nan 0.000 0.448 548 E N -1.188 119.001 120.200 -0.018 0.000 2.474 548 E HA 0.125 4.474 4.350 -0.001 0.000 0.195 548 E C 1.306 177.875 176.600 -0.051 0.000 1.039 548 E CA -0.268 56.116 56.400 -0.026 0.000 0.881 548 E CB 0.143 29.821 29.700 -0.037 0.000 0.970 548 E HN 0.447 nan 8.360 nan 0.000 0.486 549 L N 0.282 121.455 121.223 -0.083 0.000 2.156 549 L HA 0.061 4.401 4.340 -0.001 0.000 0.208 549 L C 1.491 178.339 176.870 -0.036 0.000 1.095 549 L CA 1.762 56.542 54.840 -0.100 0.000 0.770 549 L CB -0.250 41.702 42.059 -0.178 0.000 0.914 549 L HN 0.268 nan 8.230 nan 0.000 0.439 550 G N -0.126 108.671 108.800 -0.005 0.000 2.168 550 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.257 550 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.257 550 G C 0.487 175.401 174.900 0.024 0.000 0.997 550 G CA 0.619 45.727 45.100 0.013 0.000 0.708 550 G HN 0.439 nan 8.290 nan 0.000 0.520 551 R N -0.500 120.020 120.500 0.034 0.000 2.710 551 R HA 0.436 4.775 4.340 -0.001 0.000 0.270 551 R C -2.729 173.624 176.300 0.089 0.000 1.021 551 R CA -1.864 54.270 56.100 0.055 0.000 0.889 551 R CB 2.267 32.600 30.300 0.055 0.000 1.243 551 R HN 0.038 nan 8.270 nan 0.000 0.464 552 P HA 0.064 nan 4.420 nan 0.000 0.269 552 P C -1.041 176.391 177.300 0.221 0.000 1.217 552 P CA 0.261 63.438 63.100 0.130 0.000 0.783 552 P CB 0.534 32.292 31.700 0.096 0.000 0.898 553 F N 1.301 121.243 119.950 -0.014 0.000 2.608 553 F HA 0.544 5.070 4.527 -0.001 0.000 0.309 553 F C -1.605 174.155 175.800 -0.066 0.000 1.103 553 F CA -1.071 56.906 58.000 -0.039 0.000 0.954 553 F CB 1.516 40.481 39.000 -0.057 0.000 1.267 553 F HN 0.149 nan 8.300 nan 0.000 0.444 554 L N 6.321 127.173 121.223 -0.618 0.000 2.362 554 L HA 0.769 5.108 4.340 -0.001 0.000 0.271 554 L C -1.551 174.897 176.870 -0.703 0.000 1.002 554 L CA -0.481 54.052 54.840 -0.511 0.000 0.818 554 L CB 1.637 43.505 42.059 -0.318 0.000 1.298 554 L HN 0.571 nan 8.230 nan 0.000 0.420 555 I N 3.890 124.173 120.570 -0.478 0.000 2.447 555 I HA 0.369 4.538 4.170 -0.001 0.000 0.287 555 I C -0.593 175.331 176.117 -0.321 0.000 1.023 555 I CA -0.463 60.612 61.300 -0.375 0.000 1.083 555 I CB 1.888 39.735 38.000 -0.255 0.000 1.245 555 I HN 0.587 nan 8.210 nan 0.000 0.434 556 E N 5.997 126.044 120.200 -0.255 0.000 2.227 556 E HA 0.534 4.883 4.350 -0.001 0.000 0.282 556 E C -1.478 175.016 176.600 -0.175 0.000 1.015 556 E CA -0.549 55.720 56.400 -0.218 0.000 0.823 556 E CB 1.619 31.255 29.700 -0.107 0.000 1.081 556 E HN 0.385 nan 8.360 nan 0.000 0.396 557 V N 7.165 126.962 119.914 -0.196 0.000 2.443 557 V HA 0.341 4.461 4.120 -0.001 0.000 0.293 557 V C -2.262 173.738 176.094 -0.157 0.000 1.021 557 V CA -1.888 60.313 62.300 -0.164 0.000 0.848 557 V CB 1.504 33.219 31.823 -0.180 0.000 0.998 557 V HN 0.702 nan 8.190 nan 0.000 0.424 558 P HA 0.267 nan 4.420 nan 0.000 0.271 558 P C -0.625 176.577 177.300 -0.163 0.000 1.220 558 P CA 0.223 63.254 63.100 -0.116 0.000 0.768 558 P CB 1.507 33.158 31.700 -0.081 0.000 0.848 559 V N 0.699 120.487 119.914 -0.209 0.000 3.160 559 V HA 0.731 4.850 4.120 -0.001 0.000 0.310 559 V C -0.832 175.045 176.094 -0.362 0.000 1.181 559 V CA -0.880 61.230 62.300 -0.316 0.000 1.047 559 V CB 2.586 34.160 31.823 -0.414 0.000 1.068 559 V HN 0.447 nan 8.190 nan 0.000 0.441 560 N N -0.547 117.882 118.700 -0.453 0.000 2.525 560 N HA 0.559 5.299 4.740 -0.001 0.000 0.270 560 N C -0.868 174.332 175.510 -0.516 0.000 1.321 560 N CA -0.317 52.465 53.050 -0.447 