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 3nwf_1_B DATA FIRST_RESID 111 DATA SEQUENCE ANFYVcPPPT GATVVQFEQP RRcPTRPEGQ NYTEGIAVVF KENIAPYKFK DATA SEQUENCE ATMYYKDVTV SQVWFGHRYS QFMGIFEDRA PVPFEEVIDK INAKGVcRST DATA SEQUENCE AKYVRNNLET TAFHRDDHET DMELKPANAA TRTSRGWHTT DLKYNPSRVX DATA SEQUENCE XXHRYGTTVN cIVEEVDARS VYPYDEFVLA TGDFVYMSPF YGYREGSHTE DATA SEQUENCE HTSYAADRFK QVDGFYARDL TTKARATAPT TRNLLTTPKF TVAWDWVPKR DATA SEQUENCE PSVcTMTKWQ EVDEMLRSEY GGSFRFSSDA ISTTFTTNLT EYPLSRVDLG DATA SEQUENCE DcIGKDARDA MDRIFARRYN ATHIKVGQPQ YYLANGGFLI AYQPLLSNTL DATA SEQUENCE AELYVREHLR EQSRKPXXXX XXXXXXXXXX XVERIKTTSS IEFARLQFTY DATA SEQUENCE NHIQRHVNDM LGRVAIAWcE LQNHELTLWN EARKLNPNAI ASVTVGRRVS DATA SEQUENCE ARMLGDVMAV STcVPVAADN VIVQNSMRIS SRPGAcYSRP LVSFRYEDQG DATA SEQUENCE PLVEGQLGEN NELRLTRDAI EPcTVGHRRY FTFGGGYVYF EEYAYSHQLS DATA SEQUENCE RADITTVSTF IDLNITMLED HEFVPLEVYT RHEIKDSGLL DYTEVQRRNQ DATA SEQUENCE LHDLRFADID TVIH 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 111 A HA 0.000 nan 4.320 nan 0.000 0.244 111 A C 0.000 177.412 177.584 -0.287 0.000 1.274 111 A CA 0.000 51.898 52.037 -0.232 0.000 0.836 111 A CB 0.000 18.793 19.000 -0.346 0.000 0.831 112 N N -1.295 117.127 118.700 -0.464 0.000 2.859 112 N HA 0.644 5.384 4.740 0.000 0.000 0.250 112 N C -2.206 172.807 175.510 -0.829 0.000 1.341 112 N CA -0.208 52.528 53.050 -0.524 0.000 0.881 112 N CB 1.385 39.657 38.487 -0.359 0.000 1.516 112 N HN 0.433 nan 8.380 nan 0.000 0.503 113 F N 1.246 120.906 119.950 -0.483 0.000 2.546 113 F HA 0.535 5.062 4.527 0.000 0.000 0.320 113 F C -0.701 174.724 175.800 -0.624 0.000 1.076 113 F CA -0.486 57.280 58.000 -0.391 0.000 0.928 113 F CB 1.457 40.281 39.000 -0.294 0.000 1.189 113 F HN 0.284 nan 8.300 nan 0.000 0.465 114 Y N 1.249 121.598 120.300 0.082 0.000 2.329 114 Y HA 0.475 5.025 4.550 0.000 0.000 0.328 114 Y C -0.552 175.354 175.900 0.010 0.000 0.992 114 Y CA -1.230 56.891 58.100 0.036 0.000 1.151 114 Y CB 1.592 40.069 38.460 0.028 0.000 1.150 114 Y HN 0.205 nan 8.280 nan 0.000 0.450 115 V N 3.344 123.332 119.914 0.123 0.000 2.446 115 V HA 0.002 4.122 4.120 0.000 0.000 0.276 115 V C -0.097 176.092 176.094 0.157 0.000 1.030 115 V CA -0.123 62.247 62.300 0.116 0.000 1.033 115 V CB -0.083 31.874 31.823 0.223 0.000 0.993 115 V HN 0.908 nan 8.190 nan 0.000 0.477 116 c N 8.498 127.173 118.600 0.125 0.000 2.248 116 c HA 0.352 4.922 4.570 0.000 0.000 0.320 116 c C -1.937 172.207 174.090 0.090 0.000 1.065 116 c CA -1.426 54.966 56.329 0.105 0.000 1.558 116 c CB -0.034 42.529 42.510 0.088 0.000 1.787 116 c HN 0.673 nan 8.230 nan 0.000 0.426 117 P HA 0.239 nan 4.420 nan 0.000 0.281 117 P C -2.543 174.791 177.300 0.056 0.000 1.286 117 P CA -1.185 61.961 63.100 0.076 0.000 0.772 117 P CB 0.274 32.020 31.700 0.076 0.000 0.862 118 P HA -0.062 nan 4.420 nan 0.000 0.263 118 P C -1.980 175.338 177.300 0.029 0.000 1.162 118 P CA -0.057 63.065 63.100 0.036 0.000 0.758 118 P CB -0.855 30.865 31.700 0.034 0.000 0.773 119 P HA 0.071 nan 4.420 nan 0.000 0.272 119 P C -0.541 176.766 177.300 0.012 0.000 1.240 119 P CA -0.009 63.101 63.100 0.016 0.000 0.791 119 P CB 0.429 32.135 31.700 0.009 0.000 0.978 120 T N -3.591 110.968 114.554 0.009 0.000 2.895 120 T HA 0.458 4.808 4.350 0.000 0.000 0.283 120 T C 1.536 176.237 174.700 0.001 0.000 1.014 120 T CA -0.422 61.682 62.100 0.006 0.000 1.037 120 T CB 1.119 69.991 68.868 0.007 0.000 1.006 120 T HN 0.447 nan 8.240 nan 0.000 0.468 121 G N 0.317 109.117 108.800 -0.001 0.000 2.586 121 G HA2 0.082 4.042 3.960 0.000 0.000 0.215 121 G HA3 0.082 4.042 3.960 0.000 0.000 0.215 121 G C 1.466 176.363 174.900 -0.005 0.000 1.128 121 G CA 0.462 45.560 45.100 -0.004 0.000 0.774 121 G HN 1.062 nan 8.290 nan 0.000 0.543 122 A N 0.395 123.213 122.820 -0.003 0.000 1.902 122 A HA 0.096 4.416 4.320 0.000 0.000 0.217 122 A C 1.779 179.361 177.584 -0.005 0.000 1.181 122 A CA 1.703 53.739 52.037 -0.003 0.000 0.623 122 A CB -0.563 18.437 19.000 -0.000 0.000 0.818 122 A HN 0.500 nan 8.150 nan 0.000 0.443 123 T N -0.504 114.047 114.554 -0.005 0.000 2.770 123 T HA 0.578 4.929 4.350 0.000 0.000 0.297 123 T C -0.360 174.331 174.700 -0.014 0.000 0.997 123 T CA -0.261 61.835 62.100 -0.007 0.000 0.949 123 T CB 0.882 69.747 68.868 -0.004 0.000 0.941 123 T HN 0.651 nan 8.240 nan 0.000 0.457 124 V N 0.803 120.706 119.914 -0.018 0.000 3.103 124 V HA 0.995 5.115 4.120 0.000 0.000 0.318 124 V C -0.522 175.551 176.094 -0.035 0.000 1.114 124 V CA -1.094 61.188 62.300 -0.030 0.000 1.020 124 V CB 1.853 33.659 31.823 -0.030 0.000 1.085 124 V HN 0.737 nan 8.190 nan 0.000 0.446 125 V N 1.986 121.865 119.914 -0.058 0.000 2.924 125 V HA 0.495 4.616 4.120 0.000 0.000 0.300 125 V C -1.001 175.023 176.094 -0.118 0.000 1.227 125 V CA -0.438 61.822 62.300 -0.067 0.000 0.954 125 V CB 2.045 33.830 31.823 -0.064 0.000 1.055 125 V HN 1.211 nan 8.190 nan 0.000 0.429 126 Q N 3.826 123.577 119.800 -0.081 0.000 2.394 126 Q HA 0.685 5.025 4.340 0.000 0.000 0.273 126 Q C -1.303 174.710 176.000 0.021 0.000 1.089 126 Q CA -0.751 54.993 55.803 -0.097 0.000 0.812 126 Q CB 2.519 31.235 28.738 -0.037 0.000 1.353 126 Q HN 0.545 nan 8.270 nan 0.000 0.438 127 F N 1.188 121.125 119.950 -0.022 0.000 2.484 127 F HA 0.074 4.601 4.527 0.000 0.000 0.360 127 F C 1.039 176.819 175.800 -0.034 0.000 1.101 127 F CA -0.635 57.342 58.000 -0.038 0.000 1.251 127 F CB 0.918 39.901 39.000 -0.027 0.000 1.132 127 F HN 0.684 nan 8.300 nan 0.000 0.570 128 E N 3.883 124.173 120.200 0.150 0.000 2.417 128 E HA -0.053 4.297 4.350 0.000 0.000 0.261 128 E C -0.345 176.282 176.600 0.045 0.000 1.000 128 E CA -0.744 55.690 56.400 0.057 0.000 0.919 128 E CB 0.597 30.298 29.700 0.003 0.000 0.955 128 E HN 0.433 nan 8.360 nan 0.000 0.455 129 Q N 3.696 123.523 119.800 0.045 0.000 2.471 129 Q HA 0.254 4.594 4.340 0.000 0.000 0.223 129 Q C -2.048 173.963 176.000 0.018 0.000 1.045 129 Q CA -1.792 54.033 55.803 0.038 0.000 0.956 129 Q CB -0.341 28.419 28.738 0.036 0.000 1.249 129 Q HN 0.528 nan 8.270 nan 0.000 0.549 130 P HA 0.004 nan 4.420 nan 0.000 0.267 130 P C -0.298 177.010 177.300 0.013 0.000 1.201 130 P CA 0.462 63.569 63.100 0.012 0.000 0.775 130 P CB 0.560 32.271 31.700 0.018 0.000 0.854 131 R N 1.207 121.715 120.500 0.013 0.000 2.607 131 R HA 0.412 4.752 4.340 0.000 0.000 0.261 131 R C 0.555 176.868 176.300 0.021 0.000 1.051 131 R CA -0.969 55.140 56.100 0.016 0.000 1.110 131 R CB 0.843 31.154 30.300 0.018 0.000 1.158 131 R HN 0.404 nan 8.270 nan 0.000 0.543 132 R N 1.593 122.106 120.500 0.021 0.000 2.220 132 R HA 0.142 4.482 4.340 0.000 0.000 0.340 132 R C -0.933 175.382 176.300 0.025 0.000 1.076 132 R CA -0.262 55.851 56.100 0.022 0.000 0.920 132 R CB 0.120 30.431 30.300 0.018 0.000 1.062 132 R HN 0.561 nan 8.270 nan 0.000 0.469 133 c N 6.566 125.183 118.600 0.027 0.000 2.644 133 c HA 0.273 4.843 4.570 0.000 0.000 0.417 133 c C -1.538 172.567 174.090 0.026 0.000 1.304 133 c CA -0.986 55.362 56.329 0.031 0.000 2.035 133 c CB 0.428 42.957 42.510 0.032 0.000 2.673 133 c HN 0.690 nan 8.230 nan 0.000 0.602 134 P HA 0.210 nan 4.420 nan 0.000 0.271 134 P C -0.334 176.975 177.300 0.015 0.000 1.238 134 P CA 0.086 63.197 63.100 0.019 0.000 0.794 134 P CB 0.277 31.988 31.700 0.018 0.000 0.959 135 T N -2.028 112.533 114.554 0.011 0.000 2.855 135 T HA 0.416 4.766 4.350 0.000 0.000 0.281 135 T C 0.051 174.753 174.700 0.003 0.000 1.007 135 T CA -1.126 60.979 62.100 0.008 0.000 1.009 135 T CB 0.821 69.694 68.868 0.008 0.000 0.983 135 T HN 0.151 nan 8.240 nan 0.000 0.455 136 R N 3.255 123.756 120.500 0.001 0.000 2.446 136 R HA 0.172 4.512 4.340 0.000 0.000 0.325 136 R C -2.157 174.140 176.300 -0.005 0.000 0.997 136 R CA -1.021 55.077 56.100 -0.004 0.000 1.010 136 R CB -0.377 29.921 30.300 -0.004 0.000 0.946 136 R HN 0.538 nan 8.270 nan 0.000 0.422 137 P HA -0.074 nan 4.420 nan 0.000 0.265 137 P C -0.500 176.793 177.300 -0.012 0.000 1.187 137 P CA 0.193 63.288 63.100 -0.009 0.000 0.766 137 P CB 0.492 32.184 31.700 -0.013 0.000 0.820 138 E N 1.760 121.955 120.200 -0.010 0.000 2.493 138 E HA 0.074 4.424 4.350 0.000 0.000 0.255 138 E C 1.139 177.725 176.600 -0.023 0.000 0.999 138 E CA 0.450 56.844 56.400 -0.010 0.000 0.934 138 E CB 0.115 29.810 29.700 -0.007 0.000 0.940 138 E HN 0.538 nan 8.360 nan 0.000 0.473 139 G N 2.703 111.495 108.800 -0.014 0.000 2.647 139 G HA2 -0.052 3.909 3.960 0.000 0.000 0.234 139 G HA3 -0.052 3.909 3.960 0.000 0.000 0.234 139 G C 0.303 175.172 174.900 -0.052 0.000 1.252 139 G CA -0.270 44.822 45.100 -0.013 0.000 0.846 139 G HN 0.439 nan 8.290 nan 0.000 0.589 140 Q N -0.241 119.506 119.800 -0.089 0.000 2.421 140 Q HA 0.133 4.473 4.340 0.000 0.000 0.255 140 Q C -0.285 175.500 176.000 -0.358 0.000 1.013 140 Q CA 0.173 55.797 55.803 -0.300 0.000 0.895 140 Q CB 0.373 28.807 28.738 -0.506 0.000 1.271 140 Q HN 0.538 nan 8.270 nan 0.000 0.460 141 N N 2.729 121.173 118.700 -0.427 0.000 2.457 141 N HA 0.284 5.024 4.740 0.000 0.000 0.250 141 N C -1.515 173.771 175.510 -0.373 0.000 0.982 141 N CA -0.252 52.642 53.050 -0.260 0.000 0.941 141 N CB 0.660 39.078 38.487 -0.116 0.000 1.120 141 N HN 0.414 nan 8.380 nan 0.000 0.505 142 Y N 0.280 120.585 120.300 0.008 0.000 2.360 142 Y HA 0.434 4.985 4.550 0.000 0.000 0.337 142 Y C 0.626 176.551 175.900 0.041 0.000 1.039 142 Y CA -0.861 57.245 58.100 0.009 0.000 1.109 142 Y CB 1.519 39.986 38.460 0.012 0.000 1.201 142 Y HN 0.279 nan 8.280 nan 0.000 0.458 143 T N 2.852 117.518 114.554 0.186 0.000 2.875 143 T HA 0.265 4.615 4.350 0.000 0.000 0.284 143 T C -0.348 174.492 174.700 0.234 0.000 0.995 143 T CA -1.008 61.204 62.100 0.187 0.000 1.060 143 T CB 0.708 69.683 68.868 0.178 0.000 0.967 143 T HN 0.504 nan 8.240 nan 0.000 0.476 144 E N 0.652 120.969 120.200 0.195 0.000 2.343 144 E HA 0.579 4.929 4.350 0.000 0.000 0.269 144 E C 0.204 176.845 176.600 0.070 0.000 1.047 144 E CA -0.646 55.843 56.400 0.148 0.000 0.874 144 E CB 1.242 31.012 29.700 0.118 0.000 1.033 144 E HN 0.804 nan 8.360 nan 0.000 0.409 145 G N 1.261 110.055 108.800 -0.011 0.000 2.576 145 G HA2 0.466 4.426 3.960 0.000 0.000 0.290 145 G HA3 0.466 4.426 3.960 0.000 0.000 0.290 145 G C -1.371 173.367 174.900 -0.270 0.000 1.442 145 G CA -0.805 44.077 45.100 -0.364 0.000 0.792 145 G HN 0.373 nan 8.290 nan 0.000 0.491 146 I N 0.846 121.170 120.570 -0.410 0.000 2.404 146 I HA 0.648 4.818 4.170 0.000 0.000 0.293 146 I C 0.429 176.469 176.117 -0.128 0.000 0.992 146 I CA -0.774 60.397 61.300 -0.216 0.000 1.149 146 I CB 1.942 39.798 38.000 -0.239 0.000 1.315 146 I HN 0.698 nan 8.210 nan 0.000 0.446 147 A N 5.867 128.690 122.820 0.005 0.000 2.380 147 A HA 0.888 5.208 4.320 0.000 0.000 0.315 147 A C -1.105 176.475 177.584 -0.006 0.000 1.101 147 A CA -0.543 51.525 52.037 0.052 0.000 0.771 147 A CB 1.893 20.972 19.000 0.131 0.000 1.287 147 A HN 0.420 nan 8.150 nan 0.000 0.436 148 V N 2.209 122.129 119.914 0.009 0.000 2.488 148 V HA 0.344 4.464 4.120 0.000 0.000 0.293 148 V C -0.518 175.558 176.094 -0.029 0.000 1.027 148 V CA -0.480 61.797 62.300 -0.039 0.000 0.862 148 V CB 1.440 33.278 31.823 0.025 0.000 1.008 148 V HN 0.715 nan 8.190 nan 0.000 0.428 149 V N 5.290 125.121 119.914 -0.139 0.000 2.509 149 V HA 0.562 4.683 4.120 0.000 0.000 0.284 149 V C -0.398 175.663 176.094 -0.055 0.000 1.047 149 V CA -0.323 61.980 62.300 0.006 0.000 0.952 149 V CB 1.293 33.155 31.823 0.065 0.000 0.988 149 V HN 0.613 nan 8.190 nan 0.000 0.469 150 F N 2.890 122.964 119.950 0.205 0.000 2.561 150 F HA 0.736 5.263 4.527 0.000 0.000 0.321 150 F C 0.197 176.088 175.800 0.152 0.000 1.065 150 F CA -0.799 57.310 58.000 0.180 0.000 0.934 150 F CB 2.056 41.111 39.000 0.092 0.000 1.215 150 F HN 0.487 nan 8.300 nan 0.000 0.471 151 K N 0.302 120.842 120.400 0.232 0.000 2.477 151 K HA 0.402 4.722 4.320 0.000 0.000 0.255 151 K C -0.990 175.589 176.600 -0.035 0.000 0.952 151 K CA -1.010 55.257 56.287 -0.033 0.000 0.826 151 K CB 2.227 34.630 32.500 -0.161 0.000 1.331 151 K HN 0.674 nan 8.250 nan 0.000 0.437 152 E N 1.921 122.040 120.200 -0.135 0.000 2.608 152 E HA -0.168 4.182 4.350 0.000 0.000 0.259 152 E C -0.754 175.814 176.600 -0.054 0.000 0.951 152 E CA 0.038 56.378 56.400 -0.101 0.000 0.945 152 E CB 0.407 30.019 29.700 -0.146 0.000 0.916 152 E HN 0.517 nan 8.360 nan 0.000 0.477 153 N N 4.336 123.030 118.700 -0.009 0.000 2.458 153 N HA 0.083 4.823 4.740 0.000 0.000 0.270 153 N C 0.431 175.952 175.510 0.018 0.000 1.102 153 N CA -0.152 52.917 53.050 0.032 0.000 0.967 153 N CB 0.725 39.266 38.487 0.090 0.000 1.078 153 N HN 0.629 nan 8.380 nan 0.000 0.471 154 I N 0.337 120.919 120.570 0.019 0.000 4.323 154 I HA 0.516 4.686 4.170 0.000 0.000 0.328 154 I C 0.500 176.642 176.117 0.042 0.000 1.310 154 I CA -0.484 60.824 61.300 0.012 0.000 1.186 154 I CB 0.219 38.210 38.000 -0.016 0.000 1.130 154 I HN 0.317 nan 8.210 nan 0.000 0.411 155 A N 3.013 125.870 122.820 0.061 0.000 2.425 155 A HA 0.569 4.889 4.320 0.000 0.000 0.242 155 A C -2.402 175.259 177.584 0.128 0.000 1.077 155 A CA -0.760 51.320 52.037 0.073 0.000 0.781 155 A CB -0.712 18.329 19.000 0.067 0.000 1.020 155 A HN 0.218 nan 8.150 nan 0.000 0.494 156 P HA 0.268 nan 4.420 nan 0.000 0.281 156 P C -0.848 176.605 177.300 0.256 0.000 1.249 156 P CA -0.280 62.941 63.100 0.202 0.000 0.810 156 P CB 0.326 32.096 31.700 0.116 0.000 1.008 157 Y N 2.146 122.619 120.300 0.289 0.000 2.526 157 Y HA 0.191 4.741 4.550 0.000 0.000 0.330 157 Y C -0.074 175.928 175.900 0.170 0.000 1.156 157 Y CA 0.498 58.715 58.100 0.194 0.000 1.419 157 Y CB 0.370 38.894 38.460 0.107 0.000 1.250 157 Y HN 0.206 nan 8.280 nan 0.000 0.540 158 K N 7.196 127.247 120.400 -0.583 0.000 2.259 158 K HA 0.587 4.907 4.320 0.000 0.000 0.252 158 K C -1.597 174.693 176.600 -0.518 0.000 0.936 158 K CA -0.453 55.573 56.287 -0.434 0.000 0.810 158 K CB 1.586 33.934 32.500 -0.253 0.000 1.143 158 K HN 0.591 nan 8.250 nan 0.000 0.427 159 F N -1.556 118.077 119.950 -0.528 0.000 2.693 159 F HA 0.539 5.066 4.527 0.000 0.000 0.309 159 F C -1.024 174.648 175.800 -0.214 0.000 1.129 159 F CA -1.429 56.359 58.000 -0.354 0.000 0.948 159 F CB 1.195 40.014 39.000 -0.302 0.000 1.315 159 F HN 0.017 nan 8.300 nan 0.000 0.447 160 K N 1.709 122.070 120.400 -0.064 0.000 2.144 160 K HA 0.823 5.143 4.320 0.000 0.000 0.270 160 K C -0.515 176.072 176.600 -0.022 0.000 1.005 160 K CA -0.551 55.680 56.287 -0.094 0.000 0.932 160 K CB 1.823 34.329 32.500 0.010 0.000 1.021 160 K HN 0.939 nan 8.250 nan 0.000 0.462 161 A N 1.060 123.844 122.820 -0.059 0.000 2.524 161 A HA 0.777 5.097 4.320 0.000 0.000 0.289 161 A C -1.146 176.475 177.584 0.061 0.000 1.248 161 A CA -0.636 51.437 52.037 0.060 0.000 0.712 161 A CB 1.796 20.769 19.000 -0.045 0.000 1.312 161 A HN 0.567 nan 8.150 nan 0.000 0.441 162 T N 1.047 115.656 114.554 0.092 0.000 3.032 162 T HA 0.528 4.878 4.350 0.000 0.000 0.312 162 T C -0.766 173.792 174.700 -0.236 0.000 1.078 162 T CA -0.260 61.781 62.100 -0.100 0.000 1.028 162 T CB 1.063 69.862 68.868 -0.115 0.000 1.091 162 T HN 0.534 nan 8.240 nan 0.000 0.457 163 M N 3.373 122.797 119.600 -0.293 0.000 2.129 163 M HA 0.429 4.909 4.480 0.000 0.000 0.348 163 M C -1.441 174.728 176.300 -0.218 0.000 1.116 163 M CA -0.618 54.614 55.300 -0.113 0.000 1.022 163 M CB 0.897 33.496 32.600 -0.001 0.000 1.599 163 M HN 0.622 nan 8.290 nan 0.000 0.449 164 Y N 4.225 124.709 120.300 0.306 0.000 2.388 164 Y HA 0.518 5.068 4.550 0.000 0.000 0.328 164 Y C -0.437 175.643 175.900 0.300 0.000 0.963 164 Y CA -0.876 57.350 58.100 0.209 0.000 1.240 164 Y CB 0.447 38.999 38.460 0.154 0.000 1.118 164 Y HN 0.629 nan 8.280 nan 0.000 0.484 165 Y N -0.793 119.624 120.300 0.194 0.000 2.900 165 Y HA 0.830 5.380 4.550 0.000 0.000 0.318 165 Y C -1.750 174.192 175.900 0.070 0.000 1.457 165 Y CA -2.029 56.148 58.100 0.129 0.000 1.082 165 Y CB 1.632 40.170 38.460 0.130 0.000 1.419 165 Y HN 0.195 nan 8.280 nan 0.000 0.459 166 K N 0.868 121.364 120.400 0.161 0.000 2.513 166 K HA 0.260 4.580 4.320 0.000 0.000 0.251 166 K C -2.150 174.518 176.600 0.114 0.000 0.939 166 K CA -0.916 55.388 56.287 0.027 0.000 0.793 166 K CB 2.078 34.596 32.500 0.030 0.000 1.241 166 K HN 0.555 nan 8.250 nan 0.000 0.431 167 D N 2.377 122.811 120.400 0.056 0.000 2.325 167 D HA 0.164 4.804 4.640 0.000 0.000 0.251 167 D C -0.618 175.695 176.300 0.023 0.000 1.196 167 D CA -0.049 53.986 54.000 0.057 0.000 0.866 167 D CB 1.338 42.160 40.800 0.036 0.000 1.101 167 D HN 0.051 nan 8.370 nan 0.000 0.476 168 V N 2.859 122.773 119.914 0.001 0.000 2.483 168 V HA 0.471 4.591 4.120 0.000 0.000 0.295 168 V C 0.276 176.339 176.094 -0.052 0.000 1.035 168 V CA -0.436 61.875 62.300 0.019 0.000 0.896 168 V CB 2.016 33.887 31.823 0.081 0.000 0.986 168 V HN 0.510 nan 8.190 nan 0.000 0.447 169 T N 3.454 118.015 114.554 0.013 0.000 2.985 169 T HA 0.356 4.706 4.350 0.000 0.000 0.315 169 T C -0.563 174.174 174.700 0.062 0.000 1.001 169 T CA -0.386 61.710 62.100 -0.007 0.000 1.016 169 T CB 1.296 70.170 68.868 0.010 0.000 0.993 169 T HN 0.262 nan 8.240 nan 0.000 0.454 170 V N 4.235 124.201 119.914 0.087 0.000 2.320 170 V HA 0.395 4.515 4.120 0.000 0.000 0.265 170 V C 0.826 176.980 176.094 0.100 0.000 1.048 170 V CA -0.587 61.756 62.300 0.072 0.000 0.865 170 V CB 0.370 32.239 31.823 0.077 0.000 1.043 170 V HN 1.027 nan 8.190 nan 0.000 0.474 171 S N 4.432 120.199 115.700 0.112 0.000 2.632 171 S HA 0.628 5.098 4.470 0.000 0.000 0.271 171 S C -0.491 174.235 174.600 0.210 0.000 1.260 171 S CA -0.607 57.702 58.200 0.183 0.000 1.010 171 S CB 1.751 65.129 63.200 0.296 0.000 0.965 171 S HN 0.743 nan 8.310 nan 0.000 0.534 172 Q N 1.453 121.410 119.800 0.260 0.000 2.269 172 Q HA 0.570 4.910 4.340 0.000 0.000 0.263 172 Q C -2.087 173.996 176.000 0.139 0.000 0.983 172 Q CA -0.672 55.243 55.803 0.186 0.000 0.777 172 Q CB 1.743 30.583 28.738 0.169 0.000 1.273 172 Q HN 0.697 nan 8.270 nan 0.000 0.440 173 V N 3.452 123.325 119.914 -0.068 0.000 2.769 173 V HA 0.520 4.641 4.120 0.000 0.000 0.312 173 V C -0.722 175.084 176.094 -0.480 0.000 1.061 173 V CA -0.879 61.225 62.300 -0.328 0.000 0.931 173 V CB 1.937 33.377 31.823 -0.638 0.000 1.010 173 V HN 0.760 nan 8.190 nan 0.000 0.433 174 W N 4.779 125.775 121.300 -0.507 0.000 2.433 174 W HA 0.584 5.244 4.660 0.000 0.000 0.315 174 W C -1.744 174.438 176.519 -0.562 0.000 1.087 174 W CA -1.373 55.710 57.345 -0.437 0.000 1.205 174 W CB 1.404 30.770 29.460 -0.157 0.000 1.288 174 W HN 0.494 nan 8.180 nan 0.000 0.504 175 F N 5.555 125.245 119.950 -0.433 0.000 2.350 175 F HA 0.410 4.938 4.527 0.000 0.000 0.365 175 F C 1.137 176.716 175.800 -0.368 0.000 1.122 175 F CA -0.338 57.472 58.000 -0.317 0.000 1.139 175 F CB 0.375 39.192 39.000 -0.304 0.000 1.220 175 F HN 0.334 nan 8.300 nan 0.000 0.499 176 G N 1.280 110.025 108.800 -0.092 0.000 