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 1u8c_1_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDVDSPAE YSGPEGSYFG FAVDFFVPSA SSRMFLLVGA PKANTTQPGI DATA SEQUENCE VEGGQVLKcD WSSTRRcQPI EFDATGNRDY AKDDPLEFKS HQWFGASVRS DATA SEQUENCE KQDKILAcAP LYHWRTEMKQ EREPVGTcFL QDGTKTVEYA PcRSQDIDAD DATA SEQUENCE GQGFcQGGFS IDFTKADRVL LGGPGSFYWQ GQLISDQVAE IVSKYDPNVY DATA SEQUENCE SIKYNNQLAT RTAQAIFDDS YLGYSVAVGD FNGDGIDDFV SGVPRAARTL DATA SEQUENCE GMVYIYDGKN MSSLYNFTGE QMAAYFGFSV AATDINGDDY ADVFIGAPLF DATA SEQUENCE MDRGSDGKLQ EVGQVSVSLQ RASGDFQTTK LNGFEVFARF GSAIAPLGDL DATA SEQUENCE DQDGFNDIAI AAPYGGEDKK GIVYIFNGRS TGLNAVPSQI LEGQWAARSM DATA SEQUENCE PPSFGYSMKG ATDIDKNGYP DLIVGAFGVD RAILYRARPV ITVNAGLEVY DATA SEQUENCE PSILNQDNKT cSLPGTALKV ScFNVRFcLK ADGKGVLPRK LNFQVELLLD DATA SEQUENCE KLKQKGAIRR ALFLYSRSPS HSKNMTISRG GLMQcEELIA YLRDESEFRD DATA SEQUENCE KLTPITIFME YRLDYRTAAD TTGLQPILNQ FTPANISRQA HILLDcGEDN DATA SEQUENCE VcKPKLEVSV DSDQKKIYIG DDNPLTLIVK AQNQGEGAYE AELIVSIPLQ DATA SEQUENCE ADFIGVVRNN EALARLScAF KTENQTRQVV cDLGNPMKAG TQLLAGLRFS DATA SEQUENCE VHQQSEMDTS VKFDLQIQSS NLFDKVSPVV SHKVDLAVLA AVEIRGVSSP DATA SEQUENCE DHVFLPIPNW EHKENPETEE DVGPVVQHIY ELRNNGPSSF SKAMLHLQWP DATA SEQUENCE YKYNNNTLLY ILHYDIDGPM NcTSDMEINP LRIKISSLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXDIH TLGcGVAQcL KIVcQVGRLD RGKSAILYVK DATA SEQUENCE SLLWTETFMN KENQNHSYSL KSSASFNVIE FPYKNLPIED ITNSTLVTTN DATA SEQUENCE VTWGIQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.760 175.800 -0.066 0.000 0.967 1 F CA 0.000 57.963 58.000 -0.062 0.000 1.383 1 F CB 0.000 38.930 39.000 -0.117 0.000 1.145 2 N N 2.519 120.999 118.700 -0.367 0.000 2.976 2 N HA 0.440 5.181 4.740 0.002 0.000 0.249 2 N C -1.732 173.656 175.510 -0.203 0.000 1.258 2 N CA -0.159 52.758 53.050 -0.223 0.000 0.864 2 N CB 2.270 40.645 38.487 -0.186 0.000 1.551 2 N HN 0.208 nan 8.380 nan 0.000 0.607 3 L N 0.540 121.714 121.223 -0.083 0.000 2.325 3 L HA 0.482 4.823 4.340 0.002 0.000 0.278 3 L C 0.825 177.730 176.870 0.058 0.000 1.023 3 L CA -0.969 53.865 54.840 -0.010 0.000 0.811 3 L CB 1.521 43.599 42.059 0.032 0.000 1.249 3 L HN 0.369 nan 8.230 nan 0.000 0.431 4 D N 1.940 122.390 120.400 0.085 0.000 2.423 4 D HA 0.056 4.697 4.640 0.002 0.000 0.238 4 D C 0.143 176.563 176.300 0.199 0.000 1.142 4 D CA 0.070 54.131 54.000 0.103 0.000 0.884 4 D CB 1.792 42.645 40.800 0.088 0.000 1.199 4 D HN 0.324 nan 8.370 nan 0.000 0.438 5 V N 1.592 121.600 119.914 0.156 0.000 3.432 5 V HA 0.001 4.122 4.120 0.002 0.000 0.290 5 V C 1.175 177.330 176.094 0.101 0.000 1.591 5 V CA -0.379 62.047 62.300 0.211 0.000 1.069 5 V CB 0.556 32.491 31.823 0.187 0.000 0.892 5 V HN 0.406 nan 8.190 nan 0.000 0.436 6 D N 1.555 121.992 120.400 0.061 0.000 2.096 6 D HA -0.045 4.597 4.640 0.002 0.000 0.200 6 D C 1.299 177.608 176.300 0.014 0.000 0.980 6 D CA 1.865 55.879 54.000 0.025 0.000 0.860 6 D CB -0.005 40.809 40.800 0.023 0.000 1.005 6 D HN 0.386 nan 8.370 nan 0.000 0.449 7 S N 1.294 117.007 115.700 0.022 0.000 2.601 7 S HA 0.421 4.892 4.470 0.002 0.000 0.312 7 S C -2.724 171.885 174.600 0.016 0.000 1.107 7 S CA -1.242 56.965 58.200 0.011 0.000 1.129 7 S CB 1.063 64.271 63.200 0.013 0.000 0.982 7 S HN -0.067 nan 8.310 nan 0.000 0.469 8 P HA 0.515 nan 4.420 nan 0.000 0.295 8 P C -1.117 176.169 177.300 -0.023 0.000 1.319 8 P CA -0.774 62.278 63.100 -0.081 0.000 0.940 8 P CB 1.582 33.075 31.700 -0.344 0.000 1.192 9 A N 1.900 124.749 122.820 0.048 0.000 2.492 9 A HA 0.221 4.543 4.320 0.002 0.000 0.254 9 A C 0.452 178.086 177.584 0.084 0.000 1.091 9 A CA 0.039 52.131 52.037 0.092 0.000 0.768 9 A CB -0.300 18.885 19.000 0.308 0.000 1.028 9 A HN 0.569 nan 8.150 nan 0.000 0.498 10 E N 3.736 123.917 120.200 -0.032 0.000 2.114 10 E HA 0.413 4.765 4.350 0.002 0.000 0.266 10 E C -1.773 174.755 176.600 -0.120 0.000 0.896 10 E CA -0.302 56.139 56.400 0.067 0.000 0.750 10 E CB 0.553 30.373 29.700 0.200 0.000 1.121 10 E HN 0.540 nan 8.360 nan 0.000 0.413 11 Y N 1.253 121.612 120.300 0.099 0.000 2.496 11 Y HA 0.436 4.987 4.550 0.002 0.000 0.331 11 Y C 0.838 176.698 175.900 -0.067 0.000 1.140 11 Y CA -0.379 57.765 58.100 0.073 0.000 1.166 11 Y CB 1.930 40.534 38.460 0.239 0.000 1.249 11 Y HN 0.560 nan 8.280 nan 0.000 0.479 12 S N -0.448 115.119 115.700 -0.222 0.000 2.732 12 S HA 0.987 5.459 4.470 0.002 0.000 0.293 12 S C -0.541 173.292 174.600 -1.277 0.000 1.159 12 S CA -0.543 57.309 58.200 -0.580 0.000 0.847 12 S CB 1.991 64.997 63.200 -0.323 0.000 1.169 12 S HN 1.083 nan 8.310 nan 0.000 0.501 13 G N -0.395 107.867 108.800 -0.897 0.000 2.684 13 G HA2 0.681 4.642 3.960 0.002 0.000 0.290 13 G HA3 0.681 4.642 3.960 0.002 0.000 0.290 13 G C -3.519 171.248 174.900 -0.222 0.000 1.425 13 G CA -1.444 43.251 45.100 -0.676 0.000 0.822 13 G HN 0.591 nan 8.290 nan 0.000 0.482 14 P HA 0.150 nan 4.420 nan 0.000 0.263 14 P C -0.443 176.848 177.300 -0.015 0.000 1.175 14 P CA 0.203 63.274 63.100 -0.048 0.000 0.761 14 P CB 0.338 32.024 31.700 -0.024 0.000 0.794 15 E N 2.224 122.416 120.200 -0.015 0.000 2.562 15 E HA 0.282 4.633 4.350 0.002 0.000 0.241 15 E C 1.447 178.061 176.600 0.024 0.000 1.136 15 E CA 1.131 57.536 56.400 0.009 0.000 0.952 15 E CB -1.088 28.615 29.700 0.005 0.000 0.975 15 E HN 0.728 nan 8.360 nan 0.000 0.494 16 G N 2.504 111.344 108.800 0.066 0.000 2.159 16 G HA2 -0.344 3.617 3.960 0.002 0.000 0.227 16 G HA3 -0.344 3.617 3.960 0.002 0.000 0.227 16 G C 1.013 175.892 174.900 -0.034 0.000 0.986 16 G CA 0.335 45.474 45.100 0.064 0.000 0.651 16 G HN 0.660 nan 8.290 nan 0.000 0.523 17 S N -0.778 114.933 115.700 0.019 0.000 2.562 17 S HA 0.230 4.701 4.470 0.002 0.000 0.221 17 S C 1.210 175.821 174.600 0.018 0.000 0.975 17 S CA 0.970 59.135 58.200 -0.057 0.000 0.918 17 S CB -0.468 62.742 63.200 0.018 0.000 0.772 17 S HN 1.312 nan 8.310 nan 0.000 0.531 18 Y N -0.602 119.717 120.300 0.032 0.000 4.272 18 Y HA -0.259 4.293 4.550 0.002 0.000 0.232 18 Y C 0.247 176.224 175.900 0.129 0.000 1.149 18 Y CA -0.254 57.906 58.100 0.100 0.000 1.961 18 Y CB -2.368 35.923 38.460 -0.283 0.000 1.611 18 Y HN 0.525 nan 8.280 nan 0.000 0.682 19 F N 1.750 121.795 119.950 0.159 0.000 2.602 19 F HA 0.317 4.845 4.527 0.002 0.000 0.385 19 F C 1.142 177.011 175.800 0.115 0.000 1.063 19 F CA 1.904 59.953 58.000 0.083 0.000 1.233 19 F CB 0.737 39.761 39.000 0.041 0.000 1.067 19 F HN 0.274 nan 8.300 nan 0.000 0.564 20 G N 5.058 113.587 108.800 -0.450 0.000 2.218 20 G HA2 -0.365 3.597 3.960 0.002 0.000 0.216 20 G HA3 -0.365 3.597 3.960 0.002 0.000 0.216 20 G C 0.783 175.657 174.900 -0.043 0.000 0.994 20 G CA 0.145 45.080 45.100 -0.276 0.000 0.637 20 G HN 0.756 nan 8.290 nan 0.000 0.505 21 F N 2.083 121.949 119.950 -0.139 0.000 2.202 21 F HA 0.407 4.936 4.527 0.002 0.000 0.301 21 F C 1.418 177.146 175.800 -0.120 0.000 1.082 21 F CA 2.276 60.167 58.000 -0.181 0.000 1.313 21 F CB 0.105 38.875 39.000 -0.384 0.000 1.024 21 F HN 0.599 nan 8.300 nan 0.000 0.495 22 A N -0.033 122.793 122.820 0.011 0.000 2.449 22 A HA 0.655 4.976 4.320 0.002 0.000 0.302 22 A C -1.106 176.375 177.584 -0.172 0.000 1.048 22 A CA 0.017 52.007 52.037 -0.079 0.000 0.708 22 A CB 1.372 20.364 19.000 -0.013 0.000 1.274 22 A HN 0.406 nan 8.150 nan 0.000 0.410 23 V N -1.116 118.690 119.914 -0.180 0.000 3.181 23 V HA 1.019 5.140 4.120 0.002 0.000 0.308 23 V C -1.341 174.647 176.094 -0.176 0.000 1.214 23 V CA -0.618 61.552 62.300 -0.217 0.000 1.053 23 V CB 2.123 33.790 31.823 -0.261 0.000 1.069 23 V HN 1.090 nan 8.190 nan 0.000 0.441 24 D N -0.233 120.045 120.400 -0.203 0.000 2.912 24 D HA 0.344 4.985 4.640 0.002 0.000 0.263 24 D C -1.771 174.457 176.300 -0.121 0.000 1.152 24 D CA -0.395 53.532 54.000 -0.122 0.000 0.728 24 D CB 1.386 42.193 40.800 0.012 0.000 1.337 24 D HN 0.529 nan 8.370 nan 0.000 0.435 25 F N 1.400 121.372 119.950 0.038 0.000 2.384 25 F HA 0.478 5.007 4.527 0.003 0.000 0.338 25 F C 0.390 176.291 175.800 0.168 0.000 1.103 25 F CA -0.573 57.467 58.000 0.067 0.000 1.157 25 F CB 0.962 39.968 39.000 0.009 0.000 1.167 25 F HN 0.129 nan 8.300 nan 0.000 0.529 26 F N 3.030 123.129 119.950 0.248 0.000 2.444 26 F HA 0.626 5.155 4.527 0.002 0.000 0.342 26 F C -0.884 175.026 175.800 0.183 0.000 1.121 26 F CA -0.731 57.364 58.000 0.160 0.000 0.997 26 F CB 1.043 40.111 39.000 0.115 0.000 1.130 26 F HN 0.084 nan 8.300 nan 0.000 0.454 27 V N 7.228 126.853 119.914 -0.482 0.000 2.546 27 V HA 0.195 4.316 4.120 0.002 0.000 0.260 27 V C -2.214 173.583 176.094 -0.496 0.000 0.933 27 V CA -1.217 60.858 62.300 -0.375 0.000 0.994 27 V CB 0.395 32.111 31.823 -0.178 0.000 1.160 27 V HN 0.607 nan 8.190 nan 0.000 0.523 28 P HA 0.049 nan 4.420 nan 0.000 0.265 28 P C 1.035 178.201 177.300 -0.223 0.000 1.193 28 P CA 0.444 63.251 63.100 -0.489 0.000 0.765 28 P CB 1.326 32.752 31.700 -0.457 0.000 0.823 29 S N 1.958 117.569 115.700 -0.148 0.000 2.522 29 S HA -0.009 4.462 4.470 0.002 0.000 0.227 29 S C 1.721 176.286 174.600 -0.058 0.000 0.986 29 S CA 0.509 58.654 58.200 -0.092 0.000 0.929 29 S CB -0.691 62.464 63.200 -0.075 0.000 0.769 29 S HN 0.518 nan 8.310 nan 0.000 0.529 30 A N 0.591 123.380 122.820 -0.053 0.000 2.235 30 A HA 0.483 4.805 4.320 0.002 0.000 0.208 30 A C 1.085 178.668 177.584 -0.002 0.000 1.172 30 A CA 0.490 52.515 52.037 -0.020 0.000 0.786 30 A CB -0.285 18.709 19.000 -0.009 0.000 0.804 30 A HN 0.563 nan 8.150 nan 0.000 0.479 31 S N -2.217 113.480 115.700 -0.005 0.000 2.638 31 S HA 0.441 4.913 4.470 0.002 0.000 0.274 31 S C 0.675 175.290 174.600 0.026 0.000 1.157 31 S CA 0.331 58.552 58.200 0.035 0.000 0.826 31 S CB 1.117 64.377 63.200 0.101 0.000 1.139 31 S HN 0.550 nan 8.310 nan 0.000 0.474 32 S N 0.791 116.519 115.700 0.047 0.000 2.511 32 S HA 0.226 4.697 4.470 0.002 0.000 0.214 32 S C 0.549 175.177 174.600 0.048 0.000 0.997 32 S CA -0.515 57.703 58.200 0.031 0.000 0.908 32 S CB -0.353 62.861 63.200 0.024 0.000 0.803 32 S HN 0.817 nan 8.310 nan 0.000 0.504 33 R N 0.779 121.333 120.500 0.089 0.000 2.255 33 R HA 0.679 5.020 4.340 0.002 0.000 0.326 33 R C -0.897 175.461 176.300 0.097 0.000 0.986 33 R CA -0.628 55.505 56.100 0.055 0.000 0.847 33 R CB 0.496 30.791 30.300 -0.009 0.000 1.111 33 R HN 0.070 nan 8.270 nan 0.000 0.452 34 M N 2.754 122.374 119.600 0.033 0.000 2.283 34 M HA 0.405 4.887 4.480 0.002 0.000 0.314 34 M C -0.766 175.571 176.300 0.063 0.000 1.153 34 M CA -0.063 55.329 55.300 0.154 0.000 1.084 34 M CB 0.719 33.355 32.600 0.061 0.000 1.468 34 M HN 0.512 nan 8.290 nan 0.000 0.474 35 F N 0.247 120.323 119.950 0.210 0.000 2.814 35 F HA 0.801 5.330 4.527 0.002 0.000 0.353 35 F C -0.964 174.953 175.800 0.195 0.000 1.177 35 F CA -1.262 56.884 58.000 0.244 0.000 1.036 35 F CB 0.903 40.079 39.000 0.294 0.000 1.455 35 F HN 0.377 nan 8.300 nan 0.000 0.520 36 L N 0.481 121.875 121.223 0.285 0.000 2.410 36 L HA 0.776 5.118 4.340 0.002 0.000 0.270 36 L C -1.799 175.065 176.870 -0.011 0.000 0.983 36 L CA -0.610 54.244 54.840 0.023 0.000 0.822 36 L CB 1.609 43.527 42.059 -0.235 0.000 1.285 36 L HN 0.423 nan 8.230 nan 0.000 0.409 37 L N 4.248 125.444 121.223 -0.046 0.000 2.289 37 L HA 0.780 5.122 4.340 0.002 0.000 0.285 37 L C -0.658 176.103 176.870 -0.182 0.000 1.049 37 L CA -0.843 53.952 54.840 -0.074 0.000 0.804 37 L CB 1.816 43.855 42.059 -0.033 0.000 1.195 37 L HN 0.529 nan 8.230 nan 0.000 0.428 38 V N 2.036 121.827 119.914 -0.205 0.000 2.488 38 V HA 0.429 4.550 4.120 0.002 0.000 0.293 38 V C 0.487 176.388 176.094 -0.321 0.000 1.027 38 V CA -0.715 61.355 62.300 -0.384 0.000 0.862 38 V CB 1.466 32.850 31.823 -0.732 0.000 1.008 38 V HN 0.859 nan 8.190 nan 0.000 0.428 39 G N 2.965 111.600 108.800 -0.274 0.000 2.442 39 G HA2 0.516 4.478 3.960 0.002 0.000 0.249 39 G HA3 0.516 4.478 3.960 0.002 0.000 0.249 39 G C 0.276 175.056 174.900 -0.200 0.000 1.263 39 G CA 0.255 45.216 45.100 -0.231 0.000 0.846 39 G HN 1.222 nan 8.290 nan 0.000 0.555 40 A N 4.591 127.324 122.820 -0.145 0.000 3.214 40 A HA 0.583 4.904 4.320 0.002 0.000 0.304 40 A C -0.620 176.847 177.584 -0.195 0.000 0.969 40 A CA -0.870 51.125 52.037 -0.070 0.000 0.986 40 A CB 0.739 19.785 19.000 0.077 0.000 1.073 40 A HN 0.499 nan 8.150 nan 0.000 0.487 41 P HA -0.273 nan 4.420 nan 0.000 0.227 41 P C 0.661 177.583 177.300 -0.630 0.000 1.154 41 P CA 1.637 64.412 63.100 -0.541 0.000 0.879 41 P CB 0.198 31.319 31.700 -0.966 0.000 0.779 42 K N -1.587 118.452 120.400 -0.601 0.000 2.414 42 K HA 0.363 4.684 4.320 0.002 0.000 0.204 42 K C 0.985 177.424 176.600 -0.268 0.000 1.026 42 K CA -0.354 55.605 56.287 -0.547 0.000 1.108 42 K CB 0.658 32.635 32.500 -0.871 0.000 0.855 42 K HN 0.084 nan 8.250 nan 0.000 0.517 43 A N 1.491 124.217 122.820 -0.157 0.000 2.433 43 A HA 0.095 4.417 4.320 0.002 0.000 0.250 43 A C 0.070 177.620 177.584 -0.056 0.000 1.113 43 A CA 0.107 52.104 52.037 -0.068 0.000 0.794 43 A CB 0.182 19.176 19.000 -0.010 0.000 1.067 43 A HN 0.191 nan 8.150 nan 0.000 0.510 44 N N -0.926 117.754 118.700 -0.034 0.000 2.370 44 N HA 0.673 5.415 4.740 0.002 0.000 0.303 44 N C -0.519 174.979 175.510 -0.019 0.000 1.103 44 N CA 0.049 53.080 53.050 -0.032 0.000 0.848 44 N CB 1.967 40.435 38.487 -0.032 0.000 1.235 44 N HN 0.847 nan 8.380 nan 0.000 0.496 45 T N -3.641 110.899 114.554 -0.023 0.000 2.901 45 T HA 0.347 4.699 4.350 0.002 0.000 0.293 45 T C 0.599 175.285 174.700 -0.025 0.000 1.084 45 T CA -0.735 61.353 62.100 -0.021 0.000 1.008 45 T CB 0.909 69.763 68.868 -0.025 0.000 1.170 45 T HN 0.380 nan 8.240 nan 0.000 0.509 46 T N -0.765 113.775 114.554 -0.024 0.000 3.439 46 T HA 0.115 4.466 4.350 0.002 0.000 0.251 46 T C 0.399 175.082 174.700 -0.028 0.000 1.108 46 T CA -0.096 61.990 62.100 -0.023 0.000 0.982 46 T CB -0.637 68.219 68.868 -0.021 0.000 1.024 46 T HN 0.605 nan 8.240 nan 0.000 0.573 47 Q N 2.286 122.066 119.800 -0.034 0.000 2.295 47 Q HA 0.215 4.557 4.340 0.002 0.000 0.259 47 Q C -2.521 173.463 176.000 -0.027 0.000 0.976 47 Q CA -2.321 53.460 55.803 -0.037 0.000 0.923 47 Q CB 0.639 29.347 28.738 -0.049 0.000 1.185 47 Q HN 0.159 nan 8.270 nan 0.000 0.410 48 P HA -0.147 nan 4.420 nan 0.000 0.251 48 P C 0.500 177.792 177.300 -0.014 0.000 1.154 48 P CA 1.279 64.370 63.100 -0.015 0.000 0.805 48 P CB -0.094 31.599 31.700 -0.011 0.000 0.759 49 G N 3.607 112.398 108.800 -0.015 0.000 2.166 49 G HA2 -0.253 3.708 3.960 0.002 0.000 0.260 49 G HA3 -0.253 3.708 3.960 0.002 0.000 0.260 49 G C 0.244 175.132 174.900 -0.021 0.000 0.986 49 G CA -0.462 44.630 45.100 -0.014 0.000 0.683 49 G HN 0.488 nan 8.290 nan 0.000 0.527 50 I N 1.465 122.019 120.570 -0.028 0.000 2.276 50 I HA 0.351 4.523 4.170 0.002 0.000 0.290 50 I C 0.795 176.872 176.117 -0.067 0.000 1.109 50 I CA -1.183 60.095 61.300 -0.036 0.000 1.229 50 I CB 0.644 38.630 38.000 -0.024 0.000 1.452 50 I HN 0.023 nan 8.210 nan 0.000 0.497 51 V N 6.952 126.796 119.914 -0.116 0.000 2.530 51 V HA 0.270 4.391 4.120 0.002 0.000 0.282 51 V C 0.694 176.643 176.094 -0.242 0.000 1.048 51 V CA -0.138 62.067 62.300 -0.159 0.000 0.997 51 V CB 0.514 32.233 31.823 -0.175 0.000 0.987 51 V HN 0.898 nan 8.190 nan 0.000 0.477 52 E N 3.747 123.866 120.200 -0.135 0.000 2.513 52 E HA -0.205 4.146 4.350 0.002 0.000 0.156 52 E C 0.997 177.572 176.600 -0.042 0.000 1.740 52 E CA 0.604 56.957 56.400 -0.078 0.000 0.646 52 E CB -0.928 28.793 29.700 0.035 0.000 1.080 52 E HN 1.077 nan 8.360 nan 0.000 0.345 53 G N 1.497 110.286 108.800 -0.018 0.000 2.762 53 G HA2 0.473 4.435 3.960 0.002 0.000 0.209 53 G HA3 0.473 4.435 3.960 0.002 0.000 0.209 53 G C 0.724 175.679 174.900 0.092 0.000 1.134 53 G CA 0.645 45.771 45.100 0.043 0.000 0.781 53 G HN 0.985 nan 8.290 nan 0.000 0.528 54 G N -0.462 108.360 108.800 0.037 0.000 2.690 54 G HA2 0.291 4.252 3.960 0.002 0.000 0.686 54 G HA3 0.291 4.252 3.960 0.002 0.000 0.686 54 G C -0.593 174.408 174.900 0.167 0.000 1.277 54 G CA -0.043 45.078 45.100 0.035 0.000 0.799 54 G HN 1.116 nan 8.290 nan 0.000 0.613 55 Q N -2.086 117.766 119.800 0.086 0.000 2.648 55 Q HA 0.785 5.126 4.340 0.002 0.000 0.300 55 Q C -1.424 174.583 176.000 0.012 0.000 0.954 55 Q CA -1.251 54.653 55.803 0.168 0.000 0.757 55 Q CB 2.313 31.134 28.738 0.139 0.000 1.482 55 Q HN 1.173 nan 8.270 nan 0.000 0.437 56 V N 1.664 121.644 119.914 0.111 0.000 2.443 56 V HA 0.395 4.516 4.120 0.002 0.000 0.293 56 V C -1.120 175.039 176.094 0.108 0.000 1.021 56 V CA -0.629 61.693 62.300 0.036 0.000 0.848 56 V CB 1.263 33.133 31.823 0.079 0.000 0.998 56 V HN 0.565 nan 8.190 nan 0.000 0.424 57 L N 4.492 125.761 121.223 0.076 0.000 2.307 57 L HA 0.537 4.878 4.340 0.002 0.000 0.282 57 L C 0.145 177.061 176.870 0.077 0.000 1.051 57 L CA -0.081 54.830 54.840 0.118 0.000 0.804 57 L CB 1.204 43.409 42.059 0.244 0.000 1.197 57 L HN 0.539 nan 8.230 nan 0.000 0.431 58 K N 2.561 123.001 120.400 0.066 0.000 2.253 58 K HA 0.469 4.790 4.320 0.002 0.000 0.277 58 K C -1.285 175.428 176.600 0.188 0.000 1.053 58 K CA -0.407 55.921 56.287 0.069 0.000 0.892 58 K CB 0.637 33.110 32.500 -0.045 0.000 1.102 58 K HN 0.655 nan 8.250 nan 0.000 0.469 59 c N 3.642 122.369 118.600 0.213 0.000 2.341 59 c HA 0.395 4.966 4.570 0.002 0.000 0.338 59 c C -0.191 174.127 174.090 0.381 0.000 1.257 59 c CA -0.990 55.491 56.329 0.253 0.000 1.883 59 c CB 0.534 43.036 42.510 -0.014 0.000 2.334 59 c HN 0.788 nan 8.230 nan 0.000 0.524 60 D N 0.328 120.964 120.400 0.393 0.000 2.253 60 D HA 0.173 4.814 4.640 0.002 0.000 0.249 60 D C -0.863 175.631 176.300 0.323 0.000 1.049 60 D CA -0.042 54.113 54.000 0.259 0.000 0.929 60 D CB 1.348 42.270 40.800 0.203 0.000 1.176 60 D HN 0.710 nan 8.370 nan 0.000 0.437 61 W N 2.031 123.309 121.300 -0.038 0.000 2.363 61 W HA 0.329 4.991 4.660 0.002 0.000 0.314 61 W C -0.705 175.805 176.519 -0.014 0.000 0.994 61 W CA -1.074 56.300 57.345 0.050 0.000 1.449 61 W CB 0.088 29.564 29.460 0.025 0.000 1.248 61 W HN 0.264 nan 8.180 nan 0.000 0.409 62 S N 3.531 118.999 115.700 -0.387 0.000 3.015 62 S HA 0.139 4.610 4.470 0.002 0.000 0.135 62 S C 0.287 174.718 174.600 -0.283 0.000 0.774 62 S CA -0.098 57.830 58.200 -0.454 0.000 0.845 62 S CB -0.105 62.931 63.200 -0.274 0.000 1.565 62 S HN 1.155 nan 8.310 nan 0.000 0.576 63 S N 1.581 117.100 115.700 -0.302 0.000 2.158 63 S HA -0.363 4.108 4.470 0.002 0.000 0.217 63 S C 1.743 176.264 174.600 -0.131 0.000 1.174 63 S CA 3.269 61.355 58.200 -0.190 0.000 1.743 63 S CB -2.251 60.852 63.200 -0.160 0.000 2.357 63 S HN 1.521 nan 8.310 nan 0.000 0.601 64 T N 3.266 117.759 114.554 -0.102 0.000 2.833 64 T HA -0.098 4.254 4.350 0.002 0.000 0.269 64 T C 1.149 175.820 174.700 -0.048 0.000 1.054 64 T CA 1.675 63.742 62.100 -0.055 0.000 1.135 64 T CB -0.718 68.139 68.868 -0.018 0.000 0.869 64 T HN 1.102 nan 8.240 nan 0.000 0.466 65 R N 1.475 121.943 120.500 -0.053 0.000 3.405 65 R HA -0.240 4.102 4.340 0.002 0.000 0.258 65 R C -0.214 176.119 176.300 0.055 0.000 1.030 65 R CA 0.573 56.610 56.100 -0.105 0.000 0.691 65 R CB -2.095 27.987 30.300 -0.362 0.000 1.093 65 R HN 0.498 nan 8.270 nan 0.000 0.448 66 R N 0.670 121.261 120.500 0.151 0.000 2.536 66 R HA 0.550 4.891 4.340 0.002 0.000 0.279 66 R C -1.062 175.387 176.300 0.248 0.000 1.001 66 R CA -0.058 56.136 56.100 0.156 0.000 1.027 66 R CB 1.441 31.804 30.300 0.104 0.000 1.096 66 R HN 0.395 nan 8.270 nan 0.000 0.502 67 c N 3.140 121.859 118.600 0.197 0.000 2.505 67 c HA 0.344 4.916 4.570 0.002 0.000 0.342 67 c C -1.357 172.815 174.090 0.137 0.000 1.121 67 c CA -0.968 55.487 56.329 0.210 0.000 1.306 67 c CB 1.253 43.924 42.510 0.268 0.000 1.897 67 c HN 0.795 nan 8.230 nan 0.000 0.446 68 Q N 3.878 123.750 119.800 0.120 0.000 2.322 68 Q HA 0.459 4.800 4.340 0.002 0.000 0.265 68 Q C -2.564 173.472 176.000 0.061 0.000 0.985 68 Q CA -1.767 54.081 55.803 0.074 0.000 0.849 68 Q CB 1.318 30.090 28.738 0.057 0.000 1.274 68 Q HN 0.501 nan 8.270 nan 0.000 0.449 69 P HA -0.051 nan 4.420 nan 0.000 0.262 69 P C -0.444 176.866 177.300 0.018 0.000 1.199 69 P CA 0.316 63.453 63.100 0.062 0.000 0.763 69 P CB 0.572 32.313 31.700 0.069 0.000 0.790 70 I N 4.131 124.705 120.570 0.007 0.000 2.668 70 I HA -0.066 4.106 4.170 0.002 0.000 0.285 70 I C 1.621 177.664 176.117 -0.124 0.000 1.168 70 I CA 0.262 61.483 61.300 -0.132 0.000 1.424 70 I CB 0.186 38.050 38.000 -0.227 0.000 1.377 70 I HN 0.382 nan 8.210 nan 0.000 0.560 71 E N 7.305 127.373 120.200 -0.219 0.000 1.932 71 E HA 0.058 4.409 4.350 0.002 0.000 0.275 71 E C -0.242 176.171 176.600 -0.312 0.000 1.159 71 E CA -0.068 56.223 56.400 -0.183 0.000 0.905 71 E CB 0.328 29.941 29.700 -0.145 0.000 1.059 71 E HN 0.532 nan 8.360 nan 0.000 0.400 72 F N 1.601 121.418 119.950 -0.222 0.000 2.374 72 F HA 0.080 4.609 4.527 0.002 0.000 0.291 72 F C 0.624 176.095 175.800 -0.548 0.000 1.084 72 F CA 0.558 58.339 58.000 -0.365 0.000 1.413 72 F CB 0.710 39.394 39.000 -0.527 0.000 1.099 72 F HN 0.433 nan 8.300 nan 0.000 0.534 73 D N -1.162 119.012 120.400 -0.378 0.000 2.726 73 D HA 0.383 5.024 4.640 0.002 0.000 0.203 73 D C -0.297 175.864 176.300 -0.231 0.000 1.297 73 D CA -0.124 53.663 54.000 -0.355 0.000 0.863 73 D CB 1.143 41.554 40.800 -0.648 0.000 1.669 73 D HN 0.017 nan 8.370 nan 0.000 0.561 74 A N 2.629 125.374 122.820 -0.126 0.000 2.348 74 A HA 0.275 4.597 4.320 0.002 0.000 0.224 74 A C 0.769 178.316 177.584 -0.061 0.000 1.227 74 A CA 0.119 52.104 52.037 -0.086 0.000 0.885 74 A CB 0.085 19.050 19.000 -0.059 0.000 0.933 74 A HN 0.472 nan 8.150 nan 0.000 0.506 75 T N 1.308 115.831 114.554 -0.052 0.000 2.834 75 T HA 0.425 4.777 4.350 0.002 0.000 0.298 75 T C 1.140 175.829 174.700 -0.018 0.000 0.966 75 T CA 0.340 62.430 62.100 -0.017 0.000 1.141 75 T CB 1.273 70.153 68.868 0.020 0.000 0.905 75 T HN 0.401 nan 8.240 nan 0.000 0.535 76 G N 2.914 111.709 108.800 -0.009 0.000 2.481 76 G HA2 0.102 4.064 3.960 0.002 0.000 0.251 76 G HA3 0.102 4.064 3.960 0.002 0.000 0.251 76 G C 0.160 175.062 174.900 0.004 0.000 1.492 76 G CA -0.594 44.502 45.100 -0.007 0.000 1.060 76 G HN 0.607 nan 8.290 nan 0.000 0.553 77 N N 0.724 119.418 118.700 -0.010 0.000 2.422 77 N HA 0.229 4.970 4.740 0.002 0.000 0.264 77 N C 0.349 175.839 175.510 -0.034 0.000 1.063 77 N CA -0.026 53.004 53.050 -0.033 0.000 0.959 77 N CB 1.071 39.495 38.487 -0.105 0.000 1.087 77 N HN 0.315 nan 8.380 nan 0.000 0.483 78 R N 0.918 121.411 120.500 -0.013 0.000 2.738 78 R HA 0.141 4.482 4.340 0.002 0.000 0.268 78 R C -0.387 175.905 176.300 -0.013 0.000 1.062 78 R CA -0.039 56.069 56.100 0.014 0.000 1.158 78 R CB 0.474 30.806 30.300 0.053 0.000 1.046 78 R HN 0.441 nan 8.270 nan 0.000 0.493 79 D N -0.152 120.269 120.400 0.035 0.000 2.272 79 D HA 0.087 4.728 4.640 0.002 0.000 0.247 79 D C -0.172 176.199 176.300 0.117 0.000 0.990 79 D CA -0.278 53.749 54.000 0.045 0.000 0.931 79 D CB 1.149 41.966 40.800 0.029 0.000 1.195 79 D HN 0.517 nan 8.370 nan 0.000 0.477 80 Y N 0.458 120.747 120.300 -0.018 0.000 2.483 80 Y HA 0.530 5.081 4.550 0.002 0.000 0.258 80 Y C -0.410 175.496 175.900 0.009 0.000 1.083 80 Y CA 0.349 58.453 58.100 0.005 0.000 1.283 80 Y CB 0.666 39.097 38.460 -0.047 0.000 1.178 80 Y HN 0.476 nan 8.280 nan 0.000 0.515 81 A N 0.258 123.035 122.820 -0.071 0.000 2.515 81 A HA 0.486 4.807 4.320 0.002 0.000 0.292 81 A C -1.705 175.872 177.584 -0.012 0.000 1.065 81 A CA -1.033 50.932 52.037 -0.119 0.000 0.641 81 A CB 0.405 19.338 19.000 -0.111 0.000 1.306 81 A HN -0.055 nan 8.150 nan 0.000 0.441 82 K N 0.859 121.250 120.400 -0.016 0.000 2.383 82 K HA 0.452 4.773 4.320 0.002 0.000 0.286 82 K C -0.306 176.306 176.600 0.021 0.000 1.051 82 K CA 1.393 57.681 56.287 0.002 0.000 0.974 82 K CB -0.048 32.450 32.500 -0.004 0.000 0.968 82 K HN 0.588 nan 8.250 nan 0.000 0.475 83 D N 1.202 121.617 120.400 0.024 0.000 2.202 83 D HA -0.194 4.447 4.640 0.002 0.000 0.165 83 D C -0.821 175.509 176.300 0.049 0.000 1.170 83 D CA 1.398 55.417 54.000 0.032 0.000 1.110 83 D CB -0.741 40.078 40.800 0.031 0.000 1.160 83 D HN 0.688 nan 8.370 nan 0.000 0.496 84 D N 0.968 121.413 120.400 0.076 0.000 2.467 84 D HA 0.312 4.954 4.640 0.002 0.000 0.220 84 D C -2.617 173.730 176.300 0.078 0.000 1.103 84 D CA -1.614 52.449 54.000 0.104 0.000 0.886 84 D CB 1.151 42.063 40.800 0.187 0.000 1.025 84 D HN 0.002 nan 8.370 nan 0.000 0.514 85 P HA -0.007 nan 4.420 nan 0.000 0.266 85 P C 0.665 177.789 177.300 -0.293 0.000 1.195 85 P CA -0.306 62.666 63.100 -0.212 0.000 0.768 85 P CB 0.993 32.439 31.700 -0.423 0.000 0.838 86 L N 2.838 123.916 121.223 -0.241 0.000 2.249 86 L HA 0.117 4.459 4.340 0.002 0.000 0.207 86 L C 0.656 177.370 176.870 -0.259 0.000 1.090 86 L CA 1.461 56.173 54.840 -0.213 0.000 0.802 86 L CB -0.234 41.771 42.059 -0.090 0.000 0.947 86 L HN 0.432 nan 8.230 nan 0.000 0.453 87 E N -1.907 118.073 120.200 -0.367 0.000 2.408 87 E HA 0.422 4.774 4.350 0.002 0.000 0.275 87 E C -1.478 174.765 176.600 -0.595 0.000 0.935 87 E CA -0.795 55.488 56.400 -0.195 0.000 0.775 87 E CB 1.160 30.992 29.700 0.220 0.000 1.277 87 E HN -0.083 nan 8.360 nan 0.000 0.455 88 F N 0.731 120.734 119.950 0.089 0.000 2.507 88 F HA 0.422 4.950 4.527 0.002 0.000 0.328 88 F C 0.817 176.746 175.800 0.215 0.000 1.136 88 F CA -0.780 57.281 58.000 0.102 0.000 0.930 88 F CB 2.018 41.039 39.000 0.035 0.000 1.166 88 F HN 0.423 nan 8.300 nan 0.000 0.436 89 K N 0.371 120.953 120.400 0.303 0.000 2.335 89 K HA 0.095 4.417 4.320 0.002 0.000 0.195 89 K C 0.468 177.194 176.600 0.210 0.000 1.058 89 K CA 0.220 56.684 56.287 0.295 0.000 0.988 89 K CB 0.378 32.977 32.500 0.166 0.000 0.880 89 K HN 0.630 nan 8.250 nan 0.000 0.513 90 S N 1.880 117.656 115.700 0.126 0.000 2.525 90 S HA -0.018 4.453 4.470 0.002 0.000 0.285 90 S C -0.099 174.539 174.600 0.063 0.000 1.283 90 S CA -0.242 57.944 58.200 -0.023 0.000 1.072 90 S CB 0.026 63.148 63.200 -0.131 0.000 0.867 90 S HN 0.362 nan 8.310 nan 0.000 0.492 91 H N 0.656 119.806 119.070 0.133 0.000 2.886 91 H HA -0.152 4.406 4.556 0.002 0.000 0.294 91 H C 0.974 176.481 175.328 0.298 0.000 1.246 91 H CA 1.229 57.380 56.048 0.171 0.000 1.142 91 H CB -2.172 27.674 29.762 0.140 0.000 1.358 91 H HN 1.029 nan 8.280 nan 0.000 0.406 92 Q N -1.609 118.427 119.800 0.394 0.000 2.392 92 Q HA 0.034 4.375 4.340 0.002 0.000 0.203 92 Q C 0.200 176.476 176.000 0.461 0.000 0.917 92 Q CA 0.281 56.338 55.803 0.423 0.000 0.939 92 Q CB 0.294 29.269 28.738 0.396 0.000 1.063 92 Q HN 0.386 nan 8.270 nan 0.000 0.516 93 W N 0.754 122.111 121.300 0.095 0.000 5.721 93 W HA -0.221 4.440 4.660 0.002 0.000 0.406 93 W C -0.649 175.856 176.519 -0.024 0.000 1.576 93 W CA 0.013 57.343 57.345 -0.025 0.000 0.977 93 W CB -1.961 27.445 29.460 -0.090 0.000 2.771 93 W HN 0.389 nan 8.180 nan 0.000 1.435 94 F N 1.626 121.611 119.950 0.058 0.000 2.467 94 F HA 0.547 5.075 4.527 0.002 0.000 0.362 94 F C 1.327 177.074 175.800 -0.088 0.000 1.090 94 F CA 0.658 58.642 58.000 -0.027 0.000 1.202 94 F CB 0.943 39.895 39.000 -0.080 0.000 1.113 94 F HN 0.295 nan 8.300 nan 0.000 0.541 95 G N 3.555 111.783 108.800 -0.954 0.000 2.255 95 G HA2 -0.207 3.754 3.960 0.002 0.000 0.196 95 G HA3 -0.207 3.754 3.960 0.002 0.000 0.196 95 G C 1.060 175.760 174.900 -0.333 0.000 0.998 95 G CA -0.001 44.648 45.100 -0.751 0.000 0.656 95 G HN 1.297 nan 8.290 nan 0.000 0.490 96 A N -0.107 122.602 122.820 -0.184 0.000 2.194 96 A HA 0.426 4.747 4.320 0.002 0.000 0.220 96 A C 1.378 178.988 177.584 0.042 0.000 1.162 96 A CA 2.260 54.309 52.037 0.019 0.000 0.674 96 A CB -0.419 18.639 19.000 0.095 0.000 0.789 96 A HN 1.975 nan 8.150 nan 0.000 0.470 97 S N -1.988 113.642 115.700 -0.117 0.000 2.592 97 S HA 0.568 5.039 4.470 0.002 0.000 0.275 97 S C -1.121 173.376 174.600 -0.172 0.000 1.169 97 S CA -0.636 57.488 58.200 -0.128 0.000 0.958 97 S CB 1.558 64.670 63.200 -0.146 0.000 1.095 97 S HN 0.415 nan 8.310 nan 0.000 0.471 98 V N 3.367 123.203 119.914 -0.129 0.000 2.532 98 V HA 0.610 4.731 4.120 0.002 0.000 0.294 98 V C -0.417 175.668 176.094 -0.015 0.000 1.036 98 V CA -0.461 61.776 62.300 -0.105 0.000 0.876 98 V CB 1.587 33.328 31.823 -0.137 0.000 1.012 98 V HN 0.888 nan 8.190 nan 0.000 0.432 99 R N 2.133 122.672 120.500 0.065 0.000 2.854 99 R HA 0.865 5.206 4.340 0.002 0.000 0.271 99 R C -0.461 176.054 176.300 0.358 0.000 0.996 99 R CA -0.348 55.867 56.100 0.191 0.000 0.961 99 R CB 2.382 32.799 30.300 0.194 0.000 1.182 99 R HN 0.822 nan 8.270 nan 0.000 0.479 100 S N 0.425 116.330 115.700 0.342 0.000 2.540 100 S HA 0.380 4.852 4.470 0.002 0.000 0.275 100 S C -0.004 174.519 174.600 -0.128 0.000 1.123 100 S CA -0.763 57.563 58.200 0.210 0.000 0.907 100 S CB 2.628 65.999 63.200 0.285 0.000 1.081 100 S HN 0.584 nan 8.310 nan 0.000 0.476 101 K N 0.652 120.660 120.400 -0.652 0.000 2.365 101 K HA 0.361 4.682 4.320 0.002 0.000 0.195 101 K C 0.567 176.956 176.600 -0.351 0.000 1.079 101 K CA 0.835 56.658 56.287 -0.773 0.000 0.979 101 K CB 0.236 31.784 32.500 -1.586 0.000 0.929 101 K HN 0.851 nan 8.250 nan 0.000 0.523 102 Q N -1.252 118.411 119.800 -0.228 0.000 2.002 102 Q HA 0.098 4.439 4.340 0.002 0.000 0.438 102 Q C -0.506 175.446 176.000 -0.080 0.000 0.401 102 Q CA -0.167 55.540 55.803 -0.160 0.000 1.072 102 Q CB 0.084 28.731 28.738 -0.152 0.000 0.665 102 Q HN -0.075 nan 8.270 nan 0.000 0.314 103 D N 1.121 121.492 120.400 -0.047 0.000 2.378 103 D HA 0.005 4.646 4.640 0.002 0.000 0.227 103 D C -0.404 176.025 176.300 0.215 0.000 1.012 103 D CA 0.666 54.707 54.000 0.069 0.000 0.905 103 D CB 0.274 41.085 40.800 0.018 0.000 0.895 103 D HN 0.181 nan 8.370 nan 0.000 0.532 104 K N 0.852 121.329 120.400 0.128 0.000 2.156 104 K HA 0.606 4.927 4.320 0.002 0.000 0.250 104 K C -0.065 176.632 176.600 0.162 0.000 0.955 104 K CA -0.883 55.472 56.287 0.114 0.000 0.855 104 K CB 2.255 34.776 32.500 0.035 0.000 1.101 104 K HN -0.082 nan 8.250 nan 0.000 0.434 105 I N -0.646 120.055 120.570 0.218 0.000 2.610 105 I HA 0.354 4.526 4.170 0.002 0.000 0.289 105 I C -1.540 174.795 176.117 0.364 0.000 1.163 105 I CA -1.139 60.332 61.300 0.286 0.000 1.044 105 I CB 1.735 39.830 38.000 0.158 0.000 1.251 105 I HN 0.634 nan 8.210 nan 0.000 0.424 106 L N 5.986 127.426 121.223 0.361 0.000 2.312 106 L HA 0.846 5.187 4.340 0.002 0.000 0.281 106 L C -0.103 176.783 176.870 0.027 0.000 1.070 106 L CA -0.382 54.562 54.840 0.174 0.000 0.805 106 L CB 1.617 43.678 42.059 0.004 0.000 1.174 106 L HN 0.954 nan 8.230 nan 0.000 0.434 107 A N 4.266 127.045 122.820 -0.068 0.000 2.402 107 A HA 0.594 4.916 4.320 0.002 0.000 0.291 107 A C -0.972 176.570 177.584 -0.070 0.000 1.051 107 A CA -0.511 51.345 52.037 -0.301 0.000 0.716 107 A CB 0.972 19.469 19.000 -0.839 0.000 1.223 107 A HN 0.734 nan 8.150 nan 0.000 0.425 108 c N 1.150 119.662 118.600 -0.146 0.000 2.486 108 c HA 0.927 5.499 4.570 0.002 0.000 0.348 108 c C 0.806 174.942 174.090 0.076 0.000 1.203 108 c CA -0.123 56.221 56.329 0.025 0.000 1.911 108 c CB 1.481 43.971 42.510 -0.034 0.000 2.340 108 c HN 1.188 nan 8.230 nan 0.000 0.511 109 A N 2.237 125.191 122.820 0.224 0.000 2.763 109 A HA 0.581 4.902 4.320 0.002 0.000 0.325 109 A C -1.890 175.811 177.584 0.196 0.000 1.209 109 A CA -0.836 51.369 52.037 0.279 0.000 0.764 109 A CB 0.378 19.620 19.000 0.402 0.000 1.120 109 A HN 0.716 nan 8.150 nan 0.000 0.463 110 P HA 0.018 nan 4.420 nan 0.000 0.245 110 P C 0.327 177.665 177.300 0.063 0.000 1.212 110 P CA 0.420 63.570 63.100 0.083 0.000 0.774 110 P CB 0.377 32.125 31.700 0.079 0.000 0.999 111 L N -1.111 120.195 121.223 0.139 0.000 2.910 111 L HA 0.221 4.562 4.340 0.002 0.000 0.252 111 L C 0.330 177.339 176.870 0.231 0.000 1.195 111 L CA -0.843 54.079 54.840 0.138 0.000 1.003 111 L CB -1.204 40.974 42.059 0.198 0.000 1.328 111 L HN -0.013 nan 8.230 nan 0.000 0.540 112 Y N 1.245 121.587 120.300 0.071 0.000 2.544 112 Y HA 0.192 4.743 4.550 0.002 0.000 0.330 112 Y C -0.060 175.836 175.900 -0.007 0.000 1.136 112 Y CA -0.125 58.045 58.100 0.116 0.000 1.417 112 Y CB 0.195 38.694 38.460 0.065 0.000 1.229 112 Y HN 0.212 nan 8.280 nan 0.000 0.532 113 H N 4.782 123.675 119.070 -0.296 0.000 2.533 113 H HA 0.385 4.943 4.556 0.002 0.000 0.343 113 H C -1.534 173.596 175.328 -0.330 0.000 1.160 113 H CA -0.491 55.385 56.048 -0.287 0.000 1.218 113 H CB 0.910 30.610 29.762 -0.103 0.000 1.566 113 H HN 0.808 nan 8.280 nan 0.000 0.522 114 W N 2.342 123.462 121.300 -0.300 0.000 2.915 114 W HA 0.307 4.968 4.660 0.002 0.000 0.337 114 W C 0.256 176.754 176.519 -0.036 0.000 1.102 114 W CA -1.280 55.931 57.345 -0.224 0.000 1.224 114 W CB 1.183 30.438 29.460 -0.343 0.000 1.416 114 W HN 0.708 nan 8.180 nan 0.000 0.503 115 R N 2.018 122.327 120.500 -0.319 0.000 2.290 115 R HA 0.283 4.624 