0.000 0.797 560 N CB 2.320 40.664 38.487 -0.240 0.000 1.529 560 N HN 0.806 nan 8.380 nan 0.000 0.491 561 Y N 0.237 120.458 120.300 -0.132 0.000 2.472 561 Y HA 0.176 4.725 4.550 -0.001 0.000 0.288 561 Y C 0.115 175.912 175.900 -0.172 0.000 1.154 561 Y CA -0.029 58.025 58.100 -0.076 0.000 1.238 561 Y CB -0.033 38.460 38.460 0.055 0.000 1.287 561 Y HN 0.562 nan 8.280 nan 0.000 0.524 562 D N 0.805 121.035 120.400 -0.284 0.000 3.400 562 D HA -0.189 4.450 4.640 -0.001 0.000 0.226 562 D C -1.259 175.033 176.300 -0.014 0.000 1.152 562 D CA 0.261 54.136 54.000 -0.208 0.000 1.008 562 D CB -0.951 39.828 40.800 -0.035 0.000 0.866 562 D HN 0.067 nan 8.370 nan 0.000 0.402 563 F N -0.001 120.110 119.950 0.268 0.000 2.378 563 F HA 0.487 5.014 4.527 -0.001 0.000 0.325 563 F C 1.046 177.003 175.800 0.262 0.000 1.097 563 F CA -0.956 57.230 58.000 0.310 0.000 1.079 563 F CB 0.667 39.772 39.000 0.174 0.000 1.240 563 F HN 0.009 nan 8.300 nan 0.000 0.519 564 Q N 2.700 122.833 119.800 0.554 0.000 2.509 564 Q HA 0.232 4.572 4.340 -0.001 0.000 0.236 564 Q C -1.796 174.451 176.000 0.413 0.000 1.073 564 Q CA -1.861 54.161 55.803 0.364 0.000 0.867 564 Q CB 1.375 30.248 28.738 0.226 0.000 1.181 564 Q HN 0.402 nan 8.270 nan 0.000 0.526 565 P HA -0.196 nan 4.420 nan 0.000 0.218 565 P C 1.084 178.537 177.300 0.256 0.000 1.146 565 P CA 1.209 64.470 63.100 0.268 0.000 0.813 565 P CB 0.262 32.052 31.700 0.151 0.000 0.778 566 G N -0.058 108.844 108.800 0.169 0.000 2.509 566 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.218 566 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.218 566 G C 1.595 176.516 174.900 0.037 0.000 1.124 566 G CA 0.641 45.795 45.100 0.090 0.000 0.776 566 G HN 0.430 nan 8.290 nan 0.000 0.547 567 G N -0.335 108.458 108.800 -0.012 0.000 2.985 567 G HA2 0.233 4.193 3.960 -0.001 0.000 0.209 567 G HA3 0.233 4.193 3.960 -0.001 0.000 0.209 567 G C 0.456 175.079 174.900 -0.462 0.000 1.165 567 G CA -0.297 44.652 45.100 -0.252 0.000 0.776 567 G HN 0.328 nan 8.290 nan 0.000 0.541 568 F N 0.614 120.529 119.950 -0.059 0.000 2.772 568 F HA 0.303 4.829 4.527 -0.001 0.000 0.302 568 F C 2.099 177.812 175.800 -0.145 0.000 1.136 568 F CA -0.493 57.428 58.000 -0.131 0.000 1.322 568 F CB 0.785 39.661 39.000 -0.207 0.000 0.967 568 F HN 0.070 nan 8.300 nan 0.000 0.513 569 G N 0.336 109.133 108.800 -0.004 0.000 2.462 569 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.220 569 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.220 569 G C 1.867 176.738 174.900 -0.048 0.000 1.121 569 G CA 0.882 45.968 45.100 -0.024 0.000 0.758 569 G HN 0.431 nan 8.290 nan 0.000 0.559 570 A N 0.311 123.092 122.820 -0.065 0.000 2.178 570 A HA 0.177 4.496 4.320 -0.001 0.000 0.218 570 A C 2.219 179.744 177.584 -0.098 0.000 1.157 570 A CA 0.752 52.743 52.037 -0.076 0.000 0.689 570 A CB -0.227 18.731 19.000 -0.070 0.000 0.787 570 A HN 0.398 nan 8.150 nan 0.000 0.465 571 L N -0.353 120.800 121.223 -0.117 0.000 2.478 571 L HA 0.007 4.346 4.340 -0.001 0.000 0.223 571 L C 1.220 178.042 176.870 -0.079 0.000 1.140 571 L CA -0.254 54.498 54.840 -0.145 0.000 0.842 571 L CB -0.403 41.523 42.059 -0.221 0.000 0.953 571 L HN 0.193 nan 8.230 nan 0.000 0.452 572 S N 0.000 115.663 115.700 -0.062 0.000 2.498 572 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 572 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 572 S CB 0.000 63.173 63.200 -0.044 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517