2.525 176 G HA2 0.235 4.195 3.960 0.000 0.000 0.287 176 G HA3 0.235 4.195 3.960 0.000 0.000 0.287 176 G C -0.782 174.042 174.900 -0.126 0.000 1.350 176 G CA -0.695 44.289 45.100 -0.192 0.000 1.039 176 G HN 0.663 nan 8.290 nan 0.000 0.513 177 H N -0.556 118.373 119.070 -0.235 0.000 2.800 177 H HA 0.408 4.964 4.556 0.000 0.000 0.291 177 H C 0.755 176.073 175.328 -0.017 0.000 1.076 177 H CA -1.025 54.981 56.048 -0.070 0.000 1.452 177 H CB 0.806 30.582 29.762 0.022 0.000 1.461 177 H HN 0.558 nan 8.280 nan 0.000 0.488 178 R N -0.152 120.360 120.500 0.020 0.000 3.884 178 R HA -0.227 4.113 4.340 0.000 0.000 0.464 178 R C -0.487 175.877 176.300 0.106 0.000 0.963 178 R CA 1.785 57.899 56.100 0.024 0.000 1.408 178 R CB -3.226 27.061 30.300 -0.021 0.000 2.054 178 R HN 0.871 nan 8.270 nan 0.000 0.522 179 Y N -2.437 117.899 120.300 0.060 0.000 2.677 179 Y HA 0.839 5.389 4.550 0.000 0.000 0.334 179 Y C -0.669 175.308 175.900 0.127 0.000 1.154 179 Y CA -1.098 57.042 58.100 0.067 0.000 1.070 179 Y CB 1.462 39.943 38.460 0.035 0.000 1.294 179 Y HN -0.049 nan 8.280 nan 0.000 0.475 180 S N 0.831 116.763 115.700 0.385 0.000 2.550 180 S HA 0.583 5.053 4.470 0.000 0.000 0.270 180 S C -1.815 172.900 174.600 0.192 0.000 1.145 180 S CA -1.028 57.290 58.200 0.196 0.000 0.852 180 S CB 2.139 65.375 63.200 0.060 0.000 1.119 180 S HN 0.930 nan 8.310 nan 0.000 0.465 181 Q N 0.661 120.499 119.800 0.063 0.000 2.377 181 Q HA 0.661 5.001 4.340 0.000 0.000 0.279 181 Q C -1.838 174.088 176.000 -0.124 0.000 1.049 181 Q CA -0.811 54.983 55.803 -0.014 0.000 0.825 181 Q CB 0.759 29.571 28.738 0.124 0.000 1.401 181 Q HN 0.452 nan 8.270 nan 0.000 0.404 182 F N 3.124 123.097 119.950 0.037 0.000 2.484 182 F HA 0.180 4.707 4.527 0.000 0.000 0.360 182 F C 1.278 177.096 175.800 0.031 0.000 1.101 182 F CA 0.044 58.056 58.000 0.021 0.000 1.251 182 F CB 0.926 39.939 39.000 0.021 0.000 1.132 182 F HN 0.682 nan 8.300 nan 0.000 0.570 183 M N 0.868 120.602 119.600 0.222 0.000 2.308 183 M HA 0.494 4.974 4.480 0.000 0.000 0.269 183 M C 0.373 176.756 176.300 0.139 0.000 1.040 183 M CA 0.109 55.496 55.300 0.146 0.000 1.024 183 M CB 0.831 33.503 32.600 0.121 0.000 1.465 183 M HN 0.533 nan 8.290 nan 0.000 0.517 184 G N 2.200 111.106 108.800 0.176 0.000 2.596 184 G HA2 0.548 4.508 3.960 0.000 0.000 0.300 184 G HA3 0.548 4.508 3.960 0.000 0.000 0.300 184 G C -1.600 173.380 174.900 0.133 0.000 1.370 184 G CA -0.631 44.550 45.100 0.134 0.000 1.170 184 G HN 0.244 nan 8.290 nan 0.000 0.594 185 I N 2.483 123.088 120.570 0.059 0.000 2.382 185 I HA 0.350 4.520 4.170 0.000 0.000 0.285 185 I C -0.982 175.188 176.117 0.087 0.000 1.007 185 I CA -0.789 60.510 61.300 -0.001 0.000 1.142 185 I CB 1.804 39.675 38.000 -0.217 0.000 1.289 185 I HN 0.438 nan 8.210 nan 0.000 0.453 186 F N 7.047 126.982 119.950 -0.024 0.000 2.334 186 F HA 0.418 4.945 4.527 0.000 0.000 0.367 186 F C -0.040 175.760 175.800 -0.001 0.000 1.115 186 F CA -0.416 57.580 58.000 -0.006 0.000 1.116 186 F CB 0.659 39.663 39.000 0.007 0.000 1.230 186 F HN 0.408 nan 8.300 nan 0.000 0.484 187 E N 4.647 124.551 120.200 -0.493 0.000 2.151 187 E HA 0.288 4.638 4.350 0.000 0.000 0.275 187 E C -1.372 174.870 176.600 -0.597 0.000 0.936 187 E CA -0.824 55.308 56.400 -0.447 0.000 0.777 187 E CB 1.835 31.405 29.700 -0.216 0.000 1.108 187 E HN 0.489 nan 8.360 nan 0.000 0.401 188 D N 1.517 121.616 120.400 -0.503 0.000 2.547 188 D HA 0.349 4.989 4.640 0.000 0.000 0.231 188 D C -1.282 174.927 176.300 -0.152 0.000 1.099 188 D CA -0.781 53.009 54.000 -0.349 0.000 0.901 188 D CB 1.616 42.214 40.800 -0.336 0.000 1.478 188 D HN 0.210 nan 8.370 nan 0.000 0.471 189 R N 0.941 121.370 120.500 -0.118 0.000 2.480 189 R HA 0.821 5.161 4.340 0.000 0.000 0.306 189 R C -1.511 174.686 176.300 -0.172 0.000 0.958 189 R CA -0.668 55.392 56.100 -0.068 0.000 0.861 189 R CB 1.553 31.795 30.300 -0.097 0.000 1.171 189 R HN 0.387 nan 8.270 nan 0.000 0.445 190 A N 5.404 128.123 122.820 -0.167 0.000 2.386 190 A HA 0.668 4.988 4.320 0.000 0.000 0.311 190 A C -2.688 174.843 177.584 -0.089 0.000 1.068 190 A CA -2.027 49.727 52.037 -0.471 0.000 0.743 190 A CB 1.603 19.990 19.000 -1.021 0.000 1.258 190 A HN 0.476 nan 8.150 nan 0.000 0.429 191 P HA 0.243 nan 4.420 nan 0.000 0.271 191 P C -0.495 176.883 177.300 0.131 0.000 1.216 191 P CA -0.088 63.075 63.100 0.105 0.000 0.776 191 P CB 0.804 32.539 31.700 0.058 0.000 0.881 192 V N 6.467 126.497 119.914 0.193 0.000 2.389 192 V HA 0.156 4.276 4.120 0.000 0.000 0.264 192 V C -1.853 174.310 176.094 0.114 0.000 1.049 192 V CA -1.615 60.772 62.300 0.145 0.000 0.932 192 V CB 0.270 32.190 31.823 0.162 0.000 1.011 192 V HN 0.559 nan 8.190 nan 0.000 0.475 193 P HA -0.088 nan 4.420 nan 0.000 0.267 193 P C 0.725 178.080 177.300 0.092 0.000 1.195 193 P CA 0.126 63.292 63.100 0.111 0.000 0.773 193 P CB 0.402 32.159 31.700 0.096 0.000 0.837 194 F N 3.649 123.589 119.950 -0.016 0.000 2.087 194 F HA -0.311 4.216 4.527 0.000 0.000 0.299 194 F C 2.002 177.762 175.800 -0.067 0.000 1.100 194 F CA 2.450 60.416 58.000 -0.057 0.000 1.226 194 F CB -0.523 38.447 39.000 -0.050 0.000 0.983 194 F HN 0.437 nan 8.300 nan 0.000 0.479 195 E N 0.192 120.315 120.200 -0.128 0.000 2.072 195 E HA -0.235 4.115 4.350 0.000 0.000 0.191 195 E C 2.063 178.539 176.600 -0.208 0.000 0.985 195 E CA 1.669 57.930 56.400 -0.232 0.000 0.801 195 E CB -0.994 28.692 29.700 -0.023 0.000 0.750 195 E HN 0.673 nan 8.360 nan 0.000 0.452 196 E N 0.575 120.705 120.200 -0.117 0.000 2.077 196 E HA -0.177 4.173 4.350 0.000 0.000 0.193 196 E C 1.980 178.489 176.600 -0.152 0.000 0.989 196 E CA 1.592 57.937 56.400 -0.093 0.000 0.800 196 E CB 0.016 29.697 29.700 -0.032 0.000 0.746 196 E HN 0.225 nan 8.360 nan 0.000 0.452 197 V N 1.433 121.209 119.914 -0.229 0.000 2.231 197 V HA -0.341 3.779 4.120 0.000 0.000 0.250 197 V C 2.409 178.318 176.094 -0.307 0.000 1.058 197 V CA 2.132 64.218 62.300 -0.357 0.000 1.022 197 V CB -0.516 30.989 31.823 -0.531 0.000 0.640 197 V HN 0.361 nan 8.190 nan 0.000 0.445 198 I N 0.221 120.568 120.570 -0.372 0.000 2.110 198 I HA -0.199 3.972 4.170 0.000 0.000 0.236 198 I C 2.116 178.135 176.117 -0.162 0.000 1.068 198 I CA 1.879 63.011 61.300 -0.279 0.000 1.333 198 I CB -0.587 37.165 38.000 -0.413 0.000 1.054 198 I HN 0.354 nan 8.210 nan 0.000 0.402 199 D N 0.339 120.645 120.400 -0.157 0.000 2.347 199 D HA -0.048 4.592 4.640 0.000 0.000 0.213 199 D C 1.868 178.122 176.300 -0.077 0.000 0.985 199 D CA 0.718 54.660 54.000 -0.097 0.000 0.879 199 D CB 0.220 40.972 40.800 -0.080 0.000 0.919 199 D HN 0.331 nan 8.370 nan 0.000 0.526 200 K N -0.149 120.199 120.400 -0.086 0.000 2.410 200 K HA 0.259 4.580 4.320 0.000 0.000 0.204 200 K C 2.176 178.735 176.600 -0.068 0.000 1.268 200 K CA 0.007 56.255 56.287 -0.065 0.000 0.896 200 K CB 0.316 32.785 32.500 -0.052 0.000 1.401 200 K HN 0.084 nan 8.250 nan 0.000 0.479 201 I N 1.651 122.172 120.570 -0.082 0.000 2.339 201 I HA -0.132 4.038 4.170 0.000 0.000 0.245 201 I C 2.067 178.140 176.117 -0.073 0.000 1.096 201 I CA 1.099 62.356 61.300 -0.072 0.000 1.408 201 I CB -0.196 37.769 38.000 -0.058 0.000 1.092 201 I HN 0.112 nan 8.210 nan 0.000 0.423 202 N N 1.316 119.975 118.700 -0.068 0.000 2.333 202 N HA -0.008 4.732 4.740 0.000 0.000 0.178 202 N C 1.750 177.228 175.510 -0.054 0.000 1.018 202 N CA 1.321 54.352 53.050 -0.031 0.000 0.882 202 N CB 0.062 38.583 38.487 0.056 0.000 0.984 202 N HN 0.257 nan 8.380 nan 0.000 0.434 203 A N 0.414 123.198 122.820 -0.061 0.000 1.855 203 A HA -0.040 4.280 4.320 0.000 0.000 0.215 203 A C 1.602 179.147 177.584 -0.064 0.000 1.191 203 A CA 1.666 53.666 52.037 -0.062 0.000 0.613 203 A CB -0.131 18.832 19.000 -0.061 0.000 0.829 203 A HN 0.425 nan 8.150 nan 0.000 0.442 204 K N -2.562 117.799 120.400 -0.065 0.000 2.517 204 K HA 0.361 4.681 4.320 0.000 0.000 0.210 204 K C 0.545 177.102 176.600 -0.072 0.000 1.166 204 K CA 0.358 56.608 56.287 -0.062 0.000 1.030 204 K CB 0.806 33.277 32.500 -0.049 0.000 0.974 204 K HN 0.671 nan 8.250 nan 0.000 0.585 205 G N 2.223 110.971 108.800 -0.087 0.000 2.314 205 G HA2 -0.232 3.728 3.960 0.000 0.000 0.292 205 G HA3 -0.232 3.728 3.960 0.000 0.000 0.292 205 G C 0.063 174.912 174.900 -0.086 0.000 1.059 205 G CA 0.459 45.491 45.100 -0.113 0.000 0.982 205 G HN 0.293 nan 8.290 nan 0.000 0.505 206 V N -4.195 115.683 119.914 -0.061 0.000 3.156 206 V HA 0.934 5.054 4.120 0.000 0.000 0.311 206 V C 0.267 176.344 176.094 -0.028 0.000 1.208 206 V CA -0.955 61.321 62.300 -0.040 0.000 1.063 206 V CB 2.190 33.995 31.823 -0.030 0.000 1.098 206 V HN 0.788 nan 8.190 nan 0.000 0.452 207 c N 0.452 119.043 118.600 -0.015 0.000 2.985 207 c HA 0.626 5.196 4.570 0.000 0.000 0.314 207 c C -0.034 174.060 174.090 0.006 0.000 1.215 207 c CA -0.713 55.613 56.329 -0.004 0.000 1.414 207 c CB 2.146 44.657 42.510 0.001 0.000 1.842 207 c HN 1.045 nan 8.230 nan 0.000 0.477 208 R N 1.415 121.922 120.500 0.012 0.000 2.491 208 R HA 0.257 4.597 4.340 0.000 0.000 0.283 208 R C 0.786 177.103 176.300 0.029 0.000 1.072 208 R CA 0.136 56.252 56.100 0.025 0.000 1.048 208 R CB 0.534 30.848 30.300 0.023 0.000 0.983 208 R HN 0.872 nan 8.270 nan 0.000 0.450 209 S N -0.103 115.630 115.700 0.054 0.000 2.871 209 S HA -0.002 4.468 4.470 0.000 0.000 0.254 209 S C 0.174 174.812 174.600 0.064 0.000 1.088 209 S CA -0.544 57.700 58.200 0.073 0.000 1.166 209 S CB -0.480 62.801 63.200 0.135 0.000 0.826 209 S HN 0.681 nan 8.310 nan 0.000 0.471 210 T N -1.396 113.156 114.554 -0.004 0.000 2.949 210 T HA 0.739 5.089 4.350 0.000 0.000 0.300 210 T C -0.436 174.226 174.700 -0.064 0.000 0.988 210 T CA -0.679 61.343 62.100 -0.130 0.000 0.993 210 T CB 1.320 70.041 68.868 -0.245 0.000 0.984 210 T HN 0.380 nan 8.240 nan 0.000 0.442 211 A N 3.344 126.150 122.820 -0.024 0.000 2.362 211 A HA 0.691 5.011 4.320 0.000 0.000 0.276 211 A C 0.251 177.892 177.584 0.094 0.000 1.153 211 A CA -0.625 51.498 52.037 0.142 0.000 0.813 211 A CB 0.427 19.608 19.000 0.301 0.000 1.081 211 A HN 0.910 nan 8.150 nan 0.000 0.507 212 K N 2.757 123.271 120.400 0.190 0.000 2.637 212 K HA 0.540 4.860 4.320 0.000 0.000 0.248 212 K C -1.890 174.821 176.600 0.187 0.000 0.971 212 K CA -0.448 55.864 56.287 0.041 0.000 0.858 212 K CB 0.963 33.455 32.500 -0.014 0.000 1.170 212 K HN 0.836 nan 8.250 nan 0.000 0.443 213 Y N -0.612 119.708 120.300 0.034 0.000 2.689 213 Y HA 0.506 5.056 4.550 0.000 0.000 0.333 213 Y C -1.381 174.550 175.900 0.053 0.000 1.208 213 Y CA -1.427 56.703 58.100 0.049 0.000 1.055 213 Y CB 0.834 39.331 38.460 0.061 0.000 1.304 213 Y HN 0.035 nan 8.280 nan 0.000 0.455 214 V N 2.428 122.462 119.914 0.200 0.000 2.546 214 V HA 0.751 4.871 4.120 0.000 0.000 0.284 214 V C -0.780 175.440 176.094 0.210 0.000 1.050 214 V CA -0.111 62.262 62.300 0.121 0.000 0.981 214 V CB 1.173 33.056 31.823 0.101 0.000 0.990 214 V HN 0.881 nan 8.190 nan 0.000 0.474 215 R N 4.678 125.257 120.500 0.131 0.000 2.515 215 R HA 0.416 4.756 4.340 0.000 0.000 0.278 215 R C -0.213 176.147 176.300 0.100 0.000 1.107 215 R CA -0.140 56.064 56.100 0.174 0.000 0.945 215 R CB 0.587 31.048 30.300 0.268 0.000 1.219 215 R HN 0.829 nan 8.270 nan 0.000 0.434 216 N N 3.193 121.949 118.700 0.093 0.000 2.725 216 N HA -0.274 4.467 4.740 0.000 0.000 0.251 216 N C -0.994 174.543 175.510 0.044 0.000 1.031 216 N CA 1.461 54.547 53.050 0.060 0.000 0.720 216 N CB -1.282 37.236 38.487 0.052 0.000 0.930 216 N HN 0.980 nan 8.380 nan 0.000 0.543 217 N N -3.544 115.185 118.700 0.047 0.000 2.753 217 N HA -0.251 4.489 4.740 0.000 0.000 0.251 217 N C -0.872 174.656 175.510 0.030 0.000 1.097 217 N CA 1.029 54.101 53.050 0.037 0.000 0.786 217 N CB -0.624 37.879 38.487 0.027 0.000 1.137 217 N HN 0.419 nan 8.380 nan 0.000 0.566 218 L N 0.449 121.690 121.223 0.030 0.000 2.408 218 L HA 0.426 4.766 4.340 0.000 0.000 0.268 218 L C -0.487 176.376 176.870 -0.011 0.000 0.986 218 L CA -0.943 53.904 54.840 0.012 0.000 0.820 218 L CB 1.900 43.963 42.059 0.007 0.000 1.303 218 L HN 0.133 nan 8.230 nan 0.000 0.411 219 E N 2.850 123.037 120.200 -0.021 0.000 2.104 219 E HA 0.270 4.620 4.350 0.000 0.000 0.278 219 E C -0.906 175.621 176.600 -0.121 0.000 1.127 219 E CA -0.208 56.156 56.400 -0.061 0.000 0.897 219 E CB 0.475 30.160 29.700 -0.025 0.000 1.043 219 E HN 0.758 nan 8.360 nan 0.000 0.410 220 T N 3.322 117.713 114.554 -0.272 0.000 2.913 220 T HA 0.360 4.710 4.350 0.000 0.000 0.287 220 T C -0.442 174.047 174.700 -0.352 0.000 1.008 220 T CA -0.497 61.411 62.100 -0.320 0.000 1.067 220 T CB 1.539 70.128 68.868 -0.465 0.000 0.996 220 T HN 0.381 nan 8.240 nan 0.000 0.513 221 T N 1.574 116.013 114.554 -0.192 0.000 3.011 221 T HA 0.662 5.012 4.350 0.000 0.000 0.303 221 T C -0.764 173.852 174.700 -0.140 0.000 0.997 221 T CA -0.700 61.288 62.100 -0.187 0.000 1.007 221 T CB 1.408 70.206 68.868 -0.117 0.000 1.017 221 T HN 0.798 nan 8.240 nan 0.000 0.443 222 A N 2.798 125.495 122.820 -0.206 0.000 2.374 222 A HA 0.955 5.275 4.320 0.000 0.000 0.317 222 A C -1.416 175.997 177.584 -0.286 0.000 1.094 222 A CA -0.730 51.264 52.037 -0.071 0.000 0.765 222 A CB 0.950 19.998 19.000 0.079 0.000 1.268 222 A HN 0.677 nan 8.150 nan 0.000 0.438 223 F N 0.281 120.290 119.950 0.099 0.000 2.520 223 F HA 0.389 4.916 4.527 0.000 0.000 0.322 223 F C 0.343 176.198 175.800 0.093 0.000 1.103 223 F CA -0.450 57.600 58.000 0.085 0.000 0.926 223 F CB 1.646 40.669 39.000 0.038 0.000 1.154 223 F HN 0.737 nan 8.300 nan 0.000 0.453 224 H N 3.752 122.910 119.070 0.148 0.000 2.929 224 H HA 0.248 4.804 4.556 0.000 0.000 0.317 224 H C 0.786 176.077 175.328 -0.062 0.000 1.031 224 H CA 0.226 56.309 56.048 0.058 0.000 1.466 224 H CB 0.385 30.178 29.762 0.052 0.000 1.482 224 H HN 0.666 nan 8.280 nan 0.000 0.561 225 R N 2.720 122.828 120.500 -0.653 0.000 4.010 225 R HA -0.246 4.094 4.340 0.000 0.000 0.409 225 R C -0.594 175.260 176.300 -0.745 0.000 1.120 225 R CA 1.039 56.380 56.100 -1.264 0.000 1.244 225 R CB -1.736 27.906 30.300 -1.096 0.000 1.799 225 R HN 0.993 nan 8.270 nan 0.000 0.559 226 D N -0.041 120.222 120.400 -0.228 0.000 2.775 226 D HA -0.122 4.519 4.640 0.000 0.000 0.235 226 D C -0.453 175.741 176.300 -0.177 0.000 1.120 226 D CA 1.656 55.624 54.000 -0.054 0.000 0.708 226 D CB -0.641 40.198 40.800 0.066 0.000 1.084 226 D HN 0.382 nan 8.370 nan 0.000 0.434 227 D N -1.032 119.282 120.400 -0.143 0.000 2.592 227 D HA 0.373 5.013 4.640 0.000 0.000 0.259 227 D C 0.346 176.550 176.300 -0.161 0.000 1.144 227 D CA -0.410 53.481 54.000 -0.182 0.000 1.080 227 D CB 0.508 41.263 40.800 -0.076 0.000 1.225 227 D HN 0.090 nan 8.370 nan 0.000 0.619 228 H N 0.041 119.095 119.070 -0.027 0.000 2.871 228 H HA 0.076 4.632 4.556 0.000 0.000 0.355 228 H C 0.438 175.858 175.328 0.152 0.000 1.092 228 H CA 0.252 56.323 56.048 0.038 0.000 1.420 228 H CB 0.511 30.282 29.762 0.014 0.000 1.400 228 H HN 0.245 nan 8.280 nan 0.000 0.604 229 E N 1.341 121.755 120.200 0.358 0.000 2.481 229 E HA -0.026 4.324 4.350 0.000 0.000 0.263 229 E C -0.595 176.110 176.600 0.175 0.000 0.992 229 E CA 0.252 56.810 56.400 0.264 0.000 0.938 229 E CB 0.523 30.352 29.700 0.215 0.000 0.933 229 E HN 0.590 nan 8.360 nan 0.000 0.453 230 T N 3.016 117.653 114.554 0.138 0.000 2.888 230 T HA 0.331 4.681 4.350 0.000 0.000 0.288 230 T C -1.317 173.424 174.700 0.069 0.000 1.063 230 T CA -0.849 61.310 62.100 0.097 0.000 1.010 230 T CB 1.205 70.133 68.868 0.100 0.000 1.214 230 T HN 0.358 nan 8.240 nan 0.000 0.533 231 D N 1.317 121.745 120.400 0.047 0.000 2.481 231 D HA 0.527 5.167 4.640 0.000 0.000 0.246 231 D C -0.814 175.498 176.300 0.020 0.000 1.109 231 D CA -0.226 53.790 54.000 0.027 0.000 0.845 231 D CB 1.169 41.979 40.800 0.015 0.000 1.160 231 D HN 0.292 nan 8.370 nan 0.000 0.534 232 M N 1.541 121.148 119.600 0.012 0.000 2.364 232 M HA 0.251 4.731 4.480 0.000 0.000 0.334 232 M C 0.367 176.658 176.300 -0.014 0.000 1.107 232 M CA -0.847 54.454 55.300 0.002 0.000 0.988 232 M CB 1.897 34.496 32.600 -0.002 0.000 1.673 232 M HN 0.209 nan 8.290 nan 0.000 0.441 233 E N 2.924 123.113 120.200 -0.019 0.000 2.390 233 E HA 0.322 4.672 4.350 0.000 0.000 0.261 233 E C -1.335 175.244 176.600 -0.035 0.000 1.076 233 E CA -0.418 55.965 56.400 -0.029 0.000 0.905 233 E CB 0.688 30.373 29.700 -0.024 0.000 0.984 233 E HN 0.566 nan 8.360 nan 0.000 0.427 234 L N 2.861 124.058 121.223 -0.042 0.000 2.265 234 L HA 0.249 4.589 4.340 0.000 0.000 0.288 234 L C 0.236 177.146 176.870 0.065 0.000 1.058 234 L CA -0.545 54.288 54.840 -0.010 0.000 0.809 234 L CB 0.611 42.636 42.059 -0.057 0.000 1.179 234 L HN 0.574 nan 8.230 nan 0.000 0.429 235 K N 3.360 123.806 120.400 0.077 0.000 2.159 235 K HA 0.589 4.909 4.320 0.000 0.000 0.266 235 K C -2.779 173.980 176.600 0.265 0.000 0.975 235 K CA -2.173 54.185 56.287 0.118 0.000 0.865 235 K CB 1.222 33.682 32.500 -0.068 0.000 1.087 235 K HN 0.100 nan 8.250 nan 0.000 0.446 236 P HA -0.120 nan 4.420 nan 0.000 0.262 236 P C -0.459 176.798 177.300 -0.071 0.000 1.182 236 P CA 0.289 63.349 63.100 -0.068 0.000 0.761 236 P CB 0.515 32.220 31.700 0.007 0.000 0.795 237 A N 4.399 127.113 122.820 -0.178 0.000 2.492 237 A HA 0.023 4.343 4.320 0.000 0.000 0.236 237 A C 0.800 178.351 177.584 -0.056 0.000 1.078 237 A CA -0.013 52.002 52.037 -0.037 0.000 0.773 237 A CB -0.230 18.670 19.000 -0.167 0.000 1.023 237 A HN 0.534 nan 8.150 nan 0.000 0.504 238 N N 0.071 118.763 118.700 -0.015 0.000 2.297 238 N HA 0.294 5.034 4.740 0.000 0.000 0.232 238 N C 0.482 175.955 175.510 -0.061 0.000 1.311 238 N CA 0.757 53.793 53.050 -0.023 0.000 0.897 238 N CB 0.196 38.676 38.487 -0.012 0.000 1.137 238 N HN 0.847 nan 8.380 nan 0.000 0.449 239 A N -0.184 122.607 122.820 -0.047 0.000 2.483 239 A HA 0.503 4.823 4.320 0.000 0.000 0.238 239 A C -0.067 177.481 177.584 -0.061 0.000 1.070 239 A CA 0.156 52.160 52.037 -0.055 0.000 0.770 239 A CB -0.067 18.910 19.000 -0.038 0.000 1.008 239 A HN 0.767 nan 8.150 nan 0.000 0.497 240 A N 1.746 124.526 122.820 -0.066 0.000 2.495 240 A HA 0.543 4.863 4.320 0.000 0.000 0.297 240 A C -0.060 177.485 177.584 -0.065 0.000 1.036 240 A CA 0.011 52.009 52.037 -0.065 0.000 0.982 240 A CB -0.393 18.560 19.000 -0.078 0.000 1.476 240 A HN 1.936 nan 8.150 nan 0.000 0.393 241 T N 0.278 114.800 114.554 -0.053 0.000 2.932 241 T HA 0.466 4.816 4.350 0.000 0.000 0.312 241 T C 0.744 175.412 174.700 -0.054 0.000 1.071 241 T CA 0.425 62.495 62.100 -0.049 0.000 1.128 241 T CB 0.255 69.099 68.868 -0.039 0.000 0.984 241 T HN 1.124 nan 8.240 nan 0.000 0.549 242 R N -0.984 119.483 120.500 -0.054 0.000 3.651 242 R HA -0.145 4.195 4.340 0.000 0.000 0.292 242 R C -0.019 176.240 176.300 -0.069 0.000 1.161 242 R CA 1.011 57.077 56.100 -0.057 0.000 0.787 242 R CB -2.691 27.578 30.300 -0.051 0.000 1.249 242 R HN 1.105 nan 8.270 nan 0.000 0.476 243 T N -3.115 111.392 