4.340 0.002 0.000 0.197 115 R C 0.167 175.997 176.300 -0.783 0.000 0.913 115 R CA 0.997 56.878 56.100 -0.366 0.000 1.040 115 R CB -0.781 29.443 30.300 -0.126 0.000 0.992 115 R HN 0.591 nan 8.270 nan 0.000 0.500 116 T N -2.737 110.863 114.554 -1.590 0.000 0.541 116 T HA -0.131 4.221 4.350 0.002 0.000 0.774 116 T C 0.259 174.447 174.700 -0.854 0.000 0.992 116 T CA 0.360 61.508 62.100 -1.587 0.000 4.077 116 T CB -0.617 67.704 68.868 -0.911 0.000 2.303 116 T HN 0.400 nan 8.240 nan 0.000 0.398 117 E N 1.870 121.771 120.200 -0.499 0.000 2.338 117 E HA -0.016 4.335 4.350 0.002 0.000 0.197 117 E C 1.742 178.262 176.600 -0.134 0.000 1.007 117 E CA 1.414 57.738 56.400 -0.127 0.000 0.849 117 E CB -0.085 29.696 29.700 0.135 0.000 0.774 117 E HN 0.748 nan 8.360 nan 0.000 0.506 118 M N 0.869 120.347 119.600 -0.204 0.000 1.999 118 M HA -0.006 4.475 4.480 0.002 0.000 0.200 118 M C 1.221 177.424 176.300 -0.163 0.000 1.379 118 M CA 0.861 56.086 55.300 -0.126 0.000 1.081 118 M CB -0.112 32.433 32.600 -0.092 0.000 0.885 118 M HN -0.184 nan 8.290 nan 0.000 0.459 119 K N 0.795 121.100 120.400 -0.158 0.000 2.179 119 K HA 0.199 4.521 4.320 0.002 0.000 0.238 119 K C -0.390 176.077 176.600 -0.222 0.000 1.033 119 K CA -0.701 55.502 56.287 -0.141 0.000 0.926 119 K CB 0.387 32.835 32.500 -0.085 0.000 1.151 119 K HN 0.271 nan 8.250 nan 0.000 0.492 120 Q N 1.083 120.778 119.800 -0.174 0.000 2.361 120 Q HA 0.056 4.397 4.340 0.002 0.000 0.250 120 Q C -0.895 175.015 176.000 -0.149 0.000 1.023 120 Q CA -0.207 55.482 55.803 -0.190 0.000 0.915 120 Q CB 0.689 29.354 28.738 -0.121 0.000 1.238 120 Q HN 0.487 nan 8.270 nan 0.000 0.451 121 E N 3.283 123.370 120.200 -0.188 0.000 2.586 121 E HA 0.528 4.879 4.350 0.002 0.000 0.232 121 E C -0.522 175.982 176.600 -0.159 0.000 0.854 121 E CA -0.926 55.381 56.400 -0.155 0.000 0.938 121 E CB 1.096 30.687 29.700 -0.183 0.000 1.518 121 E HN 0.520 nan 8.360 nan 0.000 0.400 122 R N 0.715 121.114 120.500 -0.169 0.000 2.891 122 R HA 0.157 4.498 4.340 0.002 0.000 0.202 122 R C -1.090 175.174 176.300 -0.060 0.000 1.510 122 R CA -0.044 55.930 56.100 -0.210 0.000 1.294 122 R CB 0.601 30.621 30.300 -0.467 0.000 1.556 122 R HN 0.375 nan 8.270 nan 0.000 0.694 123 E N 2.878 122.963 120.200 -0.191 0.000 2.200 123 E HA 0.169 4.520 4.350 0.002 0.000 0.283 123 E C -2.083 174.165 176.600 -0.586 0.000 1.015 123 E CA -1.890 54.185 56.400 -0.542 0.000 0.819 123 E CB 1.317 30.663 29.700 -0.591 0.000 1.081 123 E HN 0.070 nan 8.360 nan 0.000 0.397 124 P HA -0.036 nan 4.420 nan 0.000 0.244 124 P C 0.727 177.750 177.300 -0.461 0.000 1.769 124 P CA 0.113 62.718 63.100 -0.825 0.000 1.102 124 P CB 0.146 31.487 31.700 -0.599 0.000 1.937 125 V N -0.047 119.639 119.914 -0.381 0.000 3.052 125 V HA 0.322 4.444 4.120 0.002 0.000 0.254 125 V C 0.971 176.968 176.094 -0.160 0.000 1.100 125 V CA 0.850 62.994 62.300 -0.261 0.000 1.112 125 V CB -1.557 30.125 31.823 -0.236 0.000 0.738 125 V HN 0.599 nan 8.190 nan 0.000 0.469 126 G N -0.561 108.217 108.800 -0.038 0.000 2.781 126 G HA2 0.146 4.108 3.960 0.002 0.000 0.683 126 G HA3 0.146 4.108 3.960 0.002 0.000 0.683 126 G C -0.282 174.690 174.900 0.119 0.000 1.390 126 G CA 0.092 45.254 45.100 0.104 0.000 0.850 126 G HN 1.415 nan 8.290 nan 0.000 0.557 127 T N -0.709 113.839 114.554 -0.011 0.000 2.977 127 T HA 0.553 4.904 4.350 0.002 0.000 0.345 127 T C -0.036 174.565 174.700 -0.164 0.000 1.562 127 T CA 0.403 62.360 62.100 -0.238 0.000 1.090 127 T CB 0.725 69.244 68.868 -0.581 0.000 1.383 127 T HN 1.428 nan 8.240 nan 0.000 0.484 128 c N 2.439 120.909 118.600 -0.218 0.000 2.656 128 c HA 0.935 5.506 4.570 0.002 0.000 0.404 128 c C -1.182 172.787 174.090 -0.202 0.000 1.423 128 c CA -0.621 55.684 56.329 -0.039 0.000 1.784 128 c CB 0.755 43.274 42.510 0.015 0.000 2.093 128 c HN 0.855 nan 8.230 nan 0.000 0.492 129 F N 1.021 120.969 119.950 -0.004 0.000 2.689 129 F HA 0.488 5.017 4.527 0.002 0.000 0.332 129 F C -0.620 175.259 175.800 0.132 0.000 1.209 129 F CA -0.446 57.566 58.000 0.019 0.000 1.028 129 F CB 1.246 40.249 39.000 0.006 0.000 1.291 129 F HN 0.237 nan 8.300 nan 0.000 0.500 130 L N 4.531 125.898 121.223 0.240 0.000 2.265 130 L HA 0.534 4.875 4.340 0.002 0.000 0.289 130 L C -0.420 176.604 176.870 0.256 0.000 1.033 130 L CA -0.206 54.778 54.840 0.239 0.000 0.814 130 L CB 1.235 43.347 42.059 0.089 0.000 1.203 130 L HN 0.731 nan 8.230 nan 0.000 0.423 131 Q N 3.271 123.262 119.800 0.318 0.000 2.215 131 Q HA 0.493 4.834 4.340 0.002 0.000 0.256 131 Q C -1.407 174.638 176.000 0.075 0.000 0.972 131 Q CA -0.535 55.335 55.803 0.112 0.000 0.889 131 Q CB 1.389 30.048 28.738 -0.131 0.000 1.281 131 Q HN 0.670 nan 8.270 nan 0.000 0.456 132 D N 1.896 122.311 120.400 0.025 0.000 2.312 132 D HA 0.277 4.919 4.640 0.002 0.000 0.229 132 D C 0.289 176.600 176.300 0.018 0.000 1.337 132 D CA 0.850 54.874 54.000 0.040 0.000 0.964 132 D CB 0.433 41.262 40.800 0.048 0.000 1.456 132 D HN 0.763 nan 8.370 nan 0.000 0.547 133 G N 3.631 112.442 108.800 0.019 0.000 3.274 133 G HA2 -0.416 3.545 3.960 0.002 0.000 0.313 133 G HA3 -0.416 3.545 3.960 0.002 0.000 0.313 133 G C 0.906 175.787 174.900 -0.032 0.000 1.295 133 G CA 1.741 46.843 45.100 0.005 0.000 1.004 133 G HN 0.900 nan 8.290 nan 0.000 0.614 134 T N -1.818 112.722 114.554 -0.022 0.000 3.075 134 T HA 0.444 4.796 4.350 0.002 0.000 0.251 134 T C 0.880 175.568 174.700 -0.021 0.000 0.979 134 T CA 1.090 63.169 62.100 -0.034 0.000 1.033 134 T CB 0.293 69.149 68.868 -0.020 0.000 1.104 134 T HN 0.634 nan 8.240 nan 0.000 0.473 135 K N 3.299 123.702 120.400 0.004 0.000 2.451 135 K HA 0.298 4.620 4.320 0.002 0.000 0.280 135 K C -0.972 175.640 176.600 0.020 0.000 1.020 135 K CA 0.520 56.822 56.287 0.026 0.000 1.008 135 K CB -0.104 32.422 32.500 0.042 0.000 0.917 135 K HN 0.227 nan 8.250 nan 0.000 0.478 136 T N 4.736 119.309 114.554 0.032 0.000 2.930 136 T HA 0.339 4.690 4.350 0.002 0.000 0.313 136 T C -0.732 173.958 174.700 -0.017 0.000 1.019 136 T CA -0.718 61.406 62.100 0.041 0.000 1.004 136 T CB 0.566 69.466 68.868 0.053 0.000 0.987 136 T HN 0.479 nan 8.240 nan 0.000 0.456 137 V N 1.074 120.908 119.914 -0.134 0.000 3.109 137 V HA 0.715 4.836 4.120 0.002 0.000 0.317 137 V C -0.079 175.678 176.094 -0.561 0.000 1.074 137 V CA -0.897 61.048 62.300 -0.591 0.000 1.033 137 V CB 1.767 33.328 31.823 -0.436 0.000 1.111 137 V HN 0.855 nan 8.190 nan 0.000 0.458 138 E N 1.266 120.875 120.200 -0.984 0.000 2.129 138 E HA 0.341 4.692 4.350 0.002 0.000 0.268 138 E C -2.002 174.400 176.600 -0.330 0.000 0.900 138 E CA -0.757 55.223 56.400 -0.700 0.000 0.755 138 E CB 1.373 30.699 29.700 -0.624 0.000 1.117 138 E HN 0.784 nan 8.360 nan 0.000 0.410 139 Y N 3.327 123.368 120.300 -0.432 0.000 2.330 139 Y HA 0.567 5.118 4.550 0.002 0.000 0.336 139 Y C -0.488 175.243 175.900 -0.281 0.000 1.036 139 Y CA -0.984 56.944 58.100 -0.287 0.000 1.125 139 Y CB 1.793 40.083 38.460 -0.283 0.000 1.194 139 Y HN 0.544 nan 8.280 nan 0.000 0.469 140 A N 8.138 130.576 122.820 -0.635 0.000 3.214 140 A HA 0.285 4.606 4.320 0.002 0.000 0.203 140 A C -1.986 175.290 177.584 -0.513 0.000 0.960 140 A CA -0.604 51.102 52.037 -0.552 0.000 1.113 140 A CB -0.263 18.519 19.000 -0.363 0.000 1.280 140 A HN 0.570 nan 8.150 nan 0.000 0.573 141 P HA -0.212 nan 4.420 nan 0.000 0.219 141 P C 1.273 178.417 177.300 -0.261 0.000 1.151 141 P CA 1.603 64.454 63.100 -0.415 0.000 0.850 141 P CB -0.099 31.302 31.700 -0.498 0.000 0.784 142 c N -1.315 117.105 118.600 -0.301 0.000 2.594 142 c HA 0.152 4.724 4.570 0.002 0.000 0.265 142 c C 1.699 175.643 174.090 -0.244 0.000 1.351 142 c CA -0.607 55.579 56.329 -0.238 0.000 1.744 142 c CB -1.611 40.747 42.510 -0.254 0.000 1.890 142 c HN 0.201 nan 8.230 nan 0.000 0.551 143 R N 1.927 122.225 120.500 -0.337 0.000 2.248 143 R HA 0.324 4.665 4.340 0.002 0.000 0.337 143 R C -0.127 175.940 176.300 -0.388 0.000 1.106 143 R CA 0.354 56.123 56.100 -0.553 0.000 0.959 143 R CB 0.152 29.957 30.300 -0.825 0.000 1.075 143 R HN 0.610 nan 8.270 nan 0.000 0.480 144 S N 1.955 117.552 115.700 -0.172 0.000 2.776 144 S HA 0.141 4.613 4.470 0.002 0.000 0.292 144 S C 0.256 174.960 174.600 0.174 0.000 1.187 144 S CA -0.972 57.231 58.200 0.006 0.000 0.834 144 S CB 1.407 64.613 63.200 0.009 0.000 1.199 144 S HN 0.454 nan 8.310 nan 0.000 0.514 145 Q N 0.671 120.562 119.800 0.153 0.000 2.500 145 Q HA 0.179 4.521 4.340 0.002 0.000 0.213 145 Q C -0.313 175.762 176.000 0.125 0.000 0.974 145 Q CA 0.888 56.788 55.803 0.162 0.000 0.918 145 Q CB -0.347 28.458 28.738 0.111 0.000 0.980 145 Q HN 0.643 nan 8.270 nan 0.000 0.505 146 D N 0.361 120.827 120.400 0.109 0.000 2.517 146 D HA 0.121 4.762 4.640 0.002 0.000 0.220 146 D C -0.484 175.872 176.300 0.093 0.000 1.158 146 D CA -0.414 53.638 54.000 0.087 0.000 0.992 146 D CB -0.241 40.610 40.800 0.084 0.000 1.058 146 D HN 0.044 nan 8.370 nan 0.000 0.516 147 I N -0.868 119.755 120.570 0.089 0.000 3.223 147 I HA 0.551 4.723 4.170 0.002 0.000 0.317 147 I C 0.591 176.735 176.117 0.045 0.000 1.050 147 I CA -0.747 60.599 61.300 0.077 0.000 1.069 147 I CB 0.308 38.339 38.000 0.052 0.000 1.406 147 I HN 0.109 nan 8.210 nan 0.000 0.596 148 D N -0.569 119.859 120.400 0.047 0.000 9.948 148 D HA -0.176 4.466 4.640 0.002 0.000 0.354 148 D C 0.591 176.974 176.300 0.138 0.000 2.964 148 D CA 0.996 55.067 54.000 0.119 0.000 2.324 148 D CB -0.694 40.151 40.800 0.076 0.000 1.175 148 D HN 0.915 nan 8.370 nan 0.000 1.063 149 A N 0.335 123.224 122.820 0.114 0.000 2.066 149 A HA -0.102 4.220 4.320 0.002 0.000 0.218 149 A C 1.397 178.518 177.584 -0.772 0.000 1.157 149 A CA 2.122 53.990 52.037 -0.282 0.000 0.670 149 A CB -0.243 18.450 19.000 -0.511 0.000 0.804 149 A HN 0.588 nan 8.150 nan 0.000 0.453 150 D N -0.928 119.037 120.400 -0.725 0.000 2.349 150 D HA 0.206 4.847 4.640 0.002 0.000 0.224 150 D C 0.972 177.150 176.300 -0.203 0.000 1.029 150 D CA 0.997 54.507 54.000 -0.817 0.000 0.879 150 D CB -0.233 40.415 40.800 -0.254 0.000 0.906 150 D HN 0.292 nan 8.370 nan 0.000 0.528 151 G N -0.213 108.529 108.800 -0.096 0.000 3.387 151 G HA2 0.192 4.153 3.960 0.002 0.000 0.194 151 G HA3 0.192 4.153 3.960 0.002 0.000 0.194 151 G C 0.452 175.395 174.900 0.071 0.000 1.417 151 G CA -0.345 44.824 45.100 0.114 0.000 0.777 151 G HN 0.129 nan 8.290 nan 0.000 0.721 152 Q N 0.092 119.892 119.800 -0.000 0.000 2.179 152 Q HA 0.204 4.545 4.340 0.002 0.000 0.213 152 Q C 1.977 177.886 176.000 -0.151 0.000 0.833 152 Q CA 0.186 55.898 55.803 -0.152 0.000 0.990 152 Q CB 1.171 29.839 28.738 -0.117 0.000 1.132 152 Q HN 0.548 nan 8.270 nan 0.000 0.493 153 G N 0.156 108.908 108.800 -0.081 0.000 2.479 153 G HA2 -0.192 3.770 3.960 0.002 0.000 0.220 153 G HA3 -0.192 3.770 3.960 0.002 0.000 0.220 153 G C 0.564 175.194 174.900 -0.449 0.000 1.115 153 G CA 0.661 45.662 45.100 -0.166 0.000 0.757 153 G HN 0.253 nan 8.290 nan 0.000 0.560 154 F N -0.381 119.350 119.950 -0.366 0.000 2.850 154 F HA 0.331 4.859 4.527 0.002 0.000 0.329 154 F C 1.724 177.209 175.800 -0.524 0.000 1.182 154 F CA -1.414 56.314 58.000 -0.454 0.000 1.270 154 F CB -0.332 38.243 39.000 -0.708 0.000 0.979 154 F HN -0.007 nan 8.300 nan 0.000 0.506 155 c N -0.319 118.097 118.600 -0.307 0.000 2.413 155 c HA -0.206 4.366 4.570 0.002 0.000 0.277 155 c C 1.561 175.512 174.090 -0.231 0.000 1.228 155 c CA 1.126 57.268 56.329 -0.312 0.000 1.731 155 c CB -0.852 41.483 42.510 -0.291 0.000 2.042 155 c HN 0.669 nan 8.230 nan 0.000 0.468 156 Q N -1.036 118.656 119.800 -0.180 0.000 2.470 156 Q HA -0.136 4.206 4.340 0.002 0.000 0.290 156 Q C 0.235 176.187 176.000 -0.081 0.000 1.353 156 Q CA 0.079 55.822 55.803 -0.100 0.000 0.787 156 Q CB -1.689 27.007 28.738 -0.069 0.000 1.158 156 Q HN 0.827 nan 8.270 nan 0.000 0.426 157 G N -0.596 108.124 108.800 -0.133 0.000 2.340 157 G HA2 0.375 4.336 3.960 0.002 0.000 0.245 157 G HA3 0.375 4.336 3.960 0.002 0.000 0.245 157 G C 1.105 175.948 174.900 -0.095 0.000 1.294 157 G CA 0.572 45.586 45.100 -0.144 0.000 0.896 157 G HN 0.959 nan 8.290 nan 0.000 0.522 158 G N 1.522 110.284 108.800 -0.064 0.000 2.184 158 G HA2 -0.264 3.697 3.960 0.002 0.000 0.206 158 G HA3 -0.264 3.697 3.960 0.002 0.000 0.206 158 G C 0.939 175.827 174.900 -0.020 0.000 0.995 158 G CA 0.574 45.642 45.100 -0.053 0.000 0.651 158 G HN 0.812 nan 8.290 nan 0.000 0.511 159 F N 2.679 122.533 119.950 -0.160 0.000 2.269 159 F HA 0.254 4.782 4.527 0.002 0.000 0.301 159 F C 1.413 177.101 175.800 -0.185 0.000 1.082 159 F CA 2.107 59.991 58.000 -0.193 0.000 1.360 159 F CB 0.235 39.081 39.000 -0.255 0.000 1.041 159 F HN 0.580 nan 8.300 nan 0.000 0.512 160 S N 0.175 115.863 115.700 -0.020 0.000 2.541 160 S HA 0.694 5.165 4.470 0.002 0.000 0.271 160 S C -0.839 173.710 174.600 -0.085 0.000 1.133 160 S CA -0.536 57.612 58.200 -0.087 0.000 0.876 160 S CB 2.131 65.314 63.200 -0.030 0.000 1.105 160 S HN 0.316 nan 8.310 nan 0.000 0.470 161 I N -1.557 118.951 120.570 -0.104 0.000 3.181 161 I HA 0.908 5.079 4.170 0.002 0.000 0.311 161 I C -1.964 174.081 176.117 -0.121 0.000 1.287 161 I CA -0.759 60.460 61.300 -0.135 0.000 0.958 161 I CB 2.262 40.162 38.000 -0.167 0.000 1.294 161 I HN 0.722 nan 8.210 nan 0.000 0.467 162 D N 0.705 120.996 120.400 -0.181 0.000 2.766 162 D HA 0.501 5.142 4.640 0.002 0.000 0.244 162 D C -1.987 174.202 176.300 -0.185 0.000 1.198 162 D CA -0.231 53.715 54.000 -0.091 0.000 0.739 162 D CB 1.996 42.809 40.800 0.022 0.000 1.379 162 D HN 0.438 nan 8.370 nan 0.000 0.437 163 F N 0.283 120.261 119.950 0.047 0.000 2.450 163 F HA 0.616 5.144 4.527 0.002 0.000 0.328 163 F C 1.206 177.057 175.800 0.084 0.000 1.068 163 F CA -0.214 57.816 58.000 0.051 0.000 1.007 163 F CB 1.930 40.953 39.000 0.038 0.000 1.251 163 F HN 0.162 nan 8.300 nan 0.000 0.492 164 T N -2.305 112.432 114.554 0.305 0.000 2.932 164 T HA 0.330 4.682 4.350 0.002 0.000 0.289 164 T C 0.798 175.596 174.700 0.163 0.000 1.039 164 T CA -0.948 61.282 62.100 0.217 0.000 1.024 164 T CB 1.973 70.972 68.868 0.217 0.000 1.090 164 T HN 0.656 nan 8.240 nan 0.000 0.496 165 K N 1.011 121.474 120.400 0.106 0.000 2.032 165 K HA -0.180 4.141 4.320 0.002 0.000 0.218 165 K C 1.982 178.615 176.600 0.056 0.000 1.054 165 K CA 1.850 58.173 56.287 0.060 0.000 0.941 165 K CB -0.852 31.668 32.500 0.033 0.000 0.720 165 K HN 0.803 nan 8.250 nan 0.000 0.449 166 A N 1.495 124.352 122.820 0.062 0.000 2.176 166 A HA -0.030 4.291 4.320 0.002 0.000 0.214 166 A C -0.436 177.193 177.584 0.075 0.000 1.327 166 A CA 0.718 52.788 52.037 0.055 0.000 1.015 166 A CB -0.747 18.284 19.000 0.051 0.000 0.818 166 A HN 0.646 nan 8.150 nan 0.000 0.500 167 D N -1.100 119.358 120.400 0.097 0.000 4.288 167 D HA -0.179 4.463 4.640 0.002 0.000 0.234 167 D C -0.027 176.371 176.300 0.164 0.000 1.054 167 D CA 1.533 55.612 54.000 0.133 0.000 1.227 167 D CB -0.638 40.200 40.800 0.063 0.000 0.788 167 D HN 0.796 nan 8.370 nan 0.000 0.393 168 R N 1.109 121.749 120.500 0.233 0.000 2.728 168 R HA 0.713 5.054 4.340 0.002 0.000 0.274 168 R C -1.647 174.686 176.300 0.054 0.000 1.030 168 R CA -0.919 55.263 56.100 0.136 0.000 0.876 168 R CB 1.306 31.690 30.300 0.140 0.000 1.259 168 R HN 0.042 nan 8.270 nan 0.000 0.468 169 V N 2.819 122.659 119.914 -0.124 0.000 2.555 169 V HA 0.484 4.606 4.120 0.002 0.000 0.302 169 V C -0.479 175.461 176.094 -0.256 0.000 1.038 169 V CA -0.802 61.308 62.300 -0.316 0.000 0.887 169 V CB 1.715 33.263 31.823 -0.458 0.000 0.991 169 V HN 0.562 nan 8.190 nan 0.000 0.434 170 L N 5.881 126.943 121.223 -0.267 0.000 2.294 170 L HA 0.639 4.981 4.340 0.002 0.000 0.283 170 L C -1.000 175.731 176.870 -0.232 0.000 1.015 170 L CA -0.472 54.184 54.840 -0.306 0.000 0.831 170 L CB 1.272 43.200 42.059 -0.218 0.000 1.217 170 L HN 0.605 nan 8.230 nan 0.000 0.420 171 L N 4.640 125.738 121.223 -0.208 0.000 2.362 171 L HA 0.792 5.133 4.340 0.002 0.000 0.275 171 L C -0.194 176.590 176.870 -0.143 0.000 0.998 171 L CA -0.299 54.456 54.840 -0.141 0.000 0.820 171 L CB 1.728 43.742 42.059 -0.074 0.000 1.270 171 L HN 0.594 nan 8.230 nan 0.000 0.415 172 G N 2.141 110.882 108.800 -0.100 0.000 2.388 172 G HA2 0.606 4.567 3.960 0.002 0.000 0.330 172 G HA3 0.606 4.567 3.960 0.002 0.000 0.330 172 G C -0.668 174.185 174.900 -0.079 0.000 1.142 172 G CA -0.508 44.545 45.100 -0.079 0.000 0.908 172 G HN 0.870 nan 8.290 nan 0.000 0.473 173 G N 2.064 110.784 108.800 -0.133 0.000 3.003 173 G HA2 0.553 4.515 3.960 0.002 0.000 0.293 173 G HA3 0.553 4.515 3.960 0.002 0.000 0.293 173 G C -1.280 173.480 174.900 -0.233 0.000 1.553 173 G CA -1.114 43.874 45.100 -0.186 0.000 1.078 173 G HN 0.337 nan 8.290 nan 0.000 0.550 174 P HA -0.104 nan 4.420 nan 0.000 0.221 174 P C 1.568 178.776 177.300 -0.155 0.000 1.145 174 P CA 1.386 64.305 63.100 -0.301 0.000 0.795 174 P CB 0.415 31.670 31.700 -0.741 0.000 0.775 175 G N -0.652 107.997 108.800 -0.251 0.000 2.683 175 G HA2 -0.035 3.926 3.960 0.002 0.000 0.213 175 G HA3 -0.035 3.926 3.960 0.002 0.000 0.213 175 G C 0.690 175.212 174.900 -0.630 0.000 1.142 175 G CA -0.040 44.775 45.100 -0.474 0.000 0.793 175 G HN 0.223 nan 8.290 nan 0.000 0.534 176 S N 0.208 115.592 115.700 -0.527 0.000 2.642 176 S HA 0.123 4.594 4.470 0.002 0.000 0.308 176 S C 0.223 174.431 174.600 -0.654 0.000 1.255 176 S CA -0.100 57.623 58.200 -0.795 0.000 1.057 176 S CB -0.568 61.984 63.200 -1.079 0.000 0.785 176 S HN 0.484 nan 8.310 nan 0.000 0.500 177 F N 3.057 122.889 119.950 -0.198 0.000 2.555 177 F HA -0.241 4.287 4.527 0.002 0.000 0.252 177 F C 0.358 176.146 175.800 -0.021 0.000 1.036 177 F CA 0.108 58.032 58.000 -0.126 0.000 0.963 177 F CB -2.184 36.816 39.000 -0.001 0.000 1.076 177 F HN 0.788 nan 8.300 nan 0.000 0.832 178 Y N -0.540 119.732 120.300 -0.046 0.000 3.078 178 Y HA -0.239 4.313 4.550 0.002 0.000 0.202 178 Y C 0.862 176.855 175.900 0.154 0.000 1.322 178 Y CA 0.955 59.049 58.100 -0.011 0.000 1.118 178 Y CB -1.894 36.660 38.460 0.156 0.000 1.343 178 Y HN 0.663 nan 8.280 nan 0.000 0.499 179 W N -2.607 118.805 121.300 0.185 0.000 3.904 179 W HA -0.376 4.285 4.660 0.003 0.000 0.312 179 W C 1.526 178.198 176.519 0.255 0.000 1.159 179 W CA 1.050 58.521 57.345 0.210 0.000 0.704 179 W CB -1.932 27.712 29.460 0.308 0.000 2.209 179 W HN 0.465 nan 8.180 nan 0.000 1.468 180 Q N 0.225 120.223 119.800 0.330 0.000 2.050 180 Q HA 0.188 4.529 4.340 0.002 0.000 0.202 180 Q C 1.635 177.787 176.000 0.253 0.000 0.980 180 Q CA 1.842 57.841 55.803 0.327 0.000 0.840 180 Q CB -0.258 28.693 28.738 0.354 0.000 0.898 180 Q HN 0.414 nan 8.270 nan 0.000 0.424 181 G N -0.079 108.785 108.800 0.108 0.000 2.484 181 G HA2 -0.072 3.890 3.960 0.002 0.000 0.685 181 G HA3 -0.072 3.890 3.960 0.002 0.000 0.685 181 G C -1.626 173.233 174.900 -0.068 0.000 1.294 181 G CA -0.452 44.657 45.100 0.015 0.000 0.879 181 G HN 0.159 nan 8.290 nan 0.000 0.646 182 Q N -1.045 118.673 119.800 -0.138 0.000 2.456 182 Q HA 0.792 5.134 4.340 0.002 0.000 0.284 182 Q C -1.834 174.088 176.000 -0.130 0.000 1.061 182 Q CA -1.001 54.710 55.803 -0.154 0.000 0.799 182 Q CB 2.125 30.666 28.738 -0.328 0.000 1.445 182 Q HN 0.801 nan 8.270 nan 0.000 0.411 183 L N 3.097 124.230 121.223 -0.149 0.000 2.385 183 L HA 0.644 4.986 4.340 0.002 0.000 0.273 183 L C -1.313 175.417 176.870 -0.233 0.000 0.990 183 L CA -0.243 54.471 54.840 -0.210 0.000 0.821 183 L CB 2.099 43.990 42.059 -0.280 0.000 1.279 183 L HN 0.635 nan 8.230 nan 0.000 0.412 184 I N 1.775 122.196 120.570 -0.248 0.000 2.534 184 I HA 0.391 4.562 4.170 0.002 0.000 0.288 184 I C -0.669 175.300 176.117 -0.247 0.000 1.077 184 I CA -0.407 60.773 61.300 -0.199 0.000 1.051 184 I CB 2.201 40.125 38.000 -0.128 0.000 1.234 184 I HN 0.453 nan 8.210 nan 0.000 0.425 185 S N 5.091 120.647 115.700 -0.241 0.000 2.596 185 S HA 0.482 4.953 4.470 0.002 0.000 0.318 185 S C -1.159 173.388 174.600 -0.088 0.000 1.097 185 S CA -0.557 57.501 58.200 -0.237 0.000 1.080 185 S CB 0.790 63.785 63.200 -0.343 0.000 0.991 185 S HN 0.533 nan 8.310 nan 0.000 0.471 186 D N 2.937 123.259 120.400 -0.130 0.000 2.527 186 D HA 0.246 4.888 4.640 0.002 0.000 0.233 186 D C -0.695 175.521 176.300 -0.141 0.000 1.063 186 D CA -0.487 53.428 54.000 -0.142 0.000 0.880 186 D CB 1.753 42.374 40.800 -0.298 0.000 1.457 186 D HN 0.570 nan 8.370 nan 0.000 0.475 187 Q N 0.984 120.745 119.800 -0.066 0.000 2.297 187 Q HA 0.121 4.462 4.340 0.002 0.000 0.267 187 Q C 1.462 177.423 176.000 -0.065 0.000 1.006 187 Q CA -0.383 55.406 55.803 -0.024 0.000 0.896 187 Q CB 1.677 30.431 28.738 0.027 0.000 1.186 187 Q HN 0.260 nan 8.270 nan 0.000 0.392 188 V N 2.619 122.516 119.914 -0.027 0.000 2.278 188 V HA -0.398 3.723 4.120 0.002 0.000 0.251 188 V C 2.039 178.128 176.094 -0.008 0.000 1.062 188 V CA 2.446 64.737 62.300 -0.015 0.000 1.038 188 V CB -1.110 30.768 31.823 0.091 0.000 0.646 188 V HN 0.978 nan 8.190 nan 0.000 0.447 189 A N -0.122 122.712 122.820 0.023 0.000 1.851 189 A HA -0.322 3.999 4.320 0.002 0.000 0.216 189 A C 2.236 179.857 177.584 0.062 0.000 1.195 189 A CA 2.273 54.335 52.037 0.040 0.000 0.622 189 A CB -0.729 18.296 19.000 0.042 0.000 0.831 189 A HN 0.577 nan 8.150 nan 0.000 0.444 190 E N -0.217 120.027 120.200 0.073 0.000 2.219 190 E HA -0.167 4.184 4.350 0.002 0.000 0.198 190 E C 1.714 178.468 176.600 0.257 0.000 0.998 190 E CA 1.350 57.839 56.400 0.148 0.000 0.818 190 E CB -0.311 29.488 29.700 0.164 0.000 0.741 190 E HN 0.707 nan 8.360 nan 0.000 0.477 191 I N -0.248 120.379 120.570 0.096 0.000 2.252 191 I HA -0.206 3.966 4.170 0.002 0.000 0.245 191 I C 2.357 178.583 176.117 0.183 0.000 1.102 191 I CA 1.105 62.436 61.300 0.051 0.000 1.385 191 I CB -0.325 37.453 38.000 -0.369 0.000 1.064 191 I HN 0.172 nan 8.210 nan 0.000 0.414 192 V N -1.700 118.276 119.914 0.103 0.000 2.951 192 V HA -0.053 4.068 4.120 0.002 0.000 0.255 192 V C 2.400 178.591 176.094 0.162 0.000 1.088 192 V CA 1.494 63.865 62.300 0.118 0.000 1.109 192 V CB -0.241 31.624 31.823 0.070 0.000 0.724 192 V HN 0.474 nan 8.190 nan 0.000 0.471 193 S N 0.186 115.971 115.700 0.141 0.000 2.406 193 S HA 0.037 4.508 4.470 0.002 0.000 0.224 193 S C 1.693 176.356 174.600 0.106 0.000 1.030 193 S CA 0.413 58.679 58.200 0.110 0.000 0.958 193 S CB -0.331 62.918 63.200 0.082 0.000 0.811 193 S HN 0.529 nan 8.310 nan 0.000 0.489 194 K N 0.917 121.398 120.400 0.134 0.000 2.437 194 K HA 0.288 4.609 4.320 0.002 0.000 0.198 194 K C -0.021 176.611 176.600 0.053 0.000 1.024 194 K CA -0.404 55.901 56.287 0.029 0.000 1.148 194 K CB -0.767 31.672 32.500 -0.101 0.000 0.860 194 K HN 0.669 nan 8.250 nan 0.000 0.515 195 Y N 1.589 121.912 120.300 0.040 0.000 2.385 195 Y HA 0.032 4.583 4.550 0.002 0.000 0.346 195 Y C -0.085 175.814 175.900 -0.002 0.000 1.270 195 Y CA 0.224 58.351 58.100 0.045 0.000 1.472 195 Y CB 0.666 39.172 38.460 0.077 0.000 1.354 195 Y HN 0.071 nan 8.280 nan 0.000 0.611 196 D N 4.267 124.046 120.400 -1.035 0.000 2.192 196 D HA 0.130 4.771 4.640 0.002 0.000 0.200 196 D C -2.348 173.492 176.300 -0.767 0.000 1.281 196 D CA -1.170 52.389 54.000 -0.734 0.000 0.895 196 D CB 1.166 41.764 40.800 -0.336 0.000 1.643 196 D HN 0.162 nan 8.370 nan 0.000 0.510 197 P HA -0.134 nan 4.420 nan 0.000 0.218 197 P C 0.569 177.768 177.300 -0.169 0.000 1.147 197 P CA 1.038 63.962 63.100 -0.293 0.000 0.827 197 P CB 0.219 31.836 31.700 -0.139 0.000 0.778 198 N N -1.223 117.338 118.700 -0.233 0.000 2.276 198 N HA 0.078 4.820 4.740 0.002 0.000 0.212 198 N C -0.487 174.816 175.510 -0.344 0.000 1.127 198 N CA 0.293 53.187 53.050 -0.260 0.000 0.834 198 N CB 0.814 39.184 38.487 -0.196 0.000 1.014 198 N HN 0.038 nan 8.380 nan 0.000 0.491 199 V N 2.100 121.844 119.914 -0.283 0.000 2.443 199 V HA 0.140 4.262 4.120 0.002 0.000 0.272 199 V C 0.156 176.222 176.094 -0.046 0.000 1.002 199 V CA -0.645 61.524 62.300 -0.219 0.000 0.840 199 V CB 0.438 32.165 31.823 -0.161 0.000 1.042 199 V HN 0.064 nan 8.190 nan 0.000 0.446 200 Y N 1.084 121.399 120.300 0.026 0.000 2.365 200 Y HA -0.091 4.460 4.550 0.003 0.000 0.287 200 Y C 1.385 177.250 175.900 -0.058 0.000 1.162 200 Y CA 0.559 58.671 58.100 0.021 0.000 1.260 200 Y CB -0.141 38.407 38.460 0.147 0.000 0.976 200 Y HN 0.508 nan 8.280 nan 0.000 0.548 201 S N 0.322 116.087 115.700 0.110 0.000 2.539 201 S HA 0.424 4.896 4.470 0.002 0.000 0.235 201 S C -0.320 174.276 174.600 -0.007 0.000 1.326 201 S CA -0.641 57.576 58.200 0.029 0.000 1.183 201 S CB 0.326 63.560 63.200 0.057 0.000 1.073 201 S HN 0.028 nan 8.310 nan 0.000 0.480 202 I N 2.482 123.038 120.570 -0.024 0.000 2.428 202 I HA 0.274 4.446 4.170 0.002 0.000 0.289 202 I C -0.016 175.940 176.117 -0.267 0.000 1.019 202 I CA -0.619 60.571 61.300 -0.185 0.000 1.351 202 I CB 0.856 38.673 38.000 -0.305 0.000 1.412 202 I HN 0.194 nan 8.210 nan 0.000 0.513 203 K N 6.361 126.585 120.400 -0.295 0.000 2.266 203 K HA 0.342 4.664 4.320 0.002 0.000 0.274 203 K C -1.165 175.272 176.600 -0.272 0.000 1.090 203 K CA -0.214 55.966 56.287 -0.178 0.000 0.925 203 K CB 0.200 32.652 32.500 -0.081 0.000 1.225 203 K HN 0.216 nan 8.250 nan 0.000 0.458 204 Y N 0.791 121.124 120.300 0.056 0.000 2.304 204 Y HA 0.111 4.662 4.550 0.002 0.000 0.327 204 Y C 1.650 177.575 175.900 0.040 0.000 1.209 204 Y CA -0.102 58.031 58.100 0.056 0.000 1.299 204 Y CB 0.684 39.191 38.460 0.077 0.000 1.249 204 Y HN 0.602 nan 8.280 nan 0.000 0.519 205 N N 1.134 119.926 118.700 0.153 0.000 2.038 205 N HA -0.169 4.572 4.740 0.002 0.000 0.192 205 N C -0.508 175.061 175.510 0.099 0.000 1.080 205 N CA 0.917 54.025 53.050 0.097 0.000 0.867 205 N CB -0.174 38.356 38.487 0.071 0.000 1.055 205 N HN 0.618 nan 8.380 nan 0.000 0.430 206 N N 1.372 120.128 118.700 0.093 0.000 2.739 206 N HA 0.042 4.783 4.740 0.002 0.000 0.266 206 N C -1.063 174.500 175.510 0.088 0.000 1.168 206 N CA 0.041 53.139 53.050 0.081 0.000 1.055 206 N CB 0.768 39.296 38.487 0.069 0.000 1.393 206 N HN 0.316 nan 8.380 nan 0.000 0.514 207 Q N 2.586 122.442 119.800 0.093 0.000 2.307 207 Q HA 0.365 4.706 4.340 0.002 0.000 0.262 207 Q C -1.135 174.904 176.000 0.064 0.000 0.961 207 Q CA -0.685 55.167 55.803 0.083 0.000 0.882 207 Q CB 0.881 29.690 28.738 0.119 0.000 1.264 207 Q HN 0.454 nan 8.270 nan 0.000 0.446 208 L N 2.747 124.001 121.223 0.051 0.000 2.334 208 L HA 0.867 5.209 4.340 0.002 0.000 0.277 208 L C -0.418 176.445 176.870 -0.013 0.000 1.075 208 L CA -0.655 54.217 54.840 0.052 0.000 0.804 208 L CB 1.590 43.728 42.059 0.131 0.000 1.174 208 L HN 0.818 nan 8.230 nan 0.000 0.438 209 A N 0.851 123.661 122.820 -0.016 0.000 2.577 209 A HA 0.598 4.919 4.320 0.002 0.000 0.297 209 A C -0.363 177.194 177.584 -0.046 0.000 1.060 209 A CA -0.571 51.437 52.037 -0.048 0.000 0.697 209 A CB 1.482 20.479 19.000 -0.004 0.000 1.281 209 A HN 0.673 nan 8.150 nan 0.000 0.402 210 T N -0.044 114.463 114.554 -0.080 0.000 2.828 210 T HA 0.703 5.054 4.350 0.002 0.000 0.290 210 T C 0.249 175.002 174.700 0.087 0.000 1.019 210 T CA -0.258 61.810 62.100 -0.052 0.000 1.031 210 T CB 0.528 69.333 68.868 -0.106 0.000 1.001 210 T HN 0.723 nan 8.240 nan 0.000 0.531 211 R N -0.169 120.374 120.500 0.071 0.000 2.856 211 R HA 0.637 4.978 4.340 0.002 0.000 0.258 211 R C 0.452 176.702 176.300 -0.085 0.000 1.066 211 R CA -0.811 55.288 56.100 -0.003 0.000 1.045 211 R CB 0.819 31.082 30.300 -0.061 0.000 1.178 211 R HN 0.826 nan 8.270 nan 0.000 0.499 212 T N -0.400 113.795 114.554 -0.598 0.000 2.856 212 T HA 0.521 4.872 4.350 0.002 0.000 0.306 212 T C -0.183 174.413 174.700 -0.173 0.000 1.062 212 T CA 0.201 61.897 62.100 -0.673 0.000 1.083 212 T CB 0.457 68.713 68.868 -1.020 0.000 0.984 212 T HN 0.596 nan 8.240 nan 0.000 0.542 213 A N 2.532 125.352 122.820 -0.000 0.000 2.507 213 A HA 0.705 5.026 4.320 0.002 0.000 0.284 213 A C -0.566 177.137 177.584 0.198 0.000 1.281 213 A CA -0.893 51.185 52.037 0.069 0.000 0.744 213 A CB 0.673 19.664 19.000 -0.015 0.000 1.332 213 A HN 0.791 nan 8.150 nan 0.000 0.454 214 Q N -0.504 119.484 119.800 0.314 0.000 2.479 214 Q HA 0.365 4.706 4.340 0.002 0.000 0.267 214 Q C 1.273 177.454 176.000 0.301 0.000 1.071 214 Q CA 0.670 56.645 55.803 0.286 0.000 0.935 214 Q CB 0.343 29.255 28.738 0.289 0.000 1.295 214 Q HN 0.901 nan 8.270 nan 0.000 0.476 215 A N 1.895 124.800 122.820 0.142 0.000 1.969 215 A HA -0.171 4.151 4.320 0.002 0.000 0.218 215 A C 1.753 179.356 177.584 0.032 0.000 1.169 215 A CA 1.599 53.694 52.037 0.096 0.000 0.635 215 A CB -1.001 18.009 19.000 0.017 0.000 0.810 215 A HN 0.833 nan 8.150 nan 0.000 0.445 216 I N -2.833 117.670 120.570 -0.111 0.000 2.229 216 I HA -0.327 3.845 4.170 0.002 0.000 0.250 216 I C 1.951 177.898 176.117 -0.282 0.000 1.096 216 I CA 1.870 62.992 61.300 -0.297 0.000 1.358 216 I CB -0.935 36.706 38.000 -0.598 0.000 1.047 216 I HN 0.214 nan 8.210 nan 0.000 0.422 217 F N 1.093 121.095 119.950 0.087 0.000 2.748 217 F HA 0.065 4.594 4.527 0.002 0.000 0.299 217 F C 0.908 176.792 175.800 0.141 0.000 1.154 217 F CA -0.122 57.950 58.000 0.120 0.000 1.446 217 F CB -1.006 38.088 39.000 0.157 0.000 1.112 217 F HN -0.009 nan 8.300 nan 0.000 0.584 218 D N 1.330 121.893 120.400 0.273 0.000 2.548 218 D HA -0.114 4.527 4.640 0.002 0.000 0.231 218 D C 0.550 176.986 176.300 0.228 0.000 1.142 218 D CA 0.961 55.127 54.000 0.277 0.000 0.866 218 D CB 0.098 41.014 40.800 0.193 0.000 1.190 218 D HN 0.183 nan 8.370 nan 0.000 0.469 219 D N 0.810 121.401 120.400 0.319 0.000 2.835 219 D HA -0.152 4.489 4.640 0.002 0.000 0.230 219 D C 0.399 176.682 176.300 -0.028 0.000 1.130 219 D CA 0.652 54.762 54.000 0.184 0.000 0.738 219 D CB -1.102 39.712 40.800 0.024 0.000 1.090 219 D HN 0.228 nan 8.370 nan 0.000 0.433 220 S N -1.655 114.130 115.700 0.141 0.000 2.441 220 S HA 0.031 4.502 4.470 0.002 0.000 0.224 220 S C 0.842 175.512 174.600 0.117 0.000 1.043 220 S CA 0.134 58.378 58.200 0.073 0.000 0.948 220 S CB 0.320 63.636 63.200 0.194 0.000 0.810 220 S HN 0.554 nan 8.310 nan 0.000 0.504 221 Y N -0.063 120.312 120.300 0.125 0.000 3.848 221 Y HA -0.142 4.410 4.550 0.002 0.000 0.235 221 Y C -0.154 175.780 175.900 0.057 0.000 1.385 221 Y CA -0.842 57.322 58.100 0.106 0.000 1.898 221 Y CB -1.611 36.931 38.460 0.137 0.000 1.598 221 Y HN 0.223 nan 8.280 nan 0.000 0.667 222 L N 1.434 122.766 121.223 0.182 0.000 2.499 222 L HA 0.465 4.806 4.340 0.002 0.000 0.273 222 L C 1.102 178.010 176.870 0.063 0.000 1.195 222 L CA 1.999 56.896 54.840 0.095 0.000 0.882 222 L CB 1.004 43.148 42.059 0.140 0.000 1.133 222 L HN 0.510 nan 8.230 nan 0.000 0.483 223 G N 3.428 112.269 108.800 0.068 0.000 2.195 223 G HA2 -0.376 3.585 3.960 0.002 0.000 0.224 223 G HA3 -0.376 3.585 3.960 0.002 0.000 0.224 223 G C 0.816 175.778 174.900 0.103 0.000 0.990 223 G CA 0.486 45.610 45.100 0.041 0.000 0.639 223 G HN 0.782 nan 8.290 nan 0.000 0.514 224 Y N 2.124 122.438 120.300 0.024 0.000 2.193 224 Y HA 0.090 4.641 4.550 0.002 0.000 0.285 224 Y C 1.813 177.858 175.900 0.242 0.000 1.166 224 Y CA 2.796 60.988 58.100 0.153 0.000 1.181 224 Y CB 0.133 38.661 38.460 0.113 0.000 0.976 224 Y HN 0.829 nan 8.280 nan 0.000 0.520 225 S N -1.395 114.453 115.700 0.247 0.000 2.618 225 S HA 0.675 5.146 4.470 0.002 0.000 0.277 225 S C -1.431 173.199 174.600 0.051 0.000 1.138 225 S CA -0.382 57.871 58.200 0.088 0.000 0.844 225 S CB 1.866 65.093 63.200 0.045 0.000 1.127 225 S HN 0.101 nan 8.310 nan 0.000 0.474 226 V N 0.114 120.038 119.914 0.017 0.000 3.036 226 V HA 0.816 4.937 4.120 0.002 0.000 0.288 226 V C -1.064 175.060 176.094 0.051 0.000 1.407 226 V CA 0.351 62.676 62.300 0.043 0.000 0.983 226 V CB 1.589 33.427 31.823 0.026 0.000 1.128 226 V HN 1.872 nan 8.190 nan 0.000 0.439 227 A N 4.359 127.242 122.820 0.106 0.000 2.594 227 A HA 1.001 5.322 4.320 0.002 0.000 0.291 227 A C -1.036 176.683 177.584 0.224 0.000 1.105 227 A CA -0.025 52.090 52.037 0.131 0.000 0.694 227 A CB 2.113 21.178 19.000 0.107 0.000 1.291 227 A HN 2.077 nan 8.150 nan 0.000 0.410 228 V N -1.736 118.318 119.914 0.234 0.000 3.074 228 V HA 1.069 5.191 4.120 0.002 0.000 0.314 228 V C 0.013 176.265 176.094 0.263 0.000 1.117 228 V CA 0.027 62.504 62.300 0.294 0.000 1.014 228 V CB 1.383 33.376 31.823 0.283 0.000 1.057 228 V HN 2.536 nan 8.190 nan 0.000 0.438 229 G N 0.893 109.849 108.800 0.259 0.000 2.340 229 G HA2 0.396 4.357 3.960 0.002 0.000 0.298 229 G HA3 0.396 4.357 3.960 0.002 0.000 0.298 229 G C -2.225 172.619 174.900 -0.093 0.000 1.498 229 G CA -0.478 44.662 45.100 0.066 0.000 0.847 229 G HN 1.025 nan 8.290 nan 0.000 0.594 230 D N -0.766 119.453 120.400 -0.302 0.000 2.264 230 D HA 0.618 5.259 4.640 0.002 0.000 0.250 230 D C -0.038 175.908 176.300 -0.590 0.000 1.113 230 D CA -0.310 53.534 54.000 -0.259 0.000 0.871 230 D CB 0.771 41.487 40.800 -0.140 0.000 1.167 230 D HN 0.137 nan 8.370 nan 0.000 0.447 231 F N 2.061 122.120 119.950 0.183 0.000 2.817 231 F HA 0.273 4.801 4.527 0.002 0.000 0.319 231 F C -0.419 175.543 175.800 0.270 0.000 1.136 231 F CA -0.682 57.486 58.000 0.281 0.000 1.177 231 F CB -0.072 39.189 39.000 0.434 0.000 1.088 231 F HN 0.176 nan 8.300 nan 0.000 0.520 232 N N -1.819 117.029 118.700 0.247 0.000 2.494 232 N HA 0.495 5.236 4.740 0.002 0.000 0.270 232 N C 0.914 176.497 175.510 0.121 0.000 1.285 232 N CA -0.388 52.773 53.050 0.186 0.000 0.812 232 N CB 0.619 39.188 38.487 0.138 0.000 1.557 232 N HN -0.010 nan 8.380 nan 0.000 0.487 233 G N 0.142 109.007 108.800 0.108 0.000 3.359 233 G HA2 -0.351 3.610 3.960 0.002 0.000 0.338 233 G HA3 -0.351 3.610 3.960 0.002 0.000 0.338 233 G C -0.337 174.595 174.900 0.054 0.000 1.486 233 G CA 2.079 47.227 45.100 0.081 0.000 1.570 233 G HN 0.787 nan 8.290 nan 0.000 1.093 234 D N -2.416 118.003 120.400 0.032 0.000 2.779 234 D HA 0.524 5.165 4.640 0.002 0.000 0.331 234 D C 0.447 176.749 176.300 0.004 0.000 1.331 234 D CA 0.667 54.669 54.000 0.003 0.000 0.866 234 D CB 1.011 41.806 40.800 -0.008 0.000 1.409 234 D HN 1.339 nan 8.370 nan 0.000 0.486 235 G N -0.235 108.559 108.800 -0.009 0.000 2.341 235 G HA2 0.059 4.020 3.960 0.002 0.000 0.196 235 G HA3 0.059 4.020 3.960 0.002 0.000 0.196 235 G C -1.436 173.457 174.900 -0.012 0.000 1.231 235 G CA -0.253 44.844 45.100 -0.006 0.000 1.155 235 G HN 0.496 nan 8.290 nan 0.000 0.529 236 I N 2.071 122.635 120.570 -0.011 0.000 2.664 236 I HA 0.520 4.691 4.170 0.002 0.000 0.308 236 I C 0.081 176.181 176.117 -0.029 0.000 0.984 236 I CA -1.174 60.119 61.300 -0.012 0.000 1.213 236 I CB 1.102 39.102 38.000 -0.001 0.000 1.379 236 I HN 0.576 nan 8.210 nan 0.000 0.501 237 D N 5.132 125.525 120.400 -0.012 0.000 2.548 237 D HA 0.002 4.643 4.640 0.002 0.000 0.231 237 D C -0.605 175.638 176.300 -0.096 0.000 1.142 237 D CA 0.566 54.567 54.000 0.002 0.000 0.866 237 D CB 0.305 41.148 40.800 0.073 0.000 1.190 237 D HN 0.406 nan 8.370 nan 0.000 0.469 238 D N 0.284 120.684 120.400 0.000 0.000 2.440 238 D HA 0.359 5.001 4.640 0.002 0.000 0.258 238 D C 0.048 176.296 176.300 -0.086 0.000 1.092 238 D CA -0.454 53.442 54.000 -0.173 0.000 1.016 238 D CB 0.627 41.532 40.800 0.175 0.000 1.141 238 D HN 0.239 nan 8.370 nan 0.000 0.552 239 F N -0.013 120.110 119.950 0.288 0.000 2.404 239 F HA 0.402 4.930 4.527 0.002 0.000 0.339 239 F C 0.352 176.309 175.800 0.262 0.000 1.105 239 F CA -0.885 57.270 58.000 0.258 0.000 1.087 239 F CB 1.323 40.455 39.000 0.221 0.000 1.143 239 F HN -0.233 nan 8.300 nan 0.000 0.491 240 V N 2.310 122.463 119.914 0.398 0.000 2.487 240 V HA 0.510 4.631 4.120 0.002 0.000 0.298 240 V C -0.588 175.626 176.094 0.200 0.000 1.028 240 V CA -0.486 61.952 62.300 0.229 0.000 0.860 240 V CB 1.753 33.659 31.823 0.139 0.000 0.991 240 V HN 0.794 nan 8.190 nan 0.000 0.427 241 S N 3.142 118.952 115.700 0.183 0.000 2.547 241 S HA 0.780 5.252 4.470 0.002 0.000 0.281 241 S C -0.087 174.522 174.600 0.015 0.000 1.118 241 S CA -0.110 58.162 58.200 0.121 0.000 0.947 241 S CB 1.723 65.035 63.200 0.187 0.000 1.053 241 S HN 1.101 nan 8.310 nan 0.000 0.482 242 G N 1.463 110.246 108.800 -0.028 0.000 2.420 242 G HA2 0.562 4.523 3.960 0.002 0.000 0.284 242 G HA3 0.562 4.523 3.960 0.002 0.000 0.284 242 G C -0.906 173.938 174.900 -0.093 0.000 1.177 242 G CA -0.491 44.545 45.100 -0.107 0.000 0.841 242 G HN 0.835 nan 8.290 nan 0.000 0.527 243 V N 4.085 123.895 119.914 -0.173 0.000 2.315 243 V HA 0.180 4.302 4.120 0.002 0.000 0.265 243 V C -1.541 174.456 176.094 -0.161 0.000 1.019 243 V CA -1.158 61.046 62.300 -0.161 0.000 0.824 243 V CB 1.314 32.924 31.823 -0.355 0.000 1.072 243 V HN 0.542 nan 8.190 nan 0.000 0.448 244 P HA -0.221 nan 4.420 nan 0.000 0.216 244 P C 1.483 178.531 177.300 -0.419 0.000 1.167 244 P CA 1.674 64.398 63.100 -0.628 0.000 0.933 244 P CB 0.108 31.021 31.700 -1.311 0.000 0.793 245 R N -0.658 119.634 120.500 -0.347 0.000 2.339 245 R HA 0.208 4.549 4.340 0.002 0.000 0.199 245 R C 1.090 177.319 176.300 -0.118 0.000 1.018 245 R CA 0.324 56.267 56.100 -0.261 0.000 1.036 245 R CB -1.109 28.920 30.300 -0.451 0.000 0.899 245 R HN 0.195 nan 8.270 nan 0.000 0.473 246 A N 1.413 124.192 122.820 -0.069 0.000 2.567 246 A HA 0.298 4.619 4.320 0.002 0.000 0.236 246 A C 1.152 178.760 177.584 0.040 0.000 1.088 246 A CA 0.544 52.599 52.037 0.028 0.000 0.776 246 A CB -0.001 19.011 19.000 0.019 0.000 1.033 246 A HN 0.530 nan 8.150 nan 0.000 0.513 247 A N 0.425 123.301 122.820 0.095 0.000 5.585 247 A HA -0.210 4.112 4.320 0.002 0.000 0.295 247 A C 0.800 178.388 177.584 0.006 0.000 1.985 247 A CA 1.877 53.946 52.037 0.053 0.000 0.716 247 A CB -1.216 17.802 19.000 0.031 0.000 1.237 247 A HN 1.314 nan 8.150 nan 0.000 0.371 248 R N 1.272 121.766 120.500 -0.011 0.000 3.179 248 R HA 0.435 4.776 4.340 0.002 0.000 0.317 248 R C 0.905 177.192 176.300 -0.022 0.000 1.331 248 R CA 1.891 57.977 56.100 -0.023 0.000 1.184 248 R CB -0.617 29.667 30.300 -0.026 0.000 1.408 248 R HN 1.962 nan 8.270 nan 0.000 0.598 249 T N -4.058 110.480 114.554 -0.025 0.000 4.466 249 T HA -0.200 4.151 4.350 0.002 0.000 0.322 249 T C 0.600 175.294 174.700 -0.009 0.000 0.836 249 T CA 1.027 63.110 62.100 -0.027 0.000 2.023 249 T CB -2.015 66.846 68.868 -0.011 0.000 1.915 249 T HN 0.375 nan 8.240 nan 0.000 0.947 250 L N 0.964 122.177 121.223 -0.018 0.000 2.270 250 L HA 0.433 4.775 4.340 0.002 0.000 0.210 250 L C 1.809 178.655 176.870 -0.040 0.000 1.104 250 L CA 0.826 55.643 54.840 -0.038 0.000 0.804 250 L CB -0.583 41.439 42.059 -0.061 0.000 0.937 250 L HN 1.118 nan 8.230 nan 0.000 0.450 251 G N 0.689 109.491 108.800 0.004 0.000 2.850 251 G HA2 -0.222 3.740 3.960 0.002 0.000 0.686 251 G HA3 -0.222 3.740 3.960 0.002 0.000 0.686 251 G C -0.781 174.257 174.900 0.229 0.000 1.164 251 G CA -0.427 44.730 45.100 0.094 0.000 0.826 251 G HN 0.008 nan 8.290 nan 0.000 0.586 252 M N 0.502 120.235 119.600 0.223 0.000 2.727 252 M HA 0.701 5.183 4.480 0.002 0.000 0.300 252 M C -0.284 176.113 176.300 0.162 0.000 1.246 252 M CA -1.139 54.334 55.300 0.288 0.000 0.835 252 M CB 2.679 35.397 32.600 0.197 0.000 1.755 252 M HN 0.452 nan 8.290 nan 0.000 0.473 253 V N 1.620 121.683 119.914 0.248 0.000 2.483 253 V HA 0.438 4.559 4.120 0.002 0.000 0.297 253 V C -1.499 174.759 176.094 0.274 0.000 1.027 253 V CA -0.721 61.623 62.300 0.073 0.000 0.855 253 V CB 1.707 33.488 31.823 -0.070 0.000 0.995 253 V HN 0.538 nan 8.190 nan 0.000 0.424 254 Y N 4.436 124.781 120.300 0.074 0.000 2.361 254 Y HA 0.616 5.168 4.550 0.003 0.000 0.332 254 Y C 0.287 176.171 175.900 -0.026 0.000 1.101 254 Y CA -1.906 56.172 58.100 -0.036 0.000 1.137 254 Y CB 1.573 39.967 38.460 -0.111 0.000 1.207 254 Y HN 0.396 nan 8.280 nan 0.000 0.463 255 I N 4.580 125.178 120.570 0.046 0.000 2.437 255 I HA 0.224 4.395 4.170 0.002 0.000 0.279 255 I C -1.153 174.957 176.117 -0.011 0.000 1.028 255 I CA -0.670 60.656 61.300 0.043 0.000 1.142 255 I CB 0.663 38.642 38.000 -0.035 0.000 1.266 255 I HN 0.500 nan 8.210 nan 0.000 0.461 256 Y N 3.205 123.614 120.300 0.181 0.000 2.376 256 Y HA 0.200 4.752 4.550 0.002 0.000 0.325 256 Y C 0.529 176.464 175.900 0.058 0.000 1.199 256 Y CA -0.502 57.688 58.100 0.151 0.000 1.206 256 Y CB 0.871 39.501 38.460 0.283 0.000 1.229 256 Y HN 0.498 nan 8.280 nan 0.000 0.480 257 D N 0.511 121.020 120.400 0.182 0.000 2.383 257 D HA 0.156 4.797 4.640 0.002 0.000 0.252 257 D C 1.128 177.347 176.300 -0.136 0.000 1.166 257 D CA 0.215 54.231 54.000 0.026 0.000 0.879 257 D CB 1.036 41.859 40.800 0.038 0.000 1.164 257 D HN 0.782 nan 8.370 nan 0.000 0.462 258 G N 3.394 111.941 108.800 -0.422 0.000 2.776 258 G HA2 -0.185 3.777 3.960 0.002 0.000 0.209 258 G HA3 -0.185 3.777 3.960 0.002 0.000 0.209 258 G C 1.380 176.181 174.900 -0.165 0.000 1.145 258 G CA 0.335 44.978 45.100 -0.761 0.000 0.791 258 G HN 0.415 nan 8.290 nan 0.000 0.530 259 K N 1.528 121.901 120.400 -0.045 0.000 2.190 259 K HA 0.021 4.342 4.320 0.002 0.000 0.202 259 K C 1.911 178.555 176.600 0.072 0.000 1.045 259 K CA 1.265 57.570 56.287 0.029 0.000 0.976 259 K CB -0.003 32.508 32.500 0.019 0.000 0.849 259 K HN 0.332 nan 8.250 nan 0.000 0.468 260 N N -0.456 118.288 118.700 0.073 0.000 2.197 260 N HA 0.068 4.809 4.740 0.002 0.000 0.201 260 N C 0.197 175.777 175.510 0.118 0.000 1.148 260 N CA 0.396 53.497 53.050 0.085 0.000 0.883 260 N CB 0.444 38.967 38.487 0.060 0.000 1.012 260 N HN 0.093 nan 8.380 nan 0.000 0.507 261 M N 0.639 120.341 119.600 0.170 0.000 2.732 261 M HA -0.185 4.296 4.480 0.002 0.000 0.207 261 M C -1.084 175.361 176.300 0.242 0.000 0.513 261 M CA 0.184 55.622 55.300 0.229 0.000 0.652 261 M CB -2.337 30.351 32.600 0.146 0.000 2.410 261 M HN 0.386 nan 8.290 nan 0.000 0.660 262 S N -1.335 114.491 115.700 0.210 0.000 2.617 262 S HA 0.761 5.232 4.470 0.002 0.000 0.283 262 S C 0.298 175.003 174.600 0.176 0.000 1.189 262 S CA -0.176 58.130 58.200 0.176 0.000 1.036 262 S CB 1.909 65.153 63.200 0.073 0.000 1.014 262 S HN 0.740 nan 8.310 nan 0.000 0.522 263 S N 0.817 116.547 115.700 0.049 0.000 2.562 263 S HA 0.288 4.760 4.470 0.002 0.000 0.281 263 S C 0.507 174.981 174.600 -0.210 0.000 1.333 263 S CA -0.574 57.512 58.200 -0.190 0.000 1.052 263 S CB -0.413 62.611 63.200 -0.292 0.000 0.884 263 S HN 0.706 nan 8.310 nan 0.000 0.506 264 L N 3.007 124.053 121.223 -0.295 0.000 2.641 264 L HA 0.420 4.761 4.340 0.002 0.000 0.207 264 L C -0.695 175.716 176.870 -0.765 0.000 1.049 264 L CA -0.030 54.513 54.840 -0.495 0.000 0.866 264 L CB 0.159 41.977 42.059 -0.401 0.000 1.264 264 L HN 0.609 nan 8.230 nan 0.000 0.483 265 Y N -1.045 119.189 120.300 -0.110 0.000 2.625 265 Y HA 0.485 5.036 4.550 0.002 0.000 0.338 265 Y C -0.699 175.107 175.900 -0.157 0.000 1.123 265 Y CA -1.357 56.658 58.100 -0.142 0.000 1.046 265 Y CB 1.315 39.696 38.460 -0.132 0.000 1.299 265 Y HN -0.148 nan 8.280 nan 0.000 0.464 266 N N 0.118 118.806 118.700 -0.020 0.000 2.357 266 N HA 0.653 5.395 4.740 0.002 0.000 0.284 266 N C -1.995 173.430 175.510 -0.141 0.000 1.236 266 N CA -0.768 52.315 53.050 0.054 0.000 0.774 266 N CB 1.915 40.424 38.487 0.038 0.000 1.534 266 N HN 0.414 nan 8.380 nan 0.000 0.478 267 F N -0.344 119.657 119.950 0.085 0.000 2.578 267 F HA 0.504 5.033 4.527 0.002 0.000 0.311 267 F C 0.118 176.009 175.800 0.152 0.000 1.094 267 F CA -0.341 57.714 58.000 0.091 0.000 0.923 267 F CB 2.288 41.377 39.000 0.150 0.000 1.230 267 F HN 0.125 nan 8.300 nan 0.000 0.450 268 T N 0.962 115.576 114.554 0.100 0.000 2.924 268 T HA 0.660 5.011 4.350 0.002 0.000 0.291 268 T C 0.252 174.530 174.700 -0.703 0.000 1.045 268 T CA -0.762 61.247 62.100 -0.152 0.000 1.015 268 T CB 1.886 70.702 68.868 -0.088 0.000 1.103 268 T HN 0.790 nan 8.240 nan 0.000 0.496 269 G N -0.072 108.208 108.800 -0.868 0.000 2.535 269 G HA2 0.426 4.387 3.960 0.002 0.000 0.282 269 G HA3 0.426 4.387 3.960 0.002 0.000 0.282 269 G C 0.181 174.844 174.900 -0.395 0.000 1.350 269 G CA -0.342 44.160 45.100 -0.997 0.000 1.039 269 G HN 0.650 nan 8.290 nan 0.000 0.509 270 E N -1.576 118.506 120.200 -0.196 0.000 2.500 270 E HA 0.055 4.406 4.350 0.002 0.000 0.217 270 E C 0.482 177.103 176.600 0.035 0.000 0.848 270 E CA 0.146 56.520 56.400 -0.045 0.000 1.217 270 E CB 1.033 30.748 29.700 0.026 0.000 1.217 270 E HN 0.540 nan 8.360 nan 0.000 0.573 271 Q N 1.455 121.309 119.800 0.090 0.000 2.320 271 Q HA 0.342 4.683 4.340 0.002 0.000 0.268 271 Q C -0.481 175.544 176.000 0.042 0.000 1.023 271 Q CA -0.284 55.554 55.803 0.059 0.000 0.744 271 Q CB 1.187 29.943 28.738 0.030 0.000 1.246 271 Q HN -0.017 nan 8.270 nan 0.000 0.462 272 M N 2.095 121.699 119.600 0.008 0.000 2.233 272 M HA -0.090 4.391 4.480 0.002 0.000 0.307 272 M C 1.224 177.550 176.300 0.042 0.000 1.026 272 M CA 1.588 56.897 55.300 0.016 0.000 1.109 272 M CB 0.040 32.639 32.600 -0.002 0.000 1.463 272 M HN 1.009 nan 8.290 nan 0.000 0.436 273 A N 0.607 123.468 122.820 0.067 0.000 3.408 273 A HA -0.277 4.045 4.320 0.002 0.000 0.269 273 A C 1.580 179.268 177.584 0.173 0.000 1.124 273 A CA 1.572 53.677 52.037 0.114 0.000 0.999 273 A CB -2.232 16.808 19.000 0.066 0.000 1.067 273 A HN 1.169 nan 8.150 nan 0.000 0.815 274 A N -2.842 120.085 122.820 0.179 0.000 2.121 274 A HA 0.277 4.598 4.320 0.002 0.000 0.218 274 A C 1.012 178.799 177.584 0.338 0.000 1.154 274 A CA 1.671 53.855 52.037 0.245 0.000 0.679 274 A CB -0.305 18.891 19.000 0.328 0.000 0.795 274 A HN 1.865 nan 8.150 nan 0.000 0.458 275 Y N -3.070 117.309 120.300 0.131 0.000 3.457 275 Y HA -0.204 4.348 4.550 0.003 0.000 0.215 275 Y C 0.031 176.046 175.900 0.191 0.000 1.435 275 Y CA -0.293 57.877 58.100 0.118 0.000 1.569 275 Y CB -2.497 35.995 38.460 0.054 0.000 1.518 275 Y HN 0.393 nan 8.280 nan 0.000 0.580 276 F N 1.103 121.053 119.950 -0.000 0.000 2.602 276 F HA 0.361 4.889 4.527 0.002 0.000 0.367 276 F C 1.497 177.244 175.800 -0.089 0.000 1.126 276 F CA 2.039 60.035 58.000 -0.007 0.000 1.321 276 F CB 0.714 39.704 39.000 -0.016 0.000 1.094 276 F HN 0.460 nan 8.300 nan 0.000 0.594 277 G N 4.981 113.513 108.800 -0.446 0.000 2.268 277 G HA2 -0.406 3.556 3.960 0.002 0.000 0.240 277 G HA3 -0.406 3.556 3.960 0.002 0.000 0.240 277 G C 1.074 175.907 174.900 -0.111 0.000 1.010 277 G CA 0.320 45.222 45.100 -0.330 0.000 0.618 277 G HN 0.831 nan 8.290 nan 0.000 0.516 278 F N 2.966 122.827 119.950 -0.148 0.000 2.167 278 F HA 0.000 4.529 4.527 0.003 0.000 0.301 278 F C 1.461 177.332 175.800 0.118 0.000 1.066 278 F CA 2.577 60.610 58.000 0.054 0.000 1.285 278 F CB -0.013 39.132 39.000 0.241 0.000 1.032 278 F HN 0.847 nan 8.300 nan 0.000 0.495 279 S N -1.145 114.596 115.700 0.070 0.000 2.550 279 S HA 0.705 5.176 4.470 0.002 0.000 0.270 279 S C -0.871 173.678 174.600 -0.085 0.000 1.145 279 S CA -0.315 57.864 58.200 -0.036 0.000 0.852 279 S CB 1.965 65.182 63.200 0.028 0.000 1.119 279 S HN 0.589 nan 8.310 nan 0.000 0.465 280 V N -2.425 117.442 119.914 -0.078 0.000 3.188 280 V HA 1.071 5.193 4.120 0.002 0.000 0.305 280 V C -0.561 175.521 176.094 -0.020 0.000 1.232 280 V CA -0.643 61.612 62.300 -0.075 0.000 1.043 280 V CB 0.968 32.733 31.823 -0.096 0.000 1.068 280 V HN 2.079 nan 8.190 nan 0.000 0.439 281 A N 0.810 123.651 122.820 0.034 0.000 2.566 281 A HA 1.018 5.340 4.320 0.002 0.000 0.297 281 A C -0.595 177.084 177.584 0.159 0.000 1.059 281 A CA -0.163 51.903 52.037 0.050 0.000 0.691 281 A CB 1.559 20.525 19.000 -0.055 0.000 1.282 281 A HN 2.571 nan 8.150 nan 0.000 0.401 282 A N 0.892 123.803 122.820 0.152 0.000 2.330 282 A HA 0.970 5.291 4.320 0.002 0.000 0.313 282 A C -0.257 177.412 177.584 0.142 0.000 1.124 282 A CA -0.030 52.151 52.037 0.239 0.000 0.774 282 A CB 1.401 20.570 19.000 0.282 0.000 1.198 282 A HN 2.165 nan 8.150 nan 0.000 0.465 283 T N 0.573 115.231 114.554 0.173 0.000 2.927 283 T HA 0.330 4.682 4.350 0.002 0.000 0.350 283 T C -2.322 172.485 174.700 0.178 0.000 1.746 283 T CA -0.516 61.644 62.100 0.099 0.000 1.081 283 T CB 1.344 70.200 68.868 -0.020 0.000 1.551 283 T HN 0.681 nan 8.240 nan 0.000 0.489 284 D N 2.993 123.477 120.400 0.140 0.000 2.380 284 D HA 0.350 4.991 4.640 0.002 0.000 0.230 284 D C 0.923 177.351 176.300 0.213 0.000 1.154 284 D CA -0.542 53.567 54.000 0.182 0.000 0.859 284 D CB 0.797 41.678 40.800 0.135 0.000 1.045 284 D HN 0.372 nan 8.370 nan 0.000 0.495 285 I N 3.337 124.074 120.570 0.279 0.000 2.716 285 I HA -0.048 4.124 4.170 0.002 0.000 0.259 285 I C 0.925 177.190 176.117 0.247 0.000 1.172 285 I CA 0.665 62.136 61.300 0.285 0.000 1.478 285 I CB -0.122 38.124 38.000 0.410 0.000 1.104 285 I HN 0.438 nan 8.210 nan 0.000 0.439 286 N N -0.270 118.571 118.700 0.234 0.000 2.389 286 N HA 0.201 4.943 4.740 0.002 0.000 0.260 286 N C 1.081 176.844 175.510 0.421 0.000 1.191 286 N CA 0.275 53.448 53.050 0.206 0.000 0.885 286 N CB -0.399 38.149 38.487 0.101 0.000 1.162 286 N HN 0.138 nan 8.380 nan 0.000 0.512 287 G N 1.787 110.872 108.800 0.476 0.000 2.449 287 G HA2 -0.325 3.637 3.960 0.002 0.000 0.304 287 G HA3 -0.325 3.637 3.960 0.002 0.000 0.304 287 G C 0.089 175.125 174.900 0.226 0.000 0.962 287 G CA 0.843 46.135 45.100 0.321 0.000 0.943 287 G HN 0.730 nan 8.290 nan 0.000 0.514 288 D N -0.352 120.176 120.400 0.214 0.000 2.525 288 D HA 0.187 4.829 4.640 0.002 0.000 0.229 288 D C 0.633 176.999 176.300 0.110 0.000 1.202 288 D CA 0.048 54.165 54.000 0.196 0.000 0.828 288 D CB -0.157 40.802 40.800 0.265 0.000 1.008 288 D HN 0.261 nan 8.370 nan 0.000 0.493 289 D N -0.383 120.029 120.400 0.021 0.000 3.044 289 D HA -0.262 4.379 4.640 0.002 0.000 0.223 289 D C -0.810 175.365 176.300 -0.209 0.000 1.191 289 D CA 0.975 54.907 54.000 -0.114 0.000 0.881 289 D CB -1.303 39.375 40.800 -0.202 0.000 1.115 289 D HN 0.481 nan 8.370 nan 0.000 0.408 290 Y N 0.163 120.463 120.300 -0.001 0.000 2.331 290 Y HA 0.541 5.093 4.550 0.002 0.000 0.338 290 Y C 0.823 176.710 175.900 -0.021 0.000 0.992 290 Y CA -0.629 57.450 58.100 -0.035 0.000 1.121 290 Y CB 1.466 39.904 38.460 -0.036 0.000 1.184 290 Y HN -0.012 nan 8.280 nan 0.000 0.469 291 A N 3.061 125.918 122.820 0.062 0.000 2.507 291 A HA 0.291 4.612 4.320 0.002 0.000 0.235 291 A C -0.486 177.210 177.584 0.186 0.000 1.070 291 A CA -0.113 51.947 52.037 0.038 0.000 0.768 291 A CB 0.041 18.926 19.000 -0.192 0.000 1.011 291 A HN 0.691 nan 8.150 nan 0.000 0.502 292 D N 0.401 120.979 120.400 0.297 0.000 2.646 292 D HA 0.459 5.101 4.640 0.002 0.000 0.245 292 D C -0.923 175.668 176.300 0.486 0.000 1.099 292 D CA -0.238 53.996 54.000 0.390 0.000 0.849 292 D CB 1.814 42.839 40.800 0.375 0.000 1.448 292 D HN 0.183 nan 8.370 nan 0.000 0.489 293 V N 2.076 122.212 119.914 0.370 0.000 2.481 293 V HA 0.404 4.526 4.120 0.002 0.000 0.286 293 V C -0.633 175.427 176.094 -0.056 0.000 1.042 293 V CA -0.373 62.041 62.300 0.190 0.000 0.928 293 V CB 0.607 32.369 31.823 -0.101 0.000 0.986 293 V HN 0.354 nan 8.190 nan 0.000 0.462 294 F N 5.124 125.004 119.950 -0.117 0.000 2.507 294 F HA 0.645 5.173 4.527 0.002 0.000 0.328 294 F C -0.043 175.617 175.800 -0.234 0.000 1.136 294 F CA -0.607 57.305 58.000 -0.147 0.000 0.930 294 F CB 1.519 40.465 39.000 -0.090 0.000 1.166 294 F HN 0.208 nan 8.300 nan 0.000 0.436 295 I N 2.430 122.895 120.570 -0.175 0.000 2.465 295 I HA 0.661 4.833 4.170 0.002 0.000 0.291 295 I C 0.200 176.187 176.117 -0.218 0.000 1.014 295 I CA -0.772 60.327 61.300 -0.335 0.000 1.093 295 I CB 2.092 39.683 38.000 -0.683 0.000 1.267 295 I HN 0.689 nan 8.210 nan 0.000 0.431 296 G N 3.844 112.546 108.800 -0.163 0.000 2.461 296 G HA2 0.688 4.650 3.960 0.002 0.000 0.323 296 G HA3 0.688 4.650 3.960 0.002 0.000 0.323 296 G C -0.897 174.027 174.900 0.040 0.000 1.229 296 G CA -0.574 44.513 45.100 -0.022 0.000 0.941 296 G HN 0.737 nan 8.290 nan 0.000 0.477 297 A N 4.539 127.435 122.820 0.127 0.000 2.786 297 A HA 0.659 4.981 4.320 0.002 0.000 0.346 297 A C -1.062 176.654 177.584 0.220 0.000 1.265 297 A CA -1.410 50.765 52.037 0.229 0.000 0.858 297 A CB 1.196 20.394 19.000 0.331 0.000 1.118 297 A HN 0.469 nan 8.150 nan 0.000 0.482 298 P HA -0.130 nan 4.420 nan 0.000 0.222 298 P C 0.330 177.697 177.300 0.111 0.000 1.142 298 P CA 0.997 64.136 63.100 0.066 0.000 0.788 298 P CB 0.266 31.829 31.700 -0.228 0.000 0.767 299 L N -2.116 119.198 121.223 0.152 0.000 3.168 299 L HA 0.344 4.686 4.340 0.002 0.000 0.277 299 L C 0.436 177.409 176.870 0.172 0.000 1.245 299 L CA -1.308 53.616 54.840 0.140 0.000 1.035 299 L CB -1.317 40.796 42.059 0.090 0.000 1.399 299 L HN -0.154 nan 8.230 nan 0.000 0.580 300 F N 1.503 121.499 119.950 0.076 0.000 2.572 300 F HA 0.221 4.750 4.527 0.002 0.000 0.370 300 F C 0.565 176.371 175.800 0.010 0.000 1.103 300 F CA 0.372 58.403 58.000 0.051 0.000 1.286 300 F CB 0.433 39.467 39.000 0.057 0.000 1.105 300 F HN -0.024 nan 8.300 nan 0.000 0.583 301 M N 6.587 125.740 119.600 -0.746 0.000 2.205 301 M HA 0.228 4.709 4.480 0.002 0.000 0.344 301 M C -0.678 175.189 176.300 -0.722 0.000 1.085 301 M CA -0.787 54.202 55.300 -0.519 0.000 1.001 301 M CB 1.352 33.746 32.600 -0.343 0.000 1.626 301 M HN 0.657 nan 8.290 nan 0.000 0.442 302 D N 3.216 123.434 120.400 -0.303 0.000 2.666 302 D HA 0.573 5.215 4.640 0.002 0.000 0.252 302 D C -0.713 175.519 176.300 -0.113 0.000 1.143 302 D CA -0.625 53.297 54.000 -0.130 0.000 1.096 302 D CB 1.103 41.957 40.800 0.091 0.000 1.260 302 D HN 0.458 nan 8.370 nan 0.000 0.633 303 R N -1.305 119.160 120.500 -0.059 0.000 2.740 303 R HA 0.680 5.021 4.340 0.002 0.000 0.282 303 R C 0.292 176.566 176.300 -0.043 0.000 0.969 303 R CA -0.944 55.121 56.100 -0.058 0.000 0.918 303 R CB 2.123 32.395 30.300 -0.046 0.000 1.175 303 R HN 0.573 nan 8.270 nan 0.000 0.464 304 G N -0.223 108.551 108.800 -0.044 0.000 2.532 304 G HA2 0.106 4.067 3.960 0.002 0.000 0.291 304 G HA3 0.106 4.067 3.960 0.002 0.000 0.291 304 G C 0.559 175.447 174.900 -0.021 0.000 1.349 304 G CA -0.523 44.558 45.100 -0.032 0.000 1.038 304 G HN 0.535 nan 8.290 nan 0.000 0.518 305 S N 0.548 116.239 115.700 -0.014 0.000 2.370 305 S HA -0.164 4.308 4.470 0.002 0.000 0.226 305 S C 1.840 176.433 174.600 -0.012 0.000 1.033 305 S CA 1.809 60.003 58.200 -0.009 0.000 1.011 305 S CB -0.277 62.921 63.200 -0.004 0.000 0.852 305 S HN 0.804 nan 8.310 nan 0.000 0.457 306 D N 0.749 121.140 120.400 -0.014 0.000 2.352 306 D HA 0.158 4.800 4.640 0.002 0.000 0.232 306 D C 1.183 177.472 176.300 -0.019 0.000 1.055 306 D CA 0.682 54.673 54.000 -0.015 0.000 0.891 306 D CB -1.054 39.737 40.800 -0.015 0.000 0.897 306 D HN 0.410 nan 8.370 nan 0.000 0.529 307 G N 0.222 109.009 108.800 -0.022 0.000 2.168 307 G HA2 -0.375 3.586 3.960 0.002 0.000 0.257 307 G HA3 -0.375 3.586 3.960 0.002 0.000 0.257 307 G C 0.207 175.086 174.900 -0.034 0.000 0.997 307 G CA 0.414 45.498 45.100 -0.026 0.000 0.708 307 G HN 0.556 nan 8.290 nan 0.000 0.520 308 K N -0.350 120.027 120.400 -0.039 0.000 2.174 308 K HA 0.523 4.844 4.320 0.002 0.000 0.275 308 K C 0.442 177.003 176.600 -0.066 0.000 1.015 308 K CA -1.048 55.211 56.287 -0.047 0.000 0.933 308 K CB 0.519 32.993 32.500 -0.043 0.000 1.025 308 K HN 0.042 nan 8.250 nan 0.000 0.463 309 L N 4.614 125.792 121.223 -0.075 0.000 2.513 309 L HA -0.022 4.319 4.340 0.002 0.000 0.272 309 L C -0.423 176.375 176.870 -0.121 0.000 1.187 309 L CA 0.943 55.720 54.840 -0.105 0.000 0.895 309 L CB 0.251 42.248 42.059 -0.103 0.000 1.147 309 L HN 0.582 nan 8.230 nan 0.000 0.483 310 Q N 2.908 122.620 119.800 -0.148 0.000 2.359 310 Q HA 0.495 4.836 4.340 0.002 0.000 0.274 310 Q C -1.029 174.853 176.000 -0.196 0.000 1.074 310 Q CA -0.805 54.888 55.803 -0.182 0.000 0.810 310 Q CB 1.884 30.524 28.738 -0.163 0.000 1.342 310 Q HN 0.539 nan 8.270 nan 0.000 0.427 311 E N 1.677 121.727 120.200 -0.250 0.000 2.130 311 E HA 0.277 4.629 4.350 0.002 0.000 0.284 311 E C -0.106 176.427 176.600 -0.112 0.000 1.018 311 E CA -0.349 55.954 56.400 -0.161 0.000 0.817 311 E CB 1.144 30.785 29.700 -0.098 0.000 1.078 311 E HN 0.619 nan 8.360 nan 0.000 0.396 312 V N 1.104 121.011 119.914 -0.012 0.000 3.509 312 V HA 0.414 4.536 4.120 0.002 0.000 0.286 312 V C 0.466 176.617 176.094 0.095 0.000 1.618 312 V CA 0.232 62.543 62.300 0.018 0.000 1.088 312 V CB -0.121 31.654 31.823 -0.080 0.000 0.909 312 V HN 0.792 nan 8.190 nan 0.000 0.429 313 G N 1.800 110.717 108.800 0.194 0.000 2.967 313 G HA2 -0.069 3.893 3.960 0.002 0.000 0.684 313 G HA3 -0.069 3.893 3.960 0.002 0.000 0.684 313 G C -0.497 174.529 174.900 0.209 0.000 1.596 313 G CA 0.431 45.703 45.100 0.286 0.000 1.102 313 G HN 1.563 nan 8.290 nan 0.000 0.596 314 Q N -1.540 118.349 119.800 0.149 0.000 2.544 314 Q HA 0.800 5.142 4.340 0.002 0.000 0.291 314 Q C -1.169 174.879 176.000 0.081 0.000 1.068 314 Q CA -1.301 54.499 55.803 -0.005 0.000 0.785 314 Q CB 2.478 30.978 28.738 -0.397 0.000 1.481 314 Q HN 0.910 nan 8.270 nan 0.000 0.430 315 V N 1.486 121.445 119.914 0.075 0.000 2.407 315 V HA 0.362 4.484 4.120 0.002 0.000 0.291 315 V C -0.537 175.532 176.094 -0.043 0.000 1.018 315 V CA -0.662 61.663 62.300 0.041 0.000 0.842 315 V CB 1.516 33.384 31.823 0.075 0.000 0.996 315 V HN 0.844 nan 8.190 nan 0.000 0.426 316 S N 4.276 119.942 115.700 -0.058 0.000 2.528 316 S HA 0.466 4.937 4.470 0.002 0.000 0.277 316 S C -0.366 174.103 174.600 -0.220 0.000 1.297 316 S CA -0.321 57.831 58.200 -0.080 0.000 1.052 316 S CB 0.773 63.997 63.200 0.039 0.000 0.917 316 S HN 0.532 nan 8.310 nan 0.000 0.492 317 V N 5.859 125.610 119.914 -0.272 0.000 2.289 317 V HA 0.310 4.431 4.120 0.002 0.000 0.272 317 V C -0.382 175.521 176.094 -0.319 0.000 1.026 317 V CA -0.708 61.263 62.300 -0.550 0.000 0.807 317 V CB 0.987 32.505 31.823 -0.508 0.000 1.044 317 V HN 0.905 nan 8.190 nan 0.000 0.443 318 S N 5.760 121.315 115.700 -0.241 0.000 2.430 318 S HA 0.579 5.050 4.470 0.002 0.000 0.289 318 S C -0.356 174.351 174.600 0.179 0.000 1.143 318 S CA -0.496 57.747 58.200 0.071 0.000 1.067 318 S CB 1.129 64.469 63.200 0.233 0.000 0.964 318 S HN 0.379 nan 8.310 nan 0.000 0.485 319 L N 3.412 124.723 121.223 0.146 0.000 2.292 319 L HA 0.345 4.687 4.340 0.002 0.000 0.284 319 L C 0.391 177.287 176.870 0.044 0.000 1.065 319 L CA 0.142 55.043 54.840 0.102 0.000 0.806 319 L CB 1.169 43.247 42.059 0.032 0.000 1.175 319 L HN 0.696 nan 8.230 nan 0.000 0.431 320 Q N 5.021 124.779 119.800 -0.070 0.000 2.296 320 Q HA 0.355 4.696 4.340 0.002 0.000 0.257 320 Q C -0.754 174.981 176.000 -0.442 0.000 0.942 320 Q CA -0.577 54.926 55.803 -0.500 0.000 0.939 320 Q CB 0.770 29.276 28.738 -0.388 0.000 1.198 320 Q HN 0.493 nan 8.270 nan 0.000 0.429 321 R N 2.214 122.405 120.500 -0.515 0.000 2.643 321 R HA 0.385 4.726 4.340 0.002 0.000 0.272 321 R C 0.747 176.662 176.300 -0.642 0.000 0.995 321 R CA 0.249 56.051 56.100 -0.495 0.000 1.032 321 R CB 1.234 31.360 30.300 -0.290 0.000 1.126 321 R HN 0.865 nan 8.270 nan 0.000 0.505 322 A N 1.009 123.394 122.820 -0.725 0.000 1.997 322 A HA -0.256 4.066 4.320 0.002 0.000 0.221 322 A C 2.220 179.662 177.584 -0.235 0.000 1.172 322 A CA 2.479 54.194 52.037 -0.537 0.000 0.645 322 A CB -0.541 18.329 19.000 -0.217 0.000 0.813 322 A HN 0.797 nan 8.150 nan 0.000 0.454 323 S N -1.879 113.702 115.700 -0.198 0.000 2.365 323 S HA 0.077 4.549 4.470 0.002 0.000 0.225 323 S C 1.645 176.200 174.600 -0.075 0.000 1.039 323 S CA 2.625 60.761 58.200 -0.106 0.000 1.033 323 S CB -0.368 62.774 63.200 -0.097 0.000 0.887 323 S HN 1.936 nan 8.310 nan 0.000 0.447 324 G N 0.101 108.808 108.800 -0.155 0.000 2.480 324 G HA2 -0.100 3.862 3.960 0.002 0.000 0.193 324 G HA3 -0.100 3.862 3.960 0.002 0.000 0.193 324 G C -0.409 174.361 174.900 -0.217 0.000 1.004 324 G CA 0.149 45.206 45.100 -0.073 0.000 0.696 324 G HN 0.553 nan 8.290 nan 0.000 0.478 325 D N 0.234 120.527 120.400 -0.179 0.000 2.383 325 D HA 0.665 5.306 4.640 0.002 0.000 0.248 325 D C -0.082 176.059 176.300 -0.265 0.000 1.170 325 D CA 0.188 54.126 54.000 -0.104 0.000 0.977 325 D CB 0.595 41.375 40.800 -0.032 0.000 1.120 325 D HN 0.061 nan 8.370 nan 0.000 0.481 326 F N -0.027 119.821 119.950 -0.170 0.000 2.538 326 F HA 0.293 4.821 4.527 0.002 0.000 0.325 326 F C 0.578 176.339 175.800 -0.065 0.000 1.066 326 F CA -0.805 57.133 58.000 -0.103 0.000 0.946 326 F CB 1.354 40.316 39.000 -0.062 0.000 1.199 326 F HN -0.005 nan 8.300 nan 0.000 0.473 327 Q N 2.588 122.465 119.800 0.128 0.000 2.508 327 Q HA 0.329 4.671 4.340 0.002 0.000 0.247 327 Q C -1.112 174.934 176.000 0.077 0.000 1.047 327 Q CA -0.281 55.560 55.803 0.064 0.000 0.783 327 Q CB 0.945 29.690 28.738 0.012 0.000 1.172 327 Q HN 0.823 nan 8.270 nan 0.000 0.515 328 T N 1.679 116.282 114.554 0.082 0.000 2.847 328 T HA 0.546 4.898 4.350 0.002 0.000 0.279 328 T C 0.362 175.066 174.700 0.007 0.000 0.984 328 T CA -0.252 61.879 62.100 0.053 0.000 0.988 328 T CB 1.484 70.402 68.868 0.084 0.000 1.040 328 T HN 0.718 nan 8.240 nan 0.000 0.528 329 T N -1.233 113.305 114.554 -0.026 0.000 2.731 329 T HA 0.696 5.048 4.350 0.002 0.000 0.300 329 T C -1.681 172.983 174.700 -0.059 0.000 1.283 329 T CA -1.094 60.986 62.100 -0.035 0.000 1.005 329 T CB 1.814 70.663 68.868 -0.030 0.000 1.420 329 T HN 0.336 nan 8.240 nan 0.000 0.503 330 K N -0.171 120.192 120.400 -0.061 0.000 2.400 330 K HA 0.834 5.156 4.320 0.002 0.000 0.246 330 K C -1.511 175.039 176.600 -0.083 0.000 0.995 330 K CA -0.892 55.339 56.287 -0.093 0.000 0.840 330 K CB 2.112 34.536 32.500 -0.126 0.000 1.293 330 K HN 0.714 nan 8.250 nan 0.000 0.445 331 L N 1.762 122.920 121.223 -0.108 0.000 2.596 331 L HA 0.339 4.681 4.340 0.002 0.000 0.265 331 L C -1.714 175.018 176.870 -0.230 0.000 0.962 331 L CA -0.259 54.516 54.840 -0.108 0.000 0.891 331 L CB 1.350 43.392 42.059 -0.029 0.000 1.248 331 L HN 0.541 nan 8.230 nan 0.000 0.410 332 N N 2.164 120.632 118.700 -0.387 0.000 2.492 332 N HA 0.718 5.459 4.740 0.002 0.000 0.289 332 N C 0.391 175.153 175.510 -1.246 0.000 1.133 332 N CA -0.047 52.672 53.050 -0.550 0.000 0.961 332 N CB 1.346 39.658 38.487 -0.293 0.000 1.186 332 N HN 0.646 nan 8.380 nan 0.000 0.493 333 G N -0.440 107.595 108.800 -1.275 0.000 2.590 333 G HA2 0.178 4.140 3.960 0.002 0.000 0.276 333 G HA3 0.178 4.140 3.960 0.002 0.000 0.276 333 G C -0.416 173.683 174.900 -1.335 0.000 1.337 333 G CA 0.140 44.259 45.100 -1.635 0.000 1.030 333 G HN 0.530 nan 8.290 nan 0.000 0.534 334 F N -1.144 118.658 119.950 -0.246 0.000 2.463 334 F HA 0.322 4.850 4.527 0.002 0.000 0.271 334 F C 1.226 177.021 175.800 -0.008 0.000 0.888 334 F CA -0.231 57.704 58.000 -0.107 0.000 1.149 334 F CB -0.198 38.761 39.000 -0.068 0.000 1.071 334 F HN 0.226 nan 8.300 nan 0.000 0.802 335 E N 1.660 122.041 120.200 0.301 0.000 2.331 335 E HA 0.305 4.657 4.350 0.002 0.000 0.272 335 E C -0.544 176.133 176.600 0.129 0.000 1.036 335 E CA -0.452 56.074 56.400 0.210 0.000 0.864 335 E CB 2.036 31.895 29.700 0.266 0.000 1.035 335 E HN -0.145 nan 8.360 nan 0.000 0.408 336 V N 3.947 123.885 119.914 0.039 0.000 2.715 336 V HA -0.085 4.036 4.120 0.002 0.000 0.299 336 V C 0.419 176.534 176.094 0.035 0.000 1.054 336 V CA 0.568 62.795 62.300 -0.122 0.000 1.077 336 V CB -0.171 31.449 31.823 -0.339 0.000 0.972 336 V HN 0.784 nan 8.190 nan 0.000 0.484 337 F N 1.456 121.452 119.950 0.077 0.000 2.778 337 F HA -0.313 4.215 4.527 0.002 0.000 0.399 337 F C 1.794 177.667 175.800 0.122 0.000 0.604 337 F CA 1.004 59.042 58.000 0.063 0.000 1.106 337 F CB -2.148 36.872 39.000 0.033 0.000 1.643 337 F HN 0.558 nan 8.300 nan 0.000 0.290 338 A N -0.008 123.033 122.820 0.368 0.000 2.121 338 A HA 0.119 4.440 4.320 0.002 0.000 0.218 338 A C 1.201 179.059 177.584 0.456 0.000 1.154 338 A CA 1.177 53.469 52.037 0.425 0.000 0.679 338 A CB -0.301 18.951 19.000 0.420 0.000 0.795 338 A HN 0.432 nan 8.150 nan 0.000 0.458 339 R N -3.035 117.682 120.500 0.361 0.000 2.690 339 R HA -0.182 4.160 4.340 0.002 0.000 0.306 339 R C 0.108 176.620 176.300 0.354 0.000 0.979 339 R CA 0.493 56.776 56.100 0.303 0.000 0.761 339 R CB -2.081 28.382 30.300 0.270 0.000 2.077 339 R HN 0.508 nan 8.270 nan 0.000 0.486 340 F N 1.261 121.318 119.950 0.178 0.000 2.009 340 F HA 0.000 4.529 4.527 0.002 0.000 0.293 340 F C 2.281 178.174 175.800 0.156 0.000 1.156 340 F CA 2.378 60.488 58.000 0.183 0.000 1.168 340 F CB -0.428 38.620 39.000 0.080 0.000 0.981 340 F HN 0.466 nan 8.300 nan 0.000 0.475 341 G N -0.762 108.104 108.800 0.111 0.000 3.186 341 G HA2 -0.072 3.889 3.960 0.002 0.000 0.214 341 G HA3 -0.072 3.889 3.960 0.002 0.000 0.214 341 G C 1.440 176.370 174.900 0.050 0.000 1.222 341 G CA 0.684 45.761 45.100 -0.039 0.000 0.921 341 G HN 0.429 nan 8.290 nan 0.000 0.504 342 S N -0.252 115.483 115.700 0.060 0.000 2.442 342 S HA 0.259 4.731 4.470 0.002 0.000 0.236 342 S C 1.156 175.844 174.600 0.147 0.000 1.007 342 S CA 1.091 59.346 58.200 0.091 0.000 0.965 342 S CB -0.053 63.191 63.200 0.073 0.000 0.773 342 S HN 0.808 nan 8.310 nan 0.000 0.504 343 A N 0.657 123.483 122.820 0.009 0.000 2.541 343 A HA 0.558 4.879 4.320 0.002 0.000 0.285 343 A C -0.778 176.750 177.584 -0.093 0.000 1.058 343 A CA -0.676 51.322 52.037 -0.065 0.000 0.886 343 A CB 0.566 19.488 19.000 -0.131 0.000 1.411 343 A HN 0.319 nan 8.150 nan 0.000 0.403 344 I N 1.537 122.052 120.570 -0.092 0.000 2.488 344 I HA 0.696 4.867 4.170 0.002 0.000 0.299 344 I C 0.601 176.647 176.117 -0.119 0.000 0.984 344 I CA -0.443 60.787 61.300 -0.117 0.000 1.250 344 I CB 2.027 39.966 38.000 -0.102 0.000 1.389 344 I HN 0.754 nan 8.210 nan 0.000 0.488 345 A N 6.721 129.465 122.820 -0.127 0.000 2.466 345 A HA 0.669 4.990 4.320 0.002 0.000 0.284 345 A C -2.854 