114.554 -0.079 0.000 2.861 243 T HA 0.535 4.885 4.350 0.000 0.000 0.287 243 T C 0.712 175.347 174.700 -0.108 0.000 1.003 243 T CA -0.192 61.850 62.100 -0.095 0.000 0.977 243 T CB 2.066 70.873 68.868 -0.102 0.000 0.996 243 T HN 0.231 nan 8.240 nan 0.000 0.448 244 S N 3.463 119.095 115.700 -0.113 0.000 2.695 244 S HA 0.285 4.755 4.470 0.000 0.000 0.250 244 S C 0.328 174.826 174.600 -0.169 0.000 1.355 244 S CA -0.736 57.393 58.200 -0.119 0.000 0.965 244 S CB -0.092 63.042 63.200 -0.110 0.000 0.987 244 S HN 0.889 nan 8.310 nan 0.000 0.576 245 R N -0.145 120.240 120.500 -0.192 0.000 2.486 245 R HA 0.669 5.009 4.340 0.000 0.000 0.286 245 R C 0.143 176.160 176.300 -0.472 0.000 0.999 245 R CA -0.185 55.684 56.100 -0.385 0.000 0.993 245 R CB 1.419 31.490 30.300 -0.382 0.000 1.084 245 R HN 0.871 nan 8.270 nan 0.000 0.487 246 G N 1.332 109.661 108.800 -0.785 0.000 2.703 246 G HA2 0.487 4.447 3.960 0.000 0.000 0.294 246 G HA3 0.487 4.447 3.960 0.000 0.000 0.294 246 G C -1.842 172.698 174.900 -0.600 0.000 1.451 246 G CA -0.584 44.224 45.100 -0.486 0.000 0.869 246 G HN 0.387 nan 8.290 nan 0.000 0.516 247 W N 0.309 121.614 121.300 0.009 0.000 2.950 247 W HA 0.547 5.207 4.660 0.000 0.000 0.340 247 W C 0.005 176.581 176.519 0.096 0.000 1.139 247 W CA -0.586 56.794 57.345 0.057 0.000 1.188 247 W CB 2.388 31.856 29.460 0.014 0.000 1.426 247 W HN 0.986 nan 8.180 nan 0.000 0.531 248 H N -2.698 116.454 119.070 0.136 0.000 3.048 248 H HA 0.591 5.147 4.556 0.000 0.000 0.296 248 H C 0.518 175.870 175.328 0.040 0.000 1.508 248 H CA -0.112 55.956 56.048 0.034 0.000 1.250 248 H CB 1.940 31.685 29.762 -0.029 0.000 1.896 248 H HN 0.175 nan 8.280 nan 0.000 0.604 249 T N -3.496 111.018 114.554 -0.066 0.000 2.989 249 T HA 0.223 4.573 4.350 0.000 0.000 0.250 249 T C 0.314 174.933 174.700 -0.136 0.000 0.981 249 T CA 0.372 62.394 62.100 -0.130 0.000 0.980 249 T CB -0.136 68.690 68.868 -0.070 0.000 1.133 249 T HN 0.509 nan 8.240 nan 0.000 0.489 250 T N 2.190 116.726 114.554 -0.030 0.000 2.855 250 T HA 0.448 4.798 4.350 0.000 0.000 0.281 250 T C -0.166 174.650 174.700 0.194 0.000 1.007 250 T CA -0.634 61.474 62.100 0.014 0.000 1.009 250 T CB 1.896 70.689 68.868 -0.126 0.000 0.983 250 T HN 0.060 nan 8.240 nan 0.000 0.455 251 D N 1.404 121.896 120.400 0.154 0.000 2.380 251 D HA 0.194 4.834 4.640 0.000 0.000 0.212 251 D C 0.270 176.656 176.300 0.143 0.000 1.021 251 D CA 0.540 54.654 54.000 0.190 0.000 0.884 251 D CB 0.656 41.544 40.800 0.147 0.000 1.001 251 D HN 0.338 nan 8.370 nan 0.000 0.506 252 L N 1.345 122.662 121.223 0.157 0.000 2.346 252 L HA 0.320 4.660 4.340 0.000 0.000 0.274 252 L C 0.167 177.170 176.870 0.221 0.000 1.007 252 L CA -0.954 53.987 54.840 0.168 0.000 0.818 252 L CB 2.179 44.337 42.059 0.166 0.000 1.284 252 L HN -0.400 nan 8.230 nan 0.000 0.424 253 K N 1.540 122.054 120.400 0.191 0.000 2.237 253 K HA 0.215 4.535 4.320 0.000 0.000 0.270 253 K C -1.026 175.737 176.600 0.273 0.000 1.015 253 K CA -0.265 56.154 56.287 0.220 0.000 0.949 253 K CB 1.242 33.832 32.500 0.151 0.000 0.976 253 K HN 0.421 nan 8.250 nan 0.000 0.472 254 Y N 2.510 122.914 120.300 0.172 0.000 2.345 254 Y HA 0.236 4.787 4.550 0.000 0.000 0.331 254 Y C -0.774 175.216 175.900 0.150 0.000 0.959 254 Y CA -0.629 57.547 58.100 0.128 0.000 1.204 254 Y CB 0.702 39.184 38.460 0.037 0.000 1.135 254 Y HN 0.593 nan 8.280 nan 0.000 0.477 255 N N 6.703 125.192 118.700 -0.353 0.000 2.483 255 N HA 0.550 5.290 4.740 0.000 0.000 0.285 255 N C -2.902 172.303 175.510 -0.509 0.000 1.210 255 N CA -1.871 51.048 53.050 -0.217 0.000 0.931 255 N CB 0.790 39.301 38.487 0.040 0.000 1.220 255 N HN 0.341 nan 8.380 nan 0.000 0.542 256 P HA 0.113 nan 4.420 nan 0.000 0.276 256 P C -0.836 176.542 177.300 0.131 0.000 1.252 256 P CA -0.227 62.892 63.100 0.032 0.000 0.802 256 P CB 1.001 32.831 31.700 0.216 0.000 1.035 257 S N -0.445 115.274 115.700 0.031 0.000 2.537 257 S HA 0.259 4.729 4.470 0.000 0.000 0.301 257 S C 1.449 175.631 174.600 -0.696 0.000 1.092 257 S CA -0.886 57.192 58.200 -0.204 0.000 1.048 257 S CB 0.778 63.883 63.200 -0.158 0.000 1.053 257 S HN 0.438 nan 8.310 nan 0.000 0.501 258 R N 1.945 121.498 120.500 -1.578 0.000 2.211 258 R HA -0.052 4.288 4.340 0.000 0.000 0.240 258 R C 0.640 176.540 176.300 -0.667 0.000 1.144 258 R CA 1.054 56.115 56.100 -1.731 0.000 0.992 258 R CB -1.114 28.401 30.300 -1.310 0.000 0.869 258 R HN 0.371 nan 8.270 nan 0.000 0.462 264 R N 2.196 122.657 120.500 -0.065 0.000 3.081 264 R HA 0.216 4.556 4.340 0.000 0.000 0.280 264 R C -0.119 176.203 176.300 0.038 0.000 1.372 264 R CA 0.249 56.376 56.100 0.046 0.000 1.242 264 R CB -1.157 29.196 30.300 0.088 0.000 1.316 264 R HN 0.536 nan 8.270 nan 0.000 0.585 265 Y N -2.605 117.536 120.300 -0.265 0.000 2.567 265 Y HA 0.825 5.375 4.550 0.000 0.000 0.333 265 Y C 0.270 176.118 175.900 -0.086 0.000 1.106 265 Y CA -1.464 56.532 58.100 -0.173 0.000 1.157 265 Y CB 2.131 40.497 38.460 -0.156 0.000 1.277 265 Y HN 0.121 nan 8.280 nan 0.000 0.490 266 G N 1.256 110.254 108.800 0.329 0.000 2.740 266 G HA2 0.433 4.393 3.960 0.000 0.000 0.296 266 G HA3 0.433 4.393 3.960 0.000 0.000 0.296 266 G C -1.490 173.548 174.900 0.230 0.000 1.439 266 G CA -0.771 44.561 45.100 0.386 0.000 1.066 266 G HN 0.865 nan 8.290 nan 0.000 0.527 267 T N -0.576 114.129 114.554 0.252 0.000 2.859 267 T HA 0.774 5.124 4.350 0.000 0.000 0.281 267 T C -0.059 174.808 174.700 0.279 0.000 1.005 267 T CA -0.412 61.791 62.100 0.173 0.000 1.025 267 T CB 1.793 70.710 68.868 0.083 0.000 0.977 267 T HN 0.394 nan 8.240 nan 0.000 0.458 268 T N 2.726 117.446 114.554 0.276 0.000 2.885 268 T HA 0.657 5.007 4.350 0.000 0.000 0.285 268 T C -0.728 174.135 174.700 0.272 0.000 1.019 268 T CA -0.661 61.677 62.100 0.397 0.000 1.010 268 T CB 1.626 70.694 68.868 0.333 0.000 1.022 268 T HN 0.658 nan 8.240 nan 0.000 0.466 269 V N 2.973 123.033 119.914 0.243 0.000 2.588 269 V HA 0.625 4.745 4.120 0.000 0.000 0.304 269 V C -0.711 175.291 176.094 -0.154 0.000 1.042 269 V CA -0.849 61.469 62.300 0.029 0.000 0.877 269 V CB 1.991 33.851 31.823 0.062 0.000 0.996 269 V HN 0.849 nan 8.190 nan 0.000 0.425 270 N N 2.587 121.245 118.700 -0.069 0.000 2.549 270 N HA 0.240 4.980 4.740 0.000 0.000 0.281 270 N C -0.806 174.673 175.510 -0.052 0.000 1.084 270 N CA -0.311 52.699 53.050 -0.067 0.000 0.862 270 N CB 1.430 39.910 38.487 -0.013 0.000 1.333 270 N HN 0.721 nan 8.380 nan 0.000 0.523 271 c N 6.826 125.399 118.600 -0.045 0.000 2.595 271 c HA 0.347 4.918 4.570 0.000 0.000 0.374 271 c C 0.109 174.160 174.090 -0.065 0.000 1.250 271 c CA -0.587 55.715 56.329 -0.046 0.000 1.595 271 c CB -2.038 40.465 42.510 -0.013 0.000 2.257 271 c HN 0.434 nan 8.230 nan 0.000 0.568 272 I N 7.008 127.433 120.570 -0.242 0.000 2.396 272 I HA 0.505 4.676 4.170 0.000 0.000 0.292 272 I C 0.192 176.120 176.117 -0.314 0.000 0.999 272 I CA -0.167 60.911 61.300 -0.370 0.000 1.310 272 I CB 1.228 38.710 38.000 -0.864 0.000 1.404 272 I HN 0.277 nan 8.210 nan 0.000 0.496 273 V N 5.903 125.769 119.914 -0.080 0.000 2.808 273 V HA 0.469 4.589 4.120 0.000 0.000 0.308 273 V C -0.505 175.649 176.094 0.102 0.000 1.099 273 V CA -0.690 61.621 62.300 0.018 0.000 0.920 273 V CB 2.662 34.598 31.823 0.188 0.000 1.014 273 V HN 0.783 nan 8.190 nan 0.000 0.425 274 E N 2.508 122.706 120.200 -0.004 0.000 2.356 274 E HA 0.523 4.873 4.350 0.000 0.000 0.275 274 E C -1.480 175.116 176.600 -0.007 0.000 0.904 274 E CA -0.907 55.498 56.400 0.008 0.000 0.757 274 E CB 3.047 32.726 29.700 -0.036 0.000 1.232 274 E HN 0.704 nan 8.360 nan 0.000 0.442 275 E N 1.180 121.397 120.200 0.027 0.000 2.216 275 E HA 0.506 4.856 4.350 0.000 0.000 0.279 275 E C -0.604 175.961 176.600 -0.059 0.000 0.997 275 E CA -0.812 55.596 56.400 0.013 0.000 0.817 275 E CB 1.919 31.665 29.700 0.078 0.000 1.096 275 E HN 0.302 nan 8.360 nan 0.000 0.393 276 V N -1.191 118.672 119.914 -0.085 0.000 3.120 276 V HA 0.354 4.475 4.120 0.000 0.000 0.303 276 V C -0.918 175.069 176.094 -0.180 0.000 1.238 276 V CA -1.299 60.922 62.300 -0.132 0.000 1.008 276 V CB 2.107 33.839 31.823 -0.153 0.000 1.064 276 V HN 0.540 nan 8.190 nan 0.000 0.434 277 D N 1.990 122.272 120.400 -0.197 0.000 2.389 277 D HA 0.567 5.207 4.640 0.000 0.000 0.247 277 D C 0.015 176.104 176.300 -0.351 0.000 1.128 277 D CA 0.620 54.462 54.000 -0.262 0.000 0.884 277 D CB 1.970 42.645 40.800 -0.207 0.000 1.194 277 D HN 1.120 nan 8.370 nan 0.000 0.441 278 A N 3.404 125.879 122.820 -0.576 0.000 2.343 278 A HA 0.605 4.925 4.320 0.000 0.000 0.316 278 A C -0.350 176.852 177.584 -0.636 0.000 1.104 278 A CA -0.771 50.847 52.037 -0.698 0.000 0.768 278 A CB 1.189 19.440 19.000 -1.248 0.000 1.213 278 A HN 0.508 nan 8.150 nan 0.000 0.456 279 R N 0.990 121.333 120.500 -0.261 0.000 2.534 279 R HA 0.707 5.047 4.340 0.000 0.000 0.301 279 R C -0.752 175.624 176.300 0.126 0.000 0.961 279 R CA -0.376 55.681 56.100 -0.071 0.000 0.871 279 R CB 2.177 32.423 30.300 -0.091 0.000 1.170 279 R HN 0.615 nan 8.270 nan 0.000 0.446 280 S N 1.889 117.778 115.700 0.314 0.000 2.547 280 S HA 0.572 5.042 4.470 0.000 0.000 0.281 280 S C -0.807 174.091 174.600 0.497 0.000 1.118 280 S CA -0.725 57.728 58.200 0.422 0.000 0.947 280 S CB 1.476 65.004 63.200 0.547 0.000 1.053 280 S HN 0.416 nan 8.310 nan 0.000 0.482 281 V N 3.455 123.500 119.914 0.218 0.000 2.667 281 V HA 0.638 4.758 4.120 0.000 0.000 0.308 281 V C -0.254 175.437 176.094 -0.671 0.000 1.048 281 V CA -1.094 61.185 62.300 -0.035 0.000 0.928 281 V CB 0.917 32.745 31.823 0.008 0.000 1.004 281 V HN 0.949 nan 8.190 nan 0.000 0.444 282 Y N 5.301 124.779 120.300 -1.371 0.000 2.987 282 Y HA 0.130 4.680 4.550 0.000 0.000 0.339 282 Y C -1.540 174.061 175.900 -0.499 0.000 1.272 282 Y CA -0.292 57.042 58.100 -1.276 0.000 1.562 282 Y CB 0.825 38.968 38.460 -0.529 0.000 1.253 282 Y HN 0.642 nan 8.280 nan 0.000 0.604 283 P HA 0.023 nan 4.420 nan 0.000 0.245 283 P C -1.326 175.767 177.300 -0.345 0.000 1.212 283 P CA 0.598 63.060 63.100 -1.064 0.000 0.774 283 P CB -0.183 31.114 31.700 -0.671 0.000 0.999 284 Y N -0.514 119.774 120.300 -0.020 0.000 3.233 284 Y HA -0.184 4.366 4.550 0.000 0.000 0.201 284 Y C 0.512 176.485 175.900 0.122 0.000 1.486 284 Y CA 0.225 58.384 58.100 0.099 0.000 1.326 284 Y CB -3.040 35.533 38.460 0.188 0.000 1.460 284 Y HN 0.184 nan 8.280 nan 0.000 0.512 285 D N -0.300 120.210 120.400 0.183 0.000 2.369 285 D HA 0.116 4.756 4.640 0.000 0.000 0.211 285 D C 0.595 177.017 176.300 0.204 0.000 1.077 285 D CA 0.894 55.014 54.000 0.199 0.000 0.842 285 D CB 0.365 41.238 40.800 0.122 0.000 0.947 285 D HN 0.743 nan 8.370 nan 0.000 0.509 286 E N -0.673 119.654 120.200 0.211 0.000 2.447 286 E HA 0.519 4.869 4.350 0.000 0.000 0.279 286 E C -1.206 175.531 176.600 0.228 0.000 1.053 286 E CA -1.142 55.360 56.400 0.171 0.000 0.840 286 E CB 1.402 31.167 29.700 0.109 0.000 1.409 286 E HN 0.049 nan 8.360 nan 0.000 0.461 287 F N -1.202 118.698 119.950 -0.083 0.000 2.745 287 F HA 0.753 5.280 4.527 0.000 0.000 0.316 287 F C -1.405 174.147 175.800 -0.413 0.000 1.155 287 F CA -1.037 56.860 58.000 -0.172 0.000 0.937 287 F CB 1.161 40.142 39.000 -0.032 0.000 1.361 287 F HN 0.451 nan 8.300 nan 0.000 0.472 288 V N 0.035 119.762 119.914 -0.312 0.000 3.001 288 V HA 0.769 4.889 4.120 0.000 0.000 0.314 288 V C -1.064 174.869 176.094 -0.267 0.000 1.099 288 V CA -1.068 60.910 62.300 -0.537 0.000 0.989 288 V CB 1.658 33.008 31.823 -0.788 0.000 1.040 288 V HN 0.989 nan 8.190 nan 0.000 0.434 289 L N 2.162 123.209 121.223 -0.293 0.000 2.365 289 L HA 0.661 5.001 4.340 0.000 0.000 0.267 289 L C 1.882 178.606 176.870 -0.243 0.000 1.033 289 L CA -0.388 54.303 54.840 -0.248 0.000 0.802 289 L CB 1.535 43.431 42.059 -0.270 0.000 1.267 289 L HN 0.866 nan 8.230 nan 0.000 0.457 290 A N -0.156 122.532 122.820 -0.220 0.000 2.131 290 A HA -0.137 4.183 4.320 0.000 0.000 0.220 290 A C 1.725 179.204 177.584 -0.177 0.000 1.158 290 A CA 1.918 53.843 52.037 -0.186 0.000 0.665 290 A CB -0.915 17.985 19.000 -0.167 0.000 0.795 290 A HN 0.869 nan 8.150 nan 0.000 0.460 291 T N -4.727 109.705 114.554 -0.204 0.000 3.188 291 T HA 0.414 4.764 4.350 0.000 0.000 0.250 291 T C 1.298 175.890 174.700 -0.179 0.000 1.077 291 T CA 0.953 62.937 62.100 -0.194 0.000 0.967 291 T CB -0.095 68.626 68.868 -0.245 0.000 1.006 291 T HN 1.619 nan 8.240 nan 0.000 0.552 292 G N 1.291 109.982 108.800 -0.182 0.000 2.162 292 G HA2 -0.211 3.749 3.960 0.000 0.000 0.260 292 G HA3 -0.211 3.749 3.960 0.000 0.000 0.260 292 G C -0.328 174.495 174.900 -0.129 0.000 0.976 292 G CA 0.028 45.038 45.100 -0.150 0.000 0.655 292 G HN 0.600 nan 8.290 nan 0.000 0.533 293 D N 0.096 120.384 120.400 -0.188 0.000 2.317 293 D HA 0.450 5.090 4.640 0.000 0.000 0.252 293 D C 0.396 176.601 176.300 -0.158 0.000 1.174 293 D CA -0.084 53.841 54.000 -0.124 0.000 0.866 293 D CB 0.547 41.184 40.800 -0.272 0.000 1.127 293 D HN 0.084 nan 8.370 nan 0.000 0.467 294 F N 1.254 121.100 119.950 -0.173 0.000 2.410 294 F HA 0.198 4.726 4.527 0.000 0.000 0.334 294 F C 0.631 176.175 175.800 -0.428 0.000 1.134 294 F CA -0.079 57.685 58.000 -0.393 0.000 1.227 294 F CB 1.018 39.689 39.000 -0.548 0.000 1.194 294 F HN -0.009 nan 8.300 nan 0.000 0.571 295 V N 4.056 123.644 119.914 -0.542 0.000 2.509 295 V HA 0.106 4.226 4.120 0.000 0.000 0.289 295 V C -1.060 174.779 176.094 -0.426 0.000 1.026 295 V CA -0.936 61.069 62.300 -0.492 0.000 0.872 295 V CB 1.083 32.346 31.823 -0.934 0.000 1.017 295 V HN 0.573 nan 8.190 nan 0.000 0.436 296 Y N 4.583 124.995 120.300 0.186 0.000 2.976 296 Y HA 0.491 5.041 4.550 0.000 0.000 0.389 296 Y C 0.425 176.462 175.900 0.230 0.000 1.072 296 Y CA 0.040 58.225 58.100 0.143 0.000 1.809 296 Y CB 0.146 38.587 38.460 -0.031 0.000 1.736 296 Y HN 0.578 nan 8.280 nan 0.000 0.471 297 M N 0.246 120.000 119.600 0.256 0.000 2.386 297 M HA 0.397 4.877 4.480 0.000 0.000 0.293 297 M C -0.408 176.062 176.300 0.285 0.000 1.120 297 M CA -0.750 54.685 55.300 0.225 0.000 0.909 297 M CB 1.676 34.379 32.600 0.172 0.000 1.661 297 M HN 0.049 nan 8.290 nan 0.000 0.452 298 S N 4.378 120.232 115.700 0.258 0.000 2.546 298 S HA 0.195 4.665 4.470 0.000 0.000 0.290 298 S C -1.945 172.778 174.600 0.205 0.000 1.290 298 S CA -0.737 57.626 58.200 0.271 0.000 1.069 298 S CB 0.484 63.874 63.200 0.316 0.000 0.846 298 S HN 0.618 nan 8.310 nan 0.000 0.495 299 P HA 0.024 nan 4.420 nan 0.000 0.231 299 P C -0.019 176.989 177.300 -0.488 0.000 1.158 299 P CA 1.076 63.754 63.100 -0.703 0.000 0.763 299 P CB -0.051 30.653 31.700 -1.660 0.000 0.805 300 F N -4.724 115.276 119.950 0.084 0.000 2.682 300 F HA 0.230 4.757 4.527 0.000 0.000 0.308 300 F C 1.089 177.084 175.800 0.324 0.000 1.093 300 F CA -0.889 57.138 58.000 0.045 0.000 1.244 300 F CB -0.387 38.532 39.000 -0.135 0.000 1.052 300 F HN -0.192 nan 8.300 nan 0.000 0.573 301 Y N 1.677 122.145 120.300 0.281 0.000 2.511 301 Y HA 0.441 4.991 4.550 0.000 0.000 0.347 301 Y C 0.714 176.625 175.900 0.018 0.000 1.257 301 Y CA 0.918 59.057 58.100 0.065 0.000 1.469 301 Y CB 0.291 38.660 38.460 -0.151 0.000 1.353 301 Y HN 0.173 nan 8.280 nan 0.000 0.617 302 G N 2.017 110.316 108.800 -0.836 0.000 2.345 302 G HA2 -0.048 3.912 3.960 0.000 0.000 0.285 302 G HA3 -0.048 3.912 3.960 0.000 0.000 0.285 302 G C -1.118 173.367 174.900 -0.693 0.000 1.297 302 G CA -0.244 44.476 45.100 -0.633 0.000 0.875 302 G HN 0.560 nan 8.290 nan 0.000 0.506 303 Y N 0.022 120.188 120.300 -0.223 0.000 2.464 303 Y HA 0.375 4.925 4.550 0.000 0.000 0.288 303 Y C 2.021 177.743 175.900 -0.296 0.000 1.133 303 Y CA -0.187 57.776 58.100 -0.228 0.000 1.223 303 Y CB 0.101 38.447 38.460 -0.189 0.000 1.187 303 Y HN 0.207 nan 8.280 nan 0.000 0.539 304 R N 2.652 122.962 120.500 -0.316 0.000 2.538 304 R HA -0.102 4.238 4.340 0.000 0.000 0.273 304 R C 0.253 176.381 176.300 -0.287 0.000 0.967 304 R CA 0.956 56.806 56.100 -0.416 0.000 1.101 304 R CB 0.027 29.823 30.300 -0.840 0.000 0.908 304 R HN 0.433 nan 8.270 nan 0.000 0.411 305 E N 0.317 120.431 120.200 -0.144 0.000 3.440 305 E HA -0.301 4.049 4.350 0.000 0.000 0.328 305 E C 0.927 177.520 176.600 -0.011 0.000 1.514 305 E CA 1.340 57.717 56.400 -0.039 0.000 1.926 305 E CB -1.040 28.683 29.700 0.038 0.000 1.874 305 E HN 0.834 nan 8.360 nan 0.000 0.471 306 G N -0.267 108.555 108.800 0.036 0.000 3.181 306 G HA2 0.071 4.031 3.960 0.000 0.000 0.219 306 G HA3 0.071 4.031 3.960 0.000 0.000 0.219 306 G C 0.973 175.901 174.900 0.047 0.000 1.182 306 G CA 0.680 45.802 45.100 0.038 0.000 0.791 306 G HN 0.414 nan 8.290 nan 0.000 0.537 307 S N -0.514 115.222 115.700 0.060 0.000 2.507 307 S HA -0.131 4.339 4.470 0.000 0.000 0.235 307 S C 1.841 176.364 174.600 -0.128 0.000 0.988 307 S CA 1.026 59.276 58.200 0.084 0.000 0.944 307 S CB -0.366 62.977 63.200 0.240 0.000 0.762 307 S HN 0.497 nan 8.310 nan 0.000 0.526 308 H N 1.519 120.445 119.070 -0.239 0.000 2.462 308 H HA 0.121 4.677 4.556 0.000 0.000 0.292 308 H C 1.844 177.058 175.328 -0.190 0.000 1.049 308 H CA 1.794 57.636 56.048 -0.343 0.000 1.334 308 H CB -0.632 29.040 29.762 -0.150 0.000 1.404 308 H HN 0.374 nan 8.280 nan 0.000 0.544 309 T N 0.992 115.460 114.554 -0.144 0.000 2.881 309 T HA -0.085 4.265 4.350 0.000 0.000 0.270 309 T C 0.452 175.046 174.700 -0.177 0.000 1.068 309 T CA 0.506 62.511 62.100 -0.158 0.000 1.131 309 T CB -0.127 68.691 68.868 -0.084 0.000 0.871 309 T HN 0.363 nan 8.240 nan 0.000 0.479 310 E N 1.838 122.003 120.200 -0.058 0.000 2.492 310 E HA -0.037 4.313 4.350 0.000 0.000 0.266 310 E C 0.227 176.930 176.600 0.172 0.000 1.047 310 E CA 0.516 56.985 56.400 0.115 0.000 0.968 310 E CB 0.185 30.077 29.700 0.321 0.000 0.960 310 E HN 0.476 nan 8.360 nan 0.000 0.452 311 H N 0.389 119.568 119.070 0.182 0.000 2.615 311 H HA 0.251 4.807 4.556 0.000 0.000 0.363 311 H C 0.234 175.484 175.328 -0.129 0.000 1.148 311 H CA 0.454 56.532 56.048 0.050 0.000 1.401 311 H CB 1.341 31.124 29.762 0.034 0.000 1.461 311 H HN 0.294 nan 8.280 nan 0.000 0.588 312 T N 0.133 114.652 114.554 -0.058 0.000 3.012 312 T HA 0.185 4.535 4.350 0.000 0.000 0.330 312 T C -0.044 174.597 174.700 -0.098 0.000 1.321 312 T CA -0.626 61.347 62.100 -0.210 0.000 1.067 312 T CB 0.667 69.133 68.868 -0.671 0.000 1.235 312 T HN 0.485 nan 8.240 nan 0.000 0.479 313 S N 2.761 118.343 115.700 -0.197 0.000 2.575 313 S HA 0.341 4.811 4.470 0.000 0.000 0.237 313 S C -0.693 173.572 174.600 -0.559 0.000 0.975 313 S CA -0.234 57.707 58.200 -0.432 0.000 0.960 313 S CB -0.167 62.676 63.200 -0.594 0.000 0.822 313 S HN 0.627 nan 8.310 nan 0.000 0.472 314 Y N 0.979 121.245 120.300 -0.057 0.000 2.549 314 Y HA 0.722 5.272 4.550 0.000 0.000 0.339 314 Y C 0.589 176.497 175.900 0.014 0.000 1.053 314 Y CA -1.436 56.653 58.100 -0.017 0.000 1.105 314 Y CB 0.577 39.039 38.460 0.002 0.000 1.258 314 Y HN 0.072 nan 8.280 nan 0.000 0.478 315 