174.666 177.584 -0.106 0.000 1.049 345 A CA -1.339 50.638 52.037 -0.101 0.000 0.760 345 A CB 1.113 20.069 19.000 -0.074 0.000 1.274 345 A HN 0.348 nan 8.150 nan 0.000 0.412 346 P HA 0.504 nan 4.420 nan 0.000 0.276 346 P C -0.636 176.646 177.300 -0.029 0.000 1.230 346 P CA 0.087 63.127 63.100 -0.101 0.000 0.776 346 P CB 0.746 32.391 31.700 -0.092 0.000 0.888 347 L N 1.544 122.757 121.223 -0.016 0.000 2.299 347 L HA 0.697 5.038 4.340 0.002 0.000 0.268 347 L C 1.634 178.511 176.870 0.012 0.000 1.012 347 L CA -0.427 54.423 54.840 0.017 0.000 0.816 347 L CB 0.442 42.520 42.059 0.032 0.000 1.355 347 L HN 0.366 nan 8.230 nan 0.000 0.457 348 G N -1.222 107.586 108.800 0.013 0.000 2.964 348 G HA2 0.018 3.979 3.960 0.002 0.000 0.191 348 G HA3 0.018 3.979 3.960 0.002 0.000 0.191 348 G C -0.738 174.186 174.900 0.040 0.000 1.978 348 G CA 0.232 45.338 45.100 0.009 0.000 0.861 348 G HN 0.535 nan 8.290 nan 0.000 0.584 349 D N 0.242 120.666 120.400 0.040 0.000 2.458 349 D HA 0.238 4.879 4.640 0.002 0.000 0.258 349 D C 1.207 177.563 176.300 0.093 0.000 1.134 349 D CA -0.662 53.383 54.000 0.075 0.000 0.915 349 D CB 1.029 41.859 40.800 0.051 0.000 1.028 349 D HN 0.019 nan 8.370 nan 0.000 0.508 350 L N 3.034 124.305 121.223 0.080 0.000 2.450 350 L HA -0.054 4.288 4.340 0.002 0.000 0.225 350 L C 0.749 177.631 176.870 0.021 0.000 1.145 350 L CA 1.751 56.620 54.840 0.049 0.000 0.801 350 L CB 0.027 42.095 42.059 0.016 0.000 0.924 350 L HN 0.403 nan 8.230 nan 0.000 0.447 351 D N -2.999 117.451 120.400 0.083 0.000 2.562 351 D HA 0.005 4.646 4.640 0.002 0.000 0.246 351 D C 0.756 177.225 176.300 0.282 0.000 1.347 351 D CA -0.035 53.997 54.000 0.054 0.000 0.800 351 D CB -0.225 40.525 40.800 -0.085 0.000 1.111 351 D HN 0.131 nan 8.370 nan 0.000 0.508 352 Q N 1.332 121.274 119.800 0.238 0.000 2.437 352 Q HA -0.245 4.097 4.340 0.002 0.000 0.274 352 Q C 0.134 176.203 176.000 0.114 0.000 1.165 352 Q CA 1.401 57.274 55.803 0.116 0.000 0.925 352 Q CB -1.811 26.928 28.738 0.003 0.000 1.327 352 Q HN 0.645 nan 8.270 nan 0.000 0.505 353 D N -2.796 117.697 120.400 0.156 0.000 2.363 353 D HA 0.163 4.804 4.640 0.002 0.000 0.220 353 D C 1.382 177.716 176.300 0.057 0.000 0.994 353 D CA 0.850 54.950 54.000 0.168 0.000 0.890 353 D CB 0.022 40.983 40.800 0.268 0.000 0.906 353 D HN 0.522 nan 8.370 nan 0.000 0.530 354 G N -1.492 107.273 108.800 -0.060 0.000 2.184 354 G HA2 -0.151 3.810 3.960 0.002 0.000 0.206 354 G HA3 -0.151 3.810 3.960 0.002 0.000 0.206 354 G C -0.175 174.333 174.900 -0.653 0.000 0.995 354 G CA -0.162 44.731 45.100 -0.346 0.000 0.651 354 G HN 0.255 nan 8.290 nan 0.000 0.511 355 F N 0.785 120.781 119.950 0.076 0.000 2.588 355 F HA 0.561 5.089 4.527 0.002 0.000 0.310 355 F C 0.089 175.940 175.800 0.083 0.000 1.082 355 F CA -1.361 56.688 58.000 0.083 0.000 0.929 355 F CB 1.350 40.411 39.000 0.102 0.000 1.254 355 F HN -0.126 nan 8.300 nan 0.000 0.455 356 N N 1.876 120.737 118.700 0.268 0.000 2.467 356 N HA 0.221 4.962 4.740 0.002 0.000 0.262 356 N C -1.020 174.592 175.510 0.171 0.000 1.234 356 N CA -0.094 53.056 53.050 0.166 0.000 0.952 356 N CB 0.805 39.361 38.487 0.113 0.000 1.158 356 N HN 0.536 nan 8.380 nan 0.000 0.463 357 D N 0.581 121.053 120.400 0.120 0.000 2.374 357 D HA 0.522 5.163 4.640 0.002 0.000 0.239 357 D C -0.150 176.181 176.300 0.053 0.000 0.991 357 D CA -0.309 53.766 54.000 0.125 0.000 0.960 357 D CB 2.252 43.134 40.800 0.137 0.000 1.284 357 D HN 0.291 nan 8.370 nan 0.000 0.512 358 I N 0.110 120.724 120.570 0.074 0.000 2.769 358 I HA 0.519 4.690 4.170 0.002 0.000 0.298 358 I C -1.385 174.794 176.117 0.103 0.000 1.128 358 I CA -0.661 60.615 61.300 -0.039 0.000 1.031 358 I CB 1.865 39.677 38.000 -0.314 0.000 1.235 358 I HN 0.464 nan 8.210 nan 0.000 0.423 359 A N 7.642 130.487 122.820 0.042 0.000 2.318 359 A HA 0.823 5.144 4.320 0.002 0.000 0.324 359 A C -1.027 176.592 177.584 0.059 0.000 1.170 359 A CA -0.461 51.650 52.037 0.124 0.000 0.810 359 A CB 0.789 19.821 19.000 0.054 0.000 1.198 359 A HN 0.592 nan 8.150 nan 0.000 0.484 360 I N 1.564 122.229 120.570 0.159 0.000 2.474 360 I HA 0.609 4.780 4.170 0.002 0.000 0.294 360 I C 0.355 176.501 176.117 0.047 0.000 1.005 360 I CA -0.484 60.774 61.300 -0.069 0.000 1.113 360 I CB 2.182 39.934 38.000 -0.414 0.000 1.289 360 I HN 0.703 nan 8.210 nan 0.000 0.436 361 A N 4.471 127.266 122.820 -0.041 0.000 2.342 361 A HA 0.868 5.189 4.320 0.002 0.000 0.323 361 A C -0.411 177.265 177.584 0.154 0.000 1.125 361 A CA -0.593 51.493 52.037 0.081 0.000 0.785 361 A CB 1.431 20.437 19.000 0.010 0.000 1.221 361 A HN 0.797 nan 8.150 nan 0.000 0.463 362 A N 4.112 127.128 122.820 0.328 0.000 2.923 362 A HA 0.649 4.970 4.320 0.002 0.000 0.343 362 A C -1.886 175.883 177.584 0.308 0.000 1.199 362 A CA -1.449 50.844 52.037 0.427 0.000 0.878 362 A CB 0.023 19.438 19.000 0.691 0.000 1.104 362 A HN 0.481 nan 8.150 nan 0.000 0.483 363 P HA -0.199 nan 4.420 nan 0.000 0.219 363 P C -0.125 177.005 177.300 -0.282 0.000 1.151 363 P CA 1.790 64.843 63.100 -0.079 0.000 0.850 363 P CB -0.097 31.503 31.700 -0.166 0.000 0.784 364 Y N -1.565 118.866 120.300 0.218 0.000 2.617 364 Y HA 0.578 5.129 4.550 0.002 0.000 0.328 364 Y C 1.006 177.024 175.900 0.197 0.000 0.946 364 Y CA -0.875 57.334 58.100 0.181 0.000 1.241 364 Y CB 0.306 38.858 38.460 0.153 0.000 1.226 364 Y HN -0.218 nan 8.280 nan 0.000 0.582 365 G N -0.493 108.487 108.800 0.301 0.000 2.482 365 G HA2 0.629 4.591 3.960 0.002 0.000 0.317 365 G HA3 0.629 4.591 3.960 0.002 0.000 0.317 365 G C -0.075 174.930 174.900 0.174 0.000 1.241 365 G CA -0.513 44.751 45.100 0.273 0.000 0.967 365 G HN 0.636 nan 8.290 nan 0.000 0.482 366 G N 0.722 109.611 108.800 0.149 0.000 2.690 366 G HA2 0.221 4.183 3.960 0.002 0.000 0.686 366 G HA3 0.221 4.183 3.960 0.002 0.000 0.686 366 G C 0.338 175.275 174.900 0.062 0.000 1.277 366 G CA 0.437 45.586 45.100 0.081 0.000 0.799 366 G HN 1.380 nan 8.290 nan 0.000 0.613 367 E N -0.099 120.121 120.200 0.033 0.000 3.548 367 E HA -0.260 4.091 4.350 0.002 0.000 0.475 367 E C 0.652 177.280 176.600 0.047 0.000 1.657 367 E CA 2.288 58.702 56.400 0.023 0.000 1.249 367 E CB -0.516 29.182 29.700 -0.004 0.000 1.236 367 E HN 0.765 nan 8.360 nan 0.000 0.402 368 D N 1.127 121.556 120.400 0.048 0.000 2.456 368 D HA 0.209 4.851 4.640 0.002 0.000 0.287 368 D C -0.614 175.739 176.300 0.088 0.000 1.186 368 D CA -0.070 53.970 54.000 0.066 0.000 0.916 368 D CB 0.341 41.172 40.800 0.051 0.000 1.029 368 D HN 0.321 nan 8.370 nan 0.000 0.498 369 K N 0.577 121.051 120.400 0.123 0.000 2.960 369 K HA -0.239 4.082 4.320 0.002 0.000 0.259 369 K C 1.110 177.777 176.600 0.111 0.000 1.025 369 K CA 0.558 56.946 56.287 0.169 0.000 0.756 369 K CB -0.549 32.082 32.500 0.219 0.000 1.221 369 K HN 0.285 nan 8.250 nan 0.000 0.483 370 K N 0.434 120.876 120.400 0.071 0.000 2.362 370 K HA -0.058 4.263 4.320 0.002 0.000 0.200 370 K C 0.968 177.591 176.600 0.037 0.000 1.046 370 K CA 1.026 57.336 56.287 0.038 0.000 0.952 370 K CB 0.032 32.519 32.500 -0.022 0.000 0.753 370 K HN 0.583 nan 8.250 nan 0.000 0.466 371 G N 1.229 110.068 108.800 0.065 0.000 2.907 371 G HA2 -0.161 3.800 3.960 0.002 0.000 0.686 371 G HA3 -0.161 3.800 3.960 0.002 0.000 0.686 371 G C -0.895 174.079 174.900 0.122 0.000 1.115 371 G CA -0.918 44.270 45.100 0.146 0.000 0.760 371 G HN 0.121 nan 8.290 nan 0.000 0.620 372 I N 0.895 121.582 120.570 0.195 0.000 2.656 372 I HA 0.549 4.720 4.170 0.002 0.000 0.292 372 I C -0.085 176.045 176.117 0.022 0.000 1.144 372 I CA -1.260 60.056 61.300 0.028 0.000 1.038 372 I CB 2.509 40.414 38.000 -0.157 0.000 1.244 372 I HN 0.446 nan 8.210 nan 0.000 0.420 373 V N 5.939 125.824 119.914 -0.048 0.000 2.487 373 V HA 0.424 4.545 4.120 0.002 0.000 0.298 373 V C -1.234 174.753 176.094 -0.177 0.000 1.028 373 V CA -0.660 61.626 62.300 -0.023 0.000 0.860 373 V CB 1.685 33.532 31.823 0.039 0.000 0.991 373 V HN 0.419 nan 8.190 nan 0.000 0.427 374 Y N 4.981 125.392 120.300 0.184 0.000 2.335 374 Y HA 0.680 5.232 4.550 0.002 0.000 0.338 374 Y C 0.124 176.112 175.900 0.147 0.000 0.977 374 Y CA -0.958 57.224 58.100 0.137 0.000 1.114 374 Y CB 1.677 40.331 38.460 0.322 0.000 1.182 374 Y HN 0.659 nan 8.280 nan 0.000 0.463 375 I N 1.134 121.774 120.570 0.117 0.000 2.336 375 I HA 0.598 4.769 4.170 0.002 0.000 0.292 375 I C -1.666 174.502 176.117 0.086 0.000 0.991 375 I CA -0.793 60.605 61.300 0.163 0.000 1.227 375 I CB 0.286 38.327 38.000 0.069 0.000 1.366 375 I HN 0.216 nan 8.210 nan 0.000 0.466 376 F N 5.090 125.134 119.950 0.156 0.000 2.444 376 F HA 0.525 5.054 4.527 0.002 0.000 0.342 376 F C 0.415 176.305 175.800 0.149 0.000 1.121 376 F CA -0.577 57.528 58.000 0.175 0.000 0.997 376 F CB 1.039 40.162 39.000 0.206 0.000 1.130 376 F HN 0.471 nan 8.300 nan 0.000 0.454 377 N N 1.261 120.140 118.700 0.299 0.000 2.524 377 N HA 0.396 5.138 4.740 0.002 0.000 0.283 377 N C 0.156 175.807 175.510 0.236 0.000 1.142 377 N CA -0.201 52.995 53.050 0.242 0.000 0.984 377 N CB 1.770 40.380 38.487 0.205 0.000 1.155 377 N HN 0.816 nan 8.380 nan 0.000 0.467 378 G N 0.180 109.109 108.800 0.215 0.000 2.437 378 G HA2 0.619 4.581 3.960 0.002 0.000 0.319 378 G HA3 0.619 4.581 3.960 0.002 0.000 0.319 378 G C -0.410 174.497 174.900 0.012 0.000 1.158 378 G CA -0.530 44.667 45.100 0.162 0.000 0.899 378 G HN 0.668 nan 8.290 nan 0.000 0.502 379 R N -0.379 119.990 120.500 -0.218 0.000 2.629 379 R HA 0.485 4.826 4.340 0.002 0.000 0.266 379 R C 0.798 176.677 176.300 -0.703 0.000 1.051 379 R CA 0.054 55.763 56.100 -0.652 0.000 0.895 379 R CB 0.895 31.047 30.300 -0.246 0.000 1.246 379 R HN 0.624 nan 8.270 nan 0.000 0.459 380 S N 1.206 116.252 115.700 -1.090 0.000 2.425 380 S HA -0.341 4.130 4.470 0.002 0.000 0.256 380 S C 1.837 176.343 174.600 -0.157 0.000 1.101 380 S CA 3.394 61.346 58.200 -0.414 0.000 1.188 380 S CB -0.847 62.264 63.200 -0.148 0.000 1.085 380 S HN 0.879 nan 8.310 nan 0.000 0.439 381 T N -2.086 112.396 114.554 -0.120 0.000 2.822 381 T HA 0.344 4.696 4.350 0.002 0.000 0.270 381 T C 1.382 176.068 174.700 -0.023 0.000 1.064 381 T CA 1.830 63.905 62.100 -0.042 0.000 1.131 381 T CB -0.812 68.044 68.868 -0.020 0.000 0.858 381 T HN 1.246 nan 8.240 nan 0.000 0.483 382 G N 0.787 109.565 108.800 -0.038 0.000 2.553 382 G HA2 0.350 4.311 3.960 0.002 0.000 0.106 382 G HA3 0.350 4.311 3.960 0.002 0.000 0.106 382 G C -1.869 173.056 174.900 0.041 0.000 1.126 382 G CA -0.420 44.687 45.100 0.012 0.000 1.075 382 G HN 0.817 nan 8.290 nan 0.000 0.472 383 L N 1.689 122.966 121.223 0.090 0.000 2.319 383 L HA 0.652 4.993 4.340 0.002 0.000 0.281 383 L C 0.119 177.098 176.870 0.182 0.000 1.005 383 L CA -0.617 54.321 54.840 0.163 0.000 0.828 383 L CB 1.226 43.421 42.059 0.227 0.000 1.227 383 L HN 0.696 nan 8.230 nan 0.000 0.415 384 N N 3.817 122.639 118.700 0.204 0.000 2.411 384 N HA 0.083 4.824 4.740 0.002 0.000 0.261 384 N C 0.696 176.413 175.510 0.346 0.000 1.248 384 N CA 0.486 53.674 53.050 0.230 0.000 0.885 384 N CB 1.058 39.682 38.487 0.227 0.000 1.062 384 N HN 0.912 nan 8.380 nan 0.000 0.471 385 A N 3.745 126.745 122.820 0.300 0.000 2.359 385 A HA 0.186 4.507 4.320 0.002 0.000 0.240 385 A C -0.189 177.650 177.584 0.425 0.000 1.306 385 A CA -0.138 52.132 52.037 0.389 0.000 0.898 385 A CB -0.040 19.099 19.000 0.232 0.000 0.956 385 A HN 0.429 nan 8.150 nan 0.000 0.497 386 V N 2.135 122.239 119.914 0.316 0.000 2.325 386 V HA 0.253 4.374 4.120 0.002 0.000 0.280 386 V C -2.453 173.620 176.094 -0.036 0.000 1.016 386 V CA -2.074 60.326 62.300 0.166 0.000 0.818 386 V CB 1.143 33.053 31.823 0.145 0.000 1.019 386 V HN 0.337 nan 8.190 nan 0.000 0.434 387 P HA -0.083 nan 4.420 nan 0.000 0.255 387 P C 0.999 178.186 177.300 -0.189 0.000 1.151 387 P CA 0.751 63.519 63.100 -0.553 0.000 0.767 387 P CB 0.790 32.247 31.700 -0.406 0.000 0.736 388 S N 2.009 117.635 115.700 -0.123 0.000 2.470 388 S HA -0.047 4.424 4.470 0.002 0.000 0.225 388 S C 0.732 175.335 174.600 0.006 0.000 1.006 388 S CA 0.305 58.501 58.200 -0.007 0.000 0.934 388 S CB -0.015 63.224 63.200 0.065 0.000 0.778 388 S HN 0.646 nan 8.310 nan 0.000 0.517 389 Q N -0.707 119.074 119.800 -0.031 0.000 2.462 389 Q HA 0.677 5.018 4.340 0.002 0.000 0.285 389 Q C -2.130 173.837 176.000 -0.055 0.000 1.035 389 Q CA -0.871 54.918 55.803 -0.024 0.000 0.799 389 Q CB 1.906 30.639 28.738 -0.009 0.000 1.452 389 Q HN 0.457 nan 8.270 nan 0.000 0.404 390 I N 2.946 123.467 120.570 -0.081 0.000 2.468 390 I HA 0.293 4.464 4.170 0.002 0.000 0.285 390 I C -1.141 174.879 176.117 -0.162 0.000 1.039 390 I CA -0.802 60.406 61.300 -0.154 0.000 1.074 390 I CB 1.626 39.530 38.000 -0.159 0.000 1.228 390 I HN 0.403 nan 8.210 nan 0.000 0.436 391 L N 5.992 127.106 121.223 -0.182 0.000 2.264 391 L HA 0.440 4.782 4.340 0.002 0.000 0.289 391 L C 0.007 176.774 176.870 -0.171 0.000 1.044 391 L CA -0.153 54.592 54.840 -0.158 0.000 0.807 391 L CB 1.144 43.094 42.059 -0.182 0.000 1.192 391 L HN 0.635 nan 8.230 nan 0.000 0.425 392 E N 1.509 121.551 120.200 -0.264 0.000 2.133 392 E HA 0.400 4.752 4.350 0.002 0.000 0.274 392 E C 0.270 176.432 176.600 -0.730 0.000 0.930 392 E CA -0.492 55.676 56.400 -0.386 0.000 0.770 392 E CB 1.570 31.130 29.700 -0.234 0.000 1.104 392 E HN 0.763 nan 8.360 nan 0.000 0.403 393 G N 2.705 110.790 108.800 -1.193 0.000 2.305 393 G HA2 -0.006 3.955 3.960 0.002 0.000 0.243 393 G HA3 -0.006 3.955 3.960 0.002 0.000 0.243 393 G C -0.191 174.411 174.900 -0.498 0.000 1.288 393 G CA -0.254 44.030 45.100 -1.360 0.000 0.901 393 G HN 0.470 nan 8.290 nan 0.000 0.516 394 Q N 0.827 120.378 119.800 -0.415 0.000 2.640 394 Q HA 0.411 4.753 4.340 0.002 0.000 0.389 394 Q C -1.249 174.254 176.000 -0.829 0.000 1.012 394 Q CA -0.408 55.066 55.803 -0.548 0.000 1.060 394 Q CB 0.276 28.658 28.738 -0.594 0.000 1.332 394 Q HN 0.610 nan 8.270 nan 0.000 0.418 395 W N 0.121 121.391 121.300 -0.051 0.000 3.211 395 W HA 0.733 5.395 4.660 0.002 0.000 0.335 395 W C -0.654 175.861 176.519 -0.007 0.000 1.113 395 W CA -1.184 56.159 57.345 -0.004 0.000 1.235 395 W CB 1.189 30.674 29.460 0.042 0.000 1.365 395 W HN 0.180 nan 8.180 nan 0.000 0.476 396 A N 1.884 124.826 122.820 0.203 0.000 2.271 396 A HA 0.881 5.202 4.320 0.002 0.000 0.288 396 A C 0.476 178.136 177.584 0.127 0.000 1.094 396 A CA 0.016 52.127 52.037 0.123 0.000 0.828 396 A CB 0.383 19.429 19.000 0.076 0.000 1.091 396 A HN 0.876 nan 8.150 nan 0.000 0.493 397 A N 0.132 123.003 122.820 0.084 0.000 2.267 397 A HA 0.610 4.931 4.320 0.002 0.000 0.276 397 A C 1.131 178.750 177.584 0.059 0.000 1.336 397 A CA 0.571 52.645 52.037 0.062 0.000 0.815 397 A CB 0.124 19.154 19.000 0.051 0.000 1.256 397 A HN 1.331 nan 8.150 nan 0.000 0.512 398 R N -3.150 117.378 120.500 0.047 0.000 2.170 398 R HA 0.155 4.497 4.340 0.002 0.000 0.153 398 R C 0.387 176.713 176.300 0.043 0.000 0.724 398 R CA 0.785 56.913 56.100 0.046 0.000 1.379 398 R CB -0.450 29.880 30.300 0.050 0.000 1.439 398 R HN 0.855 nan 8.270 nan 0.000 0.456 399 S N 0.025 115.751 115.700 0.043 0.000 2.099 399 S HA 0.281 4.752 4.470 0.002 0.000 0.253 399 S C -0.257 174.374 174.600 0.052 0.000 0.937 399 S CA 0.255 58.485 58.200 0.050 0.000 1.507 399 S CB 0.354 63.590 63.200 0.061 0.000 1.110 399 S HN 0.408 nan 8.310 nan 0.000 0.532 400 M N 1.181 120.802 119.600 0.036 0.000 2.694 400 M HA 0.597 5.079 4.480 0.002 0.000 0.276 400 M C -3.083 173.212 176.300 -0.010 0.000 1.167 400 M CA -1.220 54.094 55.300 0.024 0.000 0.849 400 M CB 1.526 34.142 32.600 0.026 0.000 1.705 400 M HN -0.123 nan 8.290 nan 0.000 0.504 401 P HA 0.119 nan 4.420 nan 0.000 0.262 401 P C -2.280 174.934 177.300 -0.143 0.000 1.182 401 P CA -0.445 62.670 63.100 0.026 0.000 0.761 401 P CB 0.012 31.862 31.700 0.250 0.000 0.795 402 P HA -0.214 nan 4.420 nan 0.000 0.216 402 P C 0.388 177.531 177.300 -0.262 0.000 1.154 402 P CA 1.353 64.384 63.100 -0.116 0.000 0.865 402 P CB -0.288 31.445 31.700 0.054 0.000 0.789 403 S N -2.982 112.558 115.700 -0.267 0.000 3.576 403 S HA -0.204 4.268 4.470 0.002 0.000 0.294 403 S C 0.091 174.648 174.600 -0.073 0.000 1.224 403 S CA -0.041 57.945 58.200 -0.356 0.000 0.866 403 S CB -2.860 59.976 63.200 -0.607 0.000 1.017 403 S HN 0.325 nan 8.310 nan 0.000 0.597 404 F N 2.297 122.192 119.950 -0.091 0.000 2.623 404 F HA 0.336 4.865 4.527 0.003 0.000 0.386 404 F C 1.473 177.283 175.800 0.017 0.000 1.068 404 F CA 1.866 59.879 58.000 0.022 0.000 1.265 404 F CB -0.054 38.994 39.000 0.081 0.000 1.026 404 F HN 0.561 nan 8.300 nan 0.000 0.568 405 G N 4.356 112.884 108.800 -0.452 0.000 2.199 405 G HA2 -0.427 3.535 3.960 0.002 0.000 0.254 405 G HA3 -0.427 3.535 3.960 0.002 0.000 0.254 405 G C 0.794 175.643 174.900 -0.085 0.000 0.982 405 G CA 0.417 45.343 45.100 -0.291 0.000 0.632 405 G HN 0.868 nan 8.290 nan 0.000 0.529 406 Y N 2.410 122.638 120.300 -0.120 0.000 2.384 406 Y HA 0.219 4.770 4.550 0.002 0.000 0.289 406 Y C 1.486 177.308 175.900 -0.130 0.000 1.152 406 Y CA 2.062 60.132 58.100 -0.050 0.000 1.258 406 Y CB 0.173 38.660 38.460 0.044 0.000 0.979 406 Y HN 0.712 nan 8.280 nan 0.000 0.549 407 S N 0.498 116.153 115.700 -0.077 0.000 2.556 407 S HA 0.721 5.192 4.470 0.002 0.000 0.271 407 S C -0.906 173.591 174.600 -0.173 0.000 1.135 407 S CA -0.676 57.423 58.200 -0.168 0.000 0.858 407 S CB 2.105 65.201 63.200 -0.173 0.000 1.114 407 S HN 0.289 nan 8.310 nan 0.000 0.468 408 M N -0.036 119.464 119.600 -0.166 0.000 2.389 408 M HA 0.598 5.079 4.480 0.002 0.000 0.287 408 M C -1.893 174.336 176.300 -0.118 0.000 1.063 408 M CA -0.744 54.464 55.300 -0.153 0.000 0.913 408 M CB 1.512 34.023 32.600 -0.149 0.000 1.883 408 M HN 0.605 nan 8.290 nan 0.000 0.508 409 K N 1.395 121.721 120.400 -0.123 0.000 2.259 409 K HA 0.971 5.293 4.320 0.002 0.000 0.249 409 K C -0.465 176.179 176.600 0.074 0.000 0.942 409 K CA 0.114 56.369 56.287 -0.053 0.000 0.816 409 K CB 2.385 34.813 32.500 -0.120 0.000 1.155 409 K HN 0.905 nan 8.250 nan 0.000 0.428 410 G N 0.256 109.173 108.800 0.195 0.000 3.195 410 G HA2 0.505 4.467 3.960 0.002 0.000 0.217 410 G HA3 0.505 4.467 3.960 0.002 0.000 0.217 410 G C -0.596 174.433 174.900 0.216 0.000 1.166 410 G CA -0.281 44.982 45.100 0.271 0.000 0.812 410 G HN 1.138 nan 8.290 nan 0.000 0.617 411 A N -1.547 121.307 122.820 0.057 0.000 2.798 411 A HA -0.028 4.293 4.320 0.002 0.000 0.282 411 A C 0.493 177.960 177.584 -0.195 0.000 1.464 411 A CA 1.791 53.803 52.037 -0.043 0.000 0.844 411 A CB -2.204 16.788 19.000 -0.013 0.000 1.006 411 A HN 1.536 nan 8.150 nan 0.000 0.577 412 T N -0.267 114.035 114.554 -0.421 0.000 2.991 412 T HA 0.453 4.805 4.350 0.002 0.000 0.303 412 T C -0.903 173.378 174.700 -0.698 0.000 1.015 412 T CA 0.165 61.794 62.100 -0.785 0.000 1.007 412 T CB 1.460 69.313 68.868 -1.692 0.000 1.034 412 T HN 0.466 nan 8.240 nan 0.000 0.446 413 D N 3.231 123.373 120.400 -0.430 0.000 2.564 413 D HA 0.133 4.775 4.640 0.002 0.000 0.226 413 D C 1.035 177.146 176.300 -0.316 0.000 1.149 413 D CA -0.557 53.269 54.000 -0.291 0.000 0.994 413 D CB -0.159 40.538 40.800 -0.173 0.000 1.029 413 D HN 0.573 nan 8.370 nan 0.000 0.517 414 I N 1.697 122.024 120.570 -0.405 0.000 3.384 414 I HA -0.127 4.044 4.170 0.002 0.000 0.310 414 I C -0.386 175.424 176.117 -0.512 0.000 1.279 414 I CA 0.690 61.736 61.300 -0.423 0.000 1.283 414 I CB -0.322 37.418 38.000 -0.433 0.000 1.011 414 I HN 0.446 nan 8.210 nan 0.000 0.566 415 D N -2.141 118.081 120.400 -0.296 0.000 3.309 415 D HA 0.161 4.802 4.640 0.002 0.000 0.335 415 D C 0.528 176.841 176.300 0.021 0.000 1.393 415 D CA -0.577 53.369 54.000 -0.089 0.000 0.963 415 D CB 0.461 41.224 40.800 -0.060 0.000 1.431 415 D HN -0.287 nan 8.370 nan 0.000 0.583 416 K N 0.696 121.161 120.400 0.108 0.000 1.987 416 K HA 0.044 4.365 4.320 0.002 0.000 0.222 416 K C 0.503 177.129 176.600 0.043 0.000 1.029 416 K CA 1.126 57.459 56.287 0.075 0.000 1.011 416 K CB -1.123 31.437 32.500 0.100 0.000 0.769 416 K HN 0.697 nan 8.250 nan 0.000 0.444 417 N N 1.526 120.274 118.700 0.080 0.000 1.830 417 N HA -0.133 4.608 4.740 0.002 0.000 0.322 417 N C 0.468 176.002 175.510 0.039 0.000 1.272 417 N CA 1.112 54.230 53.050 0.113 0.000 0.789 417 N CB 0.029 38.653 38.487 0.228 0.000 1.014 417 N HN 0.434 nan 8.380 nan 0.000 0.502 418 G N 1.738 110.469 108.800 -0.115 0.000 3.327 418 G HA2 0.008 3.970 3.960 0.002 0.000 0.218 418 G HA3 0.008 3.970 3.960 0.002 0.000 0.218 418 G C -0.699 173.911 174.900 -0.482 0.000 1.261 418 G CA 0.000 44.924 45.100 -0.294 0.000 1.438 418 G HN 0.682 nan 8.290 nan 0.000 0.530 419 Y N -1.548 118.716 120.300 -0.060 0.000 2.462 419 Y HA 0.379 4.930 4.550 0.003 0.000 0.346 419 Y C -1.904 173.946 175.900 -0.084 0.000 0.976 419 Y CA -2.468 55.591 58.100 -0.067 0.000 1.044 419 Y CB 1.798 40.220 38.460 -0.064 0.000 1.230 419 Y HN -0.056 nan 8.280 nan 0.000 0.455 420 P HA -0.025 nan 4.420 nan 0.000 0.288 420 P C -0.871 176.428 177.300 -0.001 0.000 1.320 420 P CA 0.763 63.851 63.100 -0.019 0.000 0.862 420 P CB 0.466 32.167 31.700 0.001 0.000 1.369 421 D N -3.348 117.068 120.400 0.027 0.000 2.764 421 D HA 0.476 5.118 4.640 0.002 0.000 0.293 421 D C -1.593 174.843 176.300 0.227 0.000 1.287 421 D CA -0.236 53.832 54.000 0.113 0.000 0.768 421 D CB 0.660 41.517 40.800 0.095 0.000 1.288 421 D HN 0.096 nan 8.370 nan 0.000 0.426 422 L N 0.719 122.090 121.223 0.246 0.000 2.493 422 L HA 0.593 4.935 4.340 0.002 0.000 0.265 422 L C -1.634 175.322 176.870 0.144 0.000 0.954 422 L CA -0.339 54.621 54.840 0.200 0.000 0.844 422 L CB 1.604 43.743 42.059 0.133 0.000 1.302 422 L HN 0.420 nan 8.230 nan 0.000 0.405 423 I N 4.747 125.301 120.570 -0.027 0.000 2.525 423 I HA 0.738 4.910 4.170 0.002 0.000 0.301 423 I C -0.840 175.227 176.117 -0.083 0.000 0.992 423 I CA -1.080 60.151 61.300 -0.115 0.000 1.162 423 I CB 1.945 39.718 38.000 -0.378 0.000 1.332 423 I HN 0.286 nan 8.210 nan 0.000 0.458 424 V N 3.023 122.898 119.914 -0.064 0.000 2.851 424 V HA 0.698 4.819 4.120 0.002 0.000 0.307 424 V C -0.124 175.865 176.094 -0.174 0.000 1.129 424 V CA -0.500 61.687 62.300 -0.190 0.000 0.932 424 V CB 2.114 33.740 31.823 -0.328 0.000 1.024 424 V HN 0.941 nan 8.190 nan 0.000 0.426 425 G N 2.308 110.993 108.800 -0.193 0.000 2.590 425 G HA2 0.693 4.654 3.960 0.002 0.000 0.310 425 G HA3 0.693 4.654 3.960 0.002 0.000 0.310 425 G C -0.612 174.267 174.900 -0.034 0.000 1.347 425 G CA -0.251 44.791 45.100 -0.096 0.000 0.963 425 G HN 1.138 nan 8.290 nan 0.000 0.494 426 A N 2.516 125.351 122.820 0.025 0.000 2.540 426 A HA 0.503 4.824 4.320 0.002 0.000 0.340 426 A C 0.569 178.165 177.584 0.020 0.000 1.424 426 A CA -0.792 51.261 52.037 0.028 0.000 0.940 426 A CB -0.305 18.753 19.000 0.096 0.000 1.149 426 A HN 1.287 nan 8.150 nan 0.000 0.505 427 F N 1.240 121.160 119.950 -0.051 0.000 2.699 427 F HA 0.201 4.730 4.527 0.003 0.000 0.298 427 F C 1.408 177.162 175.800 -0.077 0.000 1.154 427 F CA 0.753 58.730 58.000 -0.039 0.000 1.457 427 F CB -0.234 38.738 39.000 -0.047 0.000 1.106 427 F HN 0.381 nan 8.300 nan 0.000 0.585 428 G N 1.197 109.615 108.800 -0.637 0.000 2.394 428 G HA2 -0.141 3.821 3.960 0.002 0.000 0.215 428 G HA3 -0.141 3.821 3.960 0.002 0.000 0.215 428 G C 1.406 176.228 174.900 -0.130 0.000 1.165 428 G CA 1.207 46.030 45.100 -0.461 0.000 0.784 428 G HN 0.480 nan 8.290 nan 0.000 0.535 429 V N -2.349 117.507 119.914 -0.098 0.000 3.649 429 V HA 0.215 4.337 4.120 0.002 0.000 0.275 429 V C -0.149 175.907 176.094 -0.063 0.000 1.281 429 V CA -0.091 62.170 62.300 -0.064 0.000 1.143 429 V CB -0.545 31.221 31.823 -0.096 0.000 0.892 429 V HN 0.214 nan 8.190 nan 0.000 0.441 430 D N 2.005 122.426 120.400 0.035 0.000 3.620 430 D HA -0.139 4.503 4.640 0.002 0.000 0.237 430 D C 0.161 176.535 176.300 0.124 0.000 1.111 430 D CA 1.513 55.611 54.000 0.163 0.000 1.070 430 D CB -0.536 40.335 40.800 0.117 0.000 0.891 430 D HN 0.990 nan 8.370 nan 0.000 0.412 431 R N -1.451 119.231 120.500 0.303 0.000 3.012 431 R HA 0.842 5.183 4.340 0.002 0.000 0.287 431 R C -1.756 174.707 176.300 0.271 0.000 0.990 431 R CA -0.954 55.324 56.100 0.297 0.000 0.839 431 R CB 0.578 30.728 30.300 -0.250 0.000 1.317 431 R HN 0.334 nan 8.270 nan 0.000 0.518 432 A N 0.794 123.814 122.820 0.334 0.000 2.539 432 A HA 0.852 5.173 4.320 0.002 0.000 0.296 432 A C -1.521 176.212 177.584 0.248 0.000 1.073 432 A CA -0.795 51.340 52.037 0.164 0.000 0.700 432 A CB 1.473 20.475 19.000 0.003 0.000 1.296 432 A HN 0.434 nan 8.150 nan 0.000 0.405 433 I N 0.532 121.218 120.570 0.192 0.000 2.647 433 I HA 0.482 4.654 4.170 0.002 0.000 0.295 433 I C -0.657 175.529 176.117 0.114 0.000 1.078 433 I CA -0.286 61.130 61.300 0.194 0.000 1.048 433 I CB 2.046 40.157 38.000 0.185 0.000 1.239 433 I HN 0.624 nan 8.210 nan 0.000 0.421 434 L N 5.889 127.165 121.223 0.088 0.000 2.298 434 L HA 0.538 4.879 4.340 0.002 0.000 0.284 434 L C -1.508 175.373 176.870 0.018 0.000 1.013 434 L CA -0.597 54.299 54.840 0.093 0.000 0.824 434 L CB 0.743 42.884 42.059 0.136 0.000 1.221 434 L HN 0.499 nan 8.230 nan 0.000 0.418 435 Y N 4.406 124.778 120.300 0.120 0.000 2.326 435 Y HA 0.410 4.961 4.550 0.002 0.000 0.337 435 Y C 0.196 176.144 175.900 0.080 0.000 1.023 435 Y CA -0.532 57.635 58.100 0.111 0.000 1.143 435 Y CB 1.093 39.614 38.460 0.102 0.000 1.183 435 Y HN 0.412 nan 8.280 nan 0.000 0.485 436 R N 2.383 122.994 120.500 0.185 0.000 2.229 436 R HA 0.630 4.972 4.340 0.002 0.000 0.328 436 R C -0.166 176.181 176.300 0.078 0.000 1.009 436 R CA -0.806 55.363 56.100 0.115 0.000 0.864 436 R CB 1.149 31.518 30.300 0.115 0.000 1.085 436 R HN 0.783 nan 8.270 nan 0.000 0.453 437 A N 3.871 126.712 122.820 0.036 0.000 2.520 437 A HA 0.102 4.424 4.320 0.002 0.000 0.235 437 A C 0.142 177.655 177.584 -0.119 0.000 1.065 437 A CA 0.080 52.082 52.037 -0.058 0.000 0.764 437 A CB 0.317 19.279 19.000 -0.063 0.000 1.002 437 A HN 0.698 nan 8.150 nan 0.000 0.502 438 R N 1.430 121.793 120.500 -0.228 0.000 2.536 438 R HA 0.442 4.783 4.340 0.002 0.000 0.279 438 R C -2.722 173.265 176.300 -0.522 0.000 1.001 438 R CA -1.697 54.260 56.100 -0.238 0.000 1.027 438 R CB 0.538 30.741 30.300 -0.162 0.000 1.096 438 R HN 0.421 nan 8.270 nan 0.000 0.502 439 P HA 0.048 nan 4.420 nan 0.000 0.281 439 P C -0.665 176.441 177.300 -0.323 0.000 1.286 439 P CA -0.206 62.620 63.100 -0.457 0.000 0.772 439 P CB 0.721 32.441 31.700 0.033 0.000 0.862 440 V N 5.767 125.431 119.914 -0.418 0.000 2.740 440 V HA 0.105 4.227 4.120 0.002 0.000 0.303 440 V C 0.725 176.879 176.094 0.100 0.000 1.054 440 V CA 0.369 62.623 62.300 -0.077 0.000 1.106 440 V CB 0.101 31.942 31.823 0.029 0.000 0.957 440 V HN 0.385 nan 8.190 nan 0.000 0.486 441 I N 3.208 123.858 120.570 0.133 0.000 2.447 441 I HA 0.335 4.506 4.170 0.002 0.000 0.287 441 I C -0.112 176.116 176.117 0.184 0.000 1.023 441 I CA -0.306 61.088 61.300 0.157 0.000 1.083 441 I CB 1.934 40.022 38.000 0.146 0.000 1.245 441 I HN 0.492 nan 8.210 nan 0.000 0.434 442 T N 5.977 120.632 114.554 0.169 0.000 2.767 442 T HA 0.505 4.857 4.350 0.002 0.000 0.288 442 T C -0.104 174.683 174.700 0.145 0.000 0.963 442 T CA -0.515 61.678 62.100 0.155 0.000 1.019 442 T CB 1.550 70.494 68.868 0.127 0.000 0.923 442 T HN 0.474 nan 8.240 nan 0.000 0.468 443 V N 1.600 121.605 119.914 0.151 0.000 2.823 443 V HA 0.703 4.824 4.120 0.002 0.000 0.312 443 V C -0.881 175.221 176.094 0.013 0.000 1.072 443 V CA -1.049 61.295 62.300 0.074 0.000 0.937 443 V CB 2.027 33.930 31.823 0.134 0.000 1.013 443 V HN 0.875 nan 8.190 nan 0.000 0.430 444 N N 1.790 120.421 118.700 -0.115 0.000 2.269 444 N HA 0.846 5.587 4.740 0.002 0.000 0.304 444 N C -0.809 174.550 175.510 -0.251 0.000 1.072 444 N CA -0.504 52.485 53.050 -0.102 0.000 0.802 444 N CB 2.229 40.681 38.487 -0.059 0.000 1.348 444 N HN 1.173 nan 8.380 nan 0.000 0.484 445 A N 0.684 123.401 122.820 -0.172 0.000 2.386 445 A HA 0.849 5.171 4.320 0.002 0.000 0.311 445 A C -0.358 177.187 177.584 -0.065 0.000 1.068 445 A CA -0.641 51.268 52.037 -0.213 0.000 0.743 445 A CB 1.424 20.321 19.000 -0.171 0.000 1.258 445 A HN 0.642 nan 8.150 nan 0.000 0.429 446 G N -0.421 108.347 108.800 -0.052 0.000 2.481 446 G HA2 0.670 4.632 3.960 0.002 0.000 0.315 446 G HA3 0.670 4.632 3.960 0.002 0.000 0.315 446 G C -1.683 173.244 174.900 0.045 0.000 1.231 446 G CA -0.490 44.607 45.100 -0.005 0.000 0.968 446 G HN 1.361 nan 8.290 nan 0.000 0.482 447 L N 0.622 121.879 121.223 0.058 0.000 2.737 447 L HA 0.683 5.024 4.340 0.002 0.000 0.261 447 L C -1.319 175.599 176.870 0.080 0.000 0.949 447 L CA -0.510 54.386 54.840 0.093 0.000 0.952 447 L CB 2.018 44.132 42.059 0.091 0.000 1.337 447 L HN 0.531 nan 8.230 nan 0.000 0.430 448 E N 2.310 122.561 120.200 0.084 0.000 2.317 448 E HA 0.752 5.103 4.350 0.002 0.000 0.270 448 E C -1.521 175.148 176.600 0.115 0.000 0.885 448 E CA -0.479 55.971 56.400 0.083 0.000 0.760 448 E CB 2.767 32.509 29.700 0.069 0.000 1.227 448 E HN 0.324 nan 8.360 nan 0.000 0.434 449 V N 5.276 125.265 119.914 0.125 0.000 2.394 449 V HA 0.151 4.272 4.120 0.002 0.000 0.282 449 V C 1.040 177.288 176.094 0.257 0.000 1.031 449 V CA -0.328 62.087 62.300 0.192 0.000 0.881 449 V CB 0.843 32.713 31.823 0.078 0.000 0.982 449 V HN 0.809 nan 8.190 nan 0.000 0.451 450 Y N 4.387 124.788 120.300 0.169 0.000 1.956 450 Y HA -0.165 4.386 4.550 0.002 0.000 0.258 450 Y C -0.864 175.094 175.900 0.097 0.000 1.152 450 Y CA 1.174 59.350 58.100 0.126 0.000 1.093 450 Y CB -0.294 38.254 38.460 0.145 0.000 0.945 450 Y HN 0.482 nan 8.280 nan 0.000 0.488 451 P HA 0.133 nan 4.420 nan 0.000 0.296 451 P C -0.137 177.176 177.300 0.022 0.000 1.306 451 P CA 0.043 63.197 63.100 0.092 0.000 0.818 451 P CB 1.975 33.737 31.700 0.102 0.000 0.969 452 S N 3.116 118.812 115.700 -0.007 0.000 2.345 452 S HA 0.026 4.497 4.470 0.002 0.000 0.219 452 S C 0.945 175.465 174.600 -0.134 0.000 1.031 452 S CA 0.738 58.900 58.200 -0.062 0.000 0.984 452 S CB -0.224 62.961 63.200 -0.025 0.000 0.874 452 S HN 0.308 nan 8.310 nan 0.000 0.451 453 I N 3.623 124.135 120.570 -0.097 0.000 2.307 453 I HA 0.294 4.466 4.170 0.002 0.000 0.287 453 I C -0.515 175.566 176.117 -0.059 0.000 1.054 453 I CA -0.239 60.998 61.300 -0.104 0.000 1.218 453 I CB 0.418 38.378 38.000 -0.068 0.000 1.398 453 I HN 0.264 nan 8.210 nan 0.000 0.475 454 L N 6.011 127.180 121.223 -0.089 0.000 2.534 454 L HA 0.075 4.416 4.340 0.002 0.000 0.271 454 L C 0.797 177.685 176.870 0.029 0.000 1.178 454 L CA 0.268 55.090 54.840 -0.030 0.000 0.907 454 L CB -0.182 41.831 42.059 -0.075 0.000 1.164 454 L HN 0.604 nan 8.230 nan 0.000 0.482 455 N N 2.635 121.367 118.700 0.053 0.000 2.462 455 N HA 0.057 4.798 4.740 0.002 0.000 0.242 455 N C 0.932 176.489 175.510 0.078 0.000 1.010 455 N CA -0.594 52.491 53.050 0.059 0.000 0.939 455 N CB 0.764 39.278 38.487 0.045 0.000 1.127 455 N HN 0.583 nan 8.380 nan 0.000 0.509 456 Q N 1.870 121.723 119.800 0.089 0.000 2.103 456 Q HA -0.283 4.058 4.340 0.002 0.000 0.213 456 Q C 0.565 176.608 176.000 0.070 0.000 1.008 456 Q CA 2.113 57.975 55.803 0.098 0.000 0.879 456 Q CB -0.249 28.537 28.738 0.078 0.000 0.946 456 Q HN 0.778 nan 8.270 nan 0.000 0.413 457 D N 0.653 121.081 120.400 0.047 0.000 2.087 457 D HA -0.134 4.508 4.640 0.002 0.000 0.218 457 D C 0.519 176.842 176.300 0.038 0.000 0.982 457 D CA 0.473 54.492 54.000 0.033 0.000 0.900 457 D CB -0.316 40.497 40.800 0.022 0.000 1.072 457 D HN 0.107 nan 8.370 nan 0.000 0.459 458 N N 0.638 119.358 118.700 0.034 0.000 1.939 458 N HA -0.192 4.549 4.740 0.002 0.000 0.301 458 N C -1.246 174.291 175.510 0.045 0.000 1.353 458 N CA 0.610 53.680 53.050 0.033 0.000 0.851 458 N CB -0.320 38.185 38.487 0.031 0.000 1.153 458 N HN 0.339 nan 8.380 nan 0.000 0.496 459 K N 1.386 121.808 120.400 0.036 0.000 2.895 459 K HA 0.199 4.521 4.320 0.002 0.000 0.191 459 K C -0.045 176.569 176.600 0.024 0.000 1.117 459 K CA -0.869 55.442 56.287 0.041 0.000 0.988 459 K CB 0.054 32.580 32.500 0.042 0.000 1.181 459 K HN 0.448 nan 8.250 nan 0.000 0.598 460 T N -1.113 113.457 114.554 0.027 0.000 2.729 460 T HA 0.185 4.536 4.350 0.002 0.000 0.298 460 T C 0.490 175.198 174.700 0.012 0.000 1.013 460 T CA 0.193 62.302 62.100 0.016 0.000 0.957 460 T CB 0.839 69.719 68.868 0.019 0.000 1.130 460 T HN 1.074 nan 8.240 nan 0.000 0.526 461 c N 1.358 119.960 118.600 0.002 0.000 1.143 461 c HA -0.015 4.557 4.570 0.002 0.000 0.182 461 c C 0.235 174.296 174.090 -0.049 0.000 0.512 461 c CA 0.386 56.708 56.329 -0.013 0.000 2.768 461 c CB -2.310 40.207 42.510 0.011 0.000 2.407 461 c HN 1.153 nan 8.230 nan 0.000 0.669 462 S N 4.804 120.459 115.700 -0.075 0.000 2.608 462 S HA 0.755 5.226 4.470 0.002 0.000 0.291 462 S C 