A N 0.812 123.753 122.820 0.201 0.000 2.364 315 A HA 0.456 4.776 4.320 0.000 0.000 0.258 315 A C 1.422 179.117 177.584 0.185 0.000 1.131 315 A CA 0.338 52.465 52.037 0.149 0.000 0.800 315 A CB -0.498 18.573 19.000 0.117 0.000 1.086 315 A HN 1.043 nan 8.150 nan 0.000 0.508 316 A N -0.307 122.611 122.820 0.163 0.000 1.929 316 A HA -0.061 4.259 4.320 0.000 0.000 0.216 316 A C 1.345 179.034 177.584 0.176 0.000 1.176 316 A CA 1.802 53.958 52.037 0.198 0.000 0.628 316 A CB -0.533 18.559 19.000 0.154 0.000 0.816 316 A HN 0.841 nan 8.150 nan 0.000 0.444 317 D N -1.058 119.410 120.400 0.113 0.000 2.328 317 D HA 0.003 4.644 4.640 0.000 0.000 0.226 317 D C 1.525 177.854 176.300 0.048 0.000 1.066 317 D CA 0.115 54.147 54.000 0.054 0.000 0.861 317 D CB -0.319 40.503 40.800 0.036 0.000 0.912 317 D HN 0.465 nan 8.370 nan 0.000 0.521 318 R N -0.887 119.676 120.500 0.105 0.000 2.189 318 R HA 0.160 4.500 4.340 0.000 0.000 0.203 318 R C 0.112 176.475 176.300 0.105 0.000 1.012 318 R CA 0.019 56.169 56.100 0.084 0.000 1.015 318 R CB 0.194 30.547 30.300 0.089 0.000 0.938 318 R HN 0.130 nan 8.270 nan 0.000 0.472 319 F N 1.860 121.814 119.950 0.007 0.000 2.422 319 F HA 0.389 4.916 4.527 0.000 0.000 0.333 319 F C -0.681 175.105 175.800 -0.023 0.000 1.095 319 F CA -0.537 57.469 58.000 0.010 0.000 1.038 319 F CB 0.920 39.976 39.000 0.092 0.000 1.156 319 F HN -0.346 nan 8.300 nan 0.000 0.483 320 K N 4.683 124.466 120.400 -1.027 0.000 2.527 320 K HA 0.293 4.613 4.320 0.000 0.000 0.260 320 K C -1.634 174.371 176.600 -0.992 0.000 0.937 320 K CA -1.020 54.748 56.287 -0.864 0.000 0.826 320 K CB 2.751 34.695 32.500 -0.926 0.000 1.359 320 K HN 0.638 nan 8.250 nan 0.000 0.434 321 Q N 1.310 120.801 119.800 -0.515 0.000 2.365 321 Q HA 0.465 4.805 4.340 0.000 0.000 0.269 321 Q C -1.403 174.526 176.000 -0.119 0.000 1.061 321 Q CA -0.839 54.764 55.803 -0.333 0.000 0.816 321 Q CB 2.368 30.998 28.738 -0.179 0.000 1.325 321 Q HN 0.336 nan 8.270 nan 0.000 0.446 322 V N 4.224 124.084 119.914 -0.090 0.000 2.289 322 V HA 0.166 4.286 4.120 0.000 0.000 0.272 322 V C -0.900 175.223 176.094 0.047 0.000 1.026 322 V CA -0.812 61.499 62.300 0.019 0.000 0.807 322 V CB 1.100 32.956 31.823 0.054 0.000 1.044 322 V HN 0.754 nan 8.190 nan 0.000 0.443 323 D N 4.621 125.039 120.400 0.031 0.000 2.342 323 D HA 0.349 4.989 4.640 0.000 0.000 0.260 323 D C 1.047 177.386 176.300 0.066 0.000 1.278 323 D CA 0.711 54.729 54.000 0.030 0.000 0.910 323 D CB 1.355 42.153 40.800 -0.003 0.000 1.079 323 D HN 0.884 nan 8.370 nan 0.000 0.496 324 G N 2.439 111.283 108.800 0.074 0.000 2.580 324 G HA2 -0.206 3.754 3.960 0.000 0.000 0.204 324 G HA3 -0.206 3.754 3.960 0.000 0.000 0.204 324 G C -0.478 174.486 174.900 0.106 0.000 1.107 324 G CA -0.799 44.340 45.100 0.065 0.000 0.881 324 G HN 0.472 nan 8.290 nan 0.000 0.497 325 F N 1.503 121.389 119.950 -0.107 0.000 2.420 325 F HA 0.790 5.317 4.527 0.000 0.000 0.342 325 F C -0.376 175.315 175.800 -0.181 0.000 1.113 325 F CA -1.628 56.341 58.000 -0.052 0.000 1.059 325 F CB 0.866 39.849 39.000 -0.027 0.000 1.128 325 F HN 0.136 nan 8.300 nan 0.000 0.475 326 Y N 4.639 124.425 120.300 -0.857 0.000 2.352 326 Y HA 0.648 5.198 4.550 0.000 0.000 0.339 326 Y C 0.294 175.571 175.900 -1.038 0.000 0.992 326 Y CA -0.972 56.692 58.100 -0.727 0.000 1.100 326 Y CB 1.570 39.823 38.460 -0.345 0.000 1.192 326 Y HN 0.834 nan 8.280 nan 0.000 0.458 327 A N 4.294 126.782 122.820 -0.553 0.000 2.340 327 A HA 0.609 4.930 4.320 0.000 0.000 0.268 327 A C -0.249 177.259 177.584 -0.126 0.000 1.100 327 A CA -0.694 51.166 52.037 -0.295 0.000 0.803 327 A CB 0.543 19.522 19.000 -0.034 0.000 1.043 327 A HN 0.816 nan 8.150 nan 0.000 0.488 328 R N 2.234 122.685 120.500 -0.082 0.000 2.371 328 R HA 0.122 4.462 4.340 0.000 0.000 0.312 328 R C -1.201 175.052 176.300 -0.080 0.000 0.980 328 R CA -0.478 55.578 56.100 -0.073 0.000 0.867 328 R CB 0.634 30.884 30.300 -0.084 0.000 1.163 328 R HN 0.941 nan 8.270 nan 0.000 0.492 329 D N 4.460 124.826 120.400 -0.058 0.000 2.520 329 D HA -0.075 4.565 4.640 0.000 0.000 0.243 329 D C 1.331 177.534 176.300 -0.162 0.000 1.160 329 D CA 0.391 54.351 54.000 -0.067 0.000 0.877 329 D CB 0.996 41.799 40.800 0.005 0.000 1.150 329 D HN 0.561 nan 8.370 nan 0.000 0.494 330 L N 2.854 123.845 121.223 -0.386 0.000 2.191 330 L HA -0.162 4.178 4.340 0.000 0.000 0.212 330 L C 2.470 179.153 176.870 -0.311 0.000 1.103 330 L CA 0.937 55.406 54.840 -0.619 0.000 0.769 330 L CB -0.132 40.967 42.059 -1.600 0.000 0.908 330 L HN 0.413 nan 8.230 nan 0.000 0.438 331 T N -2.267 112.281 114.554 -0.010 0.000 3.009 331 T HA -0.072 4.278 4.350 0.000 0.000 0.258 331 T C 1.802 176.555 174.700 0.087 0.000 1.063 331 T CA 1.536 63.757 62.100 0.202 0.000 1.139 331 T CB 0.063 69.155 68.868 0.373 0.000 0.890 331 T HN 0.510 nan 8.240 nan 0.000 0.471 332 T N -1.692 112.887 114.554 0.041 0.000 2.969 332 T HA 0.233 4.583 4.350 0.000 0.000 0.250 332 T C 0.941 175.638 174.700 -0.006 0.000 1.021 332 T CA -0.044 62.072 62.100 0.025 0.000 1.003 332 T CB 0.252 69.141 68.868 0.034 0.000 1.040 332 T HN 0.080 nan 8.240 nan 0.000 0.492 333 K N 0.221 120.601 120.400 -0.033 0.000 3.587 333 K HA -0.108 4.212 4.320 0.000 0.000 0.294 333 K C 0.533 177.108 176.600 -0.041 0.000 1.279 333 K CA 0.984 57.242 56.287 -0.048 0.000 1.004 333 K CB -2.535 29.941 32.500 -0.040 0.000 1.276 333 K HN 0.799 nan 8.250 nan 0.000 0.459 334 A N 2.001 124.807 122.820 -0.025 0.000 2.477 334 A HA 0.328 4.648 4.320 0.000 0.000 0.246 334 A C 0.568 178.137 177.584 -0.025 0.000 1.078 334 A CA 0.077 52.102 52.037 -0.019 0.000 0.770 334 A CB 0.208 19.206 19.000 -0.002 0.000 1.011 334 A HN 0.315 nan 8.150 nan 0.000 0.494 335 R N 2.138 122.619 120.500 -0.031 0.000 2.457 335 R HA 0.556 4.896 4.340 0.000 0.000 0.284 335 R C 0.365 176.677 176.300 0.019 0.000 1.024 335 R CA -0.060 56.022 56.100 -0.031 0.000 1.025 335 R CB 0.856 31.111 30.300 -0.074 0.000 1.063 335 R HN 0.886 nan 8.270 nan 0.000 0.493 336 A N 1.400 124.259 122.820 0.065 0.000 2.448 336 A HA 0.074 4.394 4.320 0.000 0.000 0.239 336 A C 1.109 178.809 177.584 0.194 0.000 1.080 336 A CA 0.295 52.393 52.037 0.101 0.000 0.779 336 A CB 0.286 19.302 19.000 0.028 0.000 1.026 336 A HN 0.947 nan 8.150 nan 0.000 0.499 337 T N -1.704 112.923 114.554 0.122 0.000 3.054 337 T HA 0.480 4.830 4.350 0.000 0.000 0.259 337 T C 0.522 175.319 174.700 0.161 0.000 1.092 337 T CA 0.791 62.969 62.100 0.130 0.000 1.121 337 T CB -0.135 68.774 68.868 0.068 0.000 0.912 337 T HN 1.608 nan 8.240 nan 0.000 0.489 338 A N 1.807 124.655 122.820 0.046 0.000 2.515 338 A HA 0.793 5.114 4.320 0.000 0.000 0.298 338 A C -3.073 174.264 177.584 -0.412 0.000 1.059 338 A CA -1.904 50.078 52.037 -0.092 0.000 0.698 338 A CB 1.363 20.344 19.000 -0.032 0.000 1.289 338 A HN 0.162 nan 8.150 nan 0.000 0.404 339 P HA 0.613 nan 4.420 nan 0.000 0.278 339 P C -0.195 176.986 177.300 -0.198 0.000 1.266 339 P CA -0.138 62.557 63.100 -0.676 0.000 0.807 339 P CB 1.216 32.577 31.700 -0.565 0.000 1.094 340 T N -4.299 110.239 114.554 -0.026 0.000 2.887 340 T HA 0.437 4.787 4.350 0.000 0.000 0.292 340 T C -0.444 174.335 174.700 0.132 0.000 1.087 340 T CA -0.618 61.548 62.100 0.110 0.000 1.009 340 T CB 0.472 69.463 68.868 0.206 0.000 1.203 340 T HN 0.133 nan 8.240 nan 0.000 0.518 341 T N 2.232 116.873 114.554 0.145 0.000 3.579 341 T HA 0.320 4.670 4.350 0.000 0.000 0.328 341 T C 0.246 174.966 174.700 0.032 0.000 1.481 341 T CA -0.412 61.749 62.100 0.103 0.000 1.144 341 T CB -0.580 68.393 68.868 0.175 0.000 1.205 341 T HN 0.526 nan 8.240 nan 0.000 0.812 342 R N 3.321 123.781 120.500 -0.068 0.000 2.351 342 R HA 0.153 4.493 4.340 0.000 0.000 0.318 342 R C -0.304 175.782 176.300 -0.356 0.000 1.055 342 R CA -0.208 55.722 56.100 -0.283 0.000 0.968 342 R CB -0.260 29.609 30.300 -0.718 0.000 0.974 342 R HN 0.281 nan 8.270 nan 0.000 0.439 343 N N 3.739 122.145 118.700 -0.489 0.000 2.518 343 N HA 0.357 5.097 4.740 0.000 0.000 0.283 343 N C -1.183 173.999 175.510 -0.547 0.000 1.119 343 N CA -0.204 52.437 53.050 -0.682 0.000 0.983 343 N CB 0.978 38.779 38.487 -1.143 0.000 1.139 343 N HN 0.334 nan 8.380 nan 0.000 0.465 344 L N 1.879 122.848 121.223 -0.424 0.000 2.441 344 L HA 0.465 4.805 4.340 0.000 0.000 0.270 344 L C -1.142 175.760 176.870 0.055 0.000 0.973 344 L CA -0.437 54.366 54.840 -0.062 0.000 0.842 344 L CB 1.579 43.664 42.059 0.043 0.000 1.239 344 L HN 0.333 nan 8.230 nan 0.000 0.406 345 L N 2.394 123.803 121.223 0.310 0.000 2.346 345 L HA 0.835 5.175 4.340 0.000 0.000 0.276 345 L C -0.046 176.902 176.870 0.130 0.000 1.006 345 L CA 0.083 55.075 54.840 0.252 0.000 0.817 345 L CB 2.196 44.461 42.059 0.344 0.000 1.272 345 L HN 0.622 nan 8.230 nan 0.000 0.421 346 T N 2.211 116.771 114.554 0.011 0.000 2.864 346 T HA 0.563 4.913 4.350 0.000 0.000 0.310 346 T C -0.097 174.514 174.700 -0.149 0.000 1.040 346 T CA -0.002 62.078 62.100 -0.033 0.000 0.977 346 T CB 0.327 69.229 68.868 0.056 0.000 0.976 346 T HN 0.858 nan 8.240 nan 0.000 0.459 347 T N 2.924 117.262 114.554 -0.360 0.000 2.902 347 T HA 0.496 4.846 4.350 0.000 0.000 0.280 347 T C -1.741 172.824 174.700 -0.226 0.000 0.992 347 T CA -1.877 60.023 62.100 -0.334 0.000 1.015 347 T CB 0.938 69.434 68.868 -0.620 0.000 1.044 347 T HN 0.253 nan 8.240 nan 0.000 0.520 348 P HA -0.008 nan 4.420 nan 0.000 0.224 348 P C 0.988 178.253 177.300 -0.058 0.000 1.142 348 P CA 0.862 63.950 63.100 -0.019 0.000 0.778 348 P CB 0.115 31.834 31.700 0.032 0.000 0.764 349 K N -1.884 118.448 120.400 -0.113 0.000 2.391 349 K HA 0.251 4.571 4.320 0.000 0.000 0.197 349 K C 0.532 177.192 176.600 0.100 0.000 1.087 349 K CA 0.274 56.551 56.287 -0.017 0.000 1.012 349 K CB 0.640 33.202 32.500 0.104 0.000 0.925 349 K HN 0.276 nan 8.250 nan 0.000 0.547 350 F N -2.325 117.609 119.950 -0.027 0.000 2.770 350 F HA 0.417 4.944 4.527 0.000 0.000 0.313 350 F C -1.043 174.832 175.800 0.125 0.000 1.154 350 F CA -1.108 56.926 58.000 0.055 0.000 0.923 350 F CB 0.868 39.847 39.000 -0.036 0.000 1.301 350 F HN -0.382 nan 8.300 nan 0.000 0.449 351 T N 2.069 116.887 114.554 0.440 0.000 2.824 351 T HA 0.618 4.968 4.350 0.000 0.000 0.280 351 T C -1.339 173.746 174.700 0.642 0.000 0.995 351 T CA -0.634 61.712 62.100 0.410 0.000 1.009 351 T CB 1.556 70.640 68.868 0.360 0.000 0.955 351 T HN 0.833 nan 8.240 nan 0.000 0.452 352 V N 2.888 123.154 119.914 0.587 0.000 2.531 352 V HA 0.861 4.981 4.120 0.000 0.000 0.301 352 V C -0.678 175.835 176.094 0.699 0.000 1.034 352 V CA -0.584 62.094 62.300 0.631 0.000 0.865 352 V CB 1.089 33.298 31.823 0.642 0.000 0.995 352 V HN 1.073 nan 8.190 nan 0.000 0.424 353 A N 6.395 129.623 122.820 0.681 0.000 2.337 353 A HA 1.060 5.380 4.320 0.000 0.000 0.331 353 A C -1.125 176.859 177.584 0.668 0.000 1.137 353 A CA -0.371 52.002 52.037 0.560 0.000 0.807 353 A CB 1.249 20.507 19.000 0.430 0.000 1.250 353 A HN 1.990 nan 8.150 nan 0.000 0.468 354 W N 0.718 122.132 121.300 0.189 0.000 3.499 354 W HA 0.509 5.169 4.660 0.000 0.000 0.288 354 W C -1.860 174.750 176.519 0.151 0.000 1.258 354 W CA -0.797 56.662 57.345 0.190 0.000 1.203 354 W CB 0.301 29.923 29.460 0.270 0.000 1.325 354 W HN 0.548 nan 8.180 nan 0.000 0.564 355 D N 1.869 122.387 120.400 0.197 0.000 2.382 355 D HA 0.043 4.683 4.640 0.000 0.000 0.245 355 D C -0.757 175.596 176.300 0.089 0.000 1.120 355 D CA 0.533 54.594 54.000 0.101 0.000 0.890 355 D CB 0.791 41.693 40.800 0.170 0.000 1.201 355 D HN 0.561 nan 8.370 nan 0.000 0.433 356 W N 3.167 124.408 121.300 -0.098 0.000 2.316 356 W HA 0.403 5.063 4.660 0.000 0.000 0.311 356 W C -0.726 175.821 176.519 0.047 0.000 1.217 356 W CA -0.487 56.834 57.345 -0.040 0.000 1.199 356 W CB 0.581 30.005 29.460 -0.060 0.000 1.202 356 W HN 0.198 nan 8.180 nan 0.000 0.528 357 V N 4.310 123.662 119.914 -0.936 0.000 3.049 357 V HA 0.679 4.799 4.120 0.000 0.000 0.309 357 V C -2.697 172.599 176.094 -1.330 0.000 1.148 357 V CA -3.098 58.600 62.300 -1.004 0.000 0.990 357 V CB 1.502 33.128 31.823 -0.328 0.000 1.039 357 V HN 0.510 nan 8.190 nan 0.000 0.430 358 P HA 0.233 nan 4.420 nan 0.000 0.269 358 P C 0.417 177.349 177.300 -0.613 0.000 1.215 358 P CA -0.126 62.581 63.100 -0.656 0.000 0.780 358 P CB 0.795 32.300 31.700 -0.324 0.000 0.898 359 K N 2.361 122.297 120.400 -0.774 0.000 1.965 359 K HA -0.172 4.148 4.320 0.000 0.000 0.214 359 K C 1.969 178.076 176.600 -0.822 0.000 1.046 359 K CA 1.462 56.893 56.287 -1.427 0.000 0.944 359 K CB -0.190 31.679 32.500 -1.052 0.000 0.726 359 K HN 0.248 nan 8.250 nan 0.000 0.441 360 R N 0.149 120.368 120.500 -0.468 0.000 2.143 360 R HA -0.159 4.181 4.340 0.000 0.000 0.239 360 R C -0.815 175.345 176.300 -0.234 0.000 1.126 360 R CA 2.049 57.976 56.100 -0.289 0.000 0.927 360 R CB -1.630 28.563 30.300 -0.179 0.000 0.860 360 R HN 0.402 nan 8.270 nan 0.000 0.433 361 P HA 0.056 nan 4.420 nan 0.000 0.242 361 P C 0.165 177.397 177.300 -0.113 0.000 1.197 361 P CA 1.161 64.186 63.100 -0.125 0.000 0.765 361 P CB 0.420 32.061 31.700 -0.099 0.000 0.936 362 S N -1.493 114.091 115.700 -0.194 0.000 2.554 362 S HA 0.159 4.629 4.470 0.000 0.000 0.227 362 S C 0.627 175.171 174.600 -0.094 0.000 1.050 362 S CA -0.102 58.042 58.200 -0.092 0.000 0.927 362 S CB 0.619 63.761 63.200 -0.096 0.000 0.859 362 S HN -0.044 nan 8.310 nan 0.000 0.494 363 V N 0.744 120.487 119.914 -0.285 0.000 2.789 363 V HA 0.646 4.766 4.120 0.000 0.000 0.311 363 V C -1.141 174.891 176.094 -0.103 0.000 1.073 363 V CA -0.685 61.454 62.300 -0.268 0.000 0.921 363 V CB 1.798 33.203 31.823 -0.697 0.000 1.009 363 V HN 0.400 nan 8.190 nan 0.000 0.426 364 c N 3.028 121.650 118.600 0.036 0.000 2.985 364 c HA 0.554 5.124 4.570 0.000 0.000 0.314 364 c C 1.161 175.337 174.090 0.143 0.000 1.215 364 c CA 0.227 56.600 56.329 0.073 0.000 1.414 364 c CB 1.762 44.307 42.510 0.057 0.000 1.842 364 c HN 1.031 nan 8.230 nan 0.000 0.477 365 T N 1.187 115.805 114.554 0.106 0.000 3.188 365 T HA 0.345 4.695 4.350 0.000 0.000 0.250 365 T C 0.290 175.013 174.700 0.039 0.000 1.077 365 T CA 0.065 62.206 62.100 0.069 0.000 0.967 365 T CB -0.231 68.626 68.868 -0.018 0.000 1.006 365 T HN 0.550 nan 8.240 nan 0.000 0.552 366 M N 1.061 120.708 119.600 0.078 0.000 2.631 366 M HA 0.515 4.996 4.480 0.000 0.000 0.288 366 M C -1.102 175.323 176.300 0.209 0.000 1.260 366 M CA -0.368 55.007 55.300 0.125 0.000 0.842 366 M CB 2.243 34.905 32.600 0.103 0.000 1.743 366 M HN -0.015 nan 8.290 nan 0.000 0.461 367 T N 0.822 115.538 114.554 0.271 0.000 2.952 367 T HA 0.300 4.650 4.350 0.000 0.000 0.305 367 T C -0.637 174.177 174.700 0.189 0.000 1.064 367 T CA -0.800 61.440 62.100 0.232 0.000 1.008 367 T CB 2.214 71.166 68.868 0.140 0.000 1.078 367 T HN 0.607 nan 8.240 nan 0.000 0.459 368 K N 2.137 122.546 120.400 0.015 0.000 2.336 368 K HA 0.063 4.383 4.320 0.000 0.000 0.290 368 K C 0.299 176.835 176.600 -0.106 0.000 1.067 368 K CA -0.254 55.785 56.287 -0.414 0.000 0.962 368 K CB 0.150 32.440 32.500 -0.351 0.000 1.008 368 K HN 0.711 nan 8.250 nan 0.000 0.467 369 W N 3.950 125.095 121.300 -0.259 0.000 2.580 369 W HA 0.118 4.778 4.660 0.000 0.000 0.287 369 W C -0.301 176.169 176.519 -0.082 0.000 1.175 369 W CA 0.688 57.981 57.345 -0.087 0.000 1.409 369 W CB 0.690 30.169 29.460 0.031 0.000 1.101 369 W HN 0.428 nan 8.180 nan 0.000 0.558 370 Q N 1.395 120.981 119.800 -0.357 0.000 2.304 370 Q HA 0.210 4.550 4.340 0.000 0.000 0.270 370 Q C -1.460 174.358 176.000 -0.304 0.000 1.035 370 Q CA -0.355 55.132 55.803 -0.526 0.000 0.781 370 Q CB 1.911 30.177 28.738 -0.788 0.000 1.261 370 Q HN 0.182 nan 8.270 nan 0.000 0.444 371 E N 1.603 121.658 120.200 -0.242 0.000 2.130 371 E HA 0.410 4.760 4.350 0.000 0.000 0.284 371 E C -0.829 175.696 176.600 -0.125 0.000 1.018 371 E CA -0.382 55.928 56.400 -0.151 0.000 0.817 371 E CB 1.462 31.097 29.700 -0.109 0.000 1.078 371 E HN 0.152 nan 8.360 nan 0.000 0.396 372 V N 4.428 124.294 119.914 -0.080 0.000 2.444 372 V HA 0.052 4.172 4.120 0.000 0.000 0.294 372 V C -0.036 176.059 176.094 0.003 0.000 1.022 372 V CA -0.567 61.708 62.300 -0.042 0.000 0.850 372 V CB 1.595 33.408 31.823 -0.016 0.000 0.992 372 V HN 0.651 nan 8.190 nan 0.000 0.426 373 D N 1.944 122.359 120.400 0.024 0.000 2.103 373 D HA -0.027 4.613 4.640 0.000 0.000 0.199 373 D C 0.639 177.005 176.300 0.110 0.000 0.978 373 D CA 1.262 55.315 54.000 0.089 0.000 0.829 373 D CB 0.337 41.203 40.800 0.109 0.000 0.981 373 D HN 0.595 nan 8.370 nan 0.000 0.464 374 E N 0.237 120.494 120.200 0.095 0.000 2.183 374 E HA 0.286 4.636 4.350 0.000 0.000 0.250 374 E C -0.829 175.849 176.600 0.130 0.000 0.901 374 E CA -0.437 56.031 56.400 0.113 0.000 0.741 374 E CB 1.475 31.233 29.700 0.097 0.000 1.182 374 E HN 0.025 nan 8.360 nan 0.000 0.425 375 M N 3.937 123.656 119.600 0.198 0.000 2.078 375 M HA 0.286 4.766 4.480 0.000 0.000 0.320 375 M C -1.640 174.879 176.300 0.365 0.000 0.969 375 M CA -0.454 55.027 55.300 0.301 0.000 0.929 375 M CB 0.671 33.511 32.600 0.400 0.000 1.504 375 M HN 0.339 nan 8.290 nan 0.000 0.419 376 L N 5.321 126.691 121.223 0.244 0.000 2.268 376 L HA 0.473 4.813 4.340 0.000 0.000 0.289 376 L C 0.348 177.259 176.870 0.068 0.000 1.064 376 L CA -0.533 54.422 54.840 0.192 0.000 0.824 376 L CB 0.336 42.468 42.059 0.121 0.000 1.202 376 L HN 0.639 nan 8.230 nan 0.000 0.433 377 R N 3.296 123.735 120.500 -0.101 0.000 2.340 377 R HA 0.390 4.730 4.340 0.000 0.000 0.300 377 R C -0.630 175.513 176.300 -0.260 0.000 1.069 377 R CA 0.030 55.764 56.100 -0.610 0.000 0.984 377 R CB 1.430 31.080 30.300 -1.084 0.000 1.003 377 R HN 0.722 nan 8.270 nan 0.000 0.459 378 S N 2.173 117.723 115.700 -0.250 0.000 2.668 378 S HA 0.170 4.640 4.470 0.000 0.000 0.277 378 S C -0.750 173.854 174.600 0.005 0.000 1.170 378 S CA -1.000 57.115 58.200 -0.142 0.000 0.994 378 S CB 1.624 64.659 63.200 -0.275 0.000 1.051 378 S HN 0.679 nan 8.310 nan 0.000 0.484 379 E N 2.353 122.596 120.200 0.072 0.000 2.316 379 E HA 0.279 4.629 4.350 0.000 0.000 0.275 379 E C -1.610 175.041 176.600 0.086 0.000 1.029 379 E CA -0.434 56.022 56.400 0.093 0.000 0.871 379 E CB 0.555 30.288 29.700 0.054 0.000 1.022 379 E HN 0.692 nan 8.360 nan 0.000 0.418 380 Y N 3.471 123.704 120.300 -0.110 0.000 2.441 380 Y HA 0.331 4.881 4.550 0.000 0.000 0.345 380 Y C -0.167 175.682 175.900 -0.086 0.000 1.129 380 Y CA -0.190 57.854 58.100 -0.093 0.000 1.333 380 Y CB 0.929 39.345 38.460 -0.073 0.000 1.104 380 Y HN 0.705 nan 8.280 nan 0.000 0.551 381 G N 2.535 111.184 108.800 -0.253 0.000 2.401 381 G HA2 0.187 4.147 3.960 0.000 0.000 0.283 381 G HA3 0.187 4.147 3.960 0.000 0.000 0.283 381 G C 1.017 175.787 174.900 -0.217 0.000 1.117 381 G CA 0.607 45.522 45.100 -0.310 0.000 1.051 381 G HN 2.003 nan 8.290 nan 0.000 0.510 382 G N -1.935 106.749 108.800 -0.194 0.000 2.166 382 G HA2 -0.003 3.957 3.960 0.000 0.000 0.260 382 G