0.645 175.141 174.600 -0.173 0.000 1.146 462 S CA -0.493 57.643 58.200 -0.106 0.000 1.043 462 S CB 1.007 64.160 63.200 -0.078 0.000 1.037 462 S HN 0.759 nan 8.310 nan 0.000 0.520 463 L N 3.593 124.688 121.223 -0.213 0.000 2.172 463 L HA 0.086 4.427 4.340 0.002 0.000 0.176 463 L C -0.873 175.864 176.870 -0.221 0.000 0.986 463 L CA -0.347 54.325 54.840 -0.281 0.000 0.936 463 L CB -0.329 41.561 42.059 -0.282 0.000 1.222 463 L HN 0.578 nan 8.230 nan 0.000 0.542 464 P HA 0.075 nan 4.420 nan 0.000 0.201 464 P C 1.016 178.286 177.300 -0.050 0.000 1.153 464 P CA 0.793 63.828 63.100 -0.107 0.000 0.894 464 P CB 0.036 31.702 31.700 -0.056 0.000 0.736 465 G N 0.663 109.444 108.800 -0.031 0.000 2.679 465 G HA2 -0.083 3.879 3.960 0.002 0.000 0.214 465 G HA3 -0.083 3.879 3.960 0.002 0.000 0.214 465 G C 0.237 175.120 174.900 -0.028 0.000 1.315 465 G CA 0.969 46.060 45.100 -0.015 0.000 0.836 465 G HN 0.289 nan 8.290 nan 0.000 0.580 466 T N 2.440 116.972 114.554 -0.036 0.000 2.800 466 T HA 0.420 4.772 4.350 0.002 0.000 0.266 466 T C 0.667 175.334 174.700 -0.056 0.000 0.939 466 T CA 0.249 62.326 62.100 -0.038 0.000 1.199 466 T CB 0.453 69.298 68.868 -0.037 0.000 0.899 466 T HN 0.559 nan 8.240 nan 0.000 0.555 467 A N 5.177 127.970 122.820 -0.045 0.000 2.701 467 A HA 0.266 4.587 4.320 0.002 0.000 0.290 467 A C 0.274 177.825 177.584 -0.055 0.000 1.534 467 A CA 0.085 52.091 52.037 -0.051 0.000 1.137 467 A CB -0.681 18.299 19.000 -0.034 0.000 1.032 467 A HN 0.878 nan 8.150 nan 0.000 0.580 468 L N 2.531 123.708 121.223 -0.077 0.000 2.406 468 L HA 0.441 4.783 4.340 0.002 0.000 0.272 468 L C -0.606 176.210 176.870 -0.090 0.000 0.980 468 L CA -1.031 53.765 54.840 -0.073 0.000 0.831 468 L CB 1.572 43.586 42.059 -0.076 0.000 1.253 468 L HN 0.437 nan 8.230 nan 0.000 0.406 469 K N 3.074 123.437 120.400 -0.062 0.000 2.436 469 K HA 0.396 4.717 4.320 0.002 0.000 0.275 469 K C -0.566 176.001 176.600 -0.055 0.000 0.999 469 K CA 0.115 56.369 56.287 -0.056 0.000 0.980 469 K CB 0.921 33.404 32.500 -0.029 0.000 0.919 469 K HN 0.401 nan 8.250 nan 0.000 0.484 470 V N -1.812 118.071 119.914 -0.052 0.000 3.188 470 V HA 0.487 4.608 4.120 0.002 0.000 0.305 470 V C -0.458 175.669 176.094 0.055 0.000 1.232 470 V CA -1.076 61.216 62.300 -0.013 0.000 1.043 470 V CB 2.177 33.942 31.823 -0.096 0.000 1.068 470 V HN 0.583 nan 8.190 nan 0.000 0.439 471 S N 1.579 117.351 115.700 0.120 0.000 2.498 471 S HA 0.343 4.815 4.470 0.002 0.000 0.314 471 S C 0.214 174.950 174.600 0.225 0.000 1.141 471 S CA -0.380 57.913 58.200 0.154 0.000 1.087 471 S CB -1.407 61.889 63.200 0.160 0.000 1.178 471 S HN 0.913 nan 8.310 nan 0.000 0.533 472 c N 4.286 122.995 118.600 0.182 0.000 2.590 472 c HA 0.902 5.474 4.570 0.002 0.000 0.354 472 c C -0.164 174.092 174.090 0.276 0.000 1.622 472 c CA -0.615 55.814 56.329 0.166 0.000 2.050 472 c CB -0.216 42.343 42.510 0.083 0.000 1.960 472 c HN 0.920 nan 8.230 nan 0.000 0.550 473 F N -0.877 119.160 119.950 0.144 0.000 2.765 473 F HA 0.468 4.996 4.527 0.002 0.000 0.313 473 F C -1.493 174.418 175.800 0.185 0.000 1.136 473 F CA -1.025 57.072 58.000 0.162 0.000 0.952 473 F CB 0.168 39.230 39.000 0.102 0.000 1.268 473 F HN 0.424 nan 8.300 nan 0.000 0.441 474 N N 0.601 119.537 118.700 0.393 0.000 2.443 474 N HA 0.805 5.547 4.740 0.002 0.000 0.293 474 N C -1.523 174.094 175.510 0.178 0.000 1.159 474 N CA -0.757 52.352 53.050 0.098 0.000 0.904 474 N CB 2.324 40.676 38.487 -0.225 0.000 1.214 474 N HN 0.581 nan 8.380 nan 0.000 0.513 475 V N 0.787 120.731 119.914 0.051 0.000 2.555 475 V HA 0.546 4.667 4.120 0.002 0.000 0.302 475 V C -0.233 175.855 176.094 -0.011 0.000 1.038 475 V CA -0.774 61.608 62.300 0.136 0.000 0.887 475 V CB 1.672 33.646 31.823 0.251 0.000 0.991 475 V HN 0.577 nan 8.190 nan 0.000 0.434 476 R N 4.270 124.773 120.500 0.005 0.000 2.487 476 R HA 0.417 4.759 4.340 0.002 0.000 0.288 476 R C -1.373 174.907 176.300 -0.033 0.000 1.394 476 R CA -0.513 55.514 56.100 -0.122 0.000 1.155 476 R CB 0.732 30.944 30.300 -0.146 0.000 1.156 476 R HN 0.713 nan 8.270 nan 0.000 0.553 477 F N 2.041 121.949 119.950 -0.069 0.000 2.335 477 F HA 0.494 5.023 4.527 0.003 0.000 0.365 477 F C -0.375 175.368 175.800 -0.096 0.000 1.122 477 F CA -1.220 56.740 58.000 -0.068 0.000 1.151 477 F CB 0.318 39.287 39.000 -0.053 0.000 1.282 477 F HN 0.139 nan 8.300 nan 0.000 0.513 478 c N 5.369 123.935 118.600 -0.056 0.000 2.351 478 c HA 0.834 5.405 4.570 0.002 0.000 0.359 478 c C -0.518 173.497 174.090 -0.126 0.000 1.193 478 c CA -0.555 55.698 56.329 -0.127 0.000 2.270 478 c CB 1.270 43.704 42.510 -0.127 0.000 2.369 478 c HN 0.918 nan 8.230 nan 0.000 0.553 479 L N 3.639 124.745 121.223 -0.195 0.000 2.431 479 L HA 0.582 4.923 4.340 0.002 0.000 0.266 479 L C -0.649 176.035 176.870 -0.310 0.000 0.978 479 L CA -0.088 54.551 54.840 -0.335 0.000 0.822 479 L CB 1.494 43.252 42.059 -0.500 0.000 1.310 479 L HN 0.732 nan 8.230 nan 0.000 0.409 480 K N 4.062 124.277 120.400 -0.309 0.000 2.345 480 K HA 0.944 5.266 4.320 0.002 0.000 0.255 480 K C -1.452 175.037 176.600 -0.185 0.000 0.934 480 K CA -0.257 55.913 56.287 -0.195 0.000 0.801 480 K CB 2.005 34.436 32.500 -0.115 0.000 1.137 480 K HN 0.750 nan 8.250 nan 0.000 0.424 481 A N 2.434 125.209 122.820 -0.075 0.000 3.458 481 A HA 0.653 4.974 4.320 0.002 0.000 0.205 481 A C -0.944 176.690 177.584 0.083 0.000 1.060 481 A CA 0.186 52.256 52.037 0.055 0.000 0.829 481 A CB 0.526 19.676 19.000 0.250 0.000 1.419 481 A HN 1.027 nan 8.150 nan 0.000 0.644 482 D N -2.574 117.904 120.400 0.130 0.000 10.353 482 D HA 0.173 4.814 4.640 0.002 0.000 0.299 482 D C -0.224 176.137 176.300 0.102 0.000 2.968 482 D CA 1.047 55.109 54.000 0.103 0.000 2.730 482 D CB -1.072 39.769 40.800 0.068 0.000 1.136 482 D HN 1.488 nan 8.370 nan 0.000 0.868 483 G N 2.635 111.500 108.800 0.109 0.000 3.135 483 G HA2 0.691 4.653 3.960 0.002 0.000 0.278 483 G HA3 0.691 4.653 3.960 0.002 0.000 0.278 483 G C -0.723 174.241 174.900 0.106 0.000 1.302 483 G CA -0.610 44.564 45.100 0.122 0.000 0.880 483 G HN 0.493 nan 8.290 nan 0.000 0.574 484 K N -0.816 119.659 120.400 0.126 0.000 2.177 484 K HA 0.674 4.996 4.320 0.002 0.000 0.238 484 K C 0.583 177.203 176.600 0.033 0.000 1.015 484 K CA 0.328 56.640 56.287 0.041 0.000 0.922 484 K CB 1.334 33.814 32.500 -0.033 0.000 1.127 484 K HN 1.295 nan 8.250 nan 0.000 0.469 485 G N -0.565 108.158 108.800 -0.128 0.000 2.484 485 G HA2 -0.223 3.738 3.960 0.002 0.000 0.225 485 G HA3 -0.223 3.738 3.960 0.002 0.000 0.225 485 G C -1.176 173.729 174.900 0.007 0.000 1.250 485 G CA -0.604 44.402 45.100 -0.157 0.000 0.926 485 G HN 0.409 nan 8.290 nan 0.000 0.581 486 V N 1.988 121.957 119.914 0.092 0.000 2.326 486 V HA 0.664 4.785 4.120 0.002 0.000 0.281 486 V C 1.085 177.237 176.094 0.098 0.000 1.015 486 V CA 0.652 62.998 62.300 0.076 0.000 0.823 486 V CB 0.526 32.388 31.823 0.064 0.000 1.009 486 V HN 1.589 nan 8.190 nan 0.000 0.436 487 L N 2.423 123.690 121.223 0.073 0.000 1.835 487 L HA 0.414 4.755 4.340 0.002 0.000 0.207 487 L C -1.874 175.021 176.870 0.041 0.000 1.220 487 L CA -0.264 54.612 54.840 0.060 0.000 1.307 487 L CB -0.862 41.243 42.059 0.076 0.000 2.618 487 L HN 0.445 nan 8.230 nan 0.000 0.514 488 P HA -0.137 nan 4.420 nan 0.000 0.296 488 P C 0.205 177.522 177.300 0.027 0.000 1.924 488 P CA 0.953 64.077 63.100 0.040 0.000 1.703 488 P CB 0.144 31.866 31.700 0.036 0.000 0.419 489 R N -3.377 117.139 120.500 0.027 0.000 4.025 489 R HA -0.247 4.095 4.340 0.002 0.000 0.279 489 R C 1.453 177.766 176.300 0.021 0.000 0.251 489 R CA 1.988 58.100 56.100 0.020 0.000 0.968 489 R CB -2.606 27.700 30.300 0.009 0.000 0.994 489 R HN 0.450 nan 8.270 nan 0.000 0.562 490 K N 0.878 121.281 120.400 0.004 0.000 2.599 490 K HA -0.159 4.163 4.320 0.002 0.000 0.218 490 K C 0.118 176.716 176.600 -0.003 0.000 0.668 490 K CA 2.027 58.307 56.287 -0.010 0.000 0.847 490 K CB -0.698 31.782 32.500 -0.034 0.000 0.266 490 K HN 0.387 nan 8.250 nan 0.000 1.059 491 L N -0.088 121.103 121.223 -0.053 0.000 3.040 491 L HA -0.235 4.106 4.340 0.002 0.000 0.594 491 L C -1.547 175.255 176.870 -0.113 0.000 1.002 491 L CA 1.052 55.820 54.840 -0.120 0.000 1.305 491 L CB -1.442 40.650 42.059 0.055 0.000 1.539 491 L HN 0.674 nan 8.230 nan 0.000 0.746 492 N N 3.920 122.435 118.700 -0.309 0.000 2.352 492 N HA 0.775 5.517 4.740 0.002 0.000 0.291 492 N C -1.163 174.180 175.510 -0.278 0.000 1.040 492 N CA -0.506 52.474 53.050 -0.115 0.000 0.864 492 N CB 1.139 39.598 38.487 -0.047 0.000 1.440 492 N HN 0.182 nan 8.380 nan 0.000 0.483 493 F N 0.186 120.166 119.950 0.051 0.000 2.444 493 F HA 0.389 4.918 4.527 0.002 0.000 0.342 493 F C 0.530 176.373 175.800 0.073 0.000 1.121 493 F CA -0.952 57.096 58.000 0.080 0.000 0.997 493 F CB 1.657 40.713 39.000 0.093 0.000 1.130 493 F HN 0.296 nan 8.300 nan 0.000 0.454 494 Q N 3.247 123.173 119.800 0.210 0.000 2.389 494 Q HA 0.472 4.814 4.340 0.002 0.000 0.244 494 Q C -0.798 175.278 176.000 0.127 0.000 1.056 494 Q CA -0.145 55.734 55.803 0.126 0.000 0.908 494 Q CB 0.532 29.316 28.738 0.076 0.000 1.273 494 Q HN 0.563 nan 8.270 nan 0.000 0.471 495 V N 2.558 122.525 119.914 0.089 0.000 3.613 495 V HA 0.700 4.821 4.120 0.002 0.000 0.283 495 V C -0.235 175.806 176.094 -0.089 0.000 1.052 495 V CA -0.709 61.595 62.300 0.007 0.000 0.937 495 V CB 1.433 33.211 31.823 -0.076 0.000 1.241 495 V HN 0.844 nan 8.190 nan 0.000 0.429 496 E N -0.538 119.549 120.200 -0.189 0.000 2.552 496 E HA 0.552 4.903 4.350 0.002 0.000 0.297 496 E C -2.325 174.163 176.600 -0.187 0.000 1.038 496 E CA -0.385 55.925 56.400 -0.149 0.000 0.856 496 E CB 0.811 30.476 29.700 -0.059 0.000 1.222 496 E HN 0.445 nan 8.360 nan 0.000 0.422 497 L N 3.025 124.213 121.223 -0.058 0.000 2.350 497 L HA 0.778 5.119 4.340 0.002 0.000 0.260 497 L C -0.940 176.092 176.870 0.271 0.000 1.015 497 L CA -0.639 54.229 54.840 0.046 0.000 0.821 497 L CB 1.898 43.983 42.059 0.044 0.000 1.370 497 L HN 0.671 nan 8.230 nan 0.000 0.416 498 L N 2.098 123.489 121.223 0.280 0.000 2.506 498 L HA 0.549 4.890 4.340 0.002 0.000 0.257 498 L C -1.612 175.331 176.870 0.121 0.000 0.964 498 L CA -0.746 54.227 54.840 0.222 0.000 0.836 498 L CB 2.241 44.455 42.059 0.258 0.000 1.384 498 L HN 0.203 nan 8.230 nan 0.000 0.410 499 L N 1.616 122.815 121.223 -0.039 0.000 2.322 499 L HA 0.475 4.817 4.340 0.002 0.000 0.281 499 L C -0.346 176.471 176.870 -0.088 0.000 1.014 499 L CA -0.152 54.634 54.840 -0.091 0.000 0.815 499 L CB 1.195 43.113 42.059 -0.235 0.000 1.247 499 L HN 0.681 nan 8.230 nan 0.000 0.421 500 D N 1.418 121.769 120.400 -0.081 0.000 2.737 500 D HA -0.158 4.483 4.640 0.002 0.000 0.243 500 D C 1.261 177.516 176.300 -0.075 0.000 1.109 500 D CA 0.640 54.583 54.000 -0.095 0.000 0.702 500 D CB -0.154 40.570 40.800 -0.126 0.000 1.068 500 D HN 0.606 nan 8.370 nan 0.000 0.432 501 K N 0.180 120.544 120.400 -0.060 0.000 2.147 501 K HA -0.011 4.310 4.320 0.002 0.000 0.205 501 K C 1.793 178.329 176.600 -0.106 0.000 1.049 501 K CA 0.615 56.841 56.287 -0.101 0.000 0.936 501 K CB -0.209 32.195 32.500 -0.159 0.000 0.722 501 K HN 0.291 nan 8.250 nan 0.000 0.446 502 L N 0.441 121.614 121.223 -0.084 0.000 2.700 502 L HA -0.056 4.285 4.340 0.002 0.000 0.240 502 L C 1.043 177.875 176.870 -0.064 0.000 1.162 502 L CA 1.259 56.057 54.840 -0.070 0.000 0.874 502 L CB -0.072 41.955 42.059 -0.054 0.000 1.001 502 L HN 0.084 nan 8.230 nan 0.000 0.447 503 K N -2.085 118.273 120.400 -0.070 0.000 2.494 503 K HA 0.232 4.554 4.320 0.002 0.000 0.201 503 K C 0.872 177.438 176.600 -0.056 0.000 1.338 503 K CA 0.158 56.408 56.287 -0.061 0.000 0.935 503 K CB 0.376 32.835 32.500 -0.069 0.000 1.514 503 K HN 0.139 nan 8.250 nan 0.000 0.490 504 Q N 0.343 120.106 119.800 -0.063 0.000 1.786 504 Q HA -0.225 4.116 4.340 0.002 0.000 0.369 504 Q C 0.107 176.084 176.000 -0.038 0.000 0.796 504 Q CA 1.519 57.290 55.803 -0.055 0.000 0.877 504 Q CB -1.028 27.671 28.738 -0.066 0.000 3.276 504 Q HN -0.023 nan 8.270 nan 0.000 0.718 505 K N 1.138 121.519 120.400 -0.032 0.000 2.237 505 K HA 0.353 4.674 4.320 0.002 0.000 0.270 505 K C 0.616 177.204 176.600 -0.020 0.000 1.015 505 K CA 1.185 57.460 56.287 -0.021 0.000 0.949 505 K CB 0.731 33.221 32.500 -0.017 0.000 0.976 505 K HN 0.845 nan 8.250 nan 0.000 0.472 506 G N 1.184 109.976 108.800 -0.013 0.000 2.155 506 G HA2 0.049 4.010 3.960 0.002 0.000 0.135 506 G HA3 0.049 4.010 3.960 0.002 0.000 0.135 506 G C 0.338 175.233 174.900 -0.008 0.000 1.023 506 G CA 0.249 45.343 45.100 -0.009 0.000 0.688 506 G HN 1.055 nan 8.290 nan 0.000 0.499 507 A N 0.031 122.846 122.820 -0.009 0.000 6.022 507 A HA 0.133 4.455 4.320 0.002 0.000 0.308 507 A C 1.525 179.099 177.584 -0.017 0.000 1.896 507 A CA 1.895 53.927 52.037 -0.008 0.000 0.781 507 A CB -1.206 17.797 19.000 0.006 0.000 1.249 507 A HN 2.142 nan 8.150 nan 0.000 0.403 508 I N -2.134 118.432 120.570 -0.007 0.000 6.100 508 I HA -0.170 4.002 4.170 0.002 0.000 0.126 508 I C 0.271 176.342 176.117 -0.076 0.000 1.820 508 I CA 1.467 62.759 61.300 -0.013 0.000 2.045 508 I CB -2.694 35.304 38.000 -0.003 0.000 3.435 508 I HN 0.649 nan 8.210 nan 0.000 0.171 509 R N 1.858 122.308 120.500 -0.084 0.000 2.308 509 R HA 0.319 4.660 4.340 0.002 0.000 0.325 509 R C 1.311 177.498 176.300 -0.190 0.000 1.161 509 R CA -0.360 55.660 56.100 -0.134 0.000 1.022 509 R CB -0.109 30.123 30.300 -0.113 0.000 1.091 509 R HN 0.387 nan 8.270 nan 0.000 0.497 510 R N 0.618 120.935 120.500 -0.305 0.000 2.355 510 R HA -0.018 4.323 4.340 0.002 0.000 0.219 510 R C 0.415 176.522 176.300 -0.322 0.000 1.107 510 R CA 1.163 56.967 56.100 -0.494 0.000 1.021 510 R CB 0.186 29.953 30.300 -0.889 0.000 0.852 510 R HN 0.467 nan 8.270 nan 0.000 0.475 511 A N 0.641 123.303 122.820 -0.264 0.000 2.435 511 A HA 0.734 5.056 4.320 0.002 0.000 0.304 511 A C -1.060 176.270 177.584 -0.423 0.000 1.064 511 A CA -0.721 51.158 52.037 -0.264 0.000 0.727 511 A CB 1.469 20.408 19.000 -0.102 0.000 1.284 511 A HN 0.083 nan 8.150 nan 0.000 0.415 512 L N 0.491 121.314 121.223 -0.666 0.000 2.465 512 L HA 0.528 4.870 4.340 0.002 0.000 0.257 512 L C -1.096 175.359 176.870 -0.691 0.000 0.988 512 L CA -0.492 53.919 54.840 -0.715 0.000 0.827 512 L CB 2.036 43.713 42.059 -0.637 0.000 1.397 512 L HN 0.733 nan 8.230 nan 0.000 0.410 513 F N 0.993 120.830 119.950 -0.190 0.000 2.443 513 F HA 0.110 4.638 4.527 0.002 0.000 0.353 513 F C 1.174 177.011 175.800 0.060 0.000 1.101 513 F CA -0.537 57.408 58.000 -0.093 0.000 1.226 513 F CB 0.762 39.753 39.000 -0.015 0.000 1.140 513 F HN 0.374 nan 8.300 nan 0.000 0.557 514 L N 3.630 125.025 121.223 0.286 0.000 2.056 514 L HA -0.338 4.004 4.340 0.002 0.000 0.245 514 L C 1.910 178.862 176.870 0.136 0.000 1.099 514 L CA 2.011 56.960 54.840 0.181 0.000 0.840 514 L CB -1.010 41.033 42.059 -0.026 0.000 0.929 514 L HN 0.590 nan 8.230 nan 0.000 0.440 515 Y N -1.166 119.212 120.300 0.131 0.000 2.569 515 Y HA -0.115 4.436 4.550 0.002 0.000 0.293 515 Y C 2.772 178.751 175.900 0.132 0.000 1.144 515 Y CA 1.144 59.306 58.100 0.103 0.000 1.321 515 Y CB -0.854 37.644 38.460 0.064 0.000 0.982 515 Y HN 0.377 nan 8.280 nan 0.000 0.558 516 S N -0.192 115.708 115.700 0.334 0.000 2.441 516 S HA 0.011 4.483 4.470 0.002 0.000 0.224 516 S C 1.214 175.959 174.600 0.242 0.000 1.043 516 S CA 0.421 58.789 58.200 0.280 0.000 0.948 516 S CB -0.028 63.373 63.200 0.336 0.000 0.810 516 S HN 0.445 nan 8.310 nan 0.000 0.504 517 R N 0.471 121.135 120.500 0.273 0.000 3.951 517 R HA -0.114 4.228 4.340 0.002 0.000 0.352 517 R C -0.276 176.098 176.300 0.124 0.000 1.178 517 R CA 0.803 57.051 56.100 0.247 0.000 0.949 517 R CB -2.368 28.069 30.300 0.229 0.000 1.452 517 R HN 0.412 nan 8.270 nan 0.000 0.540 518 S N 0.034 115.816 115.700 0.137 0.000 2.578 518 S HA 0.554 5.026 4.470 0.002 0.000 0.301 518 S C -1.844 172.742 174.600 -0.025 0.000 1.091 518 S CA -1.617 56.643 58.200 0.100 0.000 1.032 518 S CB 1.704 65.018 63.200 0.190 0.000 1.064 518 S HN -0.003 nan 8.310 nan 0.000 0.508 519 P HA 0.162 nan 4.420 nan 0.000 0.255 519 P C -0.599 176.661 177.300 -0.066 0.000 1.301 519 P CA -0.024 62.960 63.100 -0.192 0.000 0.817 519 P CB -0.239 31.394 31.700 -0.111 0.000 1.259 520 S N -0.566 115.252 115.700 0.197 0.000 2.584 520 S HA 0.418 4.890 4.470 0.002 0.000 0.280 520 S C -1.150 173.763 174.600 0.520 0.000 1.162 520 S CA -0.787 57.664 58.200 0.418 0.000 0.951 520 S CB 1.439 64.758 63.200 0.199 0.000 1.108 520 S HN 0.206 nan 8.310 nan 0.000 0.464 521 H N 1.633 120.919 119.070 0.360 0.000 2.894 521 H HA 0.848 5.405 4.556 0.002 0.000 0.368 521 H C -0.851 174.413 175.328 -0.107 0.000 1.181 521 H CA -0.039 55.977 56.048 -0.054 0.000 1.146 521 H CB 2.102 31.491 29.762 -0.622 0.000 1.839 521 H HN 1.041 nan 8.280 nan 0.000 0.557 522 S N 2.392 117.556 115.700 -0.892 0.000 2.720 522 S HA 0.723 5.194 4.470 0.002 0.000 0.287 522 S C -0.796 173.417 174.600 -0.646 0.000 1.168 522 S CA -0.825 57.043 58.200 -0.552 0.000 0.832 522 S CB 3.419 66.470 63.200 -0.249 0.000 1.166 522 S HN 0.876 nan 8.310 nan 0.000 0.493 523 K N -0.858 119.408 120.400 -0.223 0.000 2.872 523 K HA 0.352 4.673 4.320 0.002 0.000 0.291 523 K C -1.525 175.094 176.600 0.033 0.000 1.000 523 K CA -0.653 55.598 56.287 -0.061 0.000 0.750 523 K CB 0.549 33.117 32.500 0.113 0.000 1.415 523 K HN 0.771 nan 8.250 nan 0.000 0.361 524 N N -0.290 118.457 118.700 0.078 0.000 2.989 524 N HA 0.514 5.256 4.740 0.002 0.000 0.338 524 N C -0.050 175.546 175.510 0.144 0.000 1.369 524 N CA -0.437 52.674 53.050 0.102 0.000 0.794 524 N CB 1.100 39.626 38.487 0.064 0.000 1.359 524 N HN 0.419 nan 8.380 nan 0.000 0.609 525 M N -0.503 119.188 119.600 0.152 0.000 1.897 525 M HA 0.206 4.687 4.480 0.002 0.000 0.193 525 M C -0.841 175.535 176.300 0.127 0.000 2.097 525 M CA 0.594 55.979 55.300 0.143 0.000 0.920 525 M CB -0.388 32.317 32.600 0.175 0.000 1.698 525 M HN 0.615 nan 8.290 nan 0.000 0.639 526 T N 1.957 116.638 114.554 0.211 0.000 0.542 526 T HA 0.094 4.446 4.350 0.002 0.000 0.774 526 T C -0.658 174.126 174.700 0.140 0.000 0.992 526 T CA 0.383 62.585 62.100 0.171 0.000 4.077 526 T CB -0.490 68.427 68.868 0.082 0.000 2.303 526 T HN 0.687 nan 8.240 nan 0.000 0.398 527 I N -2.484 118.176 120.570 0.150 0.000 2.501 527 I HA 0.775 4.947 4.170 0.002 0.000 0.314 527 I C 0.310 176.489 176.117 0.103 0.000 2.272 527 I CA -0.522 60.837 61.300 0.099 0.000 0.979 527 I CB 0.819 38.863 38.000 0.072 0.000 1.642 527 I HN 0.793 nan 8.210 nan 0.000 0.609 528 S N -0.295 115.452 115.700 0.080 0.000 7.068 528 S HA 0.136 4.608 4.470 0.002 0.000 0.060 528 S C -0.425 174.206 174.600 0.052 0.000 1.412 528 S CA -0.028 58.215 58.200 0.071 0.000 1.149 528 S CB -0.236 62.993 63.200 0.048 0.000 1.418 528 S HN 0.736 nan 8.310 nan 0.000 0.543 529 R N 2.298 122.818 120.500 0.032 0.000 2.446 529 R HA 0.353 4.695 4.340 0.002 0.000 0.325 529 R C 0.544 176.854 176.300 0.017 0.000 0.997 529 R CA 0.714 56.828 56.100 0.022 0.000 1.010 529 R CB -0.270 30.037 30.300 0.012 0.000 0.946 529 R HN 0.491 nan 8.270 nan 0.000 0.422 530 G N 2.447 111.259 108.800 0.021 0.000 2.109 530 G HA2 0.236 4.197 3.960 0.002 0.000 0.249 530 G HA3 0.236 4.197 3.960 0.002 0.000 0.249 530 G C 0.950 175.850 174.900 0.001 0.000 1.126 530 G CA 0.309 45.417 45.100 0.013 0.000 0.923 530 G HN 0.968 nan 8.290 nan 0.000 0.439 531 G N 1.574 110.367 108.800 -0.011 0.000 2.391 531 G HA2 -0.239 3.723 3.960 0.002 0.000 0.204 531 G HA3 -0.239 3.723 3.960 0.002 0.000 0.204 531 G C 0.813 175.698 174.900 -0.024 0.000 1.012 531 G CA 0.024 45.114 45.100 -0.017 0.000 0.651 531 G HN 0.908 nan 8.290 nan 0.000 0.494 532 L N 3.376 124.586 121.223 -0.021 0.000 2.650 532 L HA 0.367 4.709 4.340 0.002 0.000 0.239 532 L C 1.652 178.496 176.870 -0.043 0.000 1.412 532 L CA -0.287 54.538 54.840 -0.026 0.000 1.219 532 L CB -0.391 41.660 42.059 -0.013 0.000 1.534 532 L HN 0.553 nan 8.230 nan 0.000 0.430 533 M N 0.000 119.566 119.600 -0.058 0.000 2.842 533 M HA 0.055 4.536 4.480 0.002 0.000 0.314 533 M C 0.194 176.439 176.300 -0.092 0.000 1.646 533 M CA 0.410 55.657 55.300 -0.087 0.000 1.484 533 M CB -0.287 32.259 32.600 -0.090 0.000 1.727 533 M HN 0.311 nan 8.290 nan 0.000 0.468 534 Q N 3.467 123.212 119.800 -0.092 0.000 2.262 534 Q HA 0.225 4.567 4.340 0.002 0.000 0.272 534 Q C -1.097 174.821 176.000 -0.136 0.000 1.076 534 Q CA -0.389 55.358 55.803 -0.092 0.000 0.905 534 Q CB 0.625 29.325 28.738 -0.062 0.000 1.182 534 Q HN 0.946 nan 8.270 nan 0.000 0.390 535 c N 3.515 122.019 118.600 -0.160 0.000 2.345 535 c HA 0.617 5.189 4.570 0.002 0.000 0.369 535 c C -0.081 173.816 174.090 -0.321 0.000 1.273 535 c CA -0.471 55.711 56.329 -0.246 0.000 2.310 535 c CB 1.118 43.496 42.510 -0.219 0.000 2.219 535 c HN 0.920 nan 8.230 nan 0.000 0.587 536 E N 0.359 120.227 120.200 -0.554 0.000 2.307 536 E HA 0.306 4.657 4.350 0.002 0.000 0.280 536 E C -1.250 174.884 176.600 -0.776 0.000 0.900 536 E CA -0.055 55.968 56.400 -0.628 0.000 0.790 536 E CB 0.967 30.230 29.700 -0.729 0.000 1.261 536 E HN 0.667 nan 8.360 nan 0.000 0.405 537 E N 3.141 123.072 120.200 -0.447 0.000 2.227 537 E HA 0.528 4.879 4.350 0.002 0.000 0.268 537 E C -0.848 175.591 176.600 -0.269 0.000 0.990 537 E CA -0.973 55.212 56.400 -0.358 0.000 0.856 537 E CB 1.330 30.859 29.700 -0.284 0.000 1.159 537 E HN 0.282 nan 8.360 nan 0.000 0.401 538 L N 2.223 123.320 121.223 -0.209 0.000 2.409 538 L HA 0.527 4.868 4.340 0.002 0.000 0.255 538 L C -1.312 175.497 176.870 -0.100 0.000 1.027 538 L CA -0.801 53.928 54.840 -0.185 0.000 0.834 538 L CB 1.871 43.758 42.059 -0.288 0.000 1.426 538 L HN 0.471 nan 8.230 nan 0.000 0.411 539 I N 1.075 121.627 120.570 -0.030 0.000 2.498 539 I HA 0.771 4.943 4.170 0.002 0.000 0.290 539 I C -0.153 175.935 176.117 -0.048 0.000 1.032 539 I CA -0.480 60.800 61.300 -0.034 0.000 1.073 539 I CB 1.817 39.849 38.000 0.053 0.000 1.251 539 I HN 0.561 nan 8.210 nan 0.000 0.426 540 A N 4.884 127.469 122.820 -0.391 0.000 2.393 540 A HA 0.847 5.169 4.320 0.002 0.000 0.306 540 A C -1.246 175.979 177.584 -0.599 0.000 1.050 540 A CA -0.594 51.099 52.037 -0.574 0.000 0.724 540 A CB 0.988 19.425 19.000 -0.937 0.000 1.248 540 A HN 0.693 nan 8.150 nan 0.000 0.424 541 Y N 0.557 120.706 120.300 -0.252 0.000 2.568 541 Y HA 0.846 5.398 4.550 0.002 0.000 0.327 541 Y C -0.808 175.138 175.900 0.075 0.000 1.163 541 Y CA -1.883 56.188 58.100 -0.049 0.000 1.219 541 Y CB 0.835 39.278 38.460 -0.027 0.000 1.308 541 Y HN 0.535 nan 8.280 nan 0.000 0.503 542 L N 2.394 123.800 121.223 0.304 0.000 2.329 542 L HA 0.534 4.875 4.340 0.002 0.000 0.279 542 L C 0.116 177.200 176.870 0.357 0.000 1.014 542 L CA -0.916 54.051 54.840 0.213 0.000 0.814 542 L CB 1.395 43.602 42.059 0.246 0.000 1.257 542 L HN 0.841 nan 8.230 nan 0.000 0.424 543 R N 1.422 122.093 120.500 0.284 0.000 2.905 543 R HA 0.005 4.346 4.340 0.002 0.000 0.273 543 R C -0.488 176.071 176.300 0.431 0.000 1.033 543 R CA -0.067 56.275 56.100 0.404 0.000 1.182 543 R CB 0.263 30.785 30.300 0.370 0.000 1.097 543 R HN 0.641 nan 8.270 nan 0.000 0.504 544 D N 0.895 121.451 120.400 0.260 0.000 2.382 544 D HA -0.032 4.609 4.640 0.002 0.000 0.245 544 D C 0.517 176.754 176.300 -0.106 0.000 1.120 544 D CA 0.327 54.385 54.000 0.096 0.000 0.890 544 D CB 0.867 41.695 40.800 0.047 0.000 1.201 544 D HN 0.424 nan 8.370 nan 0.000 0.433 545 E N 0.784 120.871 120.200 -0.189 0.000 2.284 545 E HA -0.228 4.123 4.350 0.002 0.000 0.200 545 E C 1.372 177.705 176.600 -0.444 0.000 1.008 545 E CA 1.251 57.402 56.400 -0.415 0.000 0.829 545 E CB -0.090 29.488 29.700 -0.203 0.000 0.744 545 E HN 0.431 nan 8.360 nan 0.000 0.491 546 S N 0.015 115.567 115.700 -0.247 0.000 2.524 546 S HA 0.050 4.522 4.470 0.002 0.000 0.216 546 S C 1.477 176.004 174.600 -0.122 0.000 0.987 546 S CA -0.077 58.023 58.200 -0.166 0.000 0.909 546 S CB 0.243 63.393 63.200 -0.082 0.000 0.781 546 S HN 0.181 nan 8.310 nan 0.000 0.521 547 E N 0.576 120.717 120.200 -0.098 0.000 2.478 547 E HA 0.227 4.579 4.350 0.002 0.000 0.194 547 E C -0.353 176.336 176.600 0.148 0.000 1.045 547 E CA 0.097 56.530 56.400 0.054 0.000 0.868 547 E CB 0.214 30.006 29.700 0.154 0.000 0.885 547 E HN 0.817 nan 8.360 nan 0.000 0.505 548 F N -2.696 117.265 119.950 0.019 0.000 2.654 548 F HA 0.510 5.039 4.527 0.002 0.000 0.308 548 F C -0.095 175.713 175.800 0.014 0.000 1.108 548 F CA -1.252 56.756 58.000 0.014 0.000 0.957 548 F CB 1.284 40.291 39.000 0.011 0.000 1.309 548 F HN -0.408 nan 8.300 nan 0.000 0.446 549 R N 0.355 120.969 120.500 0.190 0.000 2.565 549 R HA 0.184 4.525 4.340 0.002 0.000 0.347 549 R C -0.966 175.447 176.300 0.188 0.000 1.010 549 R CA -0.207 55.949 56.100 0.094 0.000 1.126 549 R CB 0.040 30.362 30.300 0.036 0.000 1.331 549 R HN 0.723 nan 8.270 nan 0.000 0.552 550 D N 1.560 122.155 120.400 0.326 0.000 2.280 550 D HA 0.047 4.688 4.640 0.002 0.000 0.243 550 D C -0.372 176.079 176.300 0.251 0.000 1.129 550 D CA 0.014 54.138 54.000 0.206 0.000 0.848 550 D CB 1.100 41.968 40.800 0.113 0.000 1.107 550 D HN 0.052 nan 8.370 nan 0.000 0.471 551 K N 4.422 124.924 120.400 0.170 0.000 3.054 551 K HA 0.161 4.482 4.320 0.002 0.000 0.203 551 K C -0.381 176.288 176.600 0.116 0.000 1.126 551 K CA -0.201 56.187 56.287 0.168 0.000 1.023 551 K CB -0.480 32.130 32.500 0.183 0.000 0.722 551 K HN 0.449 nan 8.250 nan 0.000 0.441 552 L N -0.032 121.246 121.223 0.093 0.000 2.658 552 L HA 0.144 4.486 4.340 0.002 0.000 0.201 552 L C 0.002 176.928 176.870 0.093 0.000 1.050 552 L CA 0.010 54.904 54.840 0.091 0.000 0.893 552 L CB 0.302 42.401 42.059 0.066 0.000 1.503 552 L HN -0.011 nan 8.230 nan 0.000 0.485 553 T N 3.109 117.698 114.554 0.059 0.000 2.831 553 T HA 0.097 4.448 4.350 0.002 0.000 0.291 553 T C -2.338 172.380 174.700 0.030 0.000 0.981 553 T CA -0.610 61.514 62.100 0.039 0.000 1.174 553 T CB 0.232 69.103 68.868 0.005 0.000 0.929 553 T HN -0.071 nan 8.240 nan 0.000 0.532 554 P HA 0.228 nan 4.420 nan 0.000 0.270 554 P C -0.282 176.941 177.300 -0.127 0.000 1.223 554 P CA -0.414 62.675 63.100 -0.019 0.000 0.785 554 P CB 0.434 32.145 31.700 0.018 0.000 0.923 555 I N 1.056 121.488 120.570 -0.230 0.000 2.306 555 I HA 0.196 4.367 4.170 0.002 0.000 0.288 555 I C 0.780 176.767 176.117 -0.218 0.000 1.036 555 I CA -0.333 60.837 61.300 -0.217 0.000 1.221 555 I CB 0.701 38.545 38.000 -0.261 0.000 1.385 555 I HN 0.288 nan 8.210 nan 0.000 0.472 556 T N 5.249 119.725 114.554 -0.130 0.000 2.875 556 T HA 0.564 4.916 4.350 0.002 0.000 0.284 556 T C -0.141 174.556 174.700 -0.006 0.000 0.995 556 T CA -0.749 61.306 62.100 -0.076 0.000 1.060 556 T CB 1.230 70.081 68.868 -0.027 0.000 0.967 556 T HN 0.170 nan 8.240 nan 0.000 0.476 557 I N 3.428 124.021 120.570 0.038 0.000 2.385 557 I HA 0.501 4.673 4.170 0.002 0.000 0.294 557 I C -0.417 175.817 176.117 0.196 0.000 0.988 557 I CA -1.330 60.041 61.300 0.119 0.000 1.265 557 I CB 0.901 38.981 38.000 0.134 0.000 1.388 557 I HN 0.769 nan 8.210 nan 0.000 0.480 558 F N 7.909 127.883 119.950 0.039 0.000 2.539 558 F HA 0.650 5.178 4.527 0.002 0.000 0.318 558 F C -0.642 175.175 175.800 0.030 0.000 1.135 558 F CA -1.069 56.949 58.000 0.029 0.000 0.915 558 F CB 1.499 40.505 39.000 0.011 0.000 1.176 558 F HN 0.461 nan 8.300 nan 0.000 0.440 559 M N 5.392 124.552 119.600 -0.733 0.000 2.321 559 M HA 0.624 5.105 4.480 0.002 0.000 0.315 559 M C -1.824 173.969 176.300 -0.846 0.000 1.052 559 M CA -0.459 54.450 55.300 -0.652 0.000 0.936 559 M CB 2.335 34.753 32.600 -0.302 0.000 1.639 559 M HN 0.678 nan 8.290 nan 0.000 0.433 560 E N 3.273 123.082 120.200 -0.653 0.000 2.256 560 E HA 0.571 4.923 4.350 0.002 0.000 0.268 560 E C -2.020 174.489 176.600 -0.152 0.000 0.877 560 E CA -0.848 55.298 56.400 -0.424 0.000 0.757 560 E CB 1.684 31.201 29.700 -0.305 0.000 1.183 560 E HN 0.797 nan 8.360 nan 0.000 0.418 561 Y N 0.693 120.944 120.300 -0.083 0.000 2.409 561 Y HA 0.763 5.314 4.550 0.003 0.000 0.343 561 Y C -0.935 175.025 175.900 0.100 0.000 0.973 561 Y CA -1.239 56.870 58.100 0.015 0.000 1.064 561 Y CB 1.395 39.869 38.460 0.024 0.000 1.207 561 Y HN 0.711 nan 8.280 nan 0.000 0.452 562 R N 3.236 123.874 120.500 0.230 0.000 2.725 562 R HA 0.665 5.006 4.340 0.002 0.000 0.277 562 R C -2.110 174.301 176.300 0.186 0.000 0.987 562 R CA -0.912 55.285 56.100 0.162 0.000 0.901 562 R CB 1.377 31.707 30.300 0.051 0.000 1.207 562 R HN 0.969 nan 8.270 nan 0.000 0.463 563 L N 1.184 122.468 121.223 0.102 0.000 2.456 563 L HA 0.404 4.745 4.340 0.002 0.000 0.257 563 L C -0.674 176.185 176.870 -0.017 0.000 1.162 563 L CA -0.373 54.427 54.840 -0.066 0.000 0.808 563 L CB 0.992 42.986 42.059 -0.108 0.000 1.136 563 L HN 0.743 nan 8.230 nan 0.000 0.466 564 D N 0.064 120.431 120.400 -0.055 0.000 2.252 564 D HA 0.165 4.807 4.640 0.002 0.000 0.245 564 D C -0.745 175.601 176.300 0.076 0.000 1.009 564 D CA -0.095 53.934 54.000 0.049 0.000 0.870 564 D CB 1.170 41.971 40.800 0.002 0.000 1.251 564 D HN 0.327 nan 8.370 nan 0.000 0.460 565 Y N 0.422 120.695 120.300 -0.046 0.000 3.096 565 Y HA 0.465 5.016 4.550 0.003 0.000 0.377 565 Y C -0.102 175.777 175.900 -0.036 0.000 1.107 565 Y CA -0.825 57.253 58.100 -0.037 0.000 2.045 565 Y CB -0.241 38.204 38.460 -0.024 0.000 2.203 565 Y HN 0.140 nan 8.280 nan 0.000 0.408 566 R N 1.013 121.407 120.500 -0.176 0.000 3.107 566 R HA 0.310 4.652 4.340 0.002 0.000 0.224 566 R C -1.357 174.866 176.300 -0.128 0.000 1.734 566 R CA -0.124 55.846 56.100 -0.217 0.000 1.303 566 R CB -0.264 29.845 30.300 -0.318 0.000 1.570 566 R HN 0.335 nan 8.270 nan 0.000 0.606 567 T N 0.438 114.941 114.554 -0.084 0.000 4.469 567 T HA 0.471 4.822 4.350 0.002 0.000 0.289 567 T C -0.866 173.816 174.700 -0.030 0.000 0.921 567 T CA 0.161 62.226 62.100 -0.059 0.000 1.040 567 T CB 0.559 69.386 68.868 -0.068 0.000 0.995 567 T HN 0.399 nan 8.240 nan 0.000 0.461 568 A N 0.954 123.758 122.820 -0.028 0.000 2.354 568 A HA 1.015 5.336 4.320 0.002 0.000 0.321 568 A C 0.376 177.960 177.584 -0.001 0.000 1.125 568 A CA -0.624 51.410 52.037 -0.004 0.000 0.799 568 A CB 1.033 20.035 19.000 0.003 0.000 1.293 568 A HN 0.592 nan 8.150 nan 0.000 0.452 569 A N 0.344 123.174 122.820 0.017 0.000 2.267 569 A HA 0.461 4.782 4.320 0.002 0.000 0.271 569 A C 0.724 178.314 177.584 0.010 0.000 1.131 569 A CA 0.286 52.334 52.037 0.017 0.000 0.818 569 A CB 0.020 19.042 19.000 0.036 0.000 1.118 569 A HN 0.953 nan 8.150 nan 0.000 0.501 570 D N -0.432 119.970 120.400 0.003 0.000 2.395 570 D HA -0.078 4.563 4.640 0.002 0.000 0.250 570 D C 0.752 177.046 176.300 -0.011 0.000 1.203 570 D CA 0.804 54.798 54.000 -0.011 0.000 0.872 570 D CB -1.188 39.599 40.800 -0.021 0.000 0.941 570 D HN 0.411 nan 8.370 nan 0.000 0.504 571 T N -2.605 111.960 114.554 0.018 0.000 3.722 571 T HA 0.036 4.388 4.350 0.002 0.000 0.247 571 T C 0.645 175.359 174.700 0.023 0.000 1.004 571 T CA 0.040 62.165 62.100 0.042 0.000 0.947 571 T CB -1.002 67.937 68.868 0.118 0.000 1.114 571 T HN 0.159 nan 8.240 nan 0.000 0.633 572 T N -0.345 114.201 114.554 -0.014 0.000 5.334 572 T HA -0.079 4.272 4.350 0.002 0.000 0.288 572 T C 0.794 175.500 174.700 0.010 0.000 1.733 572 T CA 0.995 63.084 62.100 -0.018 0.000 2.925 572 T CB -2.174 66.674 68.868 -0.033 0.000 1.649 572 T HN 2.143 nan 8.240 nan 0.000 1.007 573 G N -0.474 108.337 108.800 0.018 0.000 3.322 573 G HA2 0.190 4.151 3.960 0.002 0.000 0.686 573 G HA3 0.190 4.151 3.960 0.002 0.000 0.686 573 G C -0.998 173.929 174.900 0.046 0.000 1.015 573 G CA -0.470 44.646 45.100 0.027 0.000 0.826 573 G HN 1.189 nan 8.290 nan 0.000 0.538 574 L N 2.279 123.528 121.223 0.043 0.000 2.487 574 L HA 0.396 4.738 4.340 0.002 0.000 0.261 574 L C 0.337 177.225 176.870 0.030 0.000 1.223 574 L CA -0.343 54.525 54.840 0.047 0.000 0.883 574 L CB 1.139 43.236 42.059 0.063 0.000 1.065 574 L HN 0.751 nan 8.230 nan 0.000 0.488 575 Q N 4.689 124.509 119.800 0.034 0.000 2.337 575 Q HA 0.317 4.658 4.340 0.002 0.000 0.270 575 Q C -2.086 173.917 176.000 0.005 0.000 1.002 575 Q CA -1.386 54.433 55.803 0.027 0.000 0.888 575 Q CB 0.512 29.287 28.738 0.062 0.000 1.222 575 Q HN 0.346 nan 8.270 nan 0.000 0.400 576 P HA 0.390 nan 4.420 nan 0.000 0.323 576 P C -0.860 176.433 177.300 -0.011 0.000 1.309 576 P CA -0.293 62.787 63.100 -0.034 0.000 0.739 576 P CB 0.963 32.649 31.700 -0.023 0.000 1.454 577 I N -2.598 117.970 120.570 -0.004 0.000 3.149 577 I HA 0.323 4.495 4.170 0.002 0.000 0.310 577 I C -1.651 174.535 176.117 0.115 0.000 1.343 577 I CA -1.347 59.987 61.300 0.057 0.000 0.955 577 I CB 1.359 39.403 38.000 0.074 0.000 1.309 577 I HN 0.010 nan 8.210 nan 0.000 0.478 578 L N 3.228 