HA3 -0.003 3.957 3.960 0.000 0.000 0.260 382 G C 0.586 175.351 174.900 -0.225 0.000 0.986 382 G CA 1.164 46.150 45.100 -0.191 0.000 0.683 382 G HN 1.879 nan 8.290 nan 0.000 0.527 383 S N -1.412 114.139 115.700 -0.247 0.000 2.811 383 S HA 0.907 5.377 4.470 0.000 0.000 0.311 383 S C -1.119 173.308 174.600 -0.289 0.000 1.152 383 S CA -0.722 57.355 58.200 -0.205 0.000 0.864 383 S CB 1.699 64.867 63.200 -0.053 0.000 1.226 383 S HN 0.285 nan 8.310 nan 0.000 0.541 384 F N 1.044 120.962 119.950 -0.053 0.000 2.577 384 F HA 0.598 5.125 4.527 0.000 0.000 0.318 384 F C 0.051 175.768 175.800 -0.138 0.000 1.065 384 F CA -1.037 56.847 58.000 -0.193 0.000 0.929 384 F CB 1.717 40.509 39.000 -0.347 0.000 1.237 384 F HN 0.289 nan 8.300 nan 0.000 0.468 385 R N 2.248 122.734 120.500 -0.022 0.000 2.435 385 R HA 0.420 4.760 4.340 0.000 0.000 0.308 385 R C -1.779 174.382 176.300 -0.231 0.000 0.975 385 R CA -0.482 55.616 56.100 -0.003 0.000 0.867 385 R CB 1.219 31.563 30.300 0.073 0.000 1.171 385 R HN 0.380 nan 8.270 nan 0.000 0.470 386 F N 1.447 121.460 119.950 0.106 0.000 2.309 386 F HA 0.234 4.762 4.527 0.000 0.000 0.366 386 F C 0.823 176.734 175.800 0.185 0.000 1.104 386 F CA -0.369 57.679 58.000 0.080 0.000 1.179 386 F CB 1.504 40.543 39.000 0.066 0.000 1.437 386 F HN 0.306 nan 8.300 nan 0.000 0.528 387 S N 2.257 118.120 115.700 0.271 0.000 2.562 387 S HA 0.495 4.965 4.470 0.000 0.000 0.275 387 S C -0.050 174.707 174.600 0.261 0.000 1.281 387 S CA -0.375 58.002 58.200 0.295 0.000 1.045 387 S CB 1.047 64.409 63.200 0.270 0.000 0.962 387 S HN 0.478 nan 8.310 nan 0.000 0.503 388 S N 3.143 118.971 115.700 0.214 0.000 2.652 388 S HA 0.296 4.766 4.470 0.000 0.000 0.252 388 S C -0.062 174.491 174.600 -0.078 0.000 1.219 388 S CA -0.688 57.553 58.200 0.069 0.000 1.151 388 S CB 0.597 63.806 63.200 0.017 0.000 1.080 388 S HN 0.795 nan 8.310 nan 0.000 0.481 389 D N 3.179 123.594 120.400 0.025 0.000 2.263 389 D HA 0.015 4.655 4.640 0.000 0.000 0.208 389 D C 2.052 178.244 176.300 -0.180 0.000 0.971 389 D CA 1.409 55.383 54.000 -0.044 0.000 0.867 389 D CB 0.180 40.999 40.800 0.032 0.000 0.929 389 D HN 0.662 nan 8.370 nan 0.000 0.492 390 A N 0.739 123.474 122.820 -0.142 0.000 1.855 390 A HA -0.091 4.229 4.320 0.000 0.000 0.215 390 A C 1.990 179.451 177.584 -0.206 0.000 1.191 390 A CA 1.099 53.050 52.037 -0.143 0.000 0.613 390 A CB -0.587 18.352 19.000 -0.102 0.000 0.829 390 A HN 0.429 nan 8.150 nan 0.000 0.442 391 I N -4.397 116.018 120.570 -0.259 0.000 3.904 391 I HA 0.264 4.434 4.170 0.000 0.000 0.333 391 I C 0.072 175.920 176.117 -0.448 0.000 1.361 391 I CA 0.303 61.429 61.300 -0.290 0.000 1.116 391 I CB -0.092 37.753 38.000 -0.259 0.000 1.028 391 I HN 0.051 nan 8.210 nan 0.000 0.398 392 S N 1.107 116.377 115.700 -0.716 0.000 3.550 392 S HA -0.159 4.311 4.470 0.000 0.000 0.372 392 S C 0.213 174.077 174.600 -1.228 0.000 0.966 392 S CA 1.094 58.417 58.200 -1.462 0.000 1.229 392 S CB -2.025 60.680 63.200 -0.824 0.000 0.917 392 S HN 0.777 nan 8.310 nan 0.000 0.496 393 T N 1.587 115.630 114.554 -0.850 0.000 2.886 393 T HA 0.589 4.939 4.350 0.000 0.000 0.292 393 T C -0.153 174.409 174.700 -0.230 0.000 1.012 393 T CA -0.534 61.267 62.100 -0.497 0.000 0.982 393 T CB 2.114 70.679 68.868 -0.506 0.000 1.018 393 T HN 0.142 nan 8.240 nan 0.000 0.451 394 T N 3.148 117.575 114.554 -0.213 0.000 2.841 394 T HA 0.641 4.991 4.350 0.000 0.000 0.285 394 T C -0.748 173.793 174.700 -0.266 0.000 0.991 394 T CA -0.431 61.648 62.100 -0.035 0.000 0.966 394 T CB 0.520 69.495 68.868 0.179 0.000 0.962 394 T HN 0.334 nan 8.240 nan 0.000 0.438 395 F N 1.085 121.121 119.950 0.145 0.000 2.452 395 F HA 0.709 5.236 4.527 0.000 0.000 0.353 395 F C 0.929 176.875 175.800 0.244 0.000 1.089 395 F CA -0.729 57.370 58.000 0.165 0.000 1.080 395 F CB 1.547 40.649 39.000 0.169 0.000 1.399 395 F HN 0.300 nan 8.300 nan 0.000 0.492 396 T N 0.123 114.991 114.554 0.522 0.000 3.578 396 T HA 0.353 4.703 4.350 0.000 0.000 0.329 396 T C -0.607 174.312 174.700 0.365 0.000 0.913 396 T CA -0.933 61.394 62.100 0.379 0.000 1.029 396 T CB 0.913 69.952 68.868 0.286 0.000 1.045 396 T HN 0.764 nan 8.240 nan 0.000 0.460 397 T N 0.881 115.668 114.554 0.389 0.000 2.905 397 T HA 0.666 5.016 4.350 0.000 0.000 0.283 397 T C 0.069 174.928 174.700 0.266 0.000 1.031 397 T CA -0.912 61.403 62.100 0.359 0.000 1.002 397 T CB 1.110 70.259 68.868 0.467 0.000 1.200 397 T HN 0.218 nan 8.240 nan 0.000 0.560 398 N N 0.122 118.975 118.700 0.256 0.000 2.424 398 N HA 0.308 5.049 4.740 0.000 0.000 0.257 398 N C 1.318 176.914 175.510 0.144 0.000 1.250 398 N CA -0.679 52.461 53.050 0.150 0.000 0.946 398 N CB 0.413 39.002 38.487 0.169 0.000 1.175 398 N HN 0.593 nan 8.380 nan 0.000 0.477 399 L N -0.499 120.657 121.223 -0.112 0.000 2.217 399 L HA -0.055 4.285 4.340 0.000 0.000 0.211 399 L C 1.487 178.555 176.870 0.332 0.000 1.107 399 L CA 0.832 55.487 54.840 -0.308 0.000 0.783 399 L CB -0.338 41.478 42.059 -0.404 0.000 0.919 399 L HN 0.509 nan 8.230 nan 0.000 0.442 400 T N -0.720 114.024 114.554 0.316 0.000 2.816 400 T HA 0.117 4.467 4.350 0.000 0.000 0.282 400 T C 0.238 175.234 174.700 0.493 0.000 0.993 400 T CA -0.524 61.788 62.100 0.354 0.000 0.994 400 T CB 1.098 70.087 68.868 0.201 0.000 1.025 400 T HN 0.080 nan 8.240 nan 0.000 0.529 401 E N 0.142 120.507 120.200 0.274 0.000 2.322 401 E HA 0.229 4.579 4.350 0.000 0.000 0.257 401 E C -1.502 175.201 176.600 0.172 0.000 1.155 401 E CA -0.518 55.933 56.400 0.085 0.000 0.936 401 E CB 0.817 30.491 29.700 -0.044 0.000 1.130 401 E HN 0.607 nan 8.360 nan 0.000 0.465 402 Y N 2.169 122.477 120.300 0.013 0.000 2.328 402 Y HA 0.262 4.813 4.550 0.000 0.000 0.337 402 Y C -2.140 173.753 175.900 -0.011 0.000 0.966 402 Y CA -2.585 55.535 58.100 0.033 0.000 1.136 402 Y CB 1.192 39.685 38.460 0.054 0.000 1.170 402 Y HN 0.204 nan 8.280 nan 0.000 0.470 403 P HA -0.003 nan 4.420 nan 0.000 0.269 403 P C 0.254 177.325 177.300 -0.382 0.000 1.263 403 P CA 0.120 62.999 63.100 -0.369 0.000 0.813 403 P CB 0.980 32.469 31.700 -0.352 0.000 0.868 404 L N 3.431 124.530 121.223 -0.206 0.000 2.265 404 L HA -0.181 4.159 4.340 0.000 0.000 0.215 404 L C 2.557 179.337 176.870 -0.150 0.000 1.117 404 L CA 2.041 56.777 54.840 -0.173 0.000 0.782 404 L CB -1.397 40.484 42.059 -0.296 0.000 0.914 404 L HN 0.363 nan 8.230 nan 0.000 0.441 405 S N -0.853 114.757 115.700 -0.151 0.000 2.442 405 S HA -0.199 4.271 4.470 0.000 0.000 0.236 405 S C 2.318 176.855 174.600 -0.105 0.000 1.007 405 S CA 1.069 59.202 58.200 -0.113 0.000 0.965 405 S CB -0.644 62.496 63.200 -0.099 0.000 0.773 405 S HN 0.479 nan 8.310 nan 0.000 0.504 406 R N 1.055 121.465 120.500 -0.150 0.000 2.161 406 R HA 0.447 4.787 4.340 0.000 0.000 0.213 406 R C 1.090 177.365 176.300 -0.040 0.000 1.055 406 R CA 0.888 56.914 56.100 -0.124 0.000 0.996 406 R CB -1.285 28.871 30.300 -0.240 0.000 0.901 406 R HN 0.416 nan 8.270 nan 0.000 0.456 407 V N 2.664 122.568 119.914 -0.016 0.000 2.585 407 V HA 0.099 4.219 4.120 0.000 0.000 0.296 407 V C -0.390 175.706 176.094 0.004 0.000 1.035 407 V CA -0.406 61.911 62.300 0.028 0.000 1.084 407 V CB 1.316 33.150 31.823 0.019 0.000 0.953 407 V HN 0.533 nan 8.190 nan 0.000 0.483 408 D N 4.440 124.855 120.400 0.025 0.000 2.308 408 D HA 0.268 4.908 4.640 0.000 0.000 0.251 408 D C 0.376 176.719 176.300 0.070 0.000 1.127 408 D CA -0.118 53.919 54.000 0.060 0.000 0.876 408 D CB 0.503 41.372 40.800 0.115 0.000 1.176 408 D HN 0.499 nan 8.370 nan 0.000 0.446 409 L N 3.149 124.407 121.223 0.059 0.000 3.844 409 L HA -0.203 4.137 4.340 0.000 0.000 0.580 409 L C 0.611 177.488 176.870 0.011 0.000 1.156 409 L CA 0.755 55.618 54.840 0.037 0.000 0.848 409 L CB -0.877 41.256 42.059 0.124 0.000 1.283 409 L HN 0.677 nan 8.230 nan 0.000 0.803 410 G N -0.204 108.574 108.800 -0.036 0.000 4.917 410 G HA2 0.328 4.288 3.960 0.000 0.000 0.244 410 G HA3 0.328 4.288 3.960 0.000 0.000 0.244 410 G C 0.317 175.156 174.900 -0.101 0.000 1.072 410 G CA -0.296 44.764 45.100 -0.067 0.000 0.850 410 G HN 0.369 nan 8.290 nan 0.000 0.559 411 D N 0.181 120.533 120.400 -0.081 0.000 2.323 411 D HA -0.049 4.591 4.640 0.000 0.000 0.209 411 D C 2.619 178.882 176.300 -0.062 0.000 0.973 411 D CA 0.911 54.862 54.000 -0.082 0.000 0.874 411 D CB 0.113 40.868 40.800 -0.075 0.000 0.930 411 D HN 0.495 nan 8.370 nan 0.000 0.521 412 c N -0.282 118.295 118.600 -0.039 0.000 2.446 412 c HA 0.098 4.668 4.570 0.000 0.000 0.279 412 c C 2.626 176.728 174.090 0.019 0.000 1.366 412 c CA -0.372 55.965 56.329 0.012 0.000 1.763 412 c CB -1.349 41.195 42.510 0.056 0.000 1.929 412 c HN 0.179 nan 8.230 nan 0.000 0.509 413 I N 2.576 123.086 120.570 -0.101 0.000 2.118 413 I HA -0.109 4.061 4.170 0.000 0.000 0.241 413 I C 3.029 179.059 176.117 -0.144 0.000 1.070 413 I CA 2.003 63.117 61.300 -0.310 0.000 1.327 413 I CB -1.208 36.438 38.000 -0.591 0.000 1.034 413 I HN 0.495 nan 8.210 nan 0.000 0.405 414 G N 1.012 109.731 108.800 -0.134 0.000 2.545 414 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 414 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 414 G C 1.673 176.607 174.900 0.056 0.000 1.218 414 G CA 1.006 46.085 45.100 -0.034 0.000 0.787 414 G HN 0.325 nan 8.290 nan 0.000 0.571 415 K N 0.348 120.771 120.400 0.040 0.000 2.034 415 K HA -0.139 4.181 4.320 0.000 0.000 0.214 415 K C 2.244 178.906 176.600 0.103 0.000 1.051 415 K CA 1.668 57.991 56.287 0.060 0.000 0.931 415 K CB -0.277 32.249 32.500 0.044 0.000 0.715 415 K HN 0.159 nan 8.250 nan 0.000 0.446 416 D N 0.343 120.835 120.400 0.154 0.000 2.104 416 D HA -0.165 4.475 4.640 0.000 0.000 0.194 416 D C 1.855 178.298 176.300 0.239 0.000 0.994 416 D CA 1.584 55.714 54.000 0.217 0.000 0.830 416 D CB -0.319 40.699 40.800 0.363 0.000 0.959 416 D HN 0.279 nan 8.370 nan 0.000 0.452 417 A N 0.977 123.994 122.820 0.328 0.000 1.845 417 A HA -0.193 4.127 4.320 0.000 0.000 0.215 417 A C 2.176 179.846 177.584 0.142 0.000 1.195 417 A CA 1.588 53.799 52.037 0.290 0.000 0.616 417 A CB -0.506 18.720 19.000 0.376 0.000 0.832 417 A HN 0.130 nan 8.150 nan 0.000 0.443 418 R N -0.123 120.448 120.500 0.118 0.000 2.080 418 R HA -0.164 4.176 4.340 0.000 0.000 0.236 418 R C 1.731 178.060 176.300 0.049 0.000 1.137 418 R CA 1.750 57.886 56.100 0.060 0.000 0.943 418 R CB -0.745 29.586 30.300 0.052 0.000 0.846 418 R HN 0.472 nan 8.270 nan 0.000 0.431 419 D N 0.399 120.835 120.400 0.061 0.000 2.221 419 D HA -0.135 4.505 4.640 0.000 0.000 0.204 419 D C 1.675 178.004 176.300 0.047 0.000 0.982 419 D CA 1.475 55.506 54.000 0.050 0.000 0.857 419 D CB -0.115 40.716 40.800 0.052 0.000 0.934 419 D HN 0.350 nan 8.370 nan 0.000 0.475 420 A N 0.227 123.078 122.820 0.052 0.000 1.835 420 A HA -0.063 4.257 4.320 0.000 0.000 0.213 420 A C 2.152 179.756 177.584 0.033 0.000 1.210 420 A CA 0.981 53.039 52.037 0.036 0.000 0.605 420 A CB -0.621 18.396 19.000 0.029 0.000 0.860 420 A HN 0.063 nan 8.150 nan 0.000 0.447 421 M N 0.128 119.743 119.600 0.025 0.000 2.089 421 M HA -0.226 4.254 4.480 0.000 0.000 0.257 421 M C 1.560 177.886 176.300 0.044 0.000 1.071 421 M CA 1.986 57.290 55.300 0.007 0.000 1.096 421 M CB -0.785 31.789 32.600 -0.042 0.000 1.330 421 M HN 0.348 nan 8.290 nan 0.000 0.403 422 D N -0.236 120.186 120.400 0.037 0.000 2.182 422 D HA -0.177 4.463 4.640 0.000 0.000 0.201 422 D C 1.949 178.315 176.300 0.110 0.000 0.986 422 D CA 1.211 55.252 54.000 0.069 0.000 0.847 422 D CB -0.488 40.335 40.800 0.038 0.000 0.942 422 D HN 0.437 nan 8.370 nan 0.000 0.467 423 R N 0.624 121.171 120.500 0.077 0.000 2.115 423 R HA -0.052 4.288 4.340 0.000 0.000 0.230 423 R C 2.245 178.596 176.300 0.084 0.000 1.111 423 R CA 0.740 56.882 56.100 0.069 0.000 0.976 423 R CB -0.116 30.210 30.300 0.044 0.000 0.870 423 R HN 0.160 nan 8.270 nan 0.000 0.445 424 I N -0.096 120.536 120.570 0.103 0.000 2.235 424 I HA -0.185 3.985 4.170 0.000 0.000 0.241 424 I C 2.130 178.383 176.117 0.227 0.000 1.085 424 I CA 0.856 62.236 61.300 0.133 0.000 1.378 424 I CB -0.441 37.629 38.000 0.117 0.000 1.076 424 I HN 0.114 nan 8.210 nan 0.000 0.415 425 F N 2.138 122.142 119.950 0.090 0.000 2.192 425 F HA -0.285 4.242 4.527 0.000 0.000 0.301 425 F C 2.386 178.275 175.800 0.149 0.000 1.079 425 F CA 1.406 59.487 58.000 0.136 0.000 1.303 425 F CB -0.185 38.803 39.000 -0.020 0.000 1.024 425 F HN 0.018 nan 8.300 nan 0.000 0.494 426 A N 0.618 123.534 122.820 0.160 0.000 1.855 426 A HA -0.184 4.136 4.320 0.000 0.000 0.215 426 A C 2.382 179.942 177.584 -0.039 0.000 1.191 426 A CA 1.598 53.665 52.037 0.049 0.000 0.613 426 A CB -0.858 18.198 19.000 0.093 0.000 0.829 426 A HN 0.467 nan 8.150 nan 0.000 0.442 427 R N -1.057 119.436 120.500 -0.011 0.000 2.115 427 R HA -0.030 4.310 4.340 0.000 0.000 0.230 427 R C 2.132 178.363 176.300 -0.115 0.000 1.111 427 R CA 1.716 57.788 56.100 -0.046 0.000 0.976 427 R CB -0.123 30.164 30.300 -0.023 0.000 0.870 427 R HN 0.467 nan 8.270 nan 0.000 0.445 428 R N -1.866 118.540 120.500 -0.156 0.000 2.469 428 R HA 0.074 4.414 4.340 0.000 0.000 0.250 428 R C 0.242 176.152 176.300 -0.650 0.000 0.909 428 R CA 0.089 55.960 56.100 -0.382 0.000 1.050 428 R CB 0.672 30.703 30.300 -0.449 0.000 1.256 428 R HN 0.223 nan 8.270 nan 0.000 0.550 429 Y N -0.951 119.108 120.300 -0.401 0.000 2.437 429 Y HA 0.088 4.638 4.550 0.000 0.000 0.266 429 Y C 1.383 176.798 175.900 -0.808 0.000 1.077 429 Y CA 0.072 57.828 58.100 -0.573 0.000 1.235 429 Y CB 0.289 38.319 38.460 -0.718 0.000 1.303 429 Y HN 0.154 nan 8.280 nan 0.000 0.536 430 N N 1.047 119.338 118.700 -0.682 0.000 2.443 430 N HA -0.147 4.593 4.740 0.000 0.000 0.184 430 N C 1.541 176.955 175.510 -0.161 0.000 1.037 430 N CA 1.411 54.202 53.050 -0.432 0.000 0.896 430 N CB -0.130 38.248 38.487 -0.182 0.000 0.959 430 N HN 0.210 nan 8.380 nan 0.000 0.442 431 A N -0.881 121.852 122.820 -0.146 0.000 1.984 431 A HA 0.122 4.443 4.320 0.000 0.000 0.214 431 A C 1.815 179.368 177.584 -0.051 0.000 1.173 431 A CA 1.190 53.180 52.037 -0.078 0.000 0.673 431 A CB -0.148 18.802 19.000 -0.084 0.000 0.830 431 A HN 0.386 nan 8.150 nan 0.000 0.453 432 T N -1.678 112.861 114.554 -0.025 0.000 2.986 432 T HA 0.275 4.625 4.350 0.000 0.000 0.264 432 T C 0.044 174.634 174.700 -0.183 0.000 0.964 432 T CA 0.028 62.083 62.100 -0.075 0.000 0.895 432 T CB 0.025 68.849 68.868 -0.075 0.000 1.163 432 T HN 0.515 nan 8.240 nan 0.000 0.517 433 H N -0.368 118.740 119.070 0.063 0.000 2.864 433 H HA 0.736 5.292 4.556 0.000 0.000 0.354 433 H C -0.935 174.520 175.328 0.211 0.000 1.208 433 H CA -0.971 55.170 56.048 0.155 0.000 1.191 433 H CB 1.528 31.453 29.762 0.271 0.000 1.889 433 H HN 0.013 nan 8.280 nan 0.000 0.574 434 I N 1.242 121.978 120.570 0.276 0.000 2.512 434 I HA 0.186 4.357 4.170 0.000 0.000 0.287 434 I C -0.733 175.335 176.117 -0.081 0.000 1.069 434 I CA -0.820 60.515 61.300 0.058 0.000 1.056 434 I CB 1.718 39.597 38.000 -0.201 0.000 1.229 434 I HN 0.345 nan 8.210 nan 0.000 0.429 435 K N 4.936 125.187 120.400 -0.249 0.000 2.453 435 K HA 0.121 4.441 4.320 0.000 0.000 0.280 435 K C -0.408 176.053 176.600 -0.232 0.000 1.045 435 K CA 0.035 56.115 56.287 -0.344 0.000 1.059 435 K CB 0.670 32.867 32.500 -0.505 0.000 0.901 435 K HN 0.303 nan 8.250 nan 0.000 0.475 436 V N 3.613 123.450 119.914 -0.129 0.000 2.154 436 V HA 0.286 4.406 4.120 0.000 0.000 0.265 436 V C 0.709 176.750 176.094 -0.088 0.000 1.293 436 V CA 0.168 62.488 62.300 0.033 0.000 1.205 436 V CB -0.513 31.374 31.823 0.107 0.000 1.306 436 V HN 1.124 nan 8.190 nan 0.000 0.479 437 G N 3.705 112.405 108.800 -0.166 0.000 2.526 437 G HA2 -0.125 3.835 3.960 0.000 0.000 0.250 437 G HA3 -0.125 3.835 3.960 0.000 0.000 0.250 437 G C -0.787 174.014 174.900 -0.165 0.000 1.289 437 G CA -0.700 44.241 45.100 -0.266 0.000 0.947 437 G HN 0.483 nan 8.290 nan 0.000 0.517 438 Q N 0.498 120.221 119.800 -0.128 0.000 2.266 438 Q HA 0.533 4.873 4.340 0.000 0.000 0.261 438 Q C -2.326 173.604 176.000 -0.116 0.000 0.985 438 Q CA -1.708 54.036 55.803 -0.099 0.000 0.873 438 Q CB 1.710 30.422 28.738 -0.043 0.000 1.306 438 Q HN 0.413 nan 8.270 nan 0.000 0.447 439 P HA -0.166 nan 4.420 nan 0.000 0.263 439 P C -1.057 175.990 177.300 -0.421 0.000 1.162 439 P CA 0.757 63.686 63.100 -0.284 0.000 0.758 439 P CB 0.458 32.003 31.700 -0.258 0.000 0.773 440 Q N 1.317 120.823 119.800 -0.489 0.000 2.240 440 Q HA 0.620 4.960 4.340 0.000 0.000 0.260 440 Q C -1.037 174.412 176.000 -0.918 0.000 1.018 440 Q CA -0.298 55.200 55.803 -0.507 0.000 0.898 440 Q CB 1.177 29.773 28.738 -0.237 0.000 1.301 440 Q HN 0.393 nan 8.270 nan 0.000 0.469 441 Y N 0.196 120.248 120.300 -0.414 0.000 2.307 441 Y HA 0.416 4.966 4.550 0.000 0.000 0.323 441 Y C -1.474 174.212 175.900 -0.356 0.000 1.100 441 Y CA -0.824 57.113 58.100 -0.272 0.000 1.140 441 Y CB 0.898 39.296 38.460 -0.103 0.000 1.159 441 Y HN 0.476 nan 8.280 nan 0.000 0.436 442 Y N 2.256 122.657 120.300 0.168 0.000 2.509 442 Y HA 0.602 5.152 4.550 0.000 0.000 0.341 442 Y C -0.699 175.238 175.900 0.062 0.000 1.038 442 Y CA -1.474 56.738 58.100 0.186 0.000 1.089 442 Y CB 1.467 40.072 38.460 0.241 0.000 1.241 442 Y HN 0.467 nan 8.280 nan 0.000 0.468 443 L N 2.860 124.198 121.223 0.191 0.000 2.268 443 L HA 0.703 5.044 4.340 0.000 0.000 0.289 443 L C -0.013 176.931 176.870 0.124 0.000 1.064 443 L CA -0.524 54.302 54.840 -0.023 0.000 0.824 443 L CB -0.305 41.586 42.059 -0.279 0.000 1.202 443 L HN 0.757 nan 8.230 nan 0.000 0.433 444 A N 4.379 127.281 122.820 0.137 0.000 2.354 444 A HA 0.385 4.705 4.320 0.000 0.000 0.269 444 A C 0.111 177.894 177.584 0.331 0.000 1.109 444 A CA -0.595 51.595 52.037 0.254 0.000 0.800 444 A CB -0.032 19.068 19.000 0.168 0.000 1.045 444 A HN 0.763 nan 8.150 nan 0.000 0.489 445 N N 0.657 119.579 118.700 0.369 0.000 2.412 445 N HA 0.314 5.055 4.740 0.000 0.000 0.258 445 N C 1.119 176.888 175.510 0.432 0.000 1.236 445 N CA 1.654 54.891 53.050 0.313 0.000 0.882 445 N CB 0.974 39.621 38.487 0.267 0.000 1.066 445 N HN 1.189 nan 8.380 nan 0.000 0.465 446 G N 0.498 109.423 108.800 0.209 0.000 2.231 446 G HA2 -0.103 3.857 3.960 0.000 0.000 0.206 446 G HA3 -0.103 3.857 3.960 0.000 0.000 0.206 446 G C 0.554 175.461 174.900 0.012 0.000 0.996 446 G CA 0.138 45.345 45.100 0.180 0.000 0.645 446 G HN 1.252 nan 8.290 nan 0.000 0.498 447 G N -0.897 107.923 108.800 0.034 0.000 2.164 447 G HA2 -0.034 3.926 3.960 0.000 0.000 0.212 447 G HA3 -0.034 3.926 3.960 0.000 0.000 0.212 447 G C 0.009 174.751 174.900 -0.264 0.000 1.031 447 G CA 0.179 45.189 45.100 -0.150 0.000 0.730 447 G HN 1.151 nan 8.290 nan 0.000 0.501 448 F N -0.641 119.328 119.950 0.032 0.000 2.404 448 F HA 0.688 5.215 4.527 0.000 0.000 0.339 448 F C 0.450 176.214 175.800 -0.059 0.000 1.105 448 F CA -1.246 56.756 58.000 0.003 0.000 1.087 448 F CB 1.718 40.703 39.000 -0.026 0.000 1.143 448 F HN 0.062 nan 8.300 nan 0.000 0.491 449 L N 5.351 126.668 121.223 0.157 0.000 2.265 449 L HA 0.521 4.861 4.340 0.000 0.000 0.289 449 L C -0.671 176.310 176.870 0.185 0.000 1.033 449 L CA -0.236 54.665 54.840 0.101 0.000 0.814 449 L CB 0.278 42.367 42.059 0.050 0.000 1.203 449 L HN 0.412 nan 8.230 nan 0.000 0.423 450 I N 5.111 125.706 120.570 0.040 0.000 2.321 450 I HA 0.499 4.669 4.170 0.000 0.000 0.291 450 I C 0.230 176.370 176.117 0.038 0.000 0.998 450 I CA -0.578 60.685 61.300 -0.062 0.000 1.227 450 I CB 1.570 39.292 38.000 -0.463 0.000 1.368 450 I HN 0.716 nan 8.210 nan 0.000 0.466 451 A N 6.845 129.735 122.820 0.117 0.000 2.252 451 A HA 0.477 4.798 4.320 0.000 0.000 0.309 451 A C -1.244 176.309 177.584 -0.051 0.000 1.285 451 A CA -0.230 51.779 52.037 -0.046 0.000 0.900 451 A CB 0.221 19.334 19.000 0.189 0.000 1.157 451 A HN 0.613 nan 8.150 nan 0.000 0.536 452 Y N 1.969 122.109 120.300 -0.266 0.000 2.341 452 Y HA 0.537 5.087 4.550 0.000 0.000 0.338 452 Y C -0.089 175.736 175.900 -0.125 0.000 0.965 452 Y CA -0.797 57.241 58.100 -0.102 0.000 1.108 452 Y CB 2.004 40.535 38.460 0.118 0.000 1.180 452 Y HN 0.635 nan 8.280 nan 0.000 0.458 453 Q N 8.488 127.940 119.800 -0.581 0.000 2.462 453 Q HA 0.473 4.813 4.340 0.000 0.000 0.247 453 Q C -2.908 172.676 176.000 -0.694 0.000 1.044 453 Q CA -2.825 52.671 55.803 -0.510 0.000 0.803 453 Q CB 1.153 29.672 28.738 -0.365 0.000 1.190 453 Q HN 0.324 nan 8.270 nan 0.000 0.507 454 P HA 0.055 nan 4.420 nan 0.000 0.267 454 P C -0.705 176.467 177.300 -0.213 0.000 1.205 454 P CA 0.326 63.226 63.100 -0.333 0.000 0.765 454 P CB 0.695 32.374 31.700 -0.036 0.000 0.828 455 L N 3.197 124.335 121.223 -0.142 0.000 2.343 455 L HA 0.754 5.094 4.340 0.000 0.000 0.264 455 L C -0.114 176.826 176.870 0.118 0.000 1.050 455 L CA -1.168 53.649 54.840 -0.038 0.000 0.956 455 L CB 1.052 43.030 42.059 -0.134 0.000 1.576 455 L HN 0.236 nan 8.230 nan 0.000 0.521 456 L N -0.420 120.969 121.223 0.276 0.000 2.830 456 L HA 0.221 4.561 4.340 0.000 0.000 0.259 456 L C -1.097 175.885 176.870 0.186 0.000 0.926 456 L CA -0.055 54.934 54.840 0.248 0.000 0.993 456 L CB 2.034 44.176 42.059 0.138 0.000 1.589 456 L HN 0.529 nan 8.230 nan 0.000 0.460 457 S N 1.844 117.537 115.700 -0.011 0.000 2.545 457 S HA 0.202 4.672 4.470 0.000 0.000 0.275 457 S C 1.160 175.675 174.600 -0.142 0.000 1.299 457 S CA 0.094 58.075 58.200 -0.365 0.000 1.048 457 S CB 0.831 63.820 63.200 -0.353 0.000 0.938 457 S HN 0.852 nan 8.310 nan 0.000 0.496 458 N N 4.015 122.630 118.700 -0.142 0.000 2.247 458 N HA -0.156 4.584 4.740 0.000 0.000 0.189 458 N C 1.262 176.749 175.510 -0.038 0.000 1.009 458 N CA 2.093 55.108 53.050 -0.059 0.000 0.872 458 N CB -1.302 37.155 38.487 -0.050 0.000 0.980 458 N HN 0.566 nan 8.380 nan 0.000 0.436 459 T N 0.374 114.892 114.554 -0.060 0.000 2.822 459 T HA -0.028 4.322 4.350 0.000 0.000 0.270 459 T C 1.213 175.912 174.700 -0.003 0.000 1.064 459 T CA 1.120 63.202 62.100 -0.030 0.000 1.131 459 T CB -0.204 68.642 68.868 -0.037 0.000 0.858 459 T HN 0.287 nan 8.240 nan 0.000 0.483 460 L N -0.089 121.136 121.223 0.004 0.000 3.014 460 L HA 0.485 4.825 4.340 0.000 0.000 0.263 460 L C 2.212 179.115 176.870 0.055 0.000 1.207 460 L CA -0.239 54.622 54.840 0.035 0.000 1.017 460 L CB -0.102 41.986 42.059 0.048 0.000 1.360 460 L HN 0.055 nan 8.230 nan 0.000 0.560 461 A N 0.819 123.667 122.820 0.046 0.000 2.084 461 A HA -0.258 4.062 4.320 0.000 0.000 0.221 461 A C 2.395 180.046 177.584 0.112 0.000 1.161 461 A CA 2.116 54.198 52.037 0.075 0.000 0.653 461 A CB -0.441 18.589 19.000 0.049 0.000 0.802 461 A HN 0.523 nan 8.150 nan 0.000 0.457 462 E N -0.295 119.954 120.200 0.081 0.000 2.233 462 E HA -0.115 4.235 4.350 0.000 0.000 0.199 462 E C 1.582 178.236 176.600 0.090 0.000 1.004 462 E CA 1.559 58.004 56.400 0.076 0.000 0.819 462 E CB -0.752 28.980 29.700 0.053 0.000 0.738 462 E HN 0.669 nan 8.360 nan 0.000 0.478 463 L N -0.645 120.643 121.223 0.109 0.000 2.818 463 L HA 0.246 4.586 4.340 0.000 0.000 0.243 463 L C 1.957 178.926 176.870 0.164 0.000 1.185 463 L CA -0.124 54.780 54.840 0.108 0.000 0.988 463 L CB -0.014 42.099 42.059 0.091 0.000 1.292 463 L HN 0.528 nan 8.230 nan 0.000 0.519 464 Y N 0.534 120.871 120.300 0.063 0.000 2.114 464 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 464 Y C 2.289 178.248 175.900 0.098 0.000 1.143 464 Y CA 1.623 59.773 58.100 0.083 0.000 1.135 464 Y CB 0.161 38.669 38.460 0.080 0.000 0.980 464 Y HN -0.042 nan 8.280 nan 0.000 0.499 465 V N 1.198 120.999 119.914 -0.189 0.000 2.453 465 V HA -0.344 3.776 4.120 0.000 0.000 0.252 465 V C 2.375 178.379 176.094 -0.151 0.000 1.068 465 V CA 2.279 64.407 62.300 -0.287 0.000 1.070 465 V CB -0.853 30.885 31.823 -0.141 0.000 0.664 465 V HN 0.375 nan 8.190 nan 0.000 0.461 466 R N 1.026 121.503 120.500 -0.038 0.000 2.055 466 R HA -0.047 4.293 4.340 0.000 0.000 0.226 466 R C 2.339 178.667 176.300 0.046 0.000 1.135 466 R CA 2.161 58.266 56.100 0.009 0.000 0.959 466 R CB -1.004 29.317 30.300 0.036 0.000 0.854 466 R HN 0.484 nan 8.270 nan 0.000 0.431 467 E N 0.143 120.399 120.200 0.092 0.000 2.038 467 E HA -0.273 4.077 4.350 0.000 0.000 0.195 467 E C 2.000 178.691 176.600 0.151 0.000 1.000 467 E CA 1.863 58.345 56.400 0.137 0.000 0.803 467 E CB -1.283 28.534 29.700 0.195 0.000 0.750 467 E HN 0.830 nan 8.360 nan 0.000 0.448 468 H N -0.429 118.639 119.070 -0.003 0.000 2.362 468 H HA -0.129 4.427 4.556 0.000 0.000 0.294 468 H C 2.336 177.652 175.328 -0.019 0.000 1.113 468 H CA 1.552 57.578 56.048 -0.036 0.000 1.253 468 H CB -0.017 29.564 29.762 -0.300 0.000 1.363 468 H HN 0.333 nan 8.280 nan 0.000 0.494 469 L N 0.986 122.314 121.223 0.175 0.000 1.994 469 L HA -0.176 4.164 4.340 0.000 0.000 0.208 469 L C 2.553 179.495 176.870 0.119 0.000 1.071 469 L CA 2.006 56.915 54.840 0.115 0.000 0.745 469 L CB -0.874 41.202 42.059 0.028 0.000 0.892 469 L HN 0.382 nan 8.230 nan 0.000 0.431 470 R N -0.501 120.063 120.500 0.107 0.000 2.115 470 R HA -0.146 4.194 4.340 0.000 0.000 0.230 470 R C 2.002 178.380 176.300 0.130 0.000 1.111 470 R CA 0.918 57.083 56.100 0.107 0.000 0.976 470 R CB 0.092 30.453 30.300 0.102 0.000 0.870 470 R HN 0.353 nan 8.270 nan 0.000 0.445 471 E N 0.750 121.028 120.200 0.131 0.000 2.160 471 E HA -0.226 4.124 4.350 0.000 0.000 0.195 471 E C 1.840 178.514 176.600 0.124 0.000 0.991 471 E CA 1.256 57.735 56.400 0.132 0.000 0.810 471 E CB -0.031 29.718 29.700 0.082 0.000 0.742 471 E HN 0.557 nan 8.360 nan 0.000 0.466 472 Q N 0.211 120.081 119.800 0.115 0.000 2.291 472 Q HA -0.082 4.258 4.340 0.000 0.000 0.205 472 Q C 2.199 178.261 176.000 0.103 0.000 0.970 472 Q CA 1.298 57.164 55.803 0.104 0.000 0.876 472 Q CB -0.115 28.695 28.738 0.120 0.000 0.935 472 Q HN 0.241 nan 8.270 nan 0.000 0.455 473 S N 0.840 116.608 115.700 0.114 0.000 2.399 473 S HA -0.155 4.315 4.470 0.000 0.000 0.231 473 S C 1.780 176.457 174.600 0.127 0.000 1.022 473 S CA 0.808 59.072 58.200 0.108 0.000 0.983 473 S CB -0.132 63.131 63.200 0.105 0.000 0.803 473 S HN 0.318 nan 8.310 nan 0.000 0.480 474 R N 1.776 122.380 120.500 0.174 0.000 2.119 474 R HA 0.181 4.521 4.340 0.000 0.000 0.222 474 R C 1.220 177.611 176.300 0.151 0.000 1.088 474 R CA 1.116 57.351 56.100 0.225 0.000 0.984 474 R CB -0.644 29.890 30.300 0.391 0.000 0.884 474 R HN 0.531 nan 8.270 nan 0.000 0.447 475 K N 2.883 123.346 120.400 0.104 0.000 2.484 475 K HA 0.113 4.434 4.320 0.000 0.000 0.280 475 K C -2.257 174.376 176.600 0.055 0.000 1.013 475 K CA -1.036 55.288 56.287 0.063 0.000 1.029 475 K CB -0.874 31.657 32.500 0.053 0.000 0.902 475 K HN -0.028 nan 8.250 nan 0.000 0.481 493 E N 5.665 125.884 120.200 0.031 0.000 2.476 493 E HA 0.810 5.160 4.350 0.000 0.000 0.246 493 E C -0.920 175.682 176.600 0.004 0.000 0.872 493 E CA -1.199 55.217 56.400 0.026 0.000 0.867 493 E CB 2.083 31.801 29.700 0.030 0.000 1.533 493 E HN 0.396 nan 8.360 nan 0.000 0.399 494 R N 0.083 120.563 120.500 -0.033 0.000 2.807 494 R HA 0.516 4.856 4.340 0.000 0.000 0.276 494 R C -0.846 175.413 176.300 -0.068 0.000 0.979 494 R CA -0.857 55.191 56.100 -0.087 0.000 0.928 494 R CB 1.727 31.908 30.300 -0.199 0.000 1.191 494 R HN 0.569 nan 8.270 nan 0.000 0.471 495 I N 3.269 123.788 120.570 -0.085 0.000 2.321 495 I HA 0.212 4.382 4.170 0.000 0.000 0.291 495 I C -0.030 176.011 176.117 -0.127 0.000 0.998 495 I CA -0.582 60.658 61.300 -0.101 0.000 1.227 495 I CB 1.065 38.991 38.000 -0.124 0.000 1.368 495 I HN 0.054 nan 8.210 nan 0.000 0.466 496 K N 4.652 124.978 120.400 -0.125 0.000 2.138 496 K HA 0.550 4.870 4.320 0.000 0.000 0.263 496 K C -0.525 175.964 176.600 -0.185 0.000 0.965 496 K CA -0.566 55.638 56.287 -0.139 0.000 0.868 496 K CB 1.765 34.200 32.500 -0.107 0.000 1.083 496 K HN 0.416 nan 8.250 nan 0.000 0.443 497 T N 0.938 115.357 114.554 -0.225 0.000 2.824 497 T HA 0.177 4.527 4.350 0.000 0.000 0.282 497 T C -0.092 174.458 174.700 -0.249 0.000 0.993 497 T CA -0.461 61.433 62.100 -0.342 0.000 0.967 497 T CB 1.677 70.248 68.868 -0.496 0.000 0.960 497 T HN 0.482 nan 8.240 nan 0.000 0.441 498 T N 1.413 115.844 114.554 -0.205 0.000 2.900 498 T HA 0.114 4.464 4.350 0.000 0.000 0.307 498 T C 1.402 176.067 174.700 -0.058 0.000 1.065 498 T CA -0.217 61.828 62.100 -0.092 0.000 1.105 498 T CB 0.378 69.219 68.868 -0.044 0.000 0.979 498 T HN 0.512 nan 8.240 nan 0.000 0.544 499 S N 2.180 117.865 115.700 -0.025 0.000 2.496 499 S HA 0.096 4.567 4.470 0.000 0.000 0.224 499 S C 0.866 175.502 174.600 0.060 0.000 0.996 499 S CA 0.050 58.241 58.200 -0.015 0.000 0.927 499 S CB 0.129 63.320 63.200 -0.015 0.000 0.774 499 S HN 0.651 nan 8.310 nan 0.000 0.524 500 S N 0.994 116.772 115.700 0.129 0.000 2.422 500 S HA 0.424 4.894 4.470 0.000 0.000 0.308 500 S C 0.125 174.956 174.600 0.385 0.000 1.097 500 S CA -0.598 57.720 58.200 0.196 0.000 1.099 500 S CB 0.643 63.939 63.200 0.161 0.000 0.976 500 S HN 0.205 nan 8.310 nan 0.000 0.471 501 I N 4.715 125.454 120.570 0.282 0.000 3.861 501 I HA 0.300 4.470 4.170 0.000 0.000 0.329 501 I C 1.375 177.456 176.117 -0.060 0.000 1.321 501 I CA 0.385 61.790 61.300 0.175 0.000 1.126 501 I CB -0.154 37.923 38.000 0.128 0.000 1.018 501 I HN 0.620 nan 8.210 nan 0.000 0.407 502 E N 0.369 120.626 120.200 0.095 0.000 2.208 502 E HA -0.185 4.165 4.350 0.000 0.000 0.193 502 E C 2.013 178.608 176.600 -0.009 0.000 0.988 502 E CA 1.057 57.468 56.400 0.018 0.000 0.828 502 E CB -0.544 29.195 29.700 0.064 0.000 0.763 502 E HN 0.695 nan 8.360 nan 0.000 0.478 503 F N 0.953 120.909 119.950 0.011 0.000 2.161 503 F HA -0.075 4.452 4.527 0.000 0.000 0.300 503 F C 2.242 178.033 175.800 -0.014 0.000 1.089 503 F CA 1.156 59.160 58.000 0.006 0.000 1.282 503 F CB -0.630 38.388 39.000 0.031 0.000 1.010 503 F HN -0.044 nan 8.300 nan 0.000 0.485 504 A N 1.227 123.266 122.820 -1.302 0.000 1.929 504 A HA -0.017 4.303 4.320 0.000 0.000 0.216 504 A C 2.293 179.605 177.584 -0.453 0.000 1.176 504 A CA 1.021 52.456 52.037 -1.004 0.000 0.628 504 A CB -0.642 17.500 19.000 -1.429 0.000 0.816 504 A HN 0.481 nan 8.150 nan 0.000 0.444 505 R N -0.476 119.813 120.500 -0.351 0.000 2.276 505 R HA 0.161 4.501 4.340 0.000 0.000 0.203 505 R C 1.647 177.945 176.300 -0.004 0.000 1.017 505 R CA 0.521 56.528 56.100 -0.154 0.000 1.010 505 R CB -0.307 29.901 30.300 -0.154 0.000 0.900 505 R HN 0.456 nan 8.270 nan 0.000 0.469 506 L N 0.225 121.432 121.223 -0.027 0.000 2.068 506 L HA -0.131 4.209 4.340 0.000 0.000 0.204 506 L C 2.595 179.518 176.870 0.089 0.000 1.076 506 L CA 0.977 55.838 54.840 0.035 0.000 0.753 506 L CB -0.308 41.760 42.059 0.015 0.000 0.910 506 L HN 0.083 nan 8.230 nan 0.000 0.439 507 Q N 0.340 120.169 119.800 0.049 0.000 2.045 507 Q HA -0.291 4.049 4.340 0.000 0.000 0.206 507 Q C 2.030 178.124 176.000 0.156 0.000 0.991 507 Q CA 2.239 58.096 55.803 0.091 0.000 0.851 507 Q CB -0.679 28.082 28.738 0.039 0.000 0.911 507 Q HN 0.390 nan 8.270 nan 0.000 0.418 508 F N 0.236 120.184 119.950 -0.002 0.000 2.043 508 F HA -0.287 4.240 4.527 0.000 0.000 0.297 508 F C 2.020 177.939 175.800 0.199 0.000 1.121 508 F CA 2.420 60.471 58.000 0.086 0.000 1.199 508 F CB -0.841 38.150 39.000 -0.014 0.000 0.968 508 F HN 0.107 nan 8.300 nan 0.000 0.478 509 T N -0.169 114.567 114.554 0.303 0.000 2.684 509 T HA -0.280 4.070 4.350 0.000 0.000 0.267 509 T C 1.511 176.251 174.700 0.066 0.000 1.036 509 T CA 1.786 63.982 62.100 0.160 0.000 1.148 509 T CB -0.952 68.028 68.868 0.185 0.000 0.863 509 T HN 0.545 nan 8.240 nan 0.000 0.436 510 Y N 2.481 122.777 120.300 -0.006 0.000 2.014 510 Y HA -0.310 4.240 4.550 0.000 0.000 0.270 510 Y C 2.180 178.041 175.900 -0.065 0.000 1.145 510 Y CA 1.981 60.066 58.100 -0.024 0.000 1.106 510 Y CB -0.742 37.712 38.460 -0.011 0.000 0.968 510 Y HN 0.302 nan 8.280 nan 0.000 0.484 511 N N -1.008 117.671 118.700 -0.035 0.000 2.058 511 N HA -0.334 4.406 4.740 0.000 0.000 0.200 511 N C 1.450 176.738 175.510 -0.370 0.000 1.033 511 N CA 1.969 54.879 53.050 -0.234 0.000 0.880 511 N CB -0.663 37.670 38.487 -0.257 0.000 1.069 511 N HN 0.486 nan 8.380 nan 0.000 0.461 512 H N 0.039 118.898 119.070 -0.351 0.000 2.457 512 H HA -0.003 4.553 4.556 0.000 0.000 0.297 512 H C 1.895 177.092 175.328 -0.218 0.000 1.092 512 H CA 1.042 56.891 56.048 -0.332 0.000 1.309 512 H CB -0.038 29.427 29.762 -0.496 0.000 1.382 512 H HN 0.309 nan 8.280 nan 0.000 0.535 513 I N -0.114 120.379 120.570 -0.129 0.000 2.400 513 I HA -0.198 3.972 4.170 0.000 0.000 0.248 513 I C 2.553 178.572 176.117 -0.162 0.000 1.109 513 I CA 0.844 62.079 61.300 -0.108 0.000 1.425 513 I CB -0.304 37.630 38.000 -0.109 0.000 1.094 513 I HN 0.334 nan 8.210 nan 0.000 0.425 514 Q N 1.819 121.407 119.800 -0.353 0.000 1.985 514 Q HA -0.300 4.040 4.340 0.000 0.000 0.207 514 Q C 2.389 178.272 176.000 -0.196 0.000 0.996 514 Q CA 2.020 57.609 55.803 -0.358 0.000 0.851 514 Q CB -0.186 28.224 28.738 -0.546 0.000 0.921 514 Q HN 0.275 nan 8.270 nan 0.000 0.418 515 R N -0.992 119.393 120.500 -0.191 0.000 2.133 515 R HA -0.301 4.040 4.340 0.000 0.000 0.245 515 R C 2.436 178.697 176.300 -0.065 0.000 1.137 515 R CA 2.340 58.361 56.100 -0.132 0.000 0.947 515 R CB -0.527 29.674 30.300 -0.166 0.000 0.865 515 R HN 0.522 nan 8.270 nan 0.000 0.437 516 H N -0.493 118.503 119.070 -0.125 0.000 2.293 516 H HA -0.069 4.487 4.556 0.000 0.000 0.300 516 H C 1.943 177.222 175.328 -0.082 0.000 1.082 516 H CA 2.113 58.108 56.048 -0.087 0.000 1.308 516 H CB -0.315 29.402 29.762 -0.075 0.000 1.375 516 H HN 0.038 nan 8.280 nan 0.000 0.495 517 V N 1.055 120.910 119.914 -0.099 0.000 2.287 517 V HA -0.304 3.816 4.120 0.000 0.000 0.248 517 V C 2.111 178.113 176.094 -0.154 0.000 1.053 517 V CA 2.144 64.358 62.300 -0.143 0.000 1.027 517 V CB -0.522 31.253 31.823 -0.080 0.000 0.646 517 V HN 0.561 nan 8.190 nan 0.000 0.447 518 N N -0.128 118.496 118.700 -0.126 0.000 2.166 518 N HA -0.177 4.563 4.740 0.000 0.000 0.186 518 N C 1.730 177.172 175.510 -0.113 0.000 1.019 518 N CA 1.551 54.538 53.050 -0.104 0.000 0.856 518 N CB -0.552 37.882 38.487 -0.087 0.000 0.993 518 N HN 0.549 nan 8.380 nan 0.000 0.426 519 D N 0.203 120.521 120.400 -0.137 0.000 2.087 519 D HA -0.139 4.501 4.640 0.000 0.000 0.192 519 D C 1.761 177.971 176.300 -0.150 0.000 0.993 519 D CA 1.112 55.034 54.000 -0.131 0.000 0.828 519 D CB 0.241 40.963 40.800 -0.131 0.000 0.968 519 D HN 0.047 nan 8.370 nan 0.000 0.448 520 M N 0.559 120.015 119.600 -0.239 0.000 2.062 520 M HA -0.093 4.387 4.480 0.000 0.000 0.259 520 M C 2.689 178.911 176.300 -0.130 0.000 1.076 520 M CA 0.838 56.015 55.300 -0.204 0.000 1.122 520 M CB -1.458 30.963 32.600 -0.299 0.000 1.312 520 M HN 0.091 nan 8.290 nan 0.000 0.412 521 L N -0.087 121.057 121.223 -0.131 0.000 2.351 521 L HA -0.190 4.150 4.340 0.000 0.000 0.220 521 L C 2.465 179.290 176.870 -0.075 0.000 1.127 521 L CA 1.019 55.800 54.840 -0.098 0.000 0.786 521 L CB -1.329 40.671 42.059 -0.099 0.000 0.914 521 L HN 0.457 nan 8.230 nan 0.000 0.443 522 G N 0.056 108.812 108.800 -0.073 0.000 2.414 522 G HA2 -0.218 3.742 3.960 0.000 0.000 0.215 522 G HA3 -0.218 3.742 3.960 0.000 0.000 0.215 522 G C 1.719 176.601 174.900 -0.030 0.000 1.188 522 G CA 0.364 45.435 45.100 -0.048 0.000 0.783 522 G HN 0.314 nan 8.290 nan 0.000 0.537 523 R N -0.111 120.367 120.500 -0.036 0.000 2.081 523 R HA -0.014 4.326 4.340 0.000 0.000 0.235 523 R C 2.593 178.895 176.300 0.003 0.000 1.131 523 R CA 1.105 57.195 56.100 -0.017 0.000 0.960 523 R CB -0.781 29.503 30.300 -0.026 0.000 0.856 523 R HN 0.260 nan 8.270 nan 0.000 0.436 524 V N 1.488 121.396 119.914 -0.010 0.000 2.453 524 V HA -0.265 3.855 4.120 0.000 0.000 0.252 524 V C 2.395 178.518 176.094 0.048 0.000 1.068 524 V CA 1.955 64.262 62.300 0.013 0.000 1.070 524 V CB -0.681 31.120 31.823 -0.035 0.000 0.664 524 V HN 0.433 nan 8.190 nan 0.000 0.461 525 A N -0.794 122.036 122.820 0.017 0.000 2.067 525 A HA -0.038 4.282 4.320 0.000 0.000 0.219 525 A C 2.104 179.753 177.584 0.109 0.000 1.158 525 A CA 1.401 53.463 52.037 0.042 0.000 0.661 525 A CB -0.315 18.686 19.000 0.003 0.000 0.801 525 A HN 0.560 nan 8.150 nan 0.000 0.452 526 I N -1.283 119.336 120.570 0.081 0.000 2.685 526 I HA -0.020 4.150 4.170 0.000 0.000 0.251 526 I C 2.839 179.002 176.117 0.077 0.000 1.102 526 I CA 0.746 62.088 61.300 0.070 0.000 1.442 526 I CB -0.382 37.638 38.000 0.034 0.000 1.194 526 I HN 0.250 nan 8.210 nan 0.000 0.448 527 A N 1.033 123.896 122.820 0.072 0.000 1.978 527 A HA -0.261 4.059 4.320 0.000 0.000 0.220 527 A C 2.236 179.872 177.584 0.087 0.000 1.170 527 A CA 1.395 53.461 52.037 0.049 0.000 0.636 527 A CB -1.106 17.922 19.000 0.046 0.000 0.810 527 A HN 0.756 nan 8.150 nan 0.000 0.448 528 W N -0.507 120.776 121.300 -0.030 0.000 2.436 528 W HA -0.159 4.501 4.660 0.000 0.000 0.284 528 W C 2.200 178.711 176.519 -0.013 0.000 1.225 528 W CA 1.288 58.620 57.345 -0.020 0.000 1.271 528 W CB -0.382 29.067 29.460 -0.019 0.000 1.114 528 W HN 0.434 nan 8.180 nan 0.000 0.559 529 c N 1.393 120.067 118.600 0.124 0.000 2.486 529 c HA -0.070 4.500 4.570 0.000 0.000 0.279 529 c C 2.438 176.507 174.090 -0.035 0.000 1.302 529 c CA 1.473 57.824 56.329 0.037 0.000 1.720 529 c CB -0.961 41.599 42.510 0.084 0.000 2.030 529 c HN 0.322 nan 8.230 nan 0.000 0.490 530 E N 0.079 120.261 120.200 -0.031 0.000 2.153 530 E HA -0.215 4.135 4.350 0.000 0.000 0.194 530 E C 1.865 178.407 176.600 -0.096 0.000 0.988 530 E CA 1.095 57.464 56.400 -0.052 0.000 0.811 530 E CB -0.196 29.442 29.700 -0.103 0.000 0.746 530 E HN 0.574 nan 8.360 nan 0.000 0.466 531 L N 0.990 122.113 121.223 -0.166 0.000 2.044 531 L HA -0.182 4.158 4.340 0.000 0.000 0.205 531 L C 2.102 178.870 176.870 -0.170 0.000 1.075 531 L CA 1.587 56.311 54.840 -0.194 0.000 0.747 531 L CB -0.205 41.675 42.059 -0.298 0.000 0.903 531 L HN -0.028 nan 8.230 nan 0.000 0.435 532 Q N -0.126 119.504 119.800 -0.285 