124.545 121.223 0.157 0.000 2.379 578 L HA 0.479 4.820 4.340 0.002 0.000 0.269 578 L C 0.548 177.550 176.870 0.221 0.000 1.084 578 L CA -0.368 54.587 54.840 0.191 0.000 0.802 578 L CB 0.288 42.462 42.059 0.192 0.000 1.175 578 L HN 0.547 nan 8.230 nan 0.000 0.448 579 N N 2.010 120.833 118.700 0.205 0.000 2.236 579 N HA -0.124 4.617 4.740 0.002 0.000 0.274 579 N C 1.079 176.457 175.510 -0.219 0.000 1.339 579 N CA 0.454 53.559 53.050 0.090 0.000 0.845 579 N CB 0.677 39.219 38.487 0.090 0.000 1.091 579 N HN 0.811 nan 8.380 nan 0.000 0.489 580 Q N 3.487 122.763 119.800 -0.875 0.000 1.992 580 Q HA -0.246 4.095 4.340 0.002 0.000 0.216 580 Q C -0.086 175.722 176.000 -0.320 0.000 1.047 580 Q CA 1.608 56.887 55.803 -0.872 0.000 0.899 580 Q CB -0.545 27.206 28.738 -1.646 0.000 1.021 580 Q HN 0.512 nan 8.270 nan 0.000 0.421 581 F N 1.745 121.550 119.950 -0.241 0.000 2.566 581 F HA 0.459 4.988 4.527 0.002 0.000 0.349 581 F C -0.457 175.311 175.800 -0.054 0.000 1.245 581 F CA -0.244 57.689 58.000 -0.111 0.000 1.169 581 F CB 0.457 39.406 39.000 -0.084 0.000 1.470 581 F HN 0.011 nan 8.300 nan 0.000 0.634 582 T N 2.761 117.398 114.554 0.139 0.000 3.435 582 T HA 0.366 4.717 4.350 0.002 0.000 0.344 582 T C -2.714 172.039 174.700 0.088 0.000 1.211 582 T CA -1.141 61.028 62.100 0.114 0.000 1.104 582 T CB 1.936 70.873 68.868 0.115 0.000 1.196 582 T HN -0.004 nan 8.240 nan 0.000 0.471 583 P HA 0.539 nan 4.420 nan 0.000 0.280 583 P C -0.530 176.731 177.300 -0.065 0.000 1.244 583 P CA -0.528 62.590 63.100 0.031 0.000 0.784 583 P CB 0.766 32.502 31.700 0.059 0.000 0.913 584 A N 2.887 125.564 122.820 -0.238 0.000 2.684 584 A HA 0.324 4.646 4.320 0.002 0.000 0.288 584 A C -0.150 177.021 177.584 -0.688 0.000 1.337 584 A CA -0.195 51.384 52.037 -0.764 0.000 0.946 584 A CB -1.197 17.487 19.000 -0.527 0.000 1.093 584 A HN 0.706 nan 8.150 nan 0.000 0.543 585 N N -1.047 117.491 118.700 -0.270 0.000 2.864 585 N HA 0.375 5.116 4.740 0.002 0.000 0.247 585 N C -1.417 174.117 175.510 0.040 0.000 1.071 585 N CA -0.489 52.483 53.050 -0.130 0.000 1.056 585 N CB 0.215 38.665 38.487 -0.061 0.000 1.661 585 N HN 0.038 nan 8.380 nan 0.000 0.570 586 I N 0.636 121.225 120.570 0.032 0.000 2.910 586 I HA 0.903 5.075 4.170 0.002 0.000 0.310 586 I C -0.901 175.266 176.117 0.083 0.000 1.043 586 I CA -0.312 61.039 61.300 0.084 0.000 1.053 586 I CB 2.202 40.255 38.000 0.089 0.000 1.242 586 I HN 0.896 nan 8.210 nan 0.000 0.452 587 S N 4.367 120.140 115.700 0.122 0.000 2.543 587 S HA 0.813 5.285 4.470 0.002 0.000 0.273 587 S C -0.912 173.745 174.600 0.094 0.000 1.152 587 S CA -0.905 57.382 58.200 0.144 0.000 0.910 587 S CB 1.752 65.110 63.200 0.264 0.000 1.105 587 S HN 0.724 nan 8.310 nan 0.000 0.465 588 R N 0.959 121.503 120.500 0.072 0.000 2.919 588 R HA 0.674 5.015 4.340 0.002 0.000 0.260 588 R C -0.965 175.329 176.300 -0.009 0.000 1.067 588 R CA -0.596 55.526 56.100 0.036 0.000 1.003 588 R CB 1.589 31.910 30.300 0.036 0.000 1.192 588 R HN 0.927 nan 8.270 nan 0.000 0.488 589 Q N 0.841 120.598 119.800 -0.071 0.000 2.484 589 Q HA 0.854 5.196 4.340 0.002 0.000 0.285 589 Q C -1.469 174.286 176.000 -0.407 0.000 1.097 589 Q CA -1.369 54.311 55.803 -0.204 0.000 0.802 589 Q CB 2.337 30.962 28.738 -0.188 0.000 1.444 589 Q HN 0.521 nan 8.270 nan 0.000 0.429 590 A N 1.175 123.653 122.820 -0.571 0.000 2.380 590 A HA 0.700 5.022 4.320 0.002 0.000 0.315 590 A C -1.361 175.706 177.584 -0.862 0.000 1.101 590 A CA -0.687 50.948 52.037 -0.671 0.000 0.771 590 A CB 1.264 19.909 19.000 -0.591 0.000 1.287 590 A HN 0.755 nan 8.150 nan 0.000 0.436 591 H N 1.528 120.438 119.070 -0.267 0.000 2.689 591 H HA 0.348 4.906 4.556 0.002 0.000 0.346 591 H C -0.631 174.613 175.328 -0.141 0.000 1.037 591 H CA -0.416 55.512 56.048 -0.201 0.000 1.234 591 H CB 1.233 30.798 29.762 -0.328 0.000 1.572 591 H HN 0.556 nan 8.280 nan 0.000 0.524 592 I N 3.076 123.669 120.570 0.039 0.000 2.710 592 I HA -0.101 4.071 4.170 0.002 0.000 0.286 592 I C 0.957 177.134 176.117 0.101 0.000 1.181 592 I CA 0.004 61.340 61.300 0.060 0.000 1.430 592 I CB 0.784 38.847 38.000 0.105 0.000 1.367 592 I HN 0.332 nan 8.210 nan 0.000 0.577 593 L N 7.303 128.575 121.223 0.082 0.000 2.562 593 L HA 0.106 4.448 4.340 0.002 0.000 0.271 593 L C -0.792 176.136 176.870 0.097 0.000 1.167 593 L CA 0.160 55.056 54.840 0.093 0.000 0.917 593 L CB 0.299 42.397 42.059 0.064 0.000 1.187 593 L HN 0.422 nan 8.230 nan 0.000 0.482 594 L N 5.500 126.790 121.223 0.112 0.000 2.580 594 L HA 0.370 4.712 4.340 0.002 0.000 0.266 594 L C -0.540 176.364 176.870 0.057 0.000 0.955 594 L CA -0.102 54.787 54.840 0.081 0.000 0.886 594 L CB 1.332 43.445 42.059 0.089 0.000 1.263 594 L HN 0.670 nan 8.230 nan 0.000 0.406 595 D N 3.073 123.493 120.400 0.034 0.000 2.947 595 D HA -0.189 4.452 4.640 0.002 0.000 0.224 595 D C -0.241 176.061 176.300 0.004 0.000 1.132 595 D CA 1.123 55.131 54.000 0.013 0.000 0.801 595 D CB -1.113 39.688 40.800 0.003 0.000 1.097 595 D HN 0.627 nan 8.370 nan 0.000 0.431 596 c N 1.029 119.638 118.600 0.015 0.000 2.565 596 c HA 0.553 5.125 4.570 0.002 0.000 0.451 596 c C 1.784 175.867 174.090 -0.012 0.000 1.301 596 c CA 0.161 56.493 56.329 0.005 0.000 1.638 596 c CB -0.545 41.987 42.510 0.035 0.000 2.236 596 c HN 0.749 nan 8.230 nan 0.000 0.603 597 G N 2.684 111.474 108.800 -0.016 0.000 2.543 597 G HA2 -0.247 3.714 3.960 0.002 0.000 0.286 597 G HA3 -0.247 3.714 3.960 0.002 0.000 0.286 597 G C 0.744 175.635 174.900 -0.016 0.000 1.153 597 G CA 0.900 45.988 45.100 -0.020 0.000 0.968 597 G HN 0.555 nan 8.290 nan 0.000 0.544 598 E N 0.333 120.521 120.200 -0.021 0.000 2.646 598 E HA 0.102 4.453 4.350 0.002 0.000 0.207 598 E C 1.168 177.754 176.600 -0.023 0.000 0.922 598 E CA 1.326 57.716 56.400 -0.017 0.000 1.482 598 E CB -0.253 29.438 29.700 -0.015 0.000 1.509 598 E HN 0.597 nan 8.360 nan 0.000 0.831 599 D N 1.398 121.777 120.400 -0.035 0.000 2.349 599 D HA -0.009 4.633 4.640 0.002 0.000 0.215 599 D C 0.150 176.422 176.300 -0.047 0.000 1.016 599 D CA 0.049 54.020 54.000 -0.049 0.000 0.870 599 D CB -0.401 40.354 40.800 -0.076 0.000 0.917 599 D HN 0.004 nan 8.370 nan 0.000 0.524 600 N N -0.773 117.908 118.700 -0.031 0.000 2.780 600 N HA -0.153 4.589 4.740 0.002 0.000 0.248 600 N C -1.149 174.351 175.510 -0.017 0.000 1.102 600 N CA 0.602 53.643 53.050 -0.014 0.000 0.697 600 N CB -1.530 36.953 38.487 -0.007 0.000 1.028 600 N HN 0.307 nan 8.380 nan 0.000 0.554 601 V N 0.190 120.080 119.914 -0.041 0.000 2.760 601 V HA 0.444 4.566 4.120 0.002 0.000 0.309 601 V C -0.438 175.637 176.094 -0.032 0.000 1.077 601 V CA -0.611 61.659 62.300 -0.050 0.000 0.910 601 V CB 2.251 33.965 31.823 -0.182 0.000 1.008 601 V HN 0.289 nan 8.190 nan 0.000 0.424 602 c N 6.913 125.528 118.600 0.025 0.000 2.307 602 c HA 0.633 5.204 4.570 0.002 0.000 0.340 602 c C -0.118 173.959 174.090 -0.021 0.000 1.275 602 c CA -0.764 55.552 56.329 -0.022 0.000 1.811 602 c CB 0.294 42.752 42.510 -0.086 0.000 2.372 602 c HN 0.853 nan 8.230 nan 0.000 0.531 603 K N 4.725 125.105 120.400 -0.034 0.000 2.664 603 K HA 0.390 4.711 4.320 0.002 0.000 0.234 603 K C -3.012 173.577 176.600 -0.017 0.000 0.980 603 K CA -0.943 55.349 56.287 0.009 0.000 0.996 603 K CB 1.448 33.968 32.500 0.034 0.000 1.190 603 K HN 0.340 nan 8.250 nan 0.000 0.479 604 P HA 0.001 nan 4.420 nan 0.000 0.285 604 P C -0.708 176.580 177.300 -0.020 0.000 1.282 604 P CA -0.333 62.739 63.100 -0.048 0.000 0.778 604 P CB 0.499 32.154 31.700 -0.075 0.000 1.222 605 K N 0.741 121.127 120.400 -0.023 0.000 2.803 605 K HA 0.257 4.579 4.320 0.002 0.000 0.229 605 K C -1.179 175.412 176.600 -0.013 0.000 1.084 605 K CA -0.495 55.785 56.287 -0.011 0.000 1.063 605 K CB 0.032 32.526 32.500 -0.010 0.000 1.254 605 K HN 0.236 nan 8.250 nan 0.000 0.551 606 L N 2.986 124.203 121.223 -0.010 0.000 2.375 606 L HA 0.488 4.830 4.340 0.002 0.000 0.271 606 L C 0.487 177.355 176.870 -0.003 0.000 1.107 606 L CA 0.064 54.898 54.840 -0.010 0.000 0.806 606 L CB 0.918 42.972 42.059 -0.010 0.000 1.146 606 L HN 0.555 nan 8.230 nan 0.000 0.447 607 E N 1.489 121.688 120.200 -0.002 0.000 2.347 607 E HA 0.608 4.960 4.350 0.002 0.000 0.285 607 E C -1.732 174.871 176.600 0.005 0.000 0.925 607 E CA -0.764 55.637 56.400 0.003 0.000 0.779 607 E CB 1.962 31.663 29.700 0.002 0.000 1.233 607 E HN 0.141 nan 8.360 nan 0.000 0.414 608 V N 1.742 121.663 119.914 0.011 0.000 2.487 608 V HA 0.547 4.669 4.120 0.002 0.000 0.298 608 V C -0.583 175.524 176.094 0.022 0.000 1.028 608 V CA -0.555 61.754 62.300 0.015 0.000 0.860 608 V CB 1.783 33.617 31.823 0.019 0.000 0.991 608 V HN 0.796 nan 8.190 nan 0.000 0.427 609 S N 2.995 118.707 115.700 0.020 0.000 2.568 609 S HA 0.872 5.343 4.470 0.002 0.000 0.293 609 S C -0.692 173.926 174.600 0.031 0.000 1.089 609 S CA -0.803 57.414 58.200 0.029 0.000 0.945 609 S CB 2.182 65.395 63.200 0.021 0.000 1.077 609 S HN 0.747 nan 8.310 nan 0.000 0.485 610 V N 0.095 120.045 119.914 0.060 0.000 2.559 610 V HA 0.422 4.544 4.120 0.002 0.000 0.289 610 V C -0.959 175.224 176.094 0.148 0.000 1.036 610 V CA -0.862 61.475 62.300 0.062 0.000 0.887 610 V CB 1.452 33.287 31.823 0.019 0.000 1.022 610 V HN 0.869 nan 8.190 nan 0.000 0.442 611 D N 2.775 123.225 120.400 0.083 0.000 2.345 611 D HA 0.201 4.842 4.640 0.002 0.000 0.247 611 D C 0.365 176.767 176.300 0.170 0.000 1.108 611 D CA 0.058 54.115 54.000 0.096 0.000 0.894 611 D CB 1.947 42.772 40.800 0.041 0.000 1.203 611 D HN 0.583 nan 8.370 nan 0.000 0.430 612 S N 3.320 119.127 115.700 0.179 0.000 3.919 612 S HA 0.001 4.473 4.470 0.002 0.000 0.245 612 S C 0.739 175.394 174.600 0.092 0.000 1.344 612 S CA -0.721 57.619 58.200 0.233 0.000 0.896 612 S CB 0.541 63.755 63.200 0.023 0.000 1.557 612 S HN 0.458 nan 8.310 nan 0.000 0.468 613 D N 2.688 123.127 120.400 0.064 0.000 2.074 613 D HA -0.125 4.516 4.640 0.002 0.000 0.221 613 D C 1.892 178.199 176.300 0.011 0.000 0.972 613 D CA 1.283 55.294 54.000 0.019 0.000 0.901 613 D CB -0.126 40.671 40.800 -0.004 0.000 1.047 613 D HN 0.442 nan 8.370 nan 0.000 0.453 614 Q N 0.350 120.148 119.800 -0.003 0.000 2.142 614 Q HA -0.238 4.103 4.340 0.002 0.000 0.213 614 Q C 0.240 176.232 176.000 -0.015 0.000 1.004 614 Q CA 1.647 57.444 55.803 -0.011 0.000 0.883 614 Q CB -0.688 28.038 28.738 -0.020 0.000 0.939 614 Q HN 0.504 nan 8.270 nan 0.000 0.413 615 K N 1.429 121.832 120.400 0.005 0.000 4.971 615 K HA -0.238 4.083 4.320 0.002 0.000 0.296 615 K C -1.086 175.470 176.600 -0.073 0.000 0.724 615 K CA 1.403 57.685 56.287 -0.008 0.000 0.844 615 K CB -1.618 30.882 32.500 -0.000 0.000 1.993 615 K HN 0.463 nan 8.250 nan 0.000 0.384 616 K N 1.786 122.105 120.400 -0.135 0.000 2.132 616 K HA 0.179 4.500 4.320 0.002 0.000 0.377 616 K C -1.287 175.042 176.600 -0.451 0.000 1.694 616 K CA -0.576 55.519 56.287 -0.321 0.000 1.105 616 K CB -0.144 32.158 32.500 -0.330 0.000 1.396 616 K HN 0.331 nan 8.250 nan 0.000 0.463 617 I N 3.842 124.202 120.570 -0.351 0.000 2.412 617 I HA 0.247 4.419 4.170 0.002 0.000 0.279 617 I C -0.561 175.421 176.117 -0.225 0.000 1.063 617 I CA -1.037 60.123 61.300 -0.234 0.000 1.193 617 I CB 0.338 38.303 38.000 -0.060 0.000 1.370 617 I HN 0.435 nan 8.210 nan 0.000 0.479 618 Y N 5.921 126.223 120.300 0.003 0.000 2.569 618 Y HA 0.143 4.695 4.550 0.002 0.000 0.332 618 Y C 0.952 176.835 175.900 -0.029 0.000 1.120 618 Y CA -0.370 57.721 58.100 -0.014 0.000 1.416 618 Y CB 0.115 38.577 38.460 0.003 0.000 1.210 618 Y HN 0.379 nan 8.280 nan 0.000 0.528 619 I N 3.420 124.026 120.570 0.061 0.000 2.752 619 I HA 0.047 4.218 4.170 0.002 0.000 0.287 619 I C 1.191 177.334 176.117 0.045 0.000 1.188 619 I CA 1.403 62.679 61.300 -0.040 0.000 1.427 619 I CB 0.251 38.073 38.000 -0.297 0.000 1.365 619 I HN 1.028 nan 8.210 nan 0.000 0.585 620 G N 5.026 113.849 108.800 0.040 0.000 2.261 620 G HA2 -0.205 3.756 3.960 0.002 0.000 0.228 620 G HA3 -0.205 3.756 3.960 0.002 0.000 0.228 620 G C -0.274 174.641 174.900 0.026 0.000 2.090 620 G CA 0.010 45.146 45.100 0.060 0.000 1.588 620 G HN 0.737 nan 8.290 nan 0.000 0.520 621 D N 1.680 122.097 120.400 0.029 0.000 2.414 621 D HA 0.495 5.136 4.640 0.002 0.000 0.259 621 D C -0.644 175.647 176.300 -0.016 0.000 1.269 621 D CA -0.219 53.777 54.000 -0.006 0.000 1.028 621 D CB 0.098 40.902 40.800 0.007 0.000 1.093 621 D HN 0.191 nan 8.370 nan 0.000 0.545 622 D N -0.104 120.261 120.400 -0.058 0.000 2.393 622 D HA 0.171 4.813 4.640 0.002 0.000 0.232 622 D C -0.406 175.929 176.300 0.058 0.000 1.192 622 D CA -0.282 53.690 54.000 -0.047 0.000 0.882 622 D CB -0.098 40.609 40.800 -0.155 0.000 1.038 622 D HN 0.229 nan 8.370 nan 0.000 0.499 623 N N 3.277 122.040 118.700 0.105 0.000 2.472 623 N HA 0.211 4.952 4.740 0.002 0.000 0.277 623 N C -2.594 172.985 175.510 0.114 0.000 1.081 623 N CA -1.474 51.643 53.050 0.111 0.000 0.973 623 N CB 1.232 39.783 38.487 0.106 0.000 1.105 623 N HN 0.126 nan 8.380 nan 0.000 0.470 624 P HA 0.217 nan 4.420 nan 0.000 0.285 624 P C -1.037 176.302 177.300 0.065 0.000 1.259 624 P CA -0.560 62.583 63.100 0.072 0.000 0.794 624 P CB 1.451 33.171 31.700 0.033 0.000 0.940 625 L N 3.280 124.555 121.223 0.087 0.000 2.464 625 L HA 0.627 4.969 4.340 0.002 0.000 0.266 625 L C -0.839 175.999 176.870 -0.054 0.000 0.965 625 L CA -0.122 54.762 54.840 0.074 0.000 0.833 625 L CB 2.117 44.291 42.059 0.192 0.000 1.296 625 L HN 0.576 nan 8.230 nan 0.000 0.405 626 T N 3.038 117.505 114.554 -0.145 0.000 2.886 626 T HA 0.801 5.153 4.350 0.002 0.000 0.292 626 T C -0.931 173.623 174.700 -0.243 0.000 1.012 626 T CA -0.682 61.235 62.100 -0.305 0.000 0.982 626 T CB 1.304 70.029 68.868 -0.238 0.000 1.018 626 T HN 0.648 nan 8.240 nan 0.000 0.451 627 L N 1.600 122.643 121.223 -0.299 0.000 2.362 627 L HA 0.739 5.080 4.340 0.002 0.000 0.271 627 L C -0.630 176.133 176.870 -0.178 0.000 1.002 627 L CA -1.331 53.358 54.840 -0.252 0.000 0.818 627 L CB 1.014 42.840 42.059 -0.388 0.000 1.298 627 L HN 0.499 nan 8.230 nan 0.000 0.420 628 I N 3.373 123.865 120.570 -0.130 0.000 2.287 628 I HA 0.302 4.473 4.170 0.002 0.000 0.290 628 I C 0.123 176.204 176.117 -0.061 0.000 1.069 628 I CA -0.308 60.943 61.300 -0.081 0.000 1.237 628 I CB 1.052 39.019 38.000 -0.054 0.000 1.418 628 I HN 0.395 nan 8.210 nan 0.000 0.481 629 V N 7.171 127.056 119.914 -0.048 0.000 2.732 629 V HA 0.264 4.386 4.120 0.002 0.000 0.297 629 V C 0.551 176.636 176.094 -0.014 0.000 1.060 629 V CA -0.595 61.690 62.300 -0.026 0.000 1.038 629 V CB 1.697 33.513 31.823 -0.011 0.000 1.003 629 V HN 0.630 nan 8.190 nan 0.000 0.481 630 K N 3.016 123.413 120.400 -0.006 0.000 2.687 630 K HA 0.610 4.932 4.320 0.002 0.000 0.197 630 K C -0.493 176.107 176.600 -0.001 0.000 1.049 630 K CA -0.316 55.969 56.287 -0.004 0.000 1.030 630 K CB 0.874 33.373 32.500 -0.001 0.000 1.261 630 K HN 0.846 nan 8.250 nan 0.000 0.565 631 A N 3.576 126.394 122.820 -0.003 0.000 2.328 631 A HA 0.356 4.678 4.320 0.002 0.000 0.284 631 A C -0.702 176.878 177.584 -0.007 0.000 1.160 631 A CA -0.309 51.726 52.037 -0.003 0.000 0.818 631 A CB 0.411 19.409 19.000 -0.004 0.000 1.087 631 A HN 0.731 nan 8.150 nan 0.000 0.504 632 Q N 1.836 121.632 119.800 -0.008 0.000 2.309 632 Q HA 0.379 4.720 4.340 0.002 0.000 0.273 632 Q C -1.436 174.554 176.000 -0.016 0.000 1.040 632 Q CA -0.653 55.142 55.803 -0.012 0.000 0.834 632 Q CB 1.369 30.101 28.738 -0.009 0.000 1.345 632 Q HN 0.745 nan 8.270 nan 0.000 0.414 633 N N 1.753 120.440 118.700 -0.023 0.000 2.437 633 N HA 0.092 4.833 4.740 0.002 0.000 0.259 633 N C -0.417 175.077 175.510 -0.028 0.000 0.983 633 N CA -0.207 52.825 53.050 -0.030 0.000 0.937 633 N CB 0.846 39.305 38.487 -0.046 0.000 1.122 633 N HN 0.487 nan 8.380 nan 0.000 0.499 634 Q N 2.341 122.127 119.800 -0.023 0.000 2.186 634 Q HA 0.296 4.637 4.340 0.002 0.000 0.241 634 Q C 0.169 176.156 176.000 -0.022 0.000 0.849 634 Q CA -0.248 55.542 55.803 -0.020 0.000 1.053 634 Q CB 1.180 29.910 28.738 -0.013 0.000 1.146 634 Q HN 0.821 nan 8.270 nan 0.000 0.475 635 G N -0.670 108.111 108.800 -0.031 0.000 3.302 635 G HA2 0.441 4.403 3.960 0.002 0.000 0.170 635 G HA3 0.441 4.403 3.960 0.002 0.000 0.170 635 G C -0.438 174.432 174.900 -0.050 0.000 1.119 635 G CA -0.401 44.679 45.100 -0.034 0.000 0.826 635 G HN 0.138 nan 8.290 nan 0.000 0.646 636 E N -0.586 119.575 120.200 -0.065 0.000 2.302 636 E HA 0.475 4.827 4.350 0.002 0.000 0.255 636 E C 0.369 176.879 176.600 -0.150 0.000 1.099 636 E CA -0.699 55.647 56.400 -0.090 0.000 0.929 636 E CB 0.832 30.483 29.700 -0.081 0.000 1.203 636 E HN 0.516 nan 8.360 nan 0.000 0.459 637 G N -0.040 108.644 108.800 -0.194 0.000 2.150 637 G HA2 0.245 4.206 3.960 0.002 0.000 0.250 637 G HA3 0.245 4.206 3.960 0.002 0.000 0.250 637 G C -0.463 174.124 174.900 -0.523 0.000 1.179 637 G CA 0.003 44.918 45.100 -0.308 0.000 0.934 637 G HN 0.392 nan 8.290 nan 0.000 0.453 638 A N 3.509 126.088 122.820 -0.402 0.000 2.249 638 A HA 0.645 4.967 4.320 0.002 0.000 0.314 638 A C -0.489 176.855 177.584 -0.400 0.000 1.290 638 A CA -0.703 51.105 52.037 -0.383 0.000 0.893 638 A CB 0.389 19.283 19.000 -0.177 0.000 1.165 638 A HN 0.634 nan 8.150 nan 0.000 0.530 639 Y N 0.941 121.147 120.300 -0.156 0.000 2.336 639 Y HA 0.269 4.820 4.550 0.002 0.000 0.331 639 Y C 1.057 176.878 175.900 -0.133 0.000 1.211 639 Y CA 0.128 58.062 58.100 -0.277 0.000 1.346 639 Y CB 0.247 38.404 38.460 -0.505 0.000 1.271 639 Y HN 0.916 nan 8.280 nan 0.000 0.538 640 E N -0.577 119.661 120.200 0.063 0.000 2.199 640 E HA -0.226 4.125 4.350 0.002 0.000 0.208 640 E C -0.450 176.171 176.600 0.035 0.000 1.310 640 E CA 0.158 56.601 56.400 0.072 0.000 0.709 640 E CB -1.014 28.752 29.700 0.110 0.000 1.127 640 E HN 0.646 nan 8.360 nan 0.000 0.354 641 A N 2.291 125.113 122.820 0.003 0.000 2.450 641 A HA 0.334 4.656 4.320 0.002 0.000 0.255 641 A C 0.479 178.063 177.584 0.000 0.000 1.096 641 A CA 0.323 52.353 52.037 -0.011 0.000 0.778 641 A CB 0.315 19.294 19.000 -0.035 0.000 1.031 641 A HN 0.365 nan 8.150 nan 0.000 0.494 642 E N 1.942 122.142 120.200 0.000 0.000 2.354 642 E HA 0.460 4.811 4.350 0.002 0.000 0.283 642 E C -1.496 175.102 176.600 -0.003 0.000 0.938 642 E CA -0.992 55.408 56.400 -0.000 0.000 0.777 642 E CB 1.066 30.768 29.700 0.003 0.000 1.222 642 E HN 0.428 nan 8.360 nan 0.000 0.423 643 L N 3.205 124.425 121.223 -0.005 0.000 2.367 643 L HA 0.351 4.692 4.340 0.002 0.000 0.275 643 L C -1.047 175.818 176.870 -0.008 0.000 1.129 643 L CA -0.223 54.615 54.840 -0.003 0.000 0.839 643 L CB 0.637 42.695 42.059 -0.002 0.000 1.133 643 L HN 0.585 nan 8.230 nan 0.000 0.453 644 I N 6.880 127.449 120.570 -0.001 0.000 2.411 644 I HA 0.257 4.428 4.170 0.002 0.000 0.284 644 I C -0.665 175.459 176.117 0.012 0.000 1.012 644 I CA -0.451 60.846 61.300 -0.005 0.000 1.119 644 I CB 1.475 39.471 38.000 -0.006 0.000 1.261 644 I HN 0.339 nan 8.210 nan 0.000 0.448 645 V N 6.836 126.760 119.914 0.016 0.000 2.357 645 V HA 0.400 4.521 4.120 0.002 0.000 0.284 645 V C 0.225 176.341 176.094 0.035 0.000 1.018 645 V CA -0.125 62.208 62.300 0.056 0.000 0.841 645 V CB 1.746 33.632 31.823 0.105 0.000 0.991 645 V HN 0.776 nan 8.190 nan 0.000 0.437 646 S N 8.372 124.084 115.700 0.021 0.000 2.485 646 S HA 0.421 4.893 4.470 0.002 0.000 0.312 646 S C -0.083 174.435 174.600 -0.137 0.000 1.102 646 S CA -0.412 57.767 58.200 -0.035 0.000 1.066 646 S CB -0.197 62.983 63.200 -0.034 0.000 1.102 646 S HN 0.751 nan 8.310 nan 0.000 0.519 647 I N 1.222 121.681 120.570 -0.186 0.000 2.764 647 I HA 0.573 4.744 4.170 0.002 0.000 0.294 647 I C -2.341 173.505 176.117 -0.452 0.000 1.045 647 I CA -2.484 58.525 61.300 -0.486 0.000 1.340 647 I CB -0.199 37.571 38.000 -0.383 0.000 1.436 647 I HN 0.211 nan 8.210 nan 0.000 0.567 648 P HA 0.132 nan 4.420 nan 0.000 0.278 648 P C 0.591 177.723 177.300 -0.279 0.000 1.238 648 P CA -0.378 62.472 63.100 -0.416 0.000 0.794 648 P CB 1.649 33.059 31.700 -0.483 0.000 0.955 649 L N 1.493 122.611 121.223 -0.175 0.000 2.349 649 L HA -0.199 4.142 4.340 0.002 0.000 0.220 649 L C 2.234 179.020 176.870 -0.140 0.000 1.130 649 L CA 1.288 56.056 54.840 -0.121 0.000 0.791 649 L CB -0.267 41.749 42.059 -0.071 0.000 0.918 649 L HN 0.456 nan 8.230 nan 0.000 0.444 650 Q N -0.867 118.840 119.800 -0.155 0.000 2.425 650 Q HA 0.175 4.516 4.340 0.002 0.000 0.204 650 Q C 0.577 176.434 176.000 -0.239 0.000 0.933 650 Q CA 0.494 56.216 55.803 -0.135 0.000 0.939 650 Q CB 0.092 28.795 28.738 -0.059 0.000 1.044 650 Q HN 0.360 nan 8.270 nan 0.000 0.513 651 A N 1.059 123.715 122.820 -0.274 0.000 2.320 651 A HA 0.611 4.932 4.320 0.002 0.000 0.334 651 A C -1.184 176.214 177.584 -0.309 0.000 1.147 651 A CA -0.571 51.301 52.037 -0.275 0.000 0.820 651 A CB 1.053 19.881 19.000 -0.287 0.000 1.218 651 A HN 0.060 nan 8.150 nan 0.000 0.482 652 D N 0.293 120.552 120.400 -0.234 0.000 2.896 652 D HA 0.364 5.006 4.640 0.002 0.000 0.241 652 D C -1.272 175.020 176.300 -0.013 0.000 1.188 652 D CA -0.055 53.799 54.000 -0.244 0.000 0.879 652 D CB 1.420 42.064 40.800 -0.261 0.000 1.553 652 D HN 0.325 nan 8.370 nan 0.000 0.515 653 F N 2.825 122.645 119.950 -0.216 0.000 2.506 653 F HA 0.202 4.730 4.527 0.002 0.000 0.371 653 F C 0.855 176.682 175.800 0.045 0.000 1.078 653 F CA -0.015 58.033 58.000 0.080 0.000 1.195 653 F CB 0.194 39.228 39.000 0.057 0.000 1.099 653 F HN 0.385 nan 8.300 nan 0.000 0.548 654 I N 3.651 123.860 120.570 -0.601 0.000 2.404 654 I HA 0.211 4.383 4.170 0.002 0.000 0.231 654 I C 1.396 176.885 176.117 -1.047 0.000 1.064 654 I CA 0.991 61.935 61.300 -0.592 0.000 1.383 654 I CB -0.600 37.176 38.000 -0.373 0.000 1.171 654 I HN 0.683 nan 8.210 nan 0.000 0.422 655 G N -0.633 107.433 108.800 -1.222 0.000 2.488 655 G HA2 0.363 4.325 3.960 0.002 0.000 0.301 655 G HA3 0.363 4.325 3.960 0.002 0.000 0.301 655 G C -1.823 172.892 174.900 -0.309 0.000 1.339 655 G CA -0.436 44.152 45.100 -0.854 0.000 0.803 655 G HN 0.013 nan 8.290 nan 0.000 0.482 656 V N 1.184 121.138 119.914 0.066 0.000 2.530 656 V HA 0.529 4.650 4.120 0.002 0.000 0.282 656 V C 0.914 176.992 176.094 -0.026 0.000 1.048 656 V CA -0.180 62.173 62.300 0.089 0.000 0.997 656 V CB 0.882 32.786 31.823 0.134 0.000 0.987 656 V HN 1.418 nan 8.190 nan 0.000 0.477 657 V N 6.262 126.140 119.914 -0.060 0.000 2.673 657 V HA 0.385 4.506 4.120 0.002 0.000 0.303 657 V C 1.017 177.086 176.094 -0.041 0.000 1.046 657 V CA 0.653 62.910 62.300 -0.071 0.000 1.126 657 V CB 0.345 32.117 31.823 -0.085 0.000 0.934 657 V HN 1.062 nan 8.190 nan 0.000 0.487 658 R N 2.814 123.291 120.500 -0.039 0.000 2.568 658 R HA 0.122 4.464 4.340 0.002 0.000 0.254 658 R C 0.559 176.843 176.300 -0.027 0.000 0.925 658 R CA 0.146 56.231 56.100 -0.026 0.000 1.025 658 R CB -0.333 29.956 30.300 -0.019 0.000 1.428 658 R HN 0.746 nan 8.270 nan 0.000 0.573 659 N N 2.676 121.355 118.700 -0.034 0.000 3.127 659 N HA -0.019 4.722 4.740 0.002 0.000 0.317 659 N C -0.980 174.513 175.510 -0.028 0.000 1.242 659 N CA 0.373 53.405 53.050 -0.030 0.000 1.203 659 N CB -0.241 38.225 38.487 -0.034 0.000 1.462 659 N HN 0.316 nan 8.380 nan 0.000 0.546 660 N N 0.620 119.306 118.700 -0.024 0.000 3.265 660 N HA -0.062 4.680 4.740 0.002 0.000 0.235 660 N C -0.536 174.963 175.510 -0.017 0.000 1.343 660 N CA -0.252 52.785 53.050 -0.022 0.000 0.904 660 N CB 1.128 39.599 38.487 -0.027 0.000 1.492 660 N HN 0.300 nan 8.380 nan 0.000 0.504 661 E N 0.904 121.095 120.200 -0.015 0.000 2.498 661 E HA 0.259 4.611 4.350 0.002 0.000 0.203 661 E C 0.301 176.895 176.600 -0.011 0.000 1.013 661 E CA 0.263 56.656 56.400 -0.012 0.000 0.927 661 E CB 0.235 29.929 29.700 -0.010 0.000 1.012 661 E HN 0.481 nan 8.360 nan 0.000 0.482 662 A N 0.735 123.547 122.820 -0.014 0.000 2.229 662 A HA 0.306 4.627 4.320 0.002 0.000 0.211 662 A C 0.703 178.279 177.584 -0.014 0.000 1.193 662 A CA -0.109 51.920 52.037 -0.013 0.000 0.879 662 A CB 0.279 19.270 19.000 -0.014 0.000 0.911 662 A HN 0.107 nan 8.150 nan 0.000 0.492 663 L N -0.053 121.160 121.223 -0.016 0.000 2.360 663 L HA 0.669 5.010 4.340 0.002 0.000 0.271 663 L C 0.589 177.453 176.870 -0.010 0.000 1.057 663 L CA -0.381 54.450 54.840 -0.016 0.000 0.803 663 L CB 0.781 42.826 42.059 -0.023 0.000 1.207 663 L HN 0.210 nan 8.230 nan 0.000 0.445 664 A N 2.492 125.308 122.820 -0.007 0.000 2.354 664 A HA 0.409 4.730 4.320 0.002 0.000 0.269 664 A C 0.592 178.178 177.584 0.004 0.000 1.109 664 A CA -0.475 51.561 52.037 -0.001 0.000 0.800 664 A CB 0.143 19.143 19.000 0.000 0.000 1.045 664 A HN 0.717 nan 8.150 nan 0.000 0.489 665 R N 2.686 123.190 120.500 0.007 0.000 4.464 665 R HA 0.166 4.508 4.340 0.002 0.000 0.229 665 R C -0.430 175.884 176.300 0.024 0.000 1.916 665 R CA -0.213 55.895 56.100 0.014 0.000 1.601 665 R CB -0.738 29.568 30.300 0.010 0.000 1.315 665 R HN 0.651 nan 8.270 nan 0.000 0.725 666 L N 1.426 122.665 121.223 0.027 0.000 2.586 666 L HA -0.152 4.190 4.340 0.002 0.000 0.307 666 L C 0.807 177.705 176.870 0.047 0.000 1.274 666 L CA 0.796 55.655 54.840 0.032 0.000 0.857 666 L CB 0.145 42.224 42.059 0.032 0.000 1.099 666 L HN 0.378 nan 8.230 nan 0.000 0.525 667 S N 0.414 116.138 115.700 0.040 0.000 3.208 667 S HA 0.293 4.765 4.470 0.002 0.000 0.195 667 S C -0.011 174.621 174.600 0.053 0.000 1.394 667 S CA -1.098 57.131 58.200 0.049 0.000 1.127 667 S CB -0.344 62.877 63.200 0.034 0.000 1.282 667 S HN 0.507 nan 8.310 nan 0.000 0.513 668 c N 1.589 120.235 118.600 0.076 0.000 2.580 668 c HA 0.896 5.467 4.570 0.002 0.000 0.371 668 c C 0.923 175.066 174.090 0.089 0.000 1.308 668 c CA -0.474 55.881 56.329 0.042 0.000 2.428 668 c CB -0.114 42.390 42.510 -0.009 0.000 2.529 668 c HN 0.934 nan 8.230 nan 0.000 0.657 669 A N 0.642 123.471 122.820 0.014 0.000 2.577 669 A HA 0.639 4.961 4.320 0.002 0.000 0.297 669 A C -1.168 176.446 177.584 0.050 0.000 1.060 669 A CA -0.374 51.719 52.037 0.093 0.000 0.697 669 A CB 0.674 19.715 19.000 0.067 0.000 1.281 669 A HN 0.798 nan 8.150 nan 0.000 0.402 670 F N 2.639 122.596 119.950 0.013 0.000 2.385 670 F HA 0.735 5.263 4.527 0.002 0.000 0.336 670 F C 0.256 176.056 175.800 0.001 0.000 1.100 670 F CA 0.034 58.029 58.000 -0.008 0.000 1.116 670 F CB 1.046 40.120 39.000 0.124 0.000 1.166 670 F HN 0.823 nan 8.300 nan 0.000 0.511 671 K N 2.143 121.905 120.400 -1.062 0.000 2.615 671 K HA 0.670 4.992 4.320 0.002 0.000 0.291 671 K C -1.908 174.197 176.600 -0.824 0.000 1.017 671 K CA -0.975 54.796 56.287 -0.860 0.000 0.882 671 K CB 1.887 34.171 32.500 -0.360 0.000 1.522 671 K HN 0.457 nan 8.250 nan 0.000 0.412 672 T N 1.417 115.681 114.554 -0.483 0.000 3.424 672 T HA 0.122 4.474 4.350 0.002 0.000 0.293 672 T C -0.299 174.310 174.700 -0.152 0.000 0.788 672 T CA -0.562 61.371 62.100 -0.278 0.000 1.337 672 T CB 0.853 69.589 68.868 -0.221 0.000 0.948 672 T HN 0.614 nan 8.240 nan 0.000 0.534 673 E N 1.447 121.576 120.200 -0.118 0.000 2.152 673 E HA 0.025 4.376 4.350 0.002 0.000 0.192 673 E C 0.797 177.372 176.600 -0.042 0.000 0.983 673 E CA 0.644 57.004 56.400 -0.067 0.000 0.818 673 E CB 0.293 29.961 29.700 -0.053 0.000 0.758 673 E HN 0.453 nan 8.360 nan 0.000 0.467 674 N N 0.938 119.611 118.700 -0.046 0.000 2.284 674 N HA 0.049 4.790 4.740 0.002 0.000 0.300 674 N C -0.998 174.493 175.510 -0.031 0.000 1.047 674 N CA -0.368 52.666 53.050 -0.027 0.000 0.821 674 N CB 1.277 39.750 38.487 -0.023 0.000 1.337 674 N HN -0.289 nan 8.380 nan 0.000 0.482 675 Q N 1.318 121.109 119.800 -0.016 0.000 2.636 675 Q HA 0.019 4.360 4.340 0.002 0.000 0.214 675 Q C 0.880 176.870 176.000 -0.017 0.000 1.297 675 Q CA 0.425 56.222 55.803 -0.011 0.000 0.871 675 Q CB -0.905 27.832 28.738 -0.001 0.000 1.690 675 Q HN 0.635 nan 8.270 nan 0.000 0.527 676 T N -3.622 110.916 114.554 -0.027 0.000 3.009 676 T HA 0.172 4.524 4.350 0.002 0.000 0.267 676 T C 0.068 174.754 174.700 -0.024 0.000 0.942 676 T CA -0.716 61.366 62.100 -0.031 0.000 0.883 676 T CB 0.221 69.067 68.868 -0.037 0.000 1.192 676 T HN 0.469 nan 8.240 nan 0.000 0.524 677 R N 2.586 123.084 120.500 -0.004 0.000 2.204 677 R HA -0.152 4.190 4.340 0.002 0.000 0.319 677 R C -0.743 175.618 176.300 0.102 0.000 1.127 677 R CA 0.723 56.886 56.100 0.105 0.000 1.046 677 R CB -1.337 29.048 30.300 0.141 0.000 2.920 677 R HN 0.871 nan 8.270 nan 0.000 0.506 678 Q N -0.295 119.517 119.800 0.019 0.000 2.379 678 Q HA 0.700 5.041 4.340 0.002 0.000 0.278 678 Q C -1.117 174.903 176.000 0.033 0.000 1.068 678 Q CA -1.233 54.584 55.803 0.023 0.000 0.816 678 Q CB 2.359 31.069 28.738 -0.048 0.000 1.387 678 Q HN 0.139 nan 8.270 nan 0.000 0.413 679 V N 1.887 121.832 119.914 0.051 0.000 2.435 679 V HA 0.474 4.595 4.120 0.002 0.000 0.290 679 V C -0.639 175.386 176.094 -0.114 0.000 1.030 679 V CA -0.745 61.514 62.300 -0.068 0.000 0.881 679 V CB 1.632 33.251 31.823 -0.339 0.000 0.983 679 V HN 0.662 nan 8.190 nan 0.000 0.445 680 V N 5.317 125.162 119.914 -0.114 0.000 2.513 680 V HA 0.565 4.687 4.120 0.002 0.000 0.299 680 V C -0.567 175.487 176.094 -0.067 0.000 1.035 680 V CA -0.148 62.108 62.300 -0.074 0.000 0.889 680 V CB 1.594 33.385 31.823 -0.054 0.000 0.988 680 V HN 1.047 nan 8.190 nan 0.000 0.440 681 c N 5.027 123.602 118.600 -0.041 0.000 2.396 681 c HA 0.502 5.073 4.570 0.002 0.000 0.321 681 c C -0.531 173.556 174.090 -0.005 0.000 1.233 681 c CA -1.168 55.149 56.329 -0.021 0.000 1.440 681 c CB 1.023 43.524 42.510 -0.016 0.000 2.110 681 c HN 0.842 nan 8.230 nan 0.000 0.473 682 D N 2.154 122.556 120.400 0.005 0.000 2.390 682 D HA 0.218 4.859 4.640 0.002 0.000 0.249 682 D C 0.505 176.809 176.300 0.006 0.000 1.144 682 D CA 0.280 54.285 54.000 0.009 0.000 0.880 682 D CB 0.901 41.709 40.800 0.015 0.000 1.182 682 D HN 0.500 nan 8.370 nan 0.000 0.451 683 L N 1.052 122.277 121.223 0.003 0.000 3.016 683 L HA 0.332 4.673 4.340 0.002 0.000 0.267 683 L C 0.718 177.584 176.870 -0.006 0.000 1.182 683 L CA -0.262 54.576 54.840 -0.003 0.000 0.997 683 L CB 0.355 42.408 42.059 -0.009 0.000 1.354 683 L HN 0.571 nan 8.230 nan 0.000 0.569 684 G N 0.776 109.577 108.800 0.001 0.000 3.363 684 G HA2 -0.212 3.749 3.960 0.002 0.000 0.685 684 G HA3 -0.212 3.749 3.960 0.002 0.000 0.685 684 G C -0.209 174.693 174.900 0.003 0.000 1.199 684 G CA -0.114 44.987 45.100 0.001 0.000 0.946 684 G HN 0.217 nan 8.290 nan 0.000 0.558 685 N N 1.655 120.370 118.700 0.026 0.000 2.028 685 N HA -0.038 4.703 4.740 0.002 0.000 0.194 685 N C -0.429 175.088 175.510 0.011 0.000 1.050 685 N CA 1.559 54.638 53.050 0.049 0.000 0.848 685 N CB 0.250 38.799 38.487 0.104 0.000 1.038 685 N HN 0.432 nan 8.380 nan 0.000 0.423 686 P HA 0.005 nan 4.420 nan 0.000 0.236 686 P C -0.208 177.036 177.300 -0.093 0.000 1.177 686 P CA 0.206 63.293 63.100 -0.023 0.000 0.773 686 P CB -0.011 31.711 31.700 0.036 0.000 0.878 687 M N -0.045 119.520 119.600 -0.060 0.000 3.374 687 M HA -0.230 4.252 4.480 0.002 0.000 0.163 687 M C -0.414 175.838 176.300 -0.081 0.000 1.401 687 M CA 0.385 55.646 55.300 -0.066 0.000 0.887 687 M CB -1.056 31.498 32.600 -0.077 0.000 1.285 687 M HN -0.164 nan 8.290 nan 0.000 0.595 688 K N 2.721 123.089 120.400 -0.055 0.000 2.508 688 K HA 0.263 4.585 4.320 0.002 0.000 0.273 688 K C 0.662 177.228 176.600 -0.055 0.000 0.964 688 K CA 0.749 57.005 56.287 -0.051 0.000 0.948 688 K CB -0.133 32.350 32.500 -0.029 0.000 0.917 688 K HN 0.783 nan 8.250 nan 0.000 0.512 689 A N 0.316 123.104 122.820 -0.052 0.000 2.386 689 A HA 0.408 4.729 4.320 0.002 0.000 0.246 689 A C 1.116 178.680 177.584 -0.033 0.000 1.089 689 A CA 0.393 52.401 52.037 -0.047 0.000 0.790 689 A CB -0.372 18.602 19.000 -0.043 0.000 1.042 689 A HN 0.867 nan 8.150 nan 0.000 0.497 690 G N 0.454 109.236 108.800 -0.029 0.000 2.402 690 G HA2 -0.213 3.748 3.960 0.002 0.000 0.300 690 G HA3 -0.213 3.748 3.960 0.002 0.000 0.300 690 G C 0.361 175.249 174.900 -0.019 0.000 0.987 690 G CA 0.893 45.980 45.100 -0.021 0.000 0.881 690 G HN 1.163 nan 8.290 nan 0.000 0.512 691 T N 1.435 115.975 114.554 -0.023 0.000 3.579 691 T HA 0.341 4.693 4.350 0.002 0.000 0.328 691 T C 0.864 175.554 174.700 -0.016 0.000 1.481 691 T CA -0.148 61.941 62.100 -0.019 0.000 1.144 691 T CB 0.350 69.204 68.868 -0.023 0.000 1.205 691 T HN 0.560 nan 8.240 nan 0.000 0.812 692 Q N 1.502 121.294 119.800 -0.013 0.000 2.474 692 Q HA 0.392 4.733 4.340 0.002 0.000 0.256 692 Q C -0.692 175.302 176.000 -0.009 0.000 1.048 692 Q CA -0.238 55.558 55.803 -0.010 0.000 0.922 692 Q CB 0.605 29.338 28.738 -0.008 0.000 1.288 692 Q HN 0.310 nan 8.270 nan 0.000 0.484 693 L N 2.293 123.511 121.223 -0.008 0.000 2.710 693 L HA 0.282 4.623 4.340 0.002 0.000 0.262 693 L C -1.946 174.920 176.870 -0.007 0.000 0.940 693 L CA -0.221 54.614 54.840 -0.007 