0.000 2.152 532 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 532 Q C 2.011 177.965 176.000 -0.076 0.000 0.985 532 Q CA 1.619 57.291 55.803 -0.219 0.000 0.863 532 Q CB -0.854 27.734 28.738 -0.250 0.000 0.904 532 Q HN 0.560 nan 8.270 nan 0.000 0.422 533 N N -0.301 118.386 118.700 -0.022 0.000 2.216 533 N HA -0.092 4.648 4.740 0.000 0.000 0.183 533 N C 1.650 177.212 175.510 0.087 0.000 1.017 533 N CA 0.845 53.917 53.050 0.038 0.000 0.861 533 N CB -0.347 38.179 38.487 0.065 0.000 0.986 533 N HN 0.475 nan 8.380 nan 0.000 0.428 534 H N 0.283 119.329 119.070 -0.041 0.000 2.395 534 H HA -0.029 4.527 4.556 0.000 0.000 0.299 534 H C 2.011 177.333 175.328 -0.010 0.000 1.070 534 H CA 1.484 57.516 56.048 -0.026 0.000 1.356 534 H CB 0.389 30.128 29.762 -0.038 0.000 1.401 534 H HN 0.466 nan 8.280 nan 0.000 0.524 535 E N 1.663 121.931 120.200 0.114 0.000 2.077 535 E HA -0.148 4.202 4.350 0.000 0.000 0.193 535 E C 2.144 178.884 176.600 0.232 0.000 0.989 535 E CA 1.086 57.564 56.400 0.130 0.000 0.800 535 E CB -0.806 28.999 29.700 0.176 0.000 0.746 535 E HN 0.231 nan 8.360 nan 0.000 0.452 536 L N 1.224 122.552 121.223 0.176 0.000 2.051 536 L HA -0.169 4.171 4.340 0.000 0.000 0.214 536 L C 2.542 179.499 176.870 0.145 0.000 1.076 536 L CA 2.973 57.898 54.840 0.141 0.000 0.758 536 L CB -1.024 41.048 42.059 0.021 0.000 0.890 536 L HN 0.376 nan 8.230 nan 0.000 0.433 537 T N -0.233 114.359 114.554 0.063 0.000 2.803 537 T HA -0.168 4.182 4.350 0.000 0.000 0.269 537 T C 1.899 176.615 174.700 0.026 0.000 1.052 537 T CA 1.784 63.899 62.100 0.025 0.000 1.136 537 T CB -0.220 68.615 68.868 -0.056 0.000 0.864 537 T HN 0.346 nan 8.240 nan 0.000 0.467 538 L N -1.438 119.781 121.223 -0.007 0.000 2.068 538 L HA 0.044 4.384 4.340 0.000 0.000 0.204 538 L C 2.380 179.201 176.870 -0.080 0.000 1.076 538 L CA 1.075 55.858 54.840 -0.094 0.000 0.753 538 L CB -0.617 41.314 42.059 -0.214 0.000 0.910 538 L HN 0.340 nan 8.230 nan 0.000 0.439 539 W N 1.034 122.317 121.300 -0.029 0.000 2.331 539 W HA -0.203 4.457 4.660 0.000 0.000 0.291 539 W C 2.500 179.107 176.519 0.147 0.000 1.214 539 W CA 0.753 58.091 57.345 -0.012 0.000 1.228 539 W CB -0.556 28.772 29.460 -0.220 0.000 1.135 539 W HN 0.213 nan 8.180 nan 0.000 0.537 540 N N 0.389 119.291 118.700 0.337 0.000 2.043 540 N HA -0.176 4.565 4.740 0.000 0.000 0.193 540 N C 1.502 177.120 175.510 0.179 0.000 1.037 540 N CA 1.763 54.988 53.050 0.292 0.000 0.851 540 N CB -0.718 37.881 38.487 0.188 0.000 1.027 540 N HN 0.194 nan 8.380 nan 0.000 0.422 541 E N 0.734 120.995 120.200 0.100 0.000 2.208 541 E HA 0.013 4.363 4.350 0.000 0.000 0.193 541 E C 1.813 178.447 176.600 0.057 0.000 0.988 541 E CA 0.550 56.983 56.400 0.054 0.000 0.828 541 E CB -0.358 29.348 29.700 0.011 0.000 0.763 541 E HN 0.342 nan 8.360 nan 0.000 0.478 542 A N 2.308 125.168 122.820 0.068 0.000 1.969 542 A HA -0.191 4.129 4.320 0.000 0.000 0.218 542 A C 2.217 179.882 177.584 0.136 0.000 1.169 542 A CA 1.483 53.552 52.037 0.054 0.000 0.635 542 A CB -0.505 18.474 19.000 -0.034 0.000 0.810 542 A HN 0.299 nan 8.150 nan 0.000 0.445 543 R N -0.053 120.572 120.500 0.209 0.000 2.115 543 R HA -0.034 4.306 4.340 0.000 0.000 0.230 543 R C 1.729 178.085 176.300 0.093 0.000 1.111 543 R CA 1.480 57.691 56.100 0.184 0.000 0.976 543 R CB -0.432 29.976 30.300 0.180 0.000 0.870 543 R HN 0.376 nan 8.270 nan 0.000 0.445 544 K N 0.917 121.360 120.400 0.072 0.000 2.147 544 K HA -0.024 4.296 4.320 0.000 0.000 0.205 544 K C 2.051 178.675 176.600 0.039 0.000 1.049 544 K CA 1.390 57.703 56.287 0.043 0.000 0.936 544 K CB -0.055 32.465 32.500 0.034 0.000 0.722 544 K HN 0.261 nan 8.250 nan 0.000 0.446 545 L N -0.394 120.855 121.223 0.044 0.000 2.298 545 L HA 0.044 4.384 4.340 0.000 0.000 0.209 545 L C 1.149 178.045 176.870 0.044 0.000 1.084 545 L CA 0.416 55.277 54.840 0.036 0.000 0.816 545 L CB 0.025 42.099 42.059 0.025 0.000 0.967 545 L HN 0.120 nan 8.230 nan 0.000 0.460 546 N N -0.558 118.177 118.700 0.058 0.000 2.646 546 N HA 0.125 4.866 4.740 0.000 0.000 0.296 546 N C -1.958 173.600 175.510 0.080 0.000 1.886 546 N CA -1.444 51.645 53.050 0.064 0.000 0.855 546 N CB 0.616 39.141 38.487 0.063 0.000 1.336 546 N HN -0.124 nan 8.380 nan 0.000 0.496 547 P HA -0.210 nan 4.420 nan 0.000 0.216 547 P C 0.945 178.289 177.300 0.074 0.000 1.167 547 P CA 1.545 64.689 63.100 0.072 0.000 0.933 547 P CB 0.330 32.055 31.700 0.042 0.000 0.793 548 N N 0.069 118.803 118.700 0.057 0.000 2.037 548 N HA -0.181 4.559 4.740 0.000 0.000 0.196 548 N C 1.993 177.536 175.510 0.054 0.000 1.034 548 N CA 2.060 55.139 53.050 0.047 0.000 0.861 548 N CB -1.357 37.155 38.487 0.042 0.000 1.039 548 N HN 0.200 nan 8.380 nan 0.000 0.427 549 A N 0.526 123.388 122.820 0.069 0.000 1.858 549 A HA -0.088 4.232 4.320 0.000 0.000 0.216 549 A C 2.207 179.867 177.584 0.127 0.000 1.190 549 A CA 1.237 53.323 52.037 0.081 0.000 0.617 549 A CB -0.750 18.300 19.000 0.083 0.000 0.827 549 A HN 0.144 nan 8.150 nan 0.000 0.443 550 I N 0.248 120.922 120.570 0.174 0.000 2.163 550 I HA -0.235 3.935 4.170 0.000 0.000 0.243 550 I C 2.910 179.160 176.117 0.221 0.000 1.085 550 I CA 1.381 62.853 61.300 0.287 0.000 1.347 550 I CB -0.736 37.474 38.000 0.351 0.000 1.044 550 I HN 0.326 nan 8.210 nan 0.000 0.408 551 A N -0.639 122.274 122.820 0.155 0.000 1.902 551 A HA -0.209 4.111 4.320 0.000 0.000 0.217 551 A C 2.503 180.122 177.584 0.059 0.000 1.181 551 A CA 2.253 54.355 52.037 0.107 0.000 0.623 551 A CB -1.012 18.025 19.000 0.061 0.000 0.818 551 A HN 0.420 nan 8.150 nan 0.000 0.443 552 S N -0.803 114.921 115.700 0.039 0.000 2.353 552 S HA -0.176 4.294 4.470 0.000 0.000 0.222 552 S C 1.945 176.542 174.600 -0.005 0.000 1.035 552 S CA 1.410 59.607 58.200 -0.004 0.000 1.025 552 S CB -0.803 62.377 63.200 -0.033 0.000 0.902 552 S HN 0.462 nan 8.310 nan 0.000 0.440 553 V N 1.729 121.658 119.914 0.025 0.000 2.392 553 V HA -0.208 3.912 4.120 0.000 0.000 0.249 553 V C 2.218 178.282 176.094 -0.049 0.000 1.059 553 V CA 2.396 64.705 62.300 0.015 0.000 1.051 553 V CB -1.097 30.781 31.823 0.092 0.000 0.658 553 V HN 0.556 nan 8.190 nan 0.000 0.455 554 T N 0.120 114.630 114.554 -0.074 0.000 2.708 554 T HA -0.113 4.237 4.350 0.000 0.000 0.266 554 T C 1.422 176.074 174.700 -0.081 0.000 1.037 554 T CA 1.871 63.884 62.100 -0.145 0.000 1.146 554 T CB -0.217 68.593 68.868 -0.096 0.000 0.865 554 T HN 0.404 nan 8.240 nan 0.000 0.435 555 V N 1.062 120.956 119.914 -0.034 0.000 3.415 555 V HA 0.353 4.473 4.120 0.000 0.000 0.325 555 V C 1.659 177.735 176.094 -0.030 0.000 1.313 555 V CA 0.128 62.413 62.300 -0.026 0.000 1.228 555 V CB -1.057 30.761 31.823 -0.009 0.000 1.131 555 V HN 0.652 nan 8.190 nan 0.000 0.433 556 G N 2.568 111.345 108.800 -0.037 0.000 2.416 556 G HA2 -0.302 3.658 3.960 0.000 0.000 0.301 556 G HA3 -0.302 3.658 3.960 0.000 0.000 0.301 556 G C 0.285 175.163 174.900 -0.037 0.000 0.985 556 G CA 1.051 46.131 45.100 -0.033 0.000 0.934 556 G HN 0.901 nan 8.290 nan 0.000 0.513 557 R N -2.306 118.165 120.500 -0.048 0.000 2.604 557 R HA 0.567 4.907 4.340 0.000 0.000 0.261 557 R C -0.421 175.813 176.300 -0.109 0.000 1.080 557 R CA -1.297 54.760 56.100 -0.072 0.000 0.917 557 R CB 1.059 31.334 30.300 -0.042 0.000 1.252 557 R HN -0.027 nan 8.270 nan 0.000 0.456 558 R N 1.954 122.324 120.500 -0.217 0.000 2.421 558 R HA 0.212 4.552 4.340 0.000 0.000 0.305 558 R C -0.091 176.120 176.300 -0.149 0.000 1.039 558 R CA 0.110 56.038 56.100 -0.287 0.000 1.003 558 R CB 0.804 30.663 30.300 -0.735 0.000 0.959 558 R HN 0.562 nan 8.270 nan 0.000 0.427 559 V N -0.704 119.165 119.914 -0.076 0.000 3.147 559 V HA 0.587 4.707 4.120 0.000 0.000 0.306 559 V C -0.221 175.874 176.094 0.003 0.000 1.209 559 V CA -1.124 61.164 62.300 -0.019 0.000 1.023 559 V CB 2.256 34.074 31.823 -0.007 0.000 1.059 559 V HN 0.702 nan 8.190 nan 0.000 0.435 560 S N 2.071 117.785 115.700 0.023 0.000 2.499 560 S HA 0.913 5.383 4.470 0.000 0.000 0.279 560 S C -0.111 174.504 174.600 0.024 0.000 1.219 560 S CA 0.145 58.363 58.200 0.031 0.000 1.062 560 S CB 0.992 64.219 63.200 0.044 0.000 0.978 560 S HN 2.332 nan 8.310 nan 0.000 0.489 561 A N 2.171 125.006 122.820 0.024 0.000 2.469 561 A HA 1.064 5.384 4.320 0.000 0.000 0.299 561 A C 0.026 177.619 177.584 0.014 0.000 1.098 561 A CA -0.712 51.334 52.037 0.016 0.000 0.737 561 A CB 1.426 20.436 19.000 0.016 0.000 1.312 561 A HN 1.693 nan 8.150 nan 0.000 0.414 562 R N 0.792 121.293 120.500 0.001 0.000 2.734 562 R HA 0.792 5.132 4.340 0.000 0.000 0.271 562 R C -1.351 174.937 176.300 -0.018 0.000 1.021 562 R CA -0.619 55.480 56.100 -0.001 0.000 0.893 562 R CB 1.003 31.306 30.300 0.004 0.000 1.244 562 R HN 0.780 nan 8.270 nan 0.000 0.464 563 M N 2.622 122.211 119.600 -0.019 0.000 2.180 563 M HA 0.468 4.948 4.480 0.000 0.000 0.350 563 M C -0.672 175.613 176.300 -0.026 0.000 1.125 563 M CA -0.703 54.577 55.300 -0.034 0.000 1.031 563 M CB 1.237 33.818 32.600 -0.032 0.000 1.623 563 M HN 0.579 nan 8.290 nan 0.000 0.451 564 L N 3.726 124.929 121.223 -0.033 0.000 2.556 564 L HA 0.408 4.748 4.340 0.000 0.000 0.245 564 L C 1.064 177.919 176.870 -0.026 0.000 1.174 564 L CA -0.270 54.555 54.840 -0.025 0.000 1.117 564 L CB -0.394 41.651 42.059 -0.023 0.000 1.409 564 L HN 1.085 nan 8.230 nan 0.000 0.411 565 G N 1.375 110.161 108.800 -0.022 0.000 2.728 565 G HA2 -0.300 3.660 3.960 0.000 0.000 0.269 565 G HA3 -0.300 3.660 3.960 0.000 0.000 0.269 565 G C 0.400 175.284 174.900 -0.027 0.000 1.334 565 G CA 0.282 45.370 45.100 -0.020 0.000 0.974 565 G HN 0.439 nan 8.290 nan 0.000 0.550 566 D N 0.151 120.533 120.400 -0.031 0.000 2.388 566 D HA 0.353 4.994 4.640 0.000 0.000 0.208 566 D C 1.598 177.858 176.300 -0.066 0.000 1.035 566 D CA 0.756 54.733 54.000 -0.037 0.000 0.875 566 D CB 0.549 41.335 40.800 -0.024 0.000 0.984 566 D HN 0.396 nan 8.370 nan 0.000 0.508 567 V N 0.410 120.283 119.914 -0.067 0.000 3.709 567 V HA 0.421 4.541 4.120 0.000 0.000 0.276 567 V C -0.292 175.733 176.094 -0.115 0.000 0.967 567 V CA -0.436 61.806 62.300 -0.095 0.000 0.944 567 V CB 1.743 33.526 31.823 -0.067 0.000 1.243 567 V HN 0.025 nan 8.190 nan 0.000 0.413 568 M N 1.331 120.854 119.600 -0.127 0.000 2.322 568 M HA 0.690 5.170 4.480 0.000 0.000 0.286 568 M C -1.090 175.162 176.300 -0.080 0.000 1.111 568 M CA -0.567 54.661 55.300 -0.119 0.000 0.941 568 M CB 1.701 34.185 32.600 -0.193 0.000 1.671 568 M HN 0.761 nan 8.290 nan 0.000 0.470 569 A N 3.385 126.175 122.820 -0.051 0.000 2.295 569 A HA 0.854 5.174 4.320 0.000 0.000 0.318 569 A C -0.909 176.662 177.584 -0.023 0.000 1.134 569 A CA -0.519 51.499 52.037 -0.031 0.000 0.827 569 A CB 1.023 20.011 19.000 -0.019 0.000 1.136 569 A HN 1.159 nan 8.150 nan 0.000 0.493 570 V N -1.151 118.755 119.914 -0.013 0.000 2.851 570 V HA 0.852 4.972 4.120 0.000 0.000 0.307 570 V C -0.463 175.633 176.094 0.004 0.000 1.129 570 V CA -0.453 61.845 62.300 -0.004 0.000 0.932 570 V CB 1.336 33.155 31.823 -0.006 0.000 1.024 570 V HN 0.824 nan 8.190 nan 0.000 0.426 571 S N 1.711 117.418 115.700 0.011 0.000 2.541 571 S HA 0.705 5.175 4.470 0.000 0.000 0.280 571 S C -0.043 174.571 174.600 0.023 0.000 1.112 571 S CA -0.612 57.599 58.200 0.017 0.000 0.925 571 S CB 2.128 65.341 63.200 0.022 0.000 1.067 571 S HN 1.006 nan 8.310 nan 0.000 0.479 572 T N 1.828 116.398 114.554 0.026 0.000 2.856 572 T HA 0.254 4.604 4.350 0.000 0.000 0.306 572 T C 0.349 175.085 174.700 0.059 0.000 1.062 572 T CA -0.272 61.848 62.100 0.033 0.000 1.083 572 T CB 0.078 68.968 68.868 0.036 0.000 0.984 572 T HN 0.639 nan 8.240 nan 0.000 0.542 573 c N 1.597 120.243 118.600 0.076 0.000 2.325 573 c HA 0.655 5.225 4.570 0.000 0.000 0.370 573 c C 0.420 174.635 174.090 0.208 0.000 1.217 573 c CA -0.703 55.711 56.329 0.141 0.000 2.254 573 c CB 0.863 43.467 42.510 0.157 0.000 2.282 573 c HN 0.636 nan 8.230 nan 0.000 0.564 574 V N 3.253 123.307 119.914 0.233 0.000 2.417 574 V HA 0.343 4.463 4.120 0.000 0.000 0.291 574 V C -2.224 173.974 176.094 0.174 0.000 1.024 574 V CA -1.324 61.104 62.300 0.214 0.000 0.861 574 V CB 1.659 33.604 31.823 0.205 0.000 0.985 574 V HN 0.749 nan 8.190 nan 0.000 0.436 575 P HA 0.288 nan 4.420 nan 0.000 0.271 575 P C -1.100 176.137 177.300 -0.105 0.000 1.218 575 P CA -0.059 62.908 63.100 -0.223 0.000 0.780 575 P CB 0.765 32.386 31.700 -0.132 0.000 0.901 576 V N 1.707 121.514 119.914 -0.178 0.000 2.612 576 V HA 0.501 4.621 4.120 0.000 0.000 0.301 576 V C 0.081 176.177 176.094 0.004 0.000 1.059 576 V CA -1.106 61.152 62.300 -0.070 0.000 0.886 576 V CB 1.565 33.280 31.823 -0.179 0.000 1.007 576 V HN 0.687 nan 8.190 nan 0.000 0.426 577 A N 3.354 126.183 122.820 0.016 0.000 2.531 577 A HA 0.580 4.900 4.320 0.000 0.000 0.236 577 A C 1.619 179.268 177.584 0.108 0.000 1.062 577 A CA 0.613 52.678 52.037 0.047 0.000 0.760 577 A CB 0.478 19.494 19.000 0.026 0.000 0.995 577 A HN 1.602 nan 8.150 nan 0.000 0.501 578 A N 2.025 124.954 122.820 0.182 0.000 1.908 578 A HA -0.200 4.120 4.320 0.000 0.000 0.218 578 A C 1.582 179.197 177.584 0.051 0.000 1.181 578 A CA 2.201 54.383 52.037 0.241 0.000 0.627 578 A CB -0.870 18.268 19.000 0.232 0.000 0.818 578 A HN 0.994 nan 8.150 nan 0.000 0.445 579 D N 0.096 120.521 120.400 0.042 0.000 2.265 579 D HA -0.154 4.486 4.640 0.000 0.000 0.208 579 D C 0.839 177.147 176.300 0.013 0.000 0.977 579 D CA 1.248 55.263 54.000 0.026 0.000 0.871 579 D CB -0.667 40.148 40.800 0.024 0.000 0.925 579 D HN 0.372 nan 8.370 nan 0.000 0.485 580 N N -0.207 118.495 118.700 0.004 0.000 2.313 580 N HA 0.108 4.849 4.740 0.000 0.000 0.207 580 N C -0.796 174.705 175.510 -0.015 0.000 1.141 580 N CA 0.072 53.123 53.050 0.002 0.000 0.830 580 N CB 1.206 39.703 38.487 0.016 0.000 1.008 580 N HN 0.127 nan 8.380 nan 0.000 0.481 581 V N 1.085 120.962 119.914 -0.062 0.000 2.777 581 V HA 0.529 4.649 4.120 0.000 0.000 0.306 581 V C -0.348 175.750 176.094 0.006 0.000 1.112 581 V CA -0.706 61.532 62.300 -0.102 0.000 0.917 581 V CB 2.747 34.291 31.823 -0.466 0.000 1.018 581 V HN -0.111 nan 8.190 nan 0.000 0.426 582 I N 3.136 123.736 120.570 0.050 0.000 2.913 582 I HA 0.531 4.701 4.170 0.000 0.000 0.302 582 I C -0.828 175.305 176.117 0.027 0.000 1.246 582 I CA -1.024 60.339 61.300 0.105 0.000 1.010 582 I CB 2.736 40.772 38.000 0.060 0.000 1.259 582 I HN 0.312 nan 8.210 nan 0.000 0.434 583 V N 2.832 122.738 119.914 -0.013 0.000 2.743 583 V HA 0.499 4.619 4.120 0.000 0.000 0.301 583 V C 0.561 176.626 176.094 -0.049 0.000 1.057 583 V CA -0.423 61.828 62.300 -0.082 0.000 1.006 583 V CB 1.327 33.063 31.823 -0.145 0.000 1.024 583 V HN 0.869 nan 8.190 nan 0.000 0.473 584 Q N 1.421 121.200 119.800 -0.035 0.000 2.261 584 Q HA 0.274 4.614 4.340 0.000 0.000 0.252 584 Q C 0.572 176.618 176.000 0.077 0.000 0.915 584 Q CA -0.213 55.577 55.803 -0.022 0.000 0.915 584 Q CB -0.064 28.646 28.738 -0.047 0.000 1.204 584 Q HN 0.890 nan 8.270 nan 0.000 0.421 585 N N 0.332 119.045 118.700 0.022 0.000 2.309 585 N HA -0.015 4.725 4.740 0.000 0.000 0.182 585 N C 0.623 176.269 175.510 0.227 0.000 1.018 585 N CA 1.123 54.216 53.050 0.072 0.000 0.876 585 N CB 0.382 38.830 38.487 -0.065 0.000 0.972 585 N HN 0.518 nan 8.380 nan 0.000 0.434 586 S N -0.477 115.326 115.700 0.172 0.000 2.508 586 S HA 0.405 4.875 4.470 0.000 0.000 0.284 586 S C 0.489 175.221 174.600 0.221 0.000 1.192 586 S CA -0.572 57.744 58.200 0.193 0.000 1.070 586 S CB 0.655 63.928 63.200 0.122 0.000 1.004 586 S HN 0.097 nan 8.310 nan 0.000 0.493 587 M N 3.290 123.062 119.600 0.287 0.000 2.306 587 M HA 0.197 4.677 4.480 0.000 0.000 0.292 587 M C 0.150 176.696 176.300 0.409 0.000 1.018 587 M CA -0.082 55.396 55.300 0.297 0.000 1.007 587 M CB 0.411 33.146 32.600 0.226 0.000 1.510 587 M HN 0.592 nan 8.290 nan 0.000 0.537 588 R N 0.829 121.498 120.500 0.281 0.000 2.407 588 R HA 0.615 4.955 4.340 0.000 0.000 0.303 588 R C -0.717 175.655 176.300 0.121 0.000 0.981 588 R CA -0.571 55.614 56.100 0.141 0.000 0.905 588 R CB 1.149 31.478 30.300 0.048 0.000 1.099 588 R HN 0.098 nan 8.270 nan 0.000 0.459 589 I N 2.542 123.118 120.570 0.010 0.000 2.452 589 I HA -0.046 4.125 4.170 0.000 0.000 0.287 589 I C 1.413 177.528 176.117 -0.003 0.000 1.079 589 I CA 0.055 61.353 61.300 -0.004 0.000 1.387 589 I CB 1.663 39.575 38.000 -0.147 0.000 1.404 589 I HN 0.879 nan 8.210 nan 0.000 0.522 590 S N 3.695 119.411 115.700 0.027 0.000 2.368 590 S HA -0.170 4.300 4.470 0.000 0.000 0.224 590 S C 2.139 176.736 174.600 -0.005 0.000 1.029 590 S CA 1.938 60.145 58.200 0.012 0.000 0.988 590 S CB 0.038 63.251 63.200 0.022 0.000 0.838 590 S HN 0.793 nan 8.310 nan 0.000 0.462 591 S N 0.880 116.577 115.700 -0.004 0.000 2.351 591 S HA -0.055 4.415 4.470 0.000 0.000 0.220 591 S C 1.248 175.830 174.600 -0.029 0.000 1.035 591 S CA 1.474 59.666 58.200 -0.014 0.000 1.031 591 S CB -0.566 62.628 63.200 -0.011 0.000 0.928 591 S HN 0.733 nan 8.310 nan 0.000 0.433 592 R N 2.361 122.832 120.500 -0.048 0.000 2.230 592 R HA 0.474 4.814 4.340 0.000 0.000 0.337 592 R C -2.799 173.461 176.300 -0.066 0.000 1.063 592 R CA -1.982 54.081 56.100 -0.061 0.000 0.935 592 R CB -0.296 29.954 30.300 -0.083 0.000 1.121 592 R HN 0.540 nan 8.270 nan 0.000 0.486 593 P HA 0.199 nan 4.420 nan 0.000 0.237 593 P C 0.497 177.759 177.300 -0.064 0.000 1.788 593 P CA 0.933 64.001 63.100 -0.053 0.000 1.061 593 P CB 0.343 32.021 31.700 -0.038 0.000 1.967 594 G N 0.919 109.667 108.800 -0.087 0.000 3.827 594 G HA2 0.168 4.128 3.960 0.000 0.000 0.218 594 G HA3 0.168 4.128 3.960 0.000 0.000 0.218 594 G C -0.133 174.698 174.900 -0.114 0.000 0.892 594 G CA 0.258 45.303 45.100 -0.093 0.000 0.857 594 G HN 0.666 nan 8.290 nan 0.000 0.508 595 A N -0.208 122.539 122.820 -0.121 0.000 2.317 595 A HA 0.813 5.134 4.320 0.000 0.000 0.327 595 A C -0.221 177.249 177.584 -0.190 0.000 1.178 595 A CA -0.093 51.859 52.037 -0.142 0.000 0.817 595 A CB 1.365 20.285 19.000 -0.132 0.000 1.189 595 A HN 0.846 nan 8.150 nan 0.000 0.489 596 c N -0.275 118.211 118.600 -0.191 0.000 3.285 596 c HA 0.603 5.174 4.570 0.000 0.000 0.320 596 c C -0.896 173.117 174.090 -0.129 0.000 1.411 596 c CA -0.834 55.393 56.329 -0.170 0.000 1.429 596 c CB 1.008 43.431 42.510 -0.145 0.000 1.812 596 c HN 0.809 nan 8.230 nan 0.000 0.454 597 Y N 1.131 121.491 120.300 0.101 0.000 2.359 597 Y HA 0.209 4.759 4.550 0.000 0.000 0.330 597 Y C 1.794 177.737 175.900 0.071 0.000 1.143 597 Y CA 0.406 58.534 58.100 0.046 0.000 1.318 597 Y CB 0.860 39.301 38.460 -0.031 0.000 1.234 597 Y HN 0.821 nan 8.280 nan 0.000 0.522 598 S N 1.161 116.956 115.700 0.158 0.000 2.461 598 S HA 0.124 4.594 4.470 0.000 0.000 0.228 598 S C 0.997 175.534 174.600 -0.105 0.000 1.005 598 S CA 0.480 58.724 58.200 0.073 0.000 0.942 598 S CB -0.230 63.014 63.200 0.074 0.000 0.776 598 S HN 0.703 nan 8.310 nan 0.000 0.514 599 R N 1.215 121.584 120.500 -0.219 0.000 