0.000 0.944 693 L CB 1.530 43.584 42.059 -0.007 0.000 1.348 693 L HN 0.429 nan 8.230 nan 0.000 0.425 694 L N 3.800 125.018 121.223 -0.008 0.000 2.343 694 L HA 0.985 5.327 4.340 0.002 0.000 0.275 694 L C 0.270 177.133 176.870 -0.011 0.000 1.056 694 L CA -0.234 54.599 54.840 -0.011 0.000 0.804 694 L CB 1.296 43.348 42.059 -0.012 0.000 1.203 694 L HN 0.897 nan 8.230 nan 0.000 0.440 695 A N 1.278 124.089 122.820 -0.016 0.000 2.586 695 A HA 0.735 5.056 4.320 0.002 0.000 0.291 695 A C -0.685 176.882 177.584 -0.028 0.000 1.062 695 A CA -0.104 51.924 52.037 -0.015 0.000 0.666 695 A CB 1.410 20.408 19.000 -0.003 0.000 1.281 695 A HN 0.739 nan 8.150 nan 0.000 0.421 696 G N 0.486 109.265 108.800 -0.034 0.000 2.544 696 G HA2 0.579 4.541 3.960 0.002 0.000 0.313 696 G HA3 0.579 4.541 3.960 0.002 0.000 0.313 696 G C -1.151 173.705 174.900 -0.074 0.000 1.316 696 G CA -0.377 44.680 45.100 -0.070 0.000 0.944 696 G HN 0.495 nan 8.290 nan 0.000 0.489 697 L N 2.713 123.862 121.223 -0.123 0.000 2.298 697 L HA 0.525 4.866 4.340 0.002 0.000 0.284 697 L C 0.415 176.845 176.870 -0.733 0.000 1.013 697 L CA -0.662 54.098 54.840 -0.133 0.000 0.824 697 L CB 1.109 43.236 42.059 0.112 0.000 1.221 697 L HN 0.802 nan 8.230 nan 0.000 0.418 698 R N 2.547 122.592 120.500 -0.759 0.000 2.732 698 R HA 0.928 5.269 4.340 0.002 0.000 0.278 698 R C -1.051 174.614 176.300 -1.059 0.000 0.976 698 R CA -0.515 55.016 56.100 -0.949 0.000 0.963 698 R CB 1.682 31.722 30.300 -0.433 0.000 1.150 698 R HN 0.262 nan 8.270 nan 0.000 0.478 699 F N -0.954 118.995 119.950 -0.002 0.000 3.461 699 F HA 0.580 5.108 4.527 0.002 0.000 0.328 699 F C -1.072 174.743 175.800 0.024 0.000 1.160 699 F CA -1.363 56.642 58.000 0.008 0.000 0.879 699 F CB 0.761 39.843 39.000 0.136 0.000 1.559 699 F HN 0.645 nan 8.300 nan 0.000 0.510 700 S N 0.729 116.614 115.700 0.308 0.000 2.733 700 S HA 0.627 5.098 4.470 0.002 0.000 0.294 700 S C -1.316 173.375 174.600 0.151 0.000 1.149 700 S CA -0.572 57.759 58.200 0.220 0.000 1.034 700 S CB 1.073 64.401 63.200 0.213 0.000 1.015 700 S HN 1.416 nan 8.310 nan 0.000 0.486 701 V N 3.949 123.981 119.914 0.198 0.000 2.686 701 V HA 0.507 4.628 4.120 0.002 0.000 0.295 701 V C -0.019 176.254 176.094 0.299 0.000 1.057 701 V CA 0.001 62.380 62.300 0.131 0.000 1.012 701 V CB 0.734 32.634 31.823 0.127 0.000 1.006 701 V HN 1.098 nan 8.190 nan 0.000 0.477 702 H N 3.951 123.024 119.070 0.005 0.000 2.567 702 H HA 0.202 4.759 4.556 0.002 0.000 0.267 702 H C 0.923 176.246 175.328 -0.008 0.000 1.148 702 H CA -0.175 55.875 56.048 0.002 0.000 1.031 702 H CB 0.604 30.364 29.762 -0.003 0.000 1.691 702 H HN 0.982 nan 8.280 nan 0.000 0.588 703 Q N 1.811 121.666 119.800 0.091 0.000 1.651 703 Q HA -0.351 3.990 4.340 0.002 0.000 0.444 703 Q C -0.423 175.591 176.000 0.022 0.000 0.916 703 Q CA 1.753 57.570 55.803 0.022 0.000 0.668 703 Q CB -0.593 28.135 28.738 -0.016 0.000 4.500 703 Q HN 0.624 nan 8.270 nan 0.000 0.707 704 Q N -3.679 116.120 119.800 -0.002 0.000 3.017 704 Q HA 0.386 4.727 4.340 0.002 0.000 0.202 704 Q C -1.064 174.948 176.000 0.020 0.000 1.020 704 Q CA 0.076 55.890 55.803 0.018 0.000 1.058 704 Q CB 0.131 28.881 28.738 0.020 0.000 2.095 704 Q HN 1.099 nan 8.270 nan 0.000 0.536 705 S N 0.855 116.598 115.700 0.073 0.000 2.536 705 S HA -0.126 4.346 4.470 0.002 0.000 0.294 705 S C 1.032 175.711 174.600 0.132 0.000 1.289 705 S CA 1.726 60.016 58.200 0.150 0.000 1.035 705 S CB 0.319 63.605 63.200 0.143 0.000 0.783 705 S HN 0.999 nan 8.310 nan 0.000 0.497 706 E N 2.722 123.066 120.200 0.240 0.000 3.668 706 E HA -0.347 4.005 4.350 0.002 0.000 0.379 706 E C 0.806 177.458 176.600 0.086 0.000 1.449 706 E CA 2.146 58.663 56.400 0.195 0.000 1.618 706 E CB -0.894 28.884 29.700 0.130 0.000 1.529 706 E HN 0.857 nan 8.360 nan 0.000 0.352 707 M N -0.383 119.249 119.600 0.054 0.000 7.319 707 M HA -0.232 4.250 4.480 0.002 0.000 0.195 707 M C -0.330 175.979 176.300 0.015 0.000 0.480 707 M CA 2.336 57.648 55.300 0.019 0.000 1.311 707 M CB -1.541 31.055 32.600 -0.007 0.000 0.421 707 M HN 0.637 nan 8.290 nan 0.000 0.195 708 D N -0.594 119.804 120.400 -0.003 0.000 2.539 708 D HA 0.260 4.901 4.640 0.002 0.000 0.280 708 D C 0.797 177.087 176.300 -0.017 0.000 1.208 708 D CA 0.455 54.454 54.000 -0.002 0.000 1.088 708 D CB 0.315 41.113 40.800 -0.004 0.000 1.149 708 D HN 0.758 nan 8.370 nan 0.000 0.596 709 T N -1.391 113.157 114.554 -0.011 0.000 2.867 709 T HA -0.021 4.330 4.350 0.002 0.000 0.268 709 T C 0.452 175.135 174.700 -0.028 0.000 1.057 709 T CA 1.137 63.226 62.100 -0.018 0.000 1.136 709 T CB -0.006 68.858 68.868 -0.007 0.000 0.874 709 T HN 0.461 nan 8.240 nan 0.000 0.466 710 S N -1.037 114.650 115.700 -0.021 0.000 2.597 710 S HA 0.521 4.992 4.470 0.002 0.000 0.274 710 S C -1.400 173.199 174.600 -0.003 0.000 1.132 710 S CA -0.924 57.268 58.200 -0.014 0.000 0.835 710 S CB 1.339 64.535 63.200 -0.007 0.000 1.092 710 S HN 0.096 nan 8.310 nan 0.000 0.457 711 V N 2.304 122.227 119.914 0.014 0.000 2.439 711 V HA 0.749 4.871 4.120 0.002 0.000 0.282 711 V C -0.286 175.855 176.094 0.080 0.000 1.039 711 V CA -0.327 61.978 62.300 0.008 0.000 0.913 711 V CB 1.157 32.971 31.823 -0.015 0.000 0.983 711 V HN 1.118 nan 8.190 nan 0.000 0.460 712 K N 5.104 125.523 120.400 0.032 0.000 2.281 712 K HA 0.678 5.000 4.320 0.002 0.000 0.242 712 K C -1.571 175.054 176.600 0.041 0.000 0.971 712 K CA -0.671 55.699 56.287 0.138 0.000 0.834 712 K CB 1.949 34.502 32.500 0.088 0.000 1.181 712 K HN 0.361 nan 8.250 nan 0.000 0.435 713 F N 0.316 120.285 119.950 0.031 0.000 2.523 713 F HA 0.392 4.920 4.527 0.002 0.000 0.329 713 F C -0.340 175.467 175.800 0.012 0.000 1.061 713 F CA -0.613 57.375 58.000 -0.019 0.000 0.967 713 F CB 1.943 40.911 39.000 -0.053 0.000 1.218 713 F HN 0.492 nan 8.300 nan 0.000 0.480 714 D N 2.415 122.909 120.400 0.156 0.000 2.593 714 D HA 0.495 5.136 4.640 0.002 0.000 0.251 714 D C -1.326 175.030 176.300 0.093 0.000 1.140 714 D CA -0.243 53.816 54.000 0.098 0.000 0.855 714 D CB 2.304 43.126 40.800 0.036 0.000 1.267 714 D HN 0.119 nan 8.370 nan 0.000 0.532 715 L N 1.992 123.265 121.223 0.084 0.000 2.346 715 L HA 0.520 4.861 4.340 0.002 0.000 0.276 715 L C -0.159 176.735 176.870 0.040 0.000 1.006 715 L CA -0.485 54.392 54.840 0.062 0.000 0.817 715 L CB 1.902 43.999 42.059 0.062 0.000 1.272 715 L HN 0.293 nan 8.230 nan 0.000 0.421 716 Q N 2.403 122.219 119.800 0.027 0.000 2.479 716 Q HA 0.600 4.941 4.340 0.002 0.000 0.276 716 Q C -1.909 174.097 176.000 0.010 0.000 0.989 716 Q CA -0.564 55.249 55.803 0.017 0.000 0.864 716 Q CB 2.413 31.159 28.738 0.014 0.000 1.444 716 Q HN 0.625 nan 8.270 nan 0.000 0.388 717 I N 2.715 123.289 120.570 0.006 0.000 2.336 717 I HA 0.335 4.507 4.170 0.002 0.000 0.292 717 I C -0.443 175.675 176.117 0.002 0.000 0.991 717 I CA -0.523 60.778 61.300 0.002 0.000 1.227 717 I CB 1.709 39.708 38.000 -0.002 0.000 1.366 717 I HN 0.485 nan 8.210 nan 0.000 0.466 718 Q N 4.832 124.633 119.800 0.002 0.000 2.316 718 Q HA 0.565 4.906 4.340 0.002 0.000 0.264 718 Q C -0.703 175.303 176.000 0.011 0.000 0.987 718 Q CA -0.645 55.162 55.803 0.007 0.000 0.852 718 Q CB 2.460 31.202 28.738 0.007 0.000 1.287 718 Q HN 0.824 nan 8.270 nan 0.000 0.448 719 S N -0.453 115.257 115.700 0.017 0.000 2.634 719 S HA 0.450 4.922 4.470 0.002 0.000 0.296 719 S C 0.120 174.758 174.600 0.063 0.000 1.104 719 S CA -0.736 57.481 58.200 0.028 0.000 0.920 719 S CB 1.636 64.835 63.200 -0.003 0.000 1.111 719 S HN 0.544 nan 8.310 nan 0.000 0.493 720 S N 0.268 116.033 115.700 0.109 0.000 2.677 720 S HA 0.278 4.749 4.470 0.002 0.000 0.246 720 S C -0.440 174.290 174.600 0.217 0.000 1.005 720 S CA -0.621 57.664 58.200 0.142 0.000 1.062 720 S CB -1.237 62.052 63.200 0.148 0.000 0.778 720 S HN 0.608 nan 8.310 nan 0.000 0.461 721 N N 1.736 120.566 118.700 0.217 0.000 2.419 721 N HA 0.406 5.147 4.740 0.002 0.000 0.264 721 N C 1.084 176.733 175.510 0.231 0.000 1.031 721 N CA -0.473 52.747 53.050 0.284 0.000 0.951 721 N CB 0.924 39.511 38.487 0.168 0.000 1.101 721 N HN 0.148 nan 8.380 nan 0.000 0.488 722 L N 0.751 122.144 121.223 0.284 0.000 2.151 722 L HA -0.184 4.157 4.340 0.002 0.000 0.215 722 L C -0.051 176.947 176.870 0.214 0.000 1.084 722 L CA 1.477 56.487 54.840 0.283 0.000 0.764 722 L CB -0.350 41.990 42.059 0.469 0.000 0.891 722 L HN 0.430 nan 8.230 nan 0.000 0.435 723 F N -1.048 118.929 119.950 0.046 0.000 2.522 723 F HA 0.293 4.821 4.527 0.002 0.000 0.324 723 F C 0.579 176.388 175.800 0.014 0.000 1.077 723 F CA -1.937 56.078 58.000 0.026 0.000 0.944 723 F CB 1.086 40.100 39.000 0.023 0.000 1.175 723 F HN -0.083 nan 8.300 nan 0.000 0.468 724 D N -0.598 119.884 120.400 0.137 0.000 2.882 724 D HA -0.259 4.383 4.640 0.002 0.000 0.229 724 D C 1.227 177.556 176.300 0.048 0.000 1.167 724 D CA 1.243 55.289 54.000 0.076 0.000 0.759 724 D CB -0.682 40.169 40.800 0.084 0.000 1.088 724 D HN 0.741 nan 8.370 nan 0.000 0.425 725 K N -1.056 119.371 120.400 0.045 0.000 2.360 725 K HA -0.065 4.256 4.320 0.002 0.000 0.201 725 K C 1.146 177.756 176.600 0.016 0.000 1.046 725 K CA 1.389 57.697 56.287 0.035 0.000 0.940 725 K CB -0.087 32.437 32.500 0.041 0.000 0.748 725 K HN 0.436 nan 8.250 nan 0.000 0.465 726 V N -2.141 117.778 119.914 0.009 0.000 3.119 726 V HA 0.604 4.725 4.120 0.002 0.000 0.311 726 V C -0.608 175.488 176.094 0.004 0.000 1.259 726 V CA -0.644 61.658 62.300 0.004 0.000 1.067 726 V CB 1.804 33.628 31.823 0.002 0.000 1.123 726 V HN 0.272 nan 8.190 nan 0.000 0.463 727 S N -0.691 115.011 115.700 0.004 0.000 2.677 727 S HA 0.819 5.290 4.470 0.002 0.000 0.304 727 S C -3.216 171.389 174.600 0.007 0.000 1.108 727 S CA -1.746 56.457 58.200 0.005 0.000 0.944 727 S CB 1.314 64.516 63.200 0.005 0.000 1.127 727 S HN 0.772 nan 8.310 nan 0.000 0.511 728 P HA 0.209 nan 4.420 nan 0.000 0.271 728 P C -0.769 176.539 177.300 0.014 0.000 1.233 728 P CA -0.343 62.763 63.100 0.010 0.000 0.764 728 P CB 0.297 32.003 31.700 0.010 0.000 0.825 729 V N 5.498 125.420 119.914 0.015 0.000 2.434 729 V HA -0.028 4.093 4.120 0.002 0.000 0.281 729 V C 0.617 176.728 176.094 0.028 0.000 1.005 729 V CA 0.258 62.570 62.300 0.021 0.000 1.089 729 V CB -0.046 31.788 31.823 0.017 0.000 0.978 729 V HN 0.252 nan 8.190 nan 0.000 0.474 730 V N 5.090 125.027 119.914 0.038 0.000 2.383 730 V HA 0.383 4.504 4.120 0.002 0.000 0.275 730 V C 0.471 176.610 176.094 0.076 0.000 1.036 730 V CA 0.038 62.368 62.300 0.050 0.000 0.889 730 V CB 1.557 33.411 31.823 0.051 0.000 0.985 730 V HN 0.893 nan 8.190 nan 0.000 0.459 731 S N 3.576 119.324 115.700 0.080 0.000 2.713 731 S HA 0.596 5.068 4.470 0.002 0.000 0.283 731 S C -0.788 173.916 174.600 0.173 0.000 1.161 731 S CA -0.441 57.828 58.200 0.115 0.000 0.999 731 S CB 0.990 64.237 63.200 0.077 0.000 1.039 731 S HN 0.924 nan 8.310 nan 0.000 0.548 732 H N 2.052 121.174 119.070 0.087 0.000 3.179 732 H HA 0.334 4.891 4.556 0.002 0.000 0.331 732 H C -1.243 174.156 175.328 0.117 0.000 1.013 732 H CA -0.579 55.515 56.048 0.077 0.000 1.430 732 H CB 0.903 30.698 29.762 0.054 0.000 1.895 732 H HN 0.853 nan 8.280 nan 0.000 0.468 733 K N 2.756 123.172 120.400 0.027 0.000 2.139 733 K HA 0.723 5.044 4.320 0.002 0.000 0.243 733 K C -1.193 175.460 176.600 0.089 0.000 0.983 733 K CA -0.979 55.377 56.287 0.116 0.000 0.890 733 K CB 2.144 34.654 32.500 0.018 0.000 1.090 733 K HN 0.110 nan 8.250 nan 0.000 0.445 734 V N 1.374 121.372 119.914 0.141 0.000 2.612 734 V HA 0.166 4.287 4.120 0.002 0.000 0.301 734 V C -1.233 174.882 176.094 0.035 0.000 1.059 734 V CA -1.188 61.175 62.300 0.105 0.000 0.886 734 V CB 1.442 33.370 31.823 0.175 0.000 1.007 734 V HN 0.798 nan 8.190 nan 0.000 0.426 735 D N 3.639 124.032 120.400 -0.012 0.000 2.399 735 D HA 0.383 5.025 4.640 0.002 0.000 0.241 735 D C -0.073 176.190 176.300 -0.062 0.000 1.133 735 D CA 0.170 54.149 54.000 -0.036 0.000 0.890 735 D CB 1.195 41.968 40.800 -0.045 0.000 1.201 735 D HN 0.358 nan 8.370 nan 0.000 0.432 736 L N 1.072 122.256 121.223 -0.066 0.000 2.307 736 L HA 0.600 4.942 4.340 0.002 0.000 0.282 736 L C 0.470 177.286 176.870 -0.090 0.000 1.051 736 L CA -0.706 54.079 54.840 -0.092 0.000 0.804 736 L CB 1.318 43.313 42.059 -0.108 0.000 1.197 736 L HN 0.369 nan 8.230 nan 0.000 0.431 737 A N 3.230 126.000 122.820 -0.083 0.000 2.344 737 A HA 0.871 5.193 4.320 0.002 0.000 0.307 737 A C -0.898 176.749 177.584 0.105 0.000 1.151 737 A CA -0.544 51.503 52.037 0.017 0.000 0.842 737 A CB 1.916 20.938 19.000 0.036 0.000 1.350 737 A HN 0.384 nan 8.150 nan 0.000 0.459 738 V N 0.661 120.648 119.914 0.123 0.000 2.483 738 V HA 0.557 4.679 4.120 0.002 0.000 0.297 738 V C -1.275 174.849 176.094 0.049 0.000 1.027 738 V CA -0.334 62.008 62.300 0.070 0.000 0.855 738 V CB 1.158 32.936 31.823 -0.074 0.000 0.995 738 V HN 0.737 nan 8.190 nan 0.000 0.424 739 L N 4.844 126.089 121.223 0.037 0.000 2.441 739 L HA 0.910 5.252 4.340 0.002 0.000 0.270 739 L C -0.223 176.664 176.870 0.030 0.000 0.973 739 L CA -0.383 54.419 54.840 -0.063 0.000 0.842 739 L CB 1.698 43.539 42.059 -0.362 0.000 1.239 739 L HN 0.739 nan 8.230 nan 0.000 0.406 740 A N 4.788 127.674 122.820 0.111 0.000 2.646 740 A HA 0.799 5.120 4.320 0.002 0.000 0.312 740 A C -0.118 177.577 177.584 0.184 0.000 1.245 740 A CA -0.049 52.108 52.037 0.201 0.000 0.755 740 A CB 0.650 19.910 19.000 0.432 0.000 1.132 740 A HN 1.037 nan 8.150 nan 0.000 0.458 741 A N 2.338 125.217 122.820 0.098 0.000 2.475 741 A HA 0.517 4.838 4.320 0.002 0.000 0.293 741 A C 0.101 177.750 177.584 0.109 0.000 1.252 741 A CA 0.139 52.230 52.037 0.091 0.000 0.920 741 A CB -0.547 18.475 19.000 0.038 0.000 1.125 741 A HN 0.968 nan 8.150 nan 0.000 0.528 742 V N 3.482 123.499 119.914 0.172 0.000 2.547 742 V HA 0.627 4.748 4.120 0.002 0.000 0.299 742 V C 0.017 176.163 176.094 0.086 0.000 1.040 742 V CA -0.501 61.859 62.300 0.101 0.000 0.913 742 V CB 1.411 33.323 31.823 0.148 0.000 0.992 742 V HN 1.044 nan 8.190 nan 0.000 0.449 743 E N 3.521 123.683 120.200 -0.064 0.000 2.408 743 E HA 0.767 5.118 4.350 0.002 0.000 0.275 743 E C -1.338 175.239 176.600 -0.040 0.000 0.935 743 E CA -0.887 55.539 56.400 0.043 0.000 0.775 743 E CB 3.001 32.737 29.700 0.059 0.000 1.277 743 E HN 0.540 nan 8.360 nan 0.000 0.455 744 I N 0.742 121.384 120.570 0.121 0.000 2.545 744 I HA 0.524 4.695 4.170 0.002 0.000 0.292 744 I C -1.242 174.946 176.117 0.119 0.000 1.040 744 I CA -0.890 60.479 61.300 0.114 0.000 1.068 744 I CB 1.307 39.464 38.000 0.261 0.000 1.251 744 I HN 0.462 nan 8.210 nan 0.000 0.424 745 R N 4.360 124.915 120.500 0.092 0.000 2.725 745 R HA 0.732 5.074 4.340 0.002 0.000 0.277 745 R C -0.844 175.457 176.300 0.003 0.000 0.987 745 R CA -0.926 55.202 56.100 0.046 0.000 0.901 745 R CB 2.003 32.306 30.300 0.005 0.000 1.207 745 R HN 0.821 nan 8.270 nan 0.000 0.463 746 G N -0.428 108.310 108.800 -0.103 0.000 2.642 746 G HA2 0.620 4.582 3.960 0.002 0.000 0.293 746 G HA3 0.620 4.582 3.960 0.002 0.000 0.293 746 G C -1.665 173.060 174.900 -0.293 0.000 1.341 746 G CA -0.478 44.398 45.100 -0.373 0.000 0.916 746 G HN 0.326 nan 8.290 nan 0.000 0.474 747 V N 0.118 119.822 119.914 -0.350 0.000 2.697 747 V HA 0.588 4.709 4.120 0.002 0.000 0.300 747 V C -0.175 175.753 176.094 -0.277 0.000 1.115 747 V CA -0.445 61.712 62.300 -0.239 0.000 0.912 747 V CB 2.082 33.830 31.823 -0.125 0.000 1.024 747 V HN 0.973 nan 8.190 nan 0.000 0.431 748 S N 4.483 119.981 115.700 -0.337 0.000 3.149 748 S HA 0.205 4.676 4.470 0.002 0.000 0.228 748 S C 1.412 175.939 174.600 -0.122 0.000 1.393 748 S CA 0.824 58.797 58.200 -0.379 0.000 1.224 748 S CB -0.565 62.271 63.200 -0.606 0.000 1.112 748 S HN 1.473 nan 8.310 nan 0.000 0.502 749 S N 3.149 118.818 115.700 -0.052 0.000 3.099 749 S HA -0.199 4.272 4.470 0.002 0.000 0.537 749 S C -2.109 172.483 174.600 -0.013 0.000 0.920 749 S CA 1.779 59.975 58.200 -0.007 0.000 3.388 749 S CB -1.924 61.299 63.200 0.037 0.000 2.350 749 S HN 0.610 nan 8.310 nan 0.000 0.540 750 P HA 0.236 nan 4.420 nan 0.000 0.271 750 P C -0.810 176.469 177.300 -0.037 0.000 1.380 750 P CA 0.326 63.425 63.100 -0.002 0.000 0.992 750 P CB -0.136 31.565 31.700 0.002 0.000 1.230 751 D N 0.794 121.173 120.400 -0.036 0.000 2.644 751 D HA -0.035 4.606 4.640 0.002 0.000 0.252 751 D C 0.170 176.410 176.300 -0.100 0.000 1.254 751 D CA 0.289 54.236 54.000 -0.088 0.000 0.884 751 D CB -0.530 40.231 40.800 -0.066 0.000 1.034 751 D HN 0.300 nan 8.370 nan 0.000 0.473 752 H N -1.598 117.363 119.070 -0.181 0.000 2.988 752 H HA 0.310 4.867 4.556 0.002 0.000 0.284 752 H C -1.813 173.285 175.328 -0.383 0.000 1.284 752 H CA -0.727 55.126 56.048 -0.325 0.000 1.431 752 H CB 1.519 31.062 29.762 -0.364 0.000 1.954 752 H HN -0.080 nan 8.280 nan 0.000 0.509 753 V N 3.974 123.683 119.914 -0.341 0.000 2.752 753 V HA 0.290 4.412 4.120 0.002 0.000 0.302 753 V C -0.841 174.952 176.094 -0.502 0.000 1.133 753 V CA -0.679 61.418 62.300 -0.339 0.000 0.919 753 V CB 1.775 33.452 31.823 -0.243 0.000 1.026 753 V HN 0.468 nan 8.190 nan 0.000 0.429 754 F N 3.994 123.888 119.950 -0.094 0.000 2.410 754 F HA 0.463 4.991 4.527 0.002 0.000 0.349 754 F C 1.178 176.803 175.800 -0.292 0.000 1.117 754 F CA -0.454 57.458 58.000 -0.147 0.000 1.104 754 F CB 1.464 40.413 39.000 -0.084 0.000 1.122 754 F HN 0.338 nan 8.300 nan 0.000 0.483 755 L N 4.192 125.171 121.223 -0.407 0.000 2.465 755 L HA -0.021 4.321 4.340 0.002 0.000 0.224 755 L C -0.844 175.793 176.870 -0.387 0.000 1.145 755 L CA 0.170 54.539 54.840 -0.786 0.000 0.834 755 L CB -0.863 40.011 42.059 -1.976 0.000 0.944 755 L HN 0.456 nan 8.230 nan 0.000 0.451 756 P HA -0.195 nan 4.420 nan 0.000 0.217 756 P C 0.526 177.910 177.300 0.141 0.000 1.148 756 P CA 1.020 64.221 63.100 0.167 0.000 0.828 756 P CB 0.048 31.842 31.700 0.156 0.000 0.783 757 I N -1.975 118.615 120.570 0.033 0.000 8.030 757 I HA -0.169 4.003 4.170 0.002 0.000 0.126 757 I C -2.298 173.880 176.117 0.101 0.000 1.796 757 I CA -0.606 60.705 61.300 0.019 0.000 2.138 757 I CB -0.934 37.021 38.000 -0.075 0.000 3.659 757 I HN 0.005 nan 8.210 nan 0.000 0.199 758 P HA 0.018 nan 4.420 nan 0.000 0.245 758 P C -0.055 177.321 177.300 0.127 0.000 1.123 758 P CA 1.394 64.547 63.100 0.088 0.000 0.853 758 P CB -0.107 31.629 31.700 0.060 0.000 0.786 759 N N 2.385 121.175 118.700 0.149 0.000 6.279 759 N HA -0.214 4.528 4.740 0.002 0.000 0.398 759 N C -0.943 174.765 175.510 0.330 0.000 0.957 759 N CA 0.902 54.060 53.050 0.181 0.000 2.046 759 N CB -0.913 37.645 38.487 0.119 0.000 0.707 759 N HN 0.550 nan 8.380 nan 0.000 0.557 760 W N -0.443 120.885 121.300 0.046 0.000 3.442 760 W HA 0.333 4.995 4.660 0.002 0.000 0.320 760 W C -2.021 174.524 176.519 0.044 0.000 0.843 760 W CA -0.297 57.079 57.345 0.051 0.000 0.869 760 W CB 0.081 29.608 29.460 0.111 0.000 1.303 760 W HN 0.809 nan 8.180 nan 0.000 0.533 761 E N 3.104 122.736 120.200 -0.947 0.000 2.265 761 E HA 0.112 4.464 4.350 0.002 0.000 0.262 761 E C -1.069 174.826 176.600 -1.176 0.000 0.889 761 E CA -1.054 54.848 56.400 -0.829 0.000 0.789 761 E CB 1.755 31.222 29.700 -0.388 0.000 1.221 761 E HN 0.463 nan 8.360 nan 0.000 0.414 762 H N 4.495 122.827 119.070 -1.230 0.000 3.232 762 H HA 0.096 4.654 4.556 0.002 0.000 0.254 762 H C -0.690 174.380 175.328 -0.430 0.000 1.213 762 H CA -0.230 55.297 56.048 -0.868 0.000 1.503 762 H CB 0.207 29.666 29.762 -0.505 0.000 1.563 762 H HN 0.185 nan 8.280 nan 0.000 0.490 763 K N 5.277 125.613 120.400 -0.106 0.000 2.300 763 K HA 0.071 4.392 4.320 0.002 0.000 0.264 763 K C -0.192 176.434 176.600 0.043 0.000 1.083 763 K CA -0.772 55.474 56.287 -0.068 0.000 0.958 763 K CB 1.154 33.585 32.500 -0.115 0.000 1.318 763 K HN 0.592 nan 8.250 nan 0.000 0.448 764 E N 2.724 122.962 120.200 0.063 0.000 2.868 764 E HA -0.160 4.192 4.350 0.002 0.000 0.246 764 E C -0.552 176.090 176.600 0.071 0.000 0.962 764 E CA 0.787 57.249 56.400 0.103 0.000 0.955 764 E CB -0.107 29.618 29.700 0.041 0.000 0.903 764 E HN 0.531 nan 8.360 nan 0.000 0.524 765 N N 1.353 120.115 118.700 0.103 0.000 2.765 765 N HA -0.119 4.623 4.740 0.002 0.000 0.254 765 N C -2.783 172.761 175.510 0.057 0.000 1.094 765 N CA 0.239 53.341 53.050 0.086 0.000 0.680 765 N CB -1.202 37.322 38.487 0.061 0.000 0.902 765 N HN 0.313 nan 8.380 nan 0.000 0.557 766 P HA 0.070 nan 4.420 nan 0.000 0.267 766 P C 0.368 177.681 177.300 0.022 0.000 1.201 766 P CA 0.324 63.425 63.100 0.001 0.000 0.775 766 P CB 0.568 32.233 31.700 -0.059 0.000 0.854 767 E N -1.156 119.049 120.200 0.008 0.000 2.676 767 E HA 0.126 4.477 4.350 0.002 0.000 0.225 767 E C -0.473 176.141 176.600 0.024 0.000 0.944 767 E CA 0.192 56.606 56.400 0.023 0.000 1.156 767 E CB 0.579 30.291 29.700 0.019 0.000 1.117 767 E HN 0.522 nan 8.360 nan 0.000 0.523 768 T N -2.985 111.576 114.554 0.013 0.000 2.853 768 T HA 0.305 4.657 4.350 0.002 0.000 0.311 768 T C 0.677 175.389 174.700 0.020 0.000 1.307 768 T CA -0.841 61.272 62.100 0.022 0.000 1.019 768 T CB 1.685 70.564 68.868 0.017 0.000 1.264 768 T HN -0.185 nan 8.240 nan 0.000 0.497 769 E N 0.539 120.760 120.200 0.036 0.000 2.068 769 E HA -0.273 4.078 4.350 0.002 0.000 0.207 769 E C 1.758 178.382 176.600 0.041 0.000 1.032 769 E CA 1.589 58.014 56.400 0.041 0.000 0.839 769 E CB -0.045 29.681 29.700 0.043 0.000 0.758 769 E HN 0.642 nan 8.360 nan 0.000 0.457 770 E N 0.769 120.996 120.200 0.045 0.000 2.160 770 E HA -0.182 4.169 4.350 0.002 0.000 0.195 770 E C 1.375 178.035 176.600 0.101 0.000 0.991 770 E CA 1.052 57.496 56.400 0.072 0.000 0.810 770 E CB -0.144 29.590 29.700 0.056 0.000 0.742 770 E HN 0.238 nan 8.360 nan 0.000 0.466 771 D N -0.814 119.608 120.400 0.037 0.000 2.371 771 D HA -0.069 4.573 4.640 0.002 0.000 0.221 771 D C 1.694 178.010 176.300 0.026 0.000 0.986 771 D CA 0.279 54.270 54.000 -0.015 0.000 0.899 771 D CB 0.277 41.042 40.800 -0.058 0.000 0.902 771 D HN 0.077 nan 8.370 nan 0.000 0.530 772 V N -0.887 119.052 119.914 0.042 0.000 2.635 772 V HA 0.533 4.654 4.120 0.002 0.000 0.233 772 V C 1.241 177.330 176.094 -0.009 0.000 1.097 772 V CA 1.007 63.249 62.300 -0.096 0.000 1.134 772 V CB 0.029 31.748 31.823 -0.173 0.000 0.841 772 V HN 0.281 nan 8.190 nan 0.000 0.496 773 G N -0.184 108.597 108.800 -0.031 0.000 2.340 773 G HA2 0.433 4.394 3.960 0.002 0.000 0.299 773 G HA3 0.433 4.394 3.960 0.002 0.000 0.299 773 G C -3.255 171.602 174.900 -0.070 0.000 1.291 773 G CA -0.401 44.601 45.100 -0.162 0.000 0.841 773 G HN 0.141 nan 8.290 nan 0.000 0.500 774 P HA 0.392 nan 4.420 nan 0.000 0.275 774 P C -0.291 177.006 177.300 -0.004 0.000 1.266 774 P CA -0.263 62.812 63.100 -0.042 0.000 0.793 774 P CB 1.349 33.009 31.700 -0.067 0.000 1.074 775 V N 1.708 121.631 119.914 0.015 0.000 2.284 775 V HA 0.070 4.191 4.120 0.002 0.000 0.260 775 V C 0.819 176.946 176.094 0.054 0.000 1.084 775 V CA -0.362 61.961 62.300 0.038 0.000 0.894 775 V CB 0.519 32.360 31.823 0.029 0.000 1.119 775 V HN 0.241 nan 8.190 nan 0.000 0.484 776 V N 4.729 124.690 119.914 0.079 0.000 3.003 776 V HA 0.365 4.486 4.120 0.002 0.000 0.305 776 V C 0.120 176.322 176.094 0.180 0.000 1.078 776 V CA -0.104 62.267 62.300 0.117 0.000 1.083 776 V CB 1.582 33.479 31.823 0.124 0.000 1.039 776 V HN 0.982 nan 8.190 nan 0.000 0.481 777 Q N 2.283 122.239 119.800 0.261 0.000 2.331 777 Q HA 0.347 4.689 4.340 0.002 0.000 0.249 777 Q C -1.548 174.702 176.000 0.417 0.000 0.913 777 Q CA -0.557 55.422 55.803 0.293 0.000 0.874 777 Q CB 1.276 30.113 28.738 0.164 0.000 1.384 777 Q HN 0.925 nan 8.270 nan 0.000 0.427 778 H N 3.796 123.003 119.070 0.228 0.000 2.479 778 H HA 0.594 5.151 4.556 0.002 0.000 0.335 778 H C -0.436 174.953 175.328 0.102 0.000 1.142 778 H CA -0.920 55.210 56.048 0.138 0.000 1.234 778 H CB 1.710 31.665 29.762 0.322 0.000 1.503 778 H HN 0.493 nan 8.280 nan 0.000 0.510 779 I N 3.045 123.605 120.570 -0.017 0.000 2.499 779 I HA 0.184 4.355 4.170 0.002 0.000 0.288 779 I C -1.288 174.664 176.117 -0.274 0.000 1.048 779 I CA -0.649 60.651 61.300 0.001 0.000 1.062 779 I CB 1.593 39.645 38.000 0.088 0.000 1.238 779 I HN 0.468 nan 8.210 nan 0.000 0.426 780 Y N 3.910 124.204 120.300 -0.011 0.000 2.409 780 Y HA 0.487 5.038 4.550 0.002 0.000 0.343 780 Y C -0.089 175.750 175.900 -0.102 0.000 0.973 780 Y CA -0.652 57.431 58.100 -0.030 0.000 1.064 780 Y CB 1.998 40.459 38.460 0.002 0.000 1.207 780 Y HN 0.451 nan 8.280 nan 0.000 0.452 781 E N 3.071 123.312 120.200 0.070 0.000 2.234 781 E HA 0.499 4.851 4.350 0.002 0.000 0.266 781 E C -2.026 174.565 176.600 -0.015 0.000 0.877 781 E CA -1.032 55.358 56.400 -0.016 0.000 0.758 781 E CB 1.788 31.460 29.700 -0.046 0.000 1.170 781 E HN 0.585 nan 8.360 nan 0.000 0.415 782 L N 4.947 126.130 121.223 -0.068 0.000 2.313 782 L HA 0.546 4.887 4.340 0.002 0.000 0.283 782 L C -1.080 175.706 176.870 -0.140 0.000 1.013 782 L CA -0.263 54.486 54.840 -0.152 0.000 0.816 782 L CB 1.212 43.164 42.059 -0.179 0.000 1.236 782 L HN 0.586 nan 8.230 nan 0.000 0.419 783 R N 3.891 124.298 120.500 -0.156 0.000 2.604 783 R HA 0.403 4.744 4.340 0.002 0.000 0.281 783 R C -1.459 174.776 176.300 -0.108 0.000 1.020 783 R CA -0.557 55.473 56.100 -0.118 0.000 0.899 783 R CB 1.270 31.522 30.300 -0.080 0.000 1.205 783 R HN 0.827 nan 8.270 nan 0.000 0.450 784 N N 3.463 122.088 118.700 -0.125 0.000 2.439 784 N HA 0.131 4.872 4.740 0.002 0.000 0.249 784 N C -0.520 174.949 175.510 -0.069 0.000 1.003 784 N CA -0.534 52.458 53.050 -0.097 0.000 0.942 784 N CB 0.835 39.160 38.487 -0.270 0.000 1.115 784 N HN 0.615 nan 8.380 nan 0.000 0.505 785 N N 2.663 121.350 118.700 -0.022 0.000 2.436 785 N HA 0.010 4.751 4.740 0.002 0.000 0.178 785 N C 1.027 176.532 175.510 -0.008 0.000 1.026 785 N CA 0.049 53.088 53.050 -0.019 0.000 0.880 785 N CB -0.290 38.192 38.487 -0.009 0.000 1.061 785 N HN 0.512 nan 8.380 nan 0.000 0.434 786 G N 3.170 111.979 108.800 0.015 0.000 2.583 786 G HA2 -0.033 3.928 3.960 0.002 0.000 0.230 786 G HA3 -0.033 3.928 3.960 0.002 0.000 0.230 786 G C -1.123 173.788 174.900 0.018 0.000 1.249 786 G CA -0.571 44.538 45.100 0.014 0.000 0.857 786 G HN 0.092 nan 8.290 nan 0.000 0.569 787 P HA -0.106 nan 4.420 nan 0.000 0.213 787 P C 1.055 178.400 177.300 0.076 0.000 1.170 787 P CA 1.362 64.482 63.100 0.034 0.000 0.898 787 P CB -0.233 31.491 31.700 0.040 0.000 0.787 788 S N 0.562 116.336 115.700 0.124 0.000 2.533 788 S HA 0.277 4.748 4.470 0.002 0.000 0.282 788 S C 0.669 175.409 174.600 0.233 0.000 1.304 788 S CA -0.640 57.700 58.200 0.234 0.000 1.063 788 S CB -0.115 63.270 63.200 0.308 0.000 0.881 788 S HN 0.328 nan 8.310 nan 0.000 0.493 789 S N 1.919 117.749 115.700 0.216 0.000 2.686 789 S HA 0.809 5.280 4.470 0.002 0.000 0.270 789 S C -0.266 174.447 174.600 0.189 0.000 1.194 789 S CA -0.892 57.342 58.200 0.057 0.000 0.990 789 S CB 0.097 63.272 63.200 -0.042 0.000 1.029 789 S HN 0.919 nan 8.310 nan 0.000 0.560 790 F N -1.942 118.041 119.950 0.054 0.000 2.664 790 F HA 0.814 5.342 4.527 0.003 0.000 0.329 790 F C 0.454 176.154 175.800 -0.167 0.000 1.090 790 F CA -1.178 56.767 58.000 -0.092 0.000 0.978 790 F CB 0.985 39.765 39.000 -0.367 0.000 1.378 790 F HN 0.527 nan 8.300 nan 0.000 0.495 791 S N -1.372 114.434 115.700 0.177 0.000 2.559 791 S HA 0.418 4.889 4.470 0.002 0.000 0.226 791 S C -0.206 174.435 174.600 0.067 0.000 1.030 791 S CA -0.315 57.939 58.200 0.091 0.000 0.956 791 S CB 0.104 63.301 63.200 -0.005 0.000 0.900 791 S HN 0.586 nan 8.310 nan 0.000 0.510 792 K N 0.575 120.952 120.400 -0.038 0.000 2.561 792 K HA 0.725 5.047 4.320 0.002 0.000 0.254 792 K C -1.759 174.635 176.600 -0.343 0.000 0.942 792 K CA -0.175 56.035 56.287 -0.129 0.000 0.818 792 K CB 2.361 34.790 32.500 -0.119 0.000 1.306 792 K HN 0.238 nan 8.250 nan 0.000 0.435 793 A N 2.981 125.652 122.820 -0.248 0.000 2.587 793 A HA 0.805 5.126 4.320 0.002 0.000 0.293 793 A C -1.510 176.004 177.584 -0.116 0.000 1.087 793 A CA -0.796 51.066 52.037 -0.291 0.000 0.692 793 A CB 1.504 20.231 19.000 -0.455 0.000 1.291 793 A HN 0.461 nan 8.150 nan 0.000 0.407 794 M N 0.979 120.546 119.600 -0.055 0.000 2.436 794 M HA 0.569 5.051 4.480 0.002 0.000 0.331 794 M C -1.281 175.031 176.300 0.019 0.000 1.135 794 M CA -0.730 54.560 55.300 -0.016 0.000 0.987 794 M CB 1.070 33.709 32.600 0.066 0.000 1.687 794 M HN 0.629 nan 8.290 nan 0.000 0.445 795 L N 3.005 124.160 121.223 -0.112 0.000 2.349 795 L HA 0.458 4.799 4.340 0.002 0.000 0.278 795 L C -1.436 175.228 176.870 -0.343 0.000 0.996 795 L CA -0.079 54.692 54.840 -0.114 0.000 0.825 795 L CB 1.092 43.075 42.059 -0.127 0.000 1.243 795 L HN 0.632 nan 8.230 nan 0.000 0.412 796 H N 4.775 123.798 119.070 -0.079 0.000 2.638 796 H HA 0.566 5.124 4.556 0.002 0.000 0.317 796 H C -1.134 174.114 175.328 -0.133 0.000 1.006 796 H CA -0.346 55.642 56.048 -0.100 0.000 1.222 796 H CB 1.732 31.447 29.762 -0.080 0.000 1.419 796 H HN 0.491 nan 8.280 nan 0.000 0.489 797 L N 3.707 124.854 121.223 -0.127 0.000 2.295 797 L HA 0.345 4.686 4.340 0.002 0.000 0.281 797 L C -0.697 176.156 176.870 -0.029 0.000 1.018 797 L CA -0.307 54.438 54.840 -0.159 0.000 0.841 797 L CB 0.925 42.821 42.059 -0.273 0.000 1.218 797 L HN 0.594 nan 8.230 nan 0.000 0.424 798 Q N 4.950 124.764 119.800 0.024 0.000 2.261 798 Q HA 0.264 4.605 4.340 0.002 0.000 0.252 798 Q C -1.272 174.835 176.000 0.178 0.000 0.915 798 Q CA -0.239 55.613 55.803 0.080 0.000 0.915 798 Q CB 1.978 30.746 28.738 0.049 0.000 1.204 798 Q HN 0.684 nan 8.270 nan 0.000 0.421 799 W N 4.920 126.207 121.300 -0.022 0.000 2.785 799 W HA 0.303 4.964 4.660 0.002 0.000 0.333 799 W C -2.734 173.804 176.519 0.031 0.000 1.062 799 W CA -2.560 54.783 57.345 -0.002 0.000 1.233 799 W CB 1.920 31.364 29.460 -0.026 0.000 1.413 799 W HN 0.430 nan 8.180 nan 0.000 0.489 800 P HA -0.111 nan 4.420 nan 0.000 0.252 800 P C 0.258 177.509 177.300 -0.081 0.000 1.694 800 P CA 0.453 63.367 63.100 -0.310 0.000 1.163 800 P CB -0.473 30.919 31.700 -0.515 0.000 1.934 801 Y N 4.741 125.076 120.300 0.058 0.000 2.109 801 Y HA -0.054 4.497 4.550 0.002 0.000 0.285 801 Y C 0.534 176.459 175.900 0.040 0.000 1.131 801 Y CA 1.492 59.672 58.100 0.133 0.000 1.121 801 Y CB 0.300 38.825 38.460 0.108 0.000 0.987 801 Y HN 0.107 nan 8.280 nan 0.000 0.495 802 K N -2.296 117.958 120.400 -0.243 0.000 2.556 802 K HA 0.115 4.436 4.320 0.002 0.000 0.274 802 K C -0.773 175.794 176.600 -0.054 0.000 0.966 802 K CA -0.495 55.603 56.287 -0.313 0.000 0.865 802 K CB 1.475 33.624 32.500 -0.585 0.000 1.444 802 K HN 0.143 nan 8.250 nan 0.000 0.433 803 Y N 0.576 120.766 120.300 -0.184 0.000 2.558 803 Y HA 0.240 4.791 4.550 0.002 0.000 0.273 803 Y C -0.092 175.757 175.900 -0.085 0.000 1.100 803 Y CA 0.195 58.215 58.100 -0.132 0.000 1.276 803 Y CB 0.937 39.294 38.460 -0.171 0.000 1.196 803 Y HN 0.477 nan 8.280 nan 0.000 0.527 804 N N 1.448 119.989 118.700 -0.265 0.000 2.805 804 N HA 0.055 4.797 4.740 0.002 0.000 0.216 804 N C -1.230 174.183 175.510 -0.161 0.000 1.447 804 N CA 0.010 52.874 53.050 -0.310 0.000 0.785 804 N CB 0.138 38.367 38.487 -0.429 0.000 1.458 804 N HN 0.279 nan 8.380 nan 0.000 0.547 805 N N 0.290 118.907 118.700 -0.139 0.000 2.778 805 N HA -0.174 4.567 4.740 0.002 0.000 0.249 805 N C -0.977 174.455 175.510 -0.131 0.000 1.069 805 N CA 1.023 54.005 53.050 -0.114 0.000 0.831 805 N CB -0.741 37.706 38.487 -0.066 0.000 1.142 805 N HN 0.496 nan 8.380 nan 0.000 0.573 806 N N 0.666 119.281 118.700 -0.140 0.000 2.417 806 N HA 0.220 4.961 4.740 0.002 0.000 0.274 806 N C -0.254 175.134 175.510 -0.203 0.000 0.987 806 N CA -0.102 52.881 53.050 -0.111 0.000 0.912 806 N CB 1.185 39.669 38.487 -0.006 0.000 1.177 806 N HN -0.068 nan 8.380 nan 0.000 0.490 807 T N 2.056 116.401 114.554 -0.348 0.000 2.932 807 T HA 0.101 4.453 4.350 0.002 0.000 0.312 807 T C 1.320 175.916 174.700 -0.174 0.000 1.071 807 T CA 0.140 61.975 62.100 -0.442 0.000 1.128 807 T CB 0.706 69.037 68.868 -0.895 0.000 0.984 807 T HN 0.216 nan 8.240 nan 0.000 0.549 808 L N 1.871 123.026 121.223 -0.115 0.000 2.985 808 L HA 0.461 4.803 4.340 0.002 0.000 0.177 808 L C 0.539 177.451 176.870 0.070 0.000 1.387 808 L CA 0.558 55.370 54.840 -0.046 0.000 0.982 808 L CB -0.283 41.699 42.059 -0.130 0.000 1.376 808 L HN 0.469 nan 8.230 nan 0.000 0.603 809 L N 0.416 121.701 121.223 0.103 0.000 2.287 809 L HA 0.223 4.564 4.340 0.002 0.000 0.280 809 L C -1.141 176.002 176.870 0.455 0.000 1.055 809 L CA -0.559 54.433 54.840 0.254 0.000 0.863 809 L CB 0.483 42.636 42.059 0.157 0.000 1.245 809 L HN 0.237 nan 8.230 nan 0.000 0.432 810 Y N 5.024 125.475 120.300 0.253 0.000 2.730 810 Y HA 0.127 4.679 4.550 0.002 0.000 0.354 810 Y C 0.594 176.579 175.900 0.142 0.000 1.139 810 Y CA -0.232 57.987 58.100 0.199 0.000 1.516 810 Y CB -0.006 38.617 38.460 0.271 0.000 1.204 810 Y HN 0.370 nan 8.280 nan 0.000 0.520 811 I N 8.131 128.585 120.570 -0.194 0.000 2.664 811 I HA -0.178 3.994 4.170 0.002 0.000 0.284 811 I C 1.008 176.918 176.117 -0.345 0.000 1.154 811 I CA 0.523 61.631 61.300 -0.320 0.000 1.402 811 I CB 0.612 38.304 38.000 -0.514 0.000 1.395 811 I HN 0.772 nan 8.210 nan 0.000 0.545 812 L N 6.647 127.768 121.223 -0.170 0.000 2.162 812 L HA 0.072 4.414 4.340 0.002 0.000 0.205 812 L C 0.882 177.691 176.870 -0.103 0.000 1.086 812 L CA 0.617 55.390 54.840 -0.112 0.000 0.778 812 L CB -0.215 41.776 42.059 -0.113 0.000 0.928 812 L HN 0.794 nan 8.230 nan 0.000 0.446 813 H N -3.208 115.784 119.070 -0.130 0.000 2.864 813 H HA 0.244 4.802 4.556 0.002 0.000 0.265 813 H C -1.783 173.458 175.328 -0.145 0.000 1.452 813 H CA -0.983 54.935 56.048 -0.216 0.000 1.153 813 H CB 0.781 30.429 29.762 -0.191 0.000 1.792 813 H HN -0.078 nan 8.280 nan 0.000 0.472 814 Y N -0.277 120.176 120.300 0.255 0.000 2.597 814 Y HA 0.696 5.247 4.550 0.002 0.000 0.340 814 Y C -1.868 174.080 175.900 0.081 0.000 1.097 814 Y CA -0.898 57.311 58.100 0.182 0.000 1.037 814 Y CB 1.997 40.463 38.460 0.011 0.000 1.305 814 Y HN 0.711 nan 8.280 nan 0.000 0.463 815 D N 1.298 121.922 120.400 0.373 0.000 2.533 815 D HA 0.736 5.378 4.640 0.002 0.000 0.247 815 D C -1.233 175.244 176.300 0.295 0.000 1.056 815 D CA -0.464 53.688 54.000 0.255 0.000 1.054 815 D CB 2.645 43.574 40.800 0.214 0.000 1.400 815 D HN 0.638 nan 8.370 nan 0.000 0.533 816 I N 0.356 121.048 120.570 0.205 0.000 2.686 816 I HA 0.305 4.476 4.170 0.002 0.000 0.295 816 I C -1.441 174.739 176.117 0.105 0.000 1.114 816 I CA -0.679 60.687 61.300 0.109 0.000 1.038 816 I CB 2.279 40.320 38.000 0.069 0.000 1.238 816 I HN 0.165 nan 8.210 nan 0.000 0.420 817 D N 4.113 124.535 120.400 0.036 0.000 2.469 817 D HA 0.603 5.244 4.640 0.002 0.000 0.251 817 D C -0.173 176.124 176.300 -0.006 0.000 1.173 817 D CA 0.463 54.495 54.000 0.053 0.000 0.882 817 D CB 1.905 42.766 40.800 0.101 0.000 1.129 817 D HN 0.870 nan 8.370 nan 0.000 0.549 818 G N 3.696 112.496 108.800 -0.000 0.000 2.353 818 G HA2 -0.081 3.881 3.960 0.002 0.000 0.615 818 G HA3 -0.081 3.881 3.960 0.002 0.000 0.615 818 G C -2.690 172.199 174.900 -0.018 0.000 1.280 818 G CA -0.951 44.138 45.100 -0.019 0.000 1.000 818 G HN 0.314 nan 8.290 nan 0.000 0.516 819 P HA 0.374 nan 4.420 nan 0.000 0.256 819 P C -0.375 176.916 177.300 -0.016 0.000 1.688 819 P CA 0.526 63.615 63.100 -0.019 0.000 1.162 819 P CB -0.039 31.647 31.700 -0.023 0.000 1.870 820 M N 2.525 122.115 119.600 -0.016 0.000 2.471 820 M HA 0.347 4.829 4.480 0.002 0.000 0.284 820 M C -1.996 174.293 176.300 -0.019 0.000 1.203 820 M CA -0.551 54.735 55.300 -0.024 0.000 0.915 820 M CB 2.626 35.204 32.600 -0.036 0.000 1.734 820 M HN -0.046 nan 8.290 nan 0.000 0.485 821 N N 1.832 120.514 118.700 -0.031 0.000 2.249 821 N HA 0.643 5.385 4.740 0.002 0.000 0.296 821 N C -1.900 173.578 175.510 -0.054 0.000 1.051 821 N CA -0.286 52.751 53.050 -0.022 0.000 0.815 821 N CB 2.375 40.849 38.487 -0.022 0.000 1.487 821 N HN 0.670 nan 8.380 nan 0.000 0.475 822 c N 0.351 118.928 118.600 -0.039 0.000 2.779 822 c HA 0.749 5.321 4.570 0.002 0.000 0.314 822 c C 0.124 174.166 174.090 -0.080 0.000 1.231 822 c CA -0.362 55.885 56.329 -0.138 0.000 1.652 822 c CB 1.995 44.310 42.510 -0.325 0.000 2.198 822 c HN 0.596 nan 8.230 nan 0.000 0.483 823 T N 0.949 115.416 114.554 -0.144 0.000 2.933 823 T HA 0.488 4.840 4.350 0.002 0.000 0.305 823 T C -0.915 173.718 174.700 -0.112 0.000 1.092 823 T CA -0.237 61.821 62.100 -0.069 0.000 1.008 823 T CB 1.711 70.545 68.868 -0.058 0.000 1.102 823 T HN 0.705 nan 8.240 nan 0.000 0.469 824 S N 1.325 116.998 115.700 -0.045 0.000 2.437 824 S HA 0.295 4.767 4.470 0.002 0.000 0.305 824 S C 1.024 175.580 174.600 -0.073 0.000 1.109 824 S CA -0.807 57.349 58.200 -0.074 0.000 1.099 824 S CB 0.685 63.871 63.200 -0.023 0.000 1.004 824 S HN 0.771 nan 8.310 nan 0.000 0.475 825 D N 4.352 124.697 120.400 -0.092 0.000 2.350 825 D HA -0.050 4.591 4.640 0.002 0.000 0.216 825 D C 0.332 176.571 176.300 -0.102 0.000 0.968 825 D CA 1.080 55.029 54.000 -0.084 0.000 0.894 825 D CB -0.152 40.599 40.800 -0.082 0.000 0.909 825 D HN 0.510 nan 8.370 nan 0.000 0.520 826 M N -0.035 119.489 119.600 -0.127 0.000 2.518 826 M HA 0.253 4.735 4.480 0.002 0.000 0.300 826 M C -0.485 175.746 176.300 -0.115 0.000 1.175 826 M CA -0.954 54.258 55.300 -0.148 0.000 0.890 826 M CB 2.955 35.397 32.600 -0.263 0.000 1.710 826 M HN -0.353 nan 8.290 nan 0.000 0.453 827 E N 1.852 121.998 120.200 -0.090 0.000 2.384 827 E HA 0.033 4.385 4.350 0.002 0.000 0.266 827 E C 0.589 177.131 176.600 -0.097 0.000 1.012 827 E CA 0.054 56.412 56.400 -0.070 0.000 0.901 827 E CB 0.754 30.428 29.700 -0.044 0.000 0.967 827 E HN 0.595 nan 8.360 nan 0.000 0.435 828 I N 1.249 121.758 120.570 -0.103 0.000 2.193 828 I HA -0.098 4.074 4.170 0.002 0.000 0.240 828 I C 1.073 177.051 176.117 -0.232 0.000 1.084 828 I CA 1.151 62.351 61.300 -0.167 0.000 1.365 828 I CB -0.426 37.488 38.000 -0.143 0.000 1.064 828 I HN 0.178 nan 8.210 nan 0.000 0.410 829 N N 2.095 120.723 118.700 -0.121 0.000 3.228 829 N HA 0.238 4.979 4.740 0.002 0.000 0.289 829 N C -1.736 173.820 175.510 0.077 0.000 1.419 829 N CA -1.760 51.268 53.050 -0.036 0.000 1.088 829 N CB 0.394 38.908 38.487 0.045 0.000 1.357 829 N HN 0.219 nan 8.380 nan 0.000 0.504 830 P HA -0.134 nan 4.420 nan 0.000 0.217 830 P C 0.972 178.368 177.300 0.161 0.000 1.148 830 P CA 0.765 63.929 63.100 0.107 0.000 0.828 830 P CB 0.545 32.307 31.700 0.102 0.000 0.783 831 L N -1.847 119.545 121.223 0.283 0.000 2.591 831 L HA 0.218 4.559 4.340 0.002 0.000 0.228 831 L C 1.223 178.205 176.870 0.187 0.000 1.133 831 L CA 0.248 55.223 54.840 0.225 0.000 0.880 831 L CB -1.442 40.748 42.059 0.219 0.000 1.033 831 L HN -0.159 nan 8.230 nan 0.000 0.450 832 R N -0.369 120.240 120.500 0.182 0.000 3.913 832 R HA -0.223 4.119 4.340 0.002 0.000 0.308 832 R C 0.240 176.620 176.300 0.134 0.000 1.225 832 R CA 0.431 56.609 56.100 0.129 0.000 0.869 832 R CB -2.275 28.076 30.300 0.084 0.000 1.266 832 R HN 0.315 nan 8.270 nan 0.000 0.534 833 I N 1.722 122.403 120.570 0.185 0.000 3.289 833 I HA -0.218 3.953 4.170 0.002 0.000 0.295 833 I C 1.123 177.315 176.117 0.125 0.000 1.170 833 I CA 0.756 62.145 61.300 0.149 0.000 1.643 833 I CB -0.201 37.903 38.000 0.174 0.000 1.567 833 I HN 0.029 nan 8.210 nan 0.000 0.760 834 K N 4.796 125.248 120.400 0.087 0.000 2.159 834 K HA 0.215 4.536 4.320 0.002 0.000 0.242 834 K C 0.554 177.192 176.600 0.064 0.000 1.043 834 K CA -0.358 55.971 56.287 0.070 0.000 0.856 834 K CB 0.949 33.480 32.500 0.050 0.000 1.072 834 K HN 0.412 nan 8.250 nan 0.000 0.514 835 I N 0.318 120.920 120.570 0.054 0.000 3.524 835 I HA -0.144 4.028 4.170 0.002 0.000 0.239 835 I C 0.103 176.242 176.117 0.036 0.000 1.291 835 I CA 0.411 61.738 61.300 0.045 0.000 1.048 835 I CB 0.567 38.591 38.000 0.040 0.000 1.528 835 I HN 0.370 nan 8.210 nan 0.000 0.814 836 S N 2.303 118.021 115.700 0.030 0.000 2.430 836 S HA 0.084 4.555 4.470 0.002 0.000 0.282 836 S C -0.042 174.570 174.600 0.020 0.000 1.186 836 S CA -0.483 57.732 58.200 0.024 0.000 1.060 836 S CB 0.008 63.222 63.200 0.023 0.000 0.966 836 S HN 0.579 nan 8.310 nan 0.000 0.501 837 S N 4.651 120.362 115.700 0.018 0.000 3.489 837 S HA 0.380 4.851 4.470 0.002 0.000 0.227 837 S C 0.257 174.863 174.600 0.010 0.000 1.360 837 S CA -0.805 57.403 58.200 0.014 0.000 0.934 837 S CB -0.518 62.691 63.200 0.014 0.000 1.410 837 S HN 0.527 nan 8.310 nan 0.000 0.483 869 I N 0.005 120.624 120.570 0.081 0.000 3.554 869 I HA 0.137 4.309 4.170 0.002 0.000 0.321 869 I C 0.028 176.283 176.117 0.230 0.000 1.484 869 I CA 0.156 61.549 61.300 0.156 0.000 0.975 869 I CB 0.519 38.630 38.000 0.186 0.000 1.528 869 I HN 0.036 nan 8.210 nan 0.000 0.609 870 H N -0.790 118.302 119.070 0.036 0.000 1.985 870 H HA 0.451 5.009 4.556 0.002 0.000 0.159 870 H C -0.028 175.315 175.328 0.024 0.000 1.010 870 H CA 0.958 57.007 56.048 0.001 0.000 1.075 870 H CB 0.770 30.493 29.762 -0.064 0.000 0.963 870 H HN 0.034 nan 8.280 nan 0.000 0.330 871 T N 3.508 118.041 114.554 -0.036 0.000 2.747 871 T HA 0.351 4.703 4.350 0.002 0.000 0.301 871 T C -0.141 174.469 174.700 -0.149 0.000 0.952 871 T CA -0.331 61.689 62.100 -0.134 0.000 0.983 871 T CB 0.041 68.863 68.868 -0.076 0.000 0.930 871 T HN 0.189 nan 8.240 nan 0.000 0.494 872 L N 4.149 125.241 121.223 -0.219 0.000 2.397 872 L HA 0.449 4.790 4.340 0.002 0.000 0.263 872 L C 1.150 177.903 176.870 -0.195 0.000 1.136 872 L CA -0.568 54.103 54.840 -0.281 0.000 1.019 872 L CB -0.081 41.723 42.059 -0.425 0.000 1.352 872 L HN 0.696 nan 8.230 nan 0.000 0.420 873 G N -0.174 108.551 108.800 -0.125 0.000 2.671 873 G HA2 0.229 4.190 3.960 0.002 0.000 0.275 873 G HA3 0.229 4.190 3.960 0.002 0.000 0.275 873 G C 0.613 175.485 174.900 -0.046 0.000 1.368 873 G CA -0.340 44.705 45.100 -0.090 0.000 1.044 873 G HN 0.470 nan 8.290 nan 0.000 0.543 874 c N -0.417 118.170 118.600 -0.022 0.000 2.495 874 c HA 0.158 4.729 4.570 0.002 0.000 0.275 874 c C 2.928 177.030 174.090 0.020 0.000 1.392 874 c CA 0.688 57.024 56.329 0.012 0.000 1.766 874 c CB -0.910 41.613 42.510 0.021 0.000 1.933 874 c HN 0.846 nan 8.230 nan 0.000 0.519 875 G N 0.582 109.387 108.800 0.009 0.000 2.432 875 G HA2 -0.111 3.850 3.960 0.002 0.000 0.219 875 G HA3 -0.111 3.850 3.960 0.002 0.000 0.219 875 G C 1.396 176.315 174.900 0.032 0.000 1.135 875 G CA 1.770 46.878 45.100 0.014 0.000 0.767 875 G HN 0.651 nan 8.290 nan 0.000 0.550 876 V N -4.050 115.889 119.914 0.041 0.000 3.346 876 V HA 0.815 4.936 4.120 0.002 0.000 0.309 876 V C 0.342 176.524 176.094 0.146 0.000 1.457 876 V CA 0.138 62.490 62.300 0.087 0.000 1.069 876 V CB -0.049 31.826 31.823 0.087 0.000 0.944 876 V HN 0.497 nan 8.190 nan 0.000 0.449 877 A N -0.056 122.824 122.820 0.101 0.000 2.498 877 A HA 0.823 5.145 4.320 0.002 0.000 0.298 877 A C -0.740 176.907 177.584 0.104 0.000 1.075 877 A CA -0.844 51.272 52.037 0.131 0.000 0.714 877 A CB 1.417 20.467 19.000 0.083 0.000 1.299 877 A HN 0.364 nan 8.150 nan 0.000 0.407 878 Q N 0.341 120.213 119.800 0.120 0.000 2.255 878 Q HA 0.260 4.602 4.340 0.002 0.000 0.280 878 Q C -0.170 175.984 176.000 0.256 0.000 1.068 878 Q CA 0.525 56.436 55.803 0.181 0.000 0.911 878 Q CB 0.491 29.367 28.738 0.231 0.000 1.157 878 Q HN 0.617 nan 8.270 nan 0.000 0.380 879 c N 3.621 122.321 118.600 0.167 0.000 2.459 879 c HA 0.652 5.224 4.570 0.002 0.000 0.374 879 c C -0.359 173.768 174.090 0.061 0.000 1.241 879 c CA -0.614 55.794 56.329 0.132 0.000 2.352 879 c CB -0.086 42.465 42.510 0.069 0.000 2.490 879 c HN 0.877 nan 8.230 nan 0.000 0.583 880 L N 4.928 126.206 121.223 0.091 0.000 2.372 880 L HA 0.512 4.854 4.340 0.002 0.000 0.274 880 L C -0.802 176.078 176.870 0.016 0.000 0.988 880 L CA -0.248 54.571 54.840 -0.036 0.000 0.833 880 L CB 0.763 42.812 42.059 -0.017 0.000 1.236 880 L HN 0.683 nan 8.230 nan 0.000 0.410 881 K N 6.549 126.924 120.400 -0.042 0.000 2.213 881 K HA 0.548 4.869 4.320 0.002 0.000 0.270 881 K C -1.015 175.526 176.600 -0.097 0.000 1.002 881 K CA -0.409 55.858 56.287 -0.034 0.000 0.868 881 K CB 2.055 34.550 32.500 -0.010 0.000 1.093 881 K HN 0.538 nan 8.250 nan 0.000 0.454 882 I N 3.389 123.875 120.570 -0.139 0.000 2.362 882 I HA 0.238 4.410 4.170 0.002 0.000 0.289 882 I C -0.529 175.424 176.117 -0.273 0.000 0.994 882 I CA -1.105 60.050 61.300 -0.241 0.000 1.158 882 I CB 1.760 39.547 38.000 -0.356 0.000 1.315 882 I HN 0.218 nan 8.210 nan 0.000 0.451 883 V N 5.456 125.200 119.914 -0.282 0.000 2.547 883 V HA 0.457 4.578 4.120 0.002 0.000 0.299 883 V C -0.475 175.432 176.094 -0.311 0.000 1.040 883 V CA -0.432 61.643 62.300 -0.376 0.000 0.913 883 V CB 1.871 33.503 31.823 -0.318 0.000 0.992 883 V HN 0.803 nan 8.190 nan 0.000 0.449 884 c N 3.499 121.907 118.600 -0.320 0.000 2.481 884 c HA 0.589 5.161 4.570 0.002 0.000 0.324 884 c C -0.392 173.600 174.090 -0.165 0.000 1.170 884 c CA -1.062 55.139 56.329 -0.215 0.000 1.361 884 c CB 1.297 43.687 42.510 -0.201 0.000 1.977 884 c HN 0.893 nan 8.230 nan 0.000 0.459 885 Q N 1.664 121.397 119.800 -0.112 0.000 2.303 885 Q HA 0.600 4.941 4.340 0.002 0.000 0.257 885 Q C -0.464 175.504 176.000 -0.054 0.000 0.941 885 Q CA -0.186 55.569 55.803 -0.079 0.000 0.931 885 Q CB 1.153 29.854 28.738 -0.060 0.000 1.215 885 Q HN 0.604 nan 8.270 nan 0.000 0.437 886 V N 2.375 122.265 119.914 -0.040 0.000 2.481 886 V HA 0.568 4.689 4.120 0.002 0.000 0.286 886 V C 0.979 177.091 176.094 0.031 0.000 1.042 886 V CA -0.279 62.023 62.300 0.003 0.000 0.928 886 V CB 1.174 33.022 31.823 0.041 0.000 0.986 886 V HN 0.932 nan 8.190 nan 0.000 0.462 887 G N 3.614 112.433 108.800 0.032 0.000 2.820 887 G HA2 0.138 4.099 3.960 0.002 0.000 0.158 887 G HA3 0.138 4.099 3.960 0.002 0.000 0.158 887 G C 0.159 175.100 174.900 0.068 0.000 1.715 887 G CA -0.285 44.832 45.100 0.028 0.000 1.057 887 G HN 0.640 nan 8.290 nan 0.000 0.525 888 R N -0.250 120.258 120.500 0.013 0.000 2.343 888 R HA 0.461 4.803 4.340 0.002 0.000 0.320 888 R C -1.267 174.941 176.300 -0.152 0.000 0.956 888 R CA -0.409 55.673 56.100 -0.029 0.000 0.836 888 R CB 0.532 30.813 30.300 -0.032 0.000 1.151 888 R HN 0.302 nan 8.270 nan 0.000 0.450 889 L N 4.991 125.975 121.223 -0.399 0.000 2.305 889 L HA 0.334 4.676 4.340 0.002 0.000 0.284 889 L C 0.012 176.587 176.870 -0.491 0.000 1.013 889 L CA -0.832 53.717 54.840 -0.485 0.000 0.819 889 L CB 1.751 43.402 42.059 -0.680 0.000 1.227 889 L HN 0.612 nan 8.230 nan 0.000 0.417 890 D N 2.397 122.640 120.400 -0.261 0.000 2.440 890 D HA 0.128 4.769 4.640 0.002 0.000 0.269 890 D C 0.311 176.512 176.300 -0.164 0.000 1.249 890 D CA -0.491 53.406 54.000 -0.171 0.000 1.055 890 D CB 0.680 41.426 40.800 -0.089 0.000 1.104 890 D HN 0.408 nan 8.370 nan 0.000 0.561 891 R N -0.598 119.851 120.500 -0.086 0.000 2.442 891 R HA 0.308 4.649 4.340 0.002 0.000 0.291 891 R C 0.506 176.765 176.300 -0.068 0.000 1.069 891 R CA 0.442 56.504 56.100 -0.064 0.000 1.022 891 R CB 0.014 30.299 30.300 -0.024 0.000 0.976 891 R HN 0.579 nan 8.270 nan 0.000 0.443 892 G N 2.701 111.458 108.800 -0.070 0.000 2.212 892 G HA2 -0.207 3.754 3.960 0.002 0.000 0.255 892 G HA3 -0.207 3.754 3.960 0.002 0.000 0.255 892 G C -0.626 174.232 174.900 -0.071 0.000 1.062 892 G CA 0.154 45.218 45.100 -0.060 0.000 0.815 892 G HN 0.604 nan 8.290 nan 0.000 0.497 893 K N -0.689 119.651 120.400 -0.099 0.000 2.439 893 K HA 0.888 5.209 4.320 0.002 0.000 0.260 893 K C 0.005 176.535 176.600 -0.116 0.000 1.032 893 K CA 0.017 56.243 56.287 -0.102 0.000 0.882 893 K CB 2.026 34.454 32.500 -0.119 0.000 1.420 893 K HN 0.916 nan 8.250 nan 0.000 0.455 894 S N -1.346 114.294 115.700 -0.100 0.000 2.611 894 S HA 0.796 5.268 4.470 0.002 0.000 0.268 894 S C -1.466 173.085 174.600 -0.082 0.000 1.156 894 S CA -1.024 57.118 58.200 -0.097 0.000 0.817 894 S CB 1.589 64.740 63.200 -0.081 0.000 1.122 894 S HN 0.693 nan 8.310 nan 0.000 0.466 895 A N 0.472 123.244 122.820 -0.080 0.000 2.380 895 A HA 0.926 5.248 4.320 0.002 0.000 0.315 895 A C -0.987 176.535 177.584 -0.103 0.000 1.101 895 A CA -0.890 51.102 52.037 -0.074 0.000 0.771 895 A CB 0.764 19.730 19.000 -0.056 0.000 1.287 895 A HN 0.860 nan 8.150 nan 0.000 0.436 896 I N 1.540 122.025 120.570 -0.142 0.000 2.571 896 I HA 0.294 4.465 4.170 0.002 0.000 0.289 896 I C -1.028 174.897 176.117 -0.320 0.000 1.115 896 I CA -0.271 60.871 61.300 -0.263 0.000 1.045 896 I CB 1.973 39.719 38.000 -0.423 0.000 1.238 896 I HN 0.546 nan 8.210 nan 0.000 0.424 897 L N 6.665 127.749 121.223 -0.232 0.000 2.275 897 L HA 0.446 4.787 4.340 0.002 0.000 0.288 897 L C -1.340 175.473 176.870 -0.094 0.000 1.046 897 L CA -0.487 54.288 54.840 -0.109 0.000 0.805 897 L CB 0.908 42.956 42.059 -0.019 0.000 1.193 897 L HN 0.565 nan 8.230 nan 0.000 0.426 898 Y N 4.267 124.662 120.300 0.158 0.000 2.721 898 Y HA 0.279 4.830 4.550 0.002 0.000 0.328 898 Y C -0.004 176.021 175.900 0.209 0.000 1.003 898 Y CA -0.908 57.292 58.100 0.167 0.000 1.275 898 Y CB 1.448 39.991 38.460 0.138 0.000 1.097 898 Y HN 0.212 nan 8.280 nan 0.000 0.514 899 V N 4.608 124.720 119.914 0.330 0.000 2.432 899 V HA 0.163 4.284 4.120 0.002 0.000 0.271 899 V C 0.170 176.348 176.094 0.141 0.000 1.046 899 V CA -0.710 61.704 62.300 0.191 0.000 0.945 899 V CB 1.186 33.021 31.823 0.020 0.000 0.992 899 V HN 0.474 nan 8.190 nan 0.000 0.471 900 K N 4.486 124.911 120.400 0.041 0.000 2.423 900 K HA 0.342 4.663 4.320 0.002 0.000 0.234 900 K C 0.384 176.926 176.600 -0.098 0.000 1.051 900 K CA -0.044 56.209 56.287 -0.057 0.000 1.021 900 K CB 1.204 33.546 32.500 -0.264 0.000 1.474 900 K HN 0.869 nan 8.250 nan 0.000 0.474 901 S N 3.030 118.745 115.700 0.025 0.000 2.414 901 S HA 0.598 5.070 4.470 0.002 0.000 0.267 901 S C -0.328 174.365 174.600 0.155 0.000 1.165 901 S CA -0.629 57.628 58.200 0.095 0.000 1.028 901 S CB 0.652 64.034 63.200 0.303 0.000 1.154 901 S HN 0.337 nan 8.310 nan 0.000 0.472 902 L N 0.127 121.496 121.223 0.244 0.000 2.751 902 L HA 0.416 4.758 4.340 0.002 0.000 0.261 902 L C -1.517 175.485 176.870 0.221 0.000 0.927 902 L CA -0.422 54.548 54.840 0.216 0.000 0.968 902 L CB 1.776 44.001 42.059 0.276 0.000 1.432 902 L HN 0.796 nan 8.230 nan 0.000 0.439 903 L N 4.769 126.047 121.223 0.091 0.000 2.600 903 L HA 0.149 4.491 4.340 0.002 0.000 0.278 903 L C -0.466 176.414 176.870 0.017 0.000 1.139 903 L CA 0.467 55.322 54.840 0.025 0.000 0.933 903 L CB -0.183 41.813 42.059 -0.105 0.000 1.266 903 L HN 0.674 nan 8.230 nan 0.000 0.471 904 W N 6.161 127.414 121.300 -0.078 0.000 2.489 904 W HA -0.028 4.633 4.660 0.002 0.000 0.327 904 W C 0.298 176.685 176.519 -0.219 0.000 1.436 904 W CA 0.028 57.316 57.345 -0.094 0.000 1.315 904 W CB 0.593 30.027 29.460 -0.042 0.000 1.373 904 W HN 0.668 nan 8.180 nan 0.000 0.557 905 T N 4.144 118.374 114.554 -0.539 0.000 3.400 905 T HA -0.132 4.219 4.350 0.002 0.000 0.254 905 T C 0.833 175.186 174.700 -0.579 0.000 1.153 905 T CA 0.542 62.124 62.100 -0.863 0.000 1.012 905 T CB -0.266 67.472 68.868 -1.884 0.000 0.994 905 T HN 0.321 nan 8.240 nan 0.000 0.555 906 E N 1.020 121.136 120.200 -0.139 0.000 2.438 906 E HA 0.051 4.402 4.350 0.002 0.000 0.192 906 E C 1.176 177.839 176.600 0.105 0.000 1.110 906 E CA 0.149 56.622 56.400 0.123 0.000 0.893 906 E CB -0.417 29.477 29.700 0.322 0.000 0.990 906 E HN 0.246 nan 8.360 nan 0.000 0.490 907 T N 0.821 115.309 114.554 -0.109 0.000 3.434 907 T HA 0.079 4.431 4.350 0.002 0.000 0.249 907 T C -0.419 174.345 174.700 0.107 0.000 1.050 907 T CA 0.087 62.181 62.100 -0.009 0.000 0.952 907 T CB -0.437 68.344 68.868 -0.146 0.000 1.046 907 T HN -0.039 nan 8.240 nan 0.000 0.590 908 F N 2.241 122.333 119.950 0.236 0.000 2.388 908 F HA 0.653 5.181 4.527 0.002 0.000 0.358 908 F C 0.260 176.239 175.800 0.298 0.000 1.122 908 F CA -1.597 56.603 58.000 0.335 0.000 1.056 908 F CB 0.834 40.002 39.000 0.282 0.000 1.155 908 F HN -0.032 nan 8.300 nan 0.000 0.461 909 M N 3.609 123.529 119.600 0.534 0.000 2.562 909 M HA 0.206 4.687 4.480 0.002 0.000 0.281 909 M C -0.459 175.924 176.300 0.138 0.000 1.195 909 M CA -0.253 55.219 55.300 0.287 0.000 0.888 909 M CB 2.557 35.312 32.600 0.259 0.000 1.731 909 M HN 0.615 nan 8.290 nan 0.000 0.493 910 N N -0.009 118.725 118.700 0.057 0.000 1.863 910 N HA -0.036 4.706 4.740 0.002 0.000 0.241 910 N C 0.588 176.081 175.510 -0.028 0.000 1.395 910 N CA -0.209 52.814 53.050 -0.046 0.000 0.765 910 N CB 0.142 38.571 38.487 -0.097 0.000 1.120 910 N HN 0.638 nan 8.380 nan 0.000 0.510 911 K N 1.444 121.851 120.400 0.011 0.000 2.362 911 K HA -0.058 4.263 4.320 0.002 0.000 0.200 911 K C -0.804 175.802 176.600 0.009 0.000 1.046 911 K CA 0.972 57.265 56.287 0.010 0.000 0.952 911 K CB 0.118 32.634 32.500 0.028 0.000 0.753 911 K HN 0.397 nan 8.250 nan 0.000 0.466 912 E N 1.466 121.677 120.200 0.018 0.000 2.145 912 E HA 0.190 4.541 4.350 0.002 0.000 0.262 912 E C -0.248 176.353 176.600 0.001 0.000 0.883 912 E CA -0.758 55.654 56.400 0.021 0.000 0.748 912 E CB 0.891 30.622 29.700 0.051 0.000 1.140 912 E HN 0.362 nan 8.360 nan 0.000 0.417 913 N N 2.420 121.108 118.700 -0.021 0.000 1.302 913 N HA -0.377 4.364 4.740 0.002 0.000 0.094 913 N C -0.794 174.652 175.510 -0.108 0.000 0.767 913 N CA 1.019 54.037 53.050 -0.053 0.000 0.827 913 N CB -0.438 38.033 38.487 -0.026 0.000 0.888 913 N HN 0.642 nan 8.380 nan 0.000 0.726 914 Q N 0.133 119.830 119.800 -0.172 0.000 2.390 914 Q HA 0.194 4.536 4.340 0.002 0.000 0.249 914 Q C -0.600 175.284 176.000 -0.193 0.000 0.996 914 Q CA -0.493 55.119 55.803 -0.319 0.000 0.899 914 Q CB 0.523 28.903 28.738 -0.597 0.000 1.216 914 Q HN 0.453 nan 8.270 nan 0.000 0.465 915 N N 4.585 123.189 118.700 -0.161 0.000 2.415 915 N HA -0.010 4.731 4.740 0.002 0.000 0.250 915 N C -1.011 174.497 175.510 -0.002 0.000 1.127 915 N CA 0.349 53.413 53.050 0.024 0.000 0.945 915 N CB 0.270 38.821 38.487 0.107 0.000 1.196 915 N HN 0.670 nan 8.380 nan 0.000 0.499 916 H N -0.012 118.973 119.070 -0.140 0.000 2.950 916 H HA 0.258 4.816 4.556 0.002 0.000 0.272 916 H C -0.715 174.481 175.328 -0.221 0.000 1.495 916 H CA -0.699 55.367 56.048 0.030 0.000 1.183 916 H CB -0.191 29.537 29.762 -0.056 0.000 1.867 916 H HN 0.206 nan 8.280 nan 0.000 0.597 917 S N 0.386 115.929 115.700 -0.261 0.000 4.418 917 S HA -0.184 4.287 4.470 0.002 0.000 0.200 917 S C -1.260 173.076 174.600 -0.441 0.000 0.535 917 S CA 0.833 58.836 58.200 -0.329 0.000 1.285 917 S CB -1.857 61.183 63.200 -0.268 0.000 2.121 917 S HN 0.421 nan 8.310 nan 0.000 0.326 918 Y N 0.554 120.740 120.300 -0.189 0.000 2.425 918 Y HA 0.548 5.100 4.550 0.002 0.000 0.344 918 Y C 0.320 175.985 175.900 -0.391 0.000 0.969 918 Y CA -1.474 56.452 58.100 -0.290 0.000 1.052 918 Y CB 2.245 40.583 38.460 -0.203 0.000 1.215 918 Y HN 0.465 nan 8.280 nan 0.000 0.451 919 S N 4.631 120.173 115.700 -0.263 0.000 2.426 919 S HA 0.465 4.936 4.470 0.002 0.000 0.236 919 S C -0.881 173.585 174.600 -0.224 0.000 1.368 919 S CA -0.606 57.417 58.200 -0.295 0.000 1.154 919 S CB -0.557 62.422 63.200 -0.368 0.000 1.037 919 S HN 0.595 nan 8.310 nan 0.000 0.481 920 L N 4.303 125.401 121.223 -0.210 0.000 2.477 920 L HA 0.305 4.647 4.340 0.002 0.000 0.272 920 L C 0.476 177.233 176.870 -0.188 0.000 1.157 920 L CA 0.069 54.776 54.840 -0.222 0.000 0.889 920 L CB 0.297 42.219 42.059 -0.228 0.000 1.158 920 L HN 0.501 nan 8.230 nan 0.000 0.473 921 K N 2.312 122.599 120.400 -0.189 0.000 2.221 921 K HA 0.628 4.949 4.320 0.002 0.000 0.243 921 K C -0.681 175.829 176.600 -0.150 0.000 0.968 921 K CA -0.521 55.689 56.287 -0.128 0.000 0.846 921 K CB 1.913 34.353 32.500 -0.101 0.000 1.141 921 K HN 0.616 nan 8.250 nan 0.000 0.434 922 S N 0.704 116.385 115.700 -0.031 0.000 2.543 922 S HA 0.522 4.994 4.470 0.002 0.000 0.271 922 S C -1.284 173.416 174.600 0.166 0.000 1.148 922 S CA -0.771 57.441 58.200 0.020 0.000 0.914 922 S CB 1.270 64.492 63.200 0.036 0.000 1.096 922 S HN 0.608 nan 8.310 nan 0.000 0.471 923 S N 1.823 117.591 115.700 0.113 0.000 2.638 923 S HA 0.979 5.450 4.470 0.002 0.000 0.302 923 S C -0.479 174.114 174.600 -0.011 0.000 1.096 923 S CA -0.732 57.529 58.200 0.101 0.000 0.953 923 S CB 1.606 64.835 63.200 0.049 0.000 1.107 923 S HN 2.000 nan 8.310 nan 0.000 0.503 924 A N 1.238 124.034 122.820 -0.040 0.000 2.429 924 A HA 0.769 5.090 4.320 0.002 0.000 0.289 924 A C -0.282 177.299 177.584 -0.005 0.000 1.043 924 A CA -0.571 51.360 52.037 -0.176 0.000 0.722 924 A CB 1.126 19.734 19.000 -0.653 0.000 1.243 924 A HN 1.547 nan 8.150 nan 0.000 0.415 925 S N 1.113 116.825 115.700 0.020 0.000 2.607 925 S HA 0.943 5.414 4.470 0.002 0.000 0.303 925 S C -0.511 174.155 174.600 0.110 0.000 1.086 925 S CA -0.631 57.591 58.200 0.038 0.000 0.995 925 S CB 1.455 64.633 63.200 -0.037 0.000 1.084 925 S HN 1.688 nan 8.310 nan 0.000 0.507 926 F N -0.124 119.821 119.950 -0.009 0.000 2.576 926 F HA 0.829 5.357 4.527 0.002 0.000 0.313 926 F C -1.124 174.647 175.800 -0.049 0.000 1.078 926 F CA -1.035 56.950 58.000 -0.025 0.000 0.921 926 F CB 1.470 40.448 39.000 -0.036 0.000 1.232 926 F HN 0.614 nan 8.300 nan 0.000 0.459 927 N N 2.009 120.736 118.700 0.046 0.000 2.448 927 N HA 0.481 5.222 4.740 0.002 0.000 0.279 927 N C -1.884 173.586 175.510 -0.066 0.000 1.025 927 N CA -0.552 52.445 53.050 -0.089 0.000 0.898 927 N CB 2.126 40.560 38.487 -0.088 0.000 1.303 927 N HN 0.610 nan 8.380 nan 0.000 0.495 928 V N 5.905 125.748 119.914 -0.119 0.000 2.389 928 V HA 0.177 4.298 4.120 0.002 0.000 0.264 928 V C 1.671 177.554 176.094 -0.352 0.000 1.049 928 V CA -0.281 61.783 62.300 -0.393 0.000 0.932 928 V CB 0.208 31.762 31.823 -0.449 0.000 1.011 928 V HN 0.730 nan 8.190 nan 0.000 0.475 929 I N 0.800 121.146 120.570 -0.373 0.000 3.526 929 I HA 0.460 4.631 4.170 0.002 0.000 0.294 929 I C 0.479 176.445 176.117 -0.252 0.000 1.229 929 I CA 0.511 61.667 61.300 -0.240 0.000 1.408 929 I CB 0.516 38.422 38.000 -0.156 0.000 1.127 929 I HN 0.494 nan 8.210 nan 0.000 0.439 930 E N 0.733 120.681 120.200 -0.421 0.000 2.321 930 E HA 0.491 4.843 4.350 0.002 0.000 0.281 930 E C -1.719 174.614 176.600 -0.444 0.000 0.910 930 E CA -0.584 55.633 56.400 -0.304 0.000 0.770 930 E CB 2.476 32.098 29.700 -0.131 0.000 1.225 930 E HN 0.038 nan 8.360 nan 0.000 0.417 931 F N 2.037 121.946 119.950 -0.069 0.000 2.541 931 F HA 0.402 4.930 4.527 0.002 0.000 0.331 931 F C -1.375 174.280 175.800 -0.242 0.000 1.057 931 F CA -1.832 56.063 58.000 -0.175 0.000 0.975 931 F CB 1.058 39.917 39.000 -0.235 0.000 1.246 931 F HN 0.302 nan 8.300 nan 0.000 0.484 932 P HA 0.060 nan 4.420 nan 0.000 0.257 932 P C 0.291 177.581 177.300 -0.017 0.000 1.325 932 P CA 0.905 63.923 63.100 -0.136 0.000 0.850 932 P CB -0.096 31.538 31.700 -0.111 0.000 1.324 933 Y N 1.195 121.589 120.300 0.157 0.000 2.230 933 Y HA 0.024 4.576 4.550 0.002 0.000 0.294 933 Y C 1.989 177.937 175.900 0.080 0.000 1.120 933 Y CA -0.047 58.109 58.100 0.094 0.000 1.129 933 Y CB -0.315 38.182 38.460 0.062 0.000 1.040 933 Y HN -0.201 nan 8.280 nan 0.000 0.519 934 K N -1.009 119.523 120.400 0.220 0.000 3.686 934 K HA -0.375 3.947 4.320 0.002 0.000 0.314 934 K C 0.784 177.456 176.600 0.119 0.000 0.792 934 K CA 1.970 58.344 56.287 0.145 0.000 1.352 934 K CB -1.417 31.147 32.500 0.107 0.000 1.444 934 K HN 0.270 nan 8.250 nan 0.000 0.456 935 N N 0.369 119.143 118.700 0.124 0.000 2.336 935 N HA 0.209 4.951 4.740 0.002 0.000 0.189 935 N C -0.215 175.336 175.510 0.068 0.000 1.113 935 N CA 0.215 53.314 53.050 0.081 0.000 0.858 935 N CB 0.432 38.958 38.487 0.066 0.000 0.970 935 N HN 0.137 nan 8.380 nan 0.000 0.471 936 L N 0.731 122.010 121.223 0.092 0.000 2.331 936 L HA 0.520 4.862 4.340 0.002 0.000 0.275 936 L C -2.108 174.793 176.870 0.051 0.000 1.022 936 L CA -2.096 52.778 54.840 0.056 0.000 0.812 936 L CB 1.624 43.707 42.059 0.040 0.000 1.257 936 L HN -0.064 nan 8.230 nan 0.000 0.435 937 P HA 0.147 nan 4.420 nan 0.000 0.268 937 P C -0.717 176.581 177.300 -0.005 0.000 1.204 937 P CA 0.199 63.311 63.100 0.020 0.000 0.768 937 P CB 0.422 32.131 31.700 0.015 0.000 0.842 938 I N -0.575 119.997 120.570 0.003 0.000 3.617 938 I HA 0.777 4.949 4.170 0.002 0.000 0.283 938 I C -0.532 175.602 176.117 0.029 0.000 1.160 938 I CA -1.285 59.989 61.300 -0.043 0.000 1.084 938 I CB 1.969 39.986 38.000 0.029 0.000 1.365 938 I HN 0.135 nan 8.210 nan 0.000 0.494 939 E N -0.560 119.692 120.200 0.088 0.000 2.429 939 E HA 0.392 4.743 4.350 0.002 0.000 0.280 939 E C -2.030 174.675 176.600 0.176 0.000 1.068 939 E CA -0.697 55.763 56.400 0.101 0.000 0.837 939 E CB 1.036 30.775 29.700 0.066 0.000 1.357 939 E HN 0.407 nan 8.360 nan 0.000 0.455 940 D N 0.756 121.219 120.400 0.104 0.000 2.317 940 D HA 0.361 5.003 4.640 0.002 0.000 0.234 940 D C -0.475 175.857 176.300 0.054 0.000 1.112 940 D CA -0.267 53.779 54.000 0.076 0.000 0.840 940 D CB 0.637 41.443 40.800 0.009 0.000 1.078 940 D HN 0.310 nan 8.370 nan 0.000 0.486 941 I N 2.574 123.196 120.570 0.087 0.000 2.441 941 I HA 0.227 4.398 4.170 0.002 0.000 0.287 941 I C 0.237 176.285 176.117 -0.115 0.000 1.049 941 I CA 0.177 61.530 61.300 0.089 0.000 1.381 941 I CB 0.826 38.982 38.000 0.260 0.000 1.409 941 I HN 0.197 nan 8.210 nan 0.000 0.523 942 T N 4.582 118.977 114.554 -0.265 0.000 2.932 942 T HA 0.504 4.856 4.350 0.002 0.000 0.318 942 T C -0.733 173.623 174.700 -0.574 0.000 1.265 942 T CA -0.998 60.752 62.100 -0.583 0.000 1.036 942 T CB 2.263 70.939 68.868 -0.321 0.000 1.209 942 T HN 0.591 nan 8.240 nan 0.000 0.484 943 N N -0.065 118.163 118.700 -0.786 0.000 4.173 943 N HA 0.520 5.261 4.740 0.002 0.000 0.218 943 N C -1.617 173.737 175.510 -0.259 0.000 1.312 943 N CA -0.140 52.698 53.050 -0.353 0.000 0.834 943 N CB 1.796 40.229 38.487 -0.091 0.000 1.467 943 N HN 0.977 nan 8.380 nan 0.000 0.468 944 S N -0.840 114.840 115.700 -0.033 0.000 2.757 944 S HA 0.832 5.304 4.470 0.002 0.000 0.285 944 S C -0.961 173.695 174.600 0.094 0.000 1.196 944 S CA -0.381 57.851 58.200 0.053 0.000 0.856 944 S CB 2.369 65.569 63.200 -0.001 0.000 1.212 944 S HN 0.771 nan 8.310 nan 0.000 0.516 945 T N -0.037 114.584 114.554 0.112 0.000 2.722 945 T HA 0.565 4.917 4.350 0.002 0.000 0.314 945 T C -2.187 172.599 174.700 0.143 0.000 1.675 945 T CA -0.596 61.574 62.100 0.116 0.000 1.003 945 T CB 1.019 69.971 68.868 0.141 0.000 1.602 945 T HN 1.398 nan 8.240 nan 0.000 0.496 946 L N 0.686 121.974 121.223 0.107 0.000 2.376 946 L HA 1.048 5.389 4.340 0.002 0.000 0.258 946 L C -1.026 175.871 176.870 0.044 0.000 1.013 946 L CA -1.218 53.688 54.840 0.110 0.000 0.822 946 L CB 1.889 43.976 42.059 0.047 0.000 1.388 946 L HN 0.607 nan 8.230 nan 0.000 0.413 947 V N -0.793 119.133 119.914 0.019 0.000 2.686 947 V HA 0.785 4.907 4.120 0.002 0.000 0.306 947 V C -0.213 175.769 176.094 -0.187 0.000 1.065 947 V CA 0.344 62.548 62.300 -0.160 0.000 0.894 947 V CB 1.754 33.354 31.823 -0.371 0.000 1.004 947 V HN 1.081 nan 8.190 nan 0.000 0.424 948 T N 1.638 116.064 114.554 -0.214 0.000 2.952 948 T HA 0.766 5.118 4.350 0.002 0.000 0.286 948 T C -0.123 174.444 174.700 -0.221 0.000 1.024 948 T CA -0.707 61.281 62.100 -0.187 0.000 1.029 948 T CB 1.790 70.553 68.868 -0.175 0.000 1.094 948 T HN 0.893 nan 8.240 nan 0.000 0.515 949 T N 2.526 116.976 114.554 -0.174 0.000 3.038 949 T HA 0.376 4.727 4.350 0.002 0.000 0.344 949 T C -0.772 173.777 174.700 -0.251 0.000 1.054 949 T CA -0.805 61.193 62.100 -0.170 0.000 1.092 949 T CB 0.224 69.072 68.868 -0.033 0.000 1.031 949 T HN 0.531 nan 8.240 nan 0.000 0.482 950 N N 2.151 120.617 118.700 -0.390 0.000 2.430 950 N HA 0.370 5.111 4.740 0.002 0.000 0.265 950 N C -0.412 174.825 175.510 -0.456 0.000 1.100 950 N CA -0.270 52.499 53.050 -0.468 0.000 0.961 950 N CB 1.426 39.518 38.487 -0.658 0.000 1.075 950 N HN 0.295 nan 8.380 nan 0.000 0.478 951 V N 1.999 121.740 119.914 -0.287 0.000 2.483 951 V HA 0.607 4.729 4.120 0.002 0.000 0.295 951 V C 0.384 176.356 176.094 -0.203 0.000 1.035 951 V CA -0.282 61.862 62.300 -0.260 0.000 0.896 951 V CB 1.487 33.191 31.823 -0.198 0.000 0.986 951 V HN 0.908 nan 8.190 nan 0.000 0.447 952 T N 0.621 115.042 114.554 -0.222 0.000 2.754 952 T HA 0.644 4.996 4.350 0.002 0.000 0.296 952 T C -1.741 172.936 174.700 -0.039 0.000 1.205 952 T CA -0.817 61.271 62.100 -0.020 0.000 1.009 952 T CB 1.551 70.502 68.868 0.139 0.000 1.368 952 T HN 0.403 nan 8.240 nan 0.000 0.509 953 W N -0.364 121.040 121.300 0.173 0.000 2.619 953 W HA 0.678 5.340 4.660 0.002 0.000 0.327 953 W C 0.822 177.455 176.519 0.189 0.000 1.027 953 W CA -0.692 56.767 57.345 0.189 0.000 1.233 953 W CB 1.894 31.444 29.460 0.150 0.000 1.370 953 W HN 1.077 nan 8.180 nan 0.000 0.453 954 G N 1.148 110.175 108.800 0.377 0.000 2.556 954 G HA2 0.033 3.994 3.960 0.002 0.000 0.209 954 G HA3 0.033 3.994 3.960 0.002 0.000 0.209 954 G C 0.422 175.421 174.900 0.164 0.000 1.159 954 G CA 0.343 45.567 45.100 0.206 0.000 0.828 954 G HN 0.319 nan 8.290 nan 0.000 0.553 955 I N 2.906 123.589 120.570 0.188 0.000 3.555 955 I HA 0.193 4.364 4.170 0.002 0.000 0.343 955 I C 0.766 177.003 176.117 0.201 0.000 1.426 955 I CA -0.961 60.428 61.300 0.148 0.000 1.157 955 I CB 0.109 38.178 38.000 0.115 0.000 1.526 955 I HN 0.189 nan 8.210 nan 0.000 0.461 956 Q N 0.000 119.926 119.800 0.210 0.000 2.315 956 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 956 Q CA 0.000 55.872 55.803 0.115 0.000 1.022 956 Q CB 0.000 28.751 28.738 0.021 0.000 1.108 956 Q HN 0.000 nan 8.270 nan 0.000 0.481