2.744 599 R HA 0.798 5.138 4.340 0.000 0.000 0.279 599 R C -3.555 172.387 176.300 -0.598 0.000 0.977 599 R CA -2.372 53.338 56.100 -0.649 0.000 0.906 599 R CB -0.700 29.270 30.300 -0.550 0.000 1.197 599 R HN 0.191 nan 8.270 nan 0.000 0.463 600 P HA 0.181 nan 4.420 nan 0.000 0.269 600 P C -0.492 176.513 177.300 -0.491 0.000 1.211 600 P CA -0.257 62.391 63.100 -0.754 0.000 0.781 600 P CB 0.456 31.555 31.700 -1.003 0.000 0.877 601 L N 1.285 122.276 121.223 -0.386 0.000 2.360 601 L HA 0.647 4.987 4.340 0.000 0.000 0.271 601 L C 0.437 177.185 176.870 -0.204 0.000 1.057 601 L CA -0.658 53.976 54.840 -0.343 0.000 0.803 601 L CB 1.263 43.091 42.059 -0.386 0.000 1.207 601 L HN 0.212 nan 8.230 nan 0.000 0.445 602 V N -1.462 118.363 119.914 -0.148 0.000 3.206 602 V HA 0.806 4.926 4.120 0.000 0.000 0.305 602 V C -0.676 175.409 176.094 -0.016 0.000 1.257 602 V CA -0.493 61.763 62.300 -0.073 0.000 1.057 602 V CB 2.138 33.927 31.823 -0.057 0.000 1.075 602 V HN 0.708 nan 8.190 nan 0.000 0.443 603 S N 0.849 116.558 115.700 0.015 0.000 2.556 603 S HA 0.992 5.463 4.470 0.000 0.000 0.271 603 S C -1.021 173.610 174.600 0.051 0.000 1.135 603 S CA -0.326 57.858 58.200 -0.025 0.000 0.858 603 S CB 1.706 64.849 63.200 -0.096 0.000 1.114 603 S HN 1.612 nan 8.310 nan 0.000 0.468 604 F N -0.481 119.373 119.950 -0.161 0.000 3.090 604 F HA 0.860 5.387 4.527 0.000 0.000 0.324 604 F C -1.447 174.226 175.800 -0.213 0.000 1.189 604 F CA -1.420 56.458 58.000 -0.203 0.000 0.907 604 F CB 1.127 39.959 39.000 -0.280 0.000 1.445 604 F HN 0.622 nan 8.300 nan 0.000 0.500 605 R N -0.286 120.224 120.500 0.017 0.000 2.536 605 R HA 0.385 4.725 4.340 0.000 0.000 0.269 605 R C -1.314 174.991 176.300 0.007 0.000 1.113 605 R CA -0.780 55.272 56.100 -0.080 0.000 0.948 605 R CB 0.923 31.203 30.300 -0.034 0.000 1.237 605 R HN 0.812 nan 8.270 nan 0.000 0.441 606 Y N 1.317 121.718 120.300 0.168 0.000 2.089 606 Y HA -0.126 4.424 4.550 0.000 0.000 0.282 606 Y C 0.740 176.684 175.900 0.073 0.000 1.139 606 Y CA 1.155 59.334 58.100 0.132 0.000 1.123 606 Y CB 0.106 38.632 38.460 0.110 0.000 0.980 606 Y HN 0.498 nan 8.280 nan 0.000 0.493 607 E N 1.022 121.358 120.200 0.226 0.000 2.231 607 E HA 0.071 4.421 4.350 0.000 0.000 0.277 607 E C -0.516 176.132 176.600 0.078 0.000 0.999 607 E CA -0.227 56.246 56.400 0.122 0.000 0.827 607 E CB 1.207 30.965 29.700 0.097 0.000 1.101 607 E HN 0.235 nan 8.360 nan 0.000 0.393 608 D N 1.631 122.063 120.400 0.054 0.000 2.280 608 D HA -0.185 4.455 4.640 0.000 0.000 0.206 608 D C 1.150 177.465 176.300 0.026 0.000 0.988 608 D CA 1.601 55.622 54.000 0.035 0.000 0.886 608 D CB 0.101 40.917 40.800 0.028 0.000 0.914 608 D HN 0.482 nan 8.370 nan 0.000 0.473 609 Q N -0.785 119.033 119.800 0.030 0.000 2.316 609 Q HA 0.244 4.584 4.340 0.000 0.000 0.235 609 Q C 1.074 177.088 176.000 0.023 0.000 0.863 609 Q CA 0.082 55.897 55.803 0.021 0.000 0.939 609 Q CB 1.023 29.772 28.738 0.018 0.000 1.108 609 Q HN 0.128 nan 8.270 nan 0.000 0.522 610 G N 2.591 111.416 108.800 0.042 0.000 2.562 610 G HA2 0.158 4.118 3.960 0.000 0.000 0.233 610 G HA3 0.158 4.118 3.960 0.000 0.000 0.233 610 G C -2.414 172.501 174.900 0.025 0.000 1.266 610 G CA -0.763 44.369 45.100 0.054 0.000 0.852 610 G HN -0.055 nan 8.290 nan 0.000 0.581 611 P HA 0.032 nan 4.420 nan 0.000 0.269 611 P C -0.029 177.227 177.300 -0.073 0.000 1.211 611 P CA -0.413 62.673 63.100 -0.023 0.000 0.781 611 P CB 0.494 32.184 31.700 -0.016 0.000 0.877 612 L N 2.767 123.924 121.223 -0.112 0.000 2.371 612 L HA 0.254 4.594 4.340 0.000 0.000 0.272 612 L C -0.423 176.274 176.870 -0.288 0.000 1.124 612 L CA 0.049 54.768 54.840 -0.201 0.000 0.816 612 L CB 0.913 42.882 42.059 -0.149 0.000 1.129 612 L HN 0.083 nan 8.230 nan 0.000 0.448 613 V N 3.189 122.767 119.914 -0.559 0.000 2.919 613 V HA 0.504 4.624 4.120 0.000 0.000 0.316 613 V C -0.400 175.372 176.094 -0.537 0.000 1.077 613 V CA -0.970 60.958 62.300 -0.620 0.000 0.977 613 V CB 1.905 33.145 31.823 -0.971 0.000 1.039 613 V HN 0.671 nan 8.190 nan 0.000 0.441 614 E N 1.206 121.239 120.200 -0.279 0.000 2.158 614 E HA 0.683 5.034 4.350 0.000 0.000 0.271 614 E C -0.195 176.388 176.600 -0.028 0.000 0.911 614 E CA -0.298 56.022 56.400 -0.135 0.000 0.767 614 E CB 2.191 31.838 29.700 -0.089 0.000 1.120 614 E HN 0.957 nan 8.360 nan 0.000 0.405 615 G N 0.820 109.638 108.800 0.030 0.000 2.646 615 G HA2 0.495 4.455 3.960 0.000 0.000 0.291 615 G HA3 0.495 4.455 3.960 0.000 0.000 0.291 615 G C -1.414 173.478 174.900 -0.014 0.000 1.445 615 G CA -0.536 44.605 45.100 0.069 0.000 0.814 615 G HN 0.493 nan 8.290 nan 0.000 0.495 616 Q N 0.098 119.871 119.800 -0.045 0.000 2.230 616 Q HA 0.740 5.080 4.340 0.000 0.000 0.253 616 Q C 0.074 176.013 176.000 -0.101 0.000 0.919 616 Q CA -0.916 54.808 55.803 -0.132 0.000 0.908 616 Q CB 1.663 30.322 28.738 -0.132 0.000 1.245 616 Q HN 1.604 nan 8.270 nan 0.000 0.437 617 L N 2.476 123.599 121.223 -0.166 0.000 2.559 617 L HA 0.499 4.839 4.340 0.000 0.000 0.282 617 L C 0.880 177.698 176.870 -0.088 0.000 1.232 617 L CA 1.261 56.024 54.840 -0.128 0.000 0.885 617 L CB 0.438 42.367 42.059 -0.217 0.000 1.131 617 L HN 0.851 nan 8.230 nan 0.000 0.498 618 G N 3.746 112.544 108.800 -0.003 0.000 2.890 618 G HA2 0.381 4.341 3.960 0.000 0.000 0.189 618 G HA3 0.381 4.341 3.960 0.000 0.000 0.189 618 G C -0.827 174.116 174.900 0.071 0.000 1.342 618 G CA -0.533 44.585 45.100 0.029 0.000 1.026 618 G HN 0.663 nan 8.290 nan 0.000 0.579 619 E N -0.031 120.224 120.200 0.092 0.000 2.248 619 E HA 0.240 4.590 4.350 0.000 0.000 0.272 619 E C -0.316 176.359 176.600 0.124 0.000 1.008 619 E CA -0.534 55.939 56.400 0.120 0.000 0.856 619 E CB 1.208 30.971 29.700 0.104 0.000 1.120 619 E HN 0.445 nan 8.360 nan 0.000 0.397 620 N N 2.860 121.639 118.700 0.133 0.000 2.714 620 N HA -0.241 4.499 4.740 0.000 0.000 0.252 620 N C -1.025 174.550 175.510 0.110 0.000 1.014 620 N CA 0.871 53.981 53.050 0.100 0.000 0.735 620 N CB -1.325 37.205 38.487 0.070 0.000 0.924 620 N HN 0.648 nan 8.380 nan 0.000 0.540 621 N N -1.209 117.588 118.700 0.163 0.000 2.735 621 N HA -0.258 4.482 4.740 0.000 0.000 0.248 621 N C -0.371 175.306 175.510 0.278 0.000 1.083 621 N CA 1.406 54.600 53.050 0.239 0.000 0.703 621 N CB -1.028 37.426 38.487 -0.056 0.000 1.005 621 N HN 0.866 nan 8.380 nan 0.000 0.550 622 E N 0.473 120.796 120.200 0.204 0.000 2.313 622 E HA 0.313 4.663 4.350 0.000 0.000 0.272 622 E C -0.261 176.402 176.600 0.104 0.000 1.038 622 E CA -0.492 56.008 56.400 0.168 0.000 0.863 622 E CB 0.666 30.438 29.700 0.119 0.000 1.060 622 E HN 0.233 nan 8.360 nan 0.000 0.402 623 L N 5.242 126.484 121.223 0.032 0.000 2.264 623 L HA 0.420 4.760 4.340 0.000 0.000 0.287 623 L C 0.283 177.156 176.870 0.005 0.000 1.039 623 L CA -0.445 54.343 54.840 -0.088 0.000 0.829 623 L CB 0.739 42.546 42.059 -0.419 0.000 1.211 623 L HN 0.413 nan 8.230 nan 0.000 0.427 624 R N 2.813 123.332 120.500 0.031 0.000 2.404 624 R HA 0.401 4.741 4.340 0.000 0.000 0.291 624 R C 0.613 176.965 176.300 0.087 0.000 1.025 624 R CA -0.546 55.589 56.100 0.059 0.000 0.991 624 R CB 1.800 32.123 30.300 0.040 0.000 1.053 624 R HN 0.612 nan 8.270 nan 0.000 0.479 625 L N 0.733 122.016 121.223 0.101 0.000 2.121 625 L HA 0.051 4.391 4.340 0.000 0.000 0.200 625 L C 0.671 177.584 176.870 0.071 0.000 1.077 625 L CA 0.567 55.473 54.840 0.110 0.000 0.766 625 L CB -0.353 41.778 42.059 0.119 0.000 0.931 625 L HN 0.654 nan 8.230 nan 0.000 0.452 626 T N 1.305 115.897 114.554 0.064 0.000 2.871 626 T HA 0.040 4.390 4.350 0.000 0.000 0.296 626 T C 0.635 175.373 174.700 0.064 0.000 0.998 626 T CA -0.085 62.050 62.100 0.058 0.000 1.162 626 T CB 0.194 69.094 68.868 0.054 0.000 0.947 626 T HN 0.221 nan 8.240 nan 0.000 0.536 627 R N 2.254 122.802 120.500 0.080 0.000 4.031 627 R HA 0.096 4.437 4.340 0.000 0.000 0.269 627 R C 0.055 176.491 176.300 0.228 0.000 1.668 627 R CA -0.192 55.988 56.100 0.133 0.000 1.432 627 R CB -0.239 30.132 30.300 0.118 0.000 1.374 627 R HN 0.713 nan 8.270 nan 0.000 0.681 628 D N -0.661 119.818 120.400 0.132 0.000 2.427 628 D HA 0.038 4.678 4.640 0.000 0.000 0.224 628 D C 0.182 176.529 176.300 0.079 0.000 1.157 628 D CA -0.374 53.681 54.000 0.091 0.000 0.828 628 D CB 0.543 41.376 40.800 0.055 0.000 0.974 628 D HN 0.056 nan 8.370 nan 0.000 0.498 629 A N 1.365 124.260 122.820 0.125 0.000 2.798 629 A HA 0.438 4.758 4.320 0.000 0.000 0.316 629 A C -0.334 177.308 177.584 0.097 0.000 1.506 629 A CA -0.492 51.603 52.037 0.095 0.000 1.162 629 A CB -0.461 18.586 19.000 0.077 0.000 1.138 629 A HN 0.224 nan 8.150 nan 0.000 0.532 630 I N 1.235 121.822 120.570 0.028 0.000 2.493 630 I HA 0.744 4.914 4.170 0.000 0.000 0.298 630 I C 0.401 176.522 176.117 0.008 0.000 0.998 630 I CA -0.366 60.915 61.300 -0.032 0.000 1.137 630 I CB 0.971 38.910 38.000 -0.102 0.000 1.310 630 I HN 0.659 nan 8.210 nan 0.000 0.445 631 E N 6.959 127.176 120.200 0.029 0.000 2.331 631 E HA 0.650 5.000 4.350 0.000 0.000 0.275 631 E C -2.938 173.692 176.600 0.050 0.000 0.895 631 E CA -1.756 54.682 56.400 0.063 0.000 0.753 631 E CB 1.851 31.624 29.700 0.121 0.000 1.216 631 E HN 0.469 nan 8.360 nan 0.000 0.434 632 P HA 0.130 nan 4.420 nan 0.000 0.264 632 P C -0.023 177.240 177.300 -0.060 0.000 1.193 632 P CA -0.206 62.877 63.100 -0.029 0.000 0.763 632 P CB 0.015 31.707 31.700 -0.012 0.000 0.810 633 c N 3.442 121.900 118.600 -0.236 0.000 2.727 633 c HA 0.112 4.682 4.570 0.000 0.000 0.384 633 c C 1.745 175.662 174.090 -0.289 0.000 1.256 633 c CA 0.060 56.039 56.329 -0.583 0.000 1.410 633 c CB -2.249 39.908 42.510 -0.588 0.000 2.120 633 c HN 0.598 nan 8.230 nan 0.000 0.590 634 T N 1.642 116.164 114.554 -0.053 0.000 2.729 634 T HA 0.400 4.750 4.350 0.000 0.000 0.298 634 T C 0.137 174.890 174.700 0.089 0.000 1.013 634 T CA -0.132 62.009 62.100 0.069 0.000 0.957 634 T CB 0.754 69.713 68.868 0.152 0.000 1.130 634 T HN 0.469 nan 8.240 nan 0.000 0.526 635 V N 0.006 119.973 119.914 0.088 0.000 2.919 635 V HA 0.638 4.758 4.120 0.000 0.000 0.316 635 V C 0.886 177.037 176.094 0.096 0.000 1.077 635 V CA 0.394 62.743 62.300 0.082 0.000 0.977 635 V CB 1.312 33.160 31.823 0.041 0.000 1.039 635 V HN 1.254 nan 8.190 nan 0.000 0.441 636 G N 2.364 111.217 108.800 0.088 0.000 2.305 636 G HA2 -0.188 3.772 3.960 0.000 0.000 0.287 636 G HA3 -0.188 3.772 3.960 0.000 0.000 0.287 636 G C 0.100 175.051 174.900 0.085 0.000 1.036 636 G CA 0.938 46.084 45.100 0.077 0.000 0.887 636 G HN 1.998 nan 8.290 nan 0.000 0.505 637 H N 0.123 119.260 119.070 0.112 0.000 2.705 637 H HA 0.764 5.320 4.556 0.000 0.000 0.291 637 H C 0.762 176.086 175.328 -0.007 0.000 1.085 637 H CA 0.147 56.238 56.048 0.072 0.000 1.357 637 H CB 0.554 30.396 29.762 0.133 0.000 1.419 637 H HN 0.714 nan 8.280 nan 0.000 0.462 638 R N 3.032 123.538 120.500 0.010 0.000 2.407 638 R HA 0.644 4.984 4.340 0.000 0.000 0.303 638 R C -0.660 175.594 176.300 -0.076 0.000 0.981 638 R CA -0.956 55.170 56.100 0.043 0.000 0.905 638 R CB 1.529 31.932 30.300 0.172 0.000 1.099 638 R HN 0.552 nan 8.270 nan 0.000 0.459 639 R N 2.874 123.240 120.500 -0.225 0.000 2.512 639 R HA 0.248 4.588 4.340 0.000 0.000 0.291 639 R C -1.420 174.524 176.300 -0.593 0.000 1.097 639 R CA -0.831 55.009 56.100 -0.434 0.000 0.940 639 R CB 1.228 31.298 30.300 -0.384 0.000 1.198 639 R HN 0.558 nan 8.270 nan 0.000 0.429 640 Y N 2.495 122.499 120.300 -0.494 0.000 2.361 640 Y HA 0.600 5.150 4.550 0.000 0.000 0.332 640 Y C 0.133 175.622 175.900 -0.686 0.000 1.101 640 Y CA -0.645 57.236 58.100 -0.365 0.000 1.137 640 Y CB 1.225 39.494 38.460 -0.319 0.000 1.207 640 Y HN 0.339 nan 8.280 nan 0.000 0.463 641 F N -0.078 120.087 119.950 0.359 0.000 2.561 641 F HA 0.316 4.843 4.527 0.000 0.000 0.313 641 F C -0.164 175.921 175.800 0.475 0.000 1.126 641 F CA -1.436 56.756 58.000 0.320 0.000 0.918 641 F CB 1.892 40.967 39.000 0.124 0.000 1.199 641 F HN 0.454 nan 8.300 nan 0.000 0.444 642 T N 0.216 115.136 114.554 0.611 0.000 2.822 642 T HA 0.177 4.527 4.350 0.000 0.000 0.288 642 T C -0.865 174.058 174.700 0.371 0.000 0.991 642 T CA 0.257 62.530 62.100 0.288 0.000 1.176 642 T CB 0.016 68.980 68.868 0.159 0.000 0.951 642 T HN 0.485 nan 8.240 nan 0.000 0.526 643 F N 3.449 123.446 119.950 0.078 0.000 3.361 643 F HA 0.524 5.051 4.527 0.000 0.000 0.390 643 F C 0.501 176.378 175.800 0.129 0.000 1.251 643 F CA 0.403 58.520 58.000 0.196 0.000 1.260 643 F CB 0.571 39.733 39.000 0.269 0.000 1.847 643 F HN 1.303 nan 8.300 nan 0.000 0.673 644 G N 3.010 111.614 108.800 -0.327 0.000 2.553 644 G HA2 -0.150 3.811 3.960 0.000 0.000 0.242 644 G HA3 -0.150 3.811 3.960 0.000 0.000 0.242 644 G C 1.005 175.741 174.900 -0.272 0.000 1.277 644 G CA -0.078 44.776 45.100 -0.409 0.000 0.910 644 G HN 1.509 nan 8.290 nan 0.000 0.576 645 G N 0.233 108.915 108.800 -0.197 0.000 2.535 645 G HA2 0.462 4.422 3.960 0.000 0.000 0.218 645 G HA3 0.462 4.422 3.960 0.000 0.000 0.218 645 G C 1.004 175.822 174.900 -0.135 0.000 1.122 645 G CA 2.062 47.078 45.100 -0.140 0.000 0.769 645 G HN 1.904 nan 8.290 nan 0.000 0.549 646 G N -1.811 106.910 108.800 -0.132 0.000 3.058 646 G HA2 0.577 4.537 3.960 0.000 0.000 0.282 646 G HA3 0.577 4.537 3.960 0.000 0.000 0.282 646 G C -1.382 173.419 174.900 -0.166 0.000 1.248 646 G CA -1.005 44.021 45.100 -0.123 0.000 0.822 646 G HN 0.015 nan 8.290 nan 0.000 0.579 647 Y N -1.945 118.472 120.300 0.194 0.000 2.654 647 Y HA 0.716 5.266 4.550 0.000 0.000 0.327 647 Y C 0.071 176.165 175.900 0.323 0.000 1.122 647 Y CA -0.861 57.400 58.100 0.268 0.000 1.227 647 Y CB 2.050 40.636 38.460 0.210 0.000 1.370 647 Y HN 0.385 nan 8.280 nan 0.000 0.528 648 V N 0.999 121.230 119.914 0.529 0.000 2.686 648 V HA 0.433 4.553 4.120 0.000 0.000 0.306 648 V C -2.014 174.276 176.094 0.327 0.000 1.065 648 V CA -0.712 61.801 62.300 0.355 0.000 0.894 648 V CB 1.433 33.452 31.823 0.327 0.000 1.004 648 V HN 0.622 nan 8.190 nan 0.000 0.424 649 Y N 6.727 126.934 120.300 -0.155 0.000 2.361 649 Y HA 0.767 5.317 4.550 0.000 0.000 0.332 649 Y C -1.364 174.371 175.900 -0.276 0.000 1.101 649 Y CA -1.705 56.204 58.100 -0.318 0.000 1.137 649 Y CB 1.793 39.868 38.460 -0.641 0.000 1.207 649 Y HN 0.585 nan 8.280 nan 0.000 0.463 650 F N 3.189 122.533 119.950 -1.009 0.000 2.577 650 F HA 0.479 5.006 4.527 0.000 0.000 0.344 650 F C -0.029 175.164 175.800 -1.012 0.000 1.145 650 F CA -0.612 56.912 58.000 -0.794 0.000 0.996 650 F CB 1.064 39.897 39.000 -0.279 0.000 1.248 650 F HN 0.616 nan 8.300 nan 0.000 0.447 651 E N 1.238 120.901 120.200 -0.895 0.000 2.174 651 E HA 0.555 4.905 4.350 0.000 0.000 0.282 651 E C 0.583 177.101 176.600 -0.136 0.000 0.992 651 E CA -0.024 56.096 56.400 -0.467 0.000 0.803 651 E CB 0.805 30.333 29.700 -0.287 0.000 1.090 651 E HN 1.156 nan 8.360 nan 0.000 0.396 652 E N 1.028 121.231 120.200 0.006 0.000 2.416 652 E HA -0.206 4.144 4.350 0.000 0.000 0.249 652 E C 0.448 177.237 176.600 0.314 0.000 1.124 652 E CA 1.101 57.605 56.400 0.173 0.000 0.732 652 E CB -3.158 26.600 29.700 0.097 0.000 1.286 652 E HN 1.920 nan 8.360 nan 0.000 0.394 653 Y N -4.574 115.767 120.300 0.068 0.000 3.978 653 Y HA -0.124 4.426 4.550 0.000 0.000 0.219 653 Y C 0.959 176.995 175.900 0.226 0.000 1.153 653 Y CA 1.961 60.151 58.100 0.150 0.000 1.718 653 Y CB -1.818 36.700 38.460 0.098 0.000 1.541 653 Y HN 1.800 nan 8.280 nan 0.000 0.640 654 A N -0.811 122.165 122.820 0.260 0.000 2.393 654 A HA 0.591 4.911 4.320 0.000 0.000 0.306 654 A C -0.731 176.698 177.584 -0.258 0.000 1.050 654 A CA -0.893 51.223 52.037 0.132 0.000 0.724 654 A CB 0.615 19.652 19.000 0.063 0.000 1.248 654 A HN 0.282 nan 8.150 nan 0.000 0.424 655 Y N 2.520 122.412 120.300 -0.680 0.000 2.895 655 Y HA 0.108 4.658 4.550 0.000 0.000 0.334 655 Y C 1.258 176.743 175.900 -0.692 0.000 1.261 655 Y CA 1.882 59.199 58.100 -1.304 0.000 1.560 655 Y CB 0.711 38.756 38.460 -0.692 0.000 1.253 655 Y HN 0.741 nan 8.280 nan 0.000 0.582 656 S N 3.352 118.341 115.700 -1.186 0.000 2.826 656 S HA 0.224 4.694 4.470 0.000 0.000 0.193 656 S C -0.570 173.744 174.600 -0.476 0.000 0.838 656 S CA 0.715 58.574 58.200 -0.567 0.000 0.844 656 S CB -0.091 62.855 63.200 -0.422 0.000 0.816 656 S HN 0.962 nan 8.310 nan 0.000 0.626 657 H N -1.131 117.590 119.070 -0.582 0.000 2.917 657 H HA 0.692 5.248 4.556 0.000 0.000 0.269 657 H C -1.214 174.028 175.328 -0.142 0.000 1.488 657 H CA -0.957 54.916 56.048 -0.292 0.000 1.173 657 H CB 0.517 30.265 29.762 -0.023 0.000 1.868 657 H HN 0.314 nan 8.280 nan 0.000 0.600 658 Q N -0.354 119.553 119.800 0.179 0.000 2.633 658 Q HA 0.679 5.019 4.340 0.000 0.000 0.292 658 Q C -1.369 174.832 176.000 0.334 0.000 1.089 658 Q CA -1.250 54.678 55.803 0.208 0.000 0.811 658 Q CB 3.003 31.917 28.738 0.294 0.000 1.472 658 Q HN 0.575 nan 8.270 nan 0.000 0.464 659 L N -2.640 118.749 121.223 0.276 0.000 3.041 659 L HA 0.628 4.968 4.340 0.000 0.000 0.278 659 L C -0.803 176.192 176.870 0.208 0.000 1.051 659 L CA -0.967 54.023 54.840 0.249 0.000 0.957 659 L CB 0.765 42.985 42.059 0.268 0.000 1.538 659 L HN 0.658 nan 8.230 nan 0.000 0.393 660 S N -1.269 114.530 115.700 0.164 0.000 2.638 660 S HA 0.629 5.099 4.470 0.000 0.000 0.298 660 S C 0.665 175.360 174.600 0.159 0.000 1.111 660 S CA -0.681 57.593 58.200 0.124 0.000 1.027 660 S CB 1.870 65.118 63.200 0.079 0.000 1.064 660 S HN 0.727 nan 8.310 nan 0.000 0.525 661 R N 1.025 121.609 120.500 0.141 0.000 2.139 661 R HA -0.146 4.194 4.340 0.000 0.000 0.243 661 R C 2.408 178.778 176.300 0.116 0.000 1.145 661 R CA 1.399 57.620 56.100 0.201 0.000 0.976 661 R CB -1.127 29.250 30.300 0.128 0.000 0.866 661 R HN 0.818 nan 8.270 nan 0.000 0.449 662 A N 2.020 124.885 122.820 0.076 0.000 1.892 662 A HA -0.234 4.086 4.320 0.000 0.000 0.218 662 A C 1.577 179.183 177.584 0.036 0.000 1.188 662 A CA 1.969 54.034 52.037 0.046 0.000 0.631 662 A CB -0.463 18.561 19.000 0.039 0.000 0.822 662 A HN 0.209 nan 8.150 nan 0.000 0.447 663 D N -0.285 120.146 120.400 0.051 0.000 2.221 663 D HA -0.061 4.579 4.640 0.000 0.000 0.204 663 D C 0.614 176.907 176.300 -0.012 0.000 0.982 663 D CA 0.787 54.806 54.000 0.032 0.000 0.857 663 D CB -0.219 40.621 40.800 0.065 0.000 0.934 663 D HN 0.481 nan 8.370 nan 0.000 0.475 664 I N 1.867 122.425 120.570 -0.019 0.000 2.315 664 I HA 0.030 4.200 4.170 0.000 0.000 0.291 664 I C 0.553 176.629 176.117 -0.068 0.000 1.006 664 I CA -0.584 60.658 61.300 -0.097 0.000 1.265 664 I CB 1.376 39.273 38.000 -0.172 0.000 1.387 664 I HN -0.166 nan 8.210 nan 0.000 0.475 665 T N 2.006 116.510 114.554 -0.085 0.000 2.908 665 T HA 0.078 4.428 4.350 0.000 0.000 0.301 665 T C 0.189 174.848 174.700 -0.069 0.000 1.019 665 T CA -0.413 61.647 62.100 -0.065 0.000 1.152 665 T CB 0.099 68.925 68.868 -0.070 0.000 0.966 665 T HN 0.564 nan 8.240 nan 0.000 0.540 666 T N 3.705 118.231 114.554 -0.047 0.000 2.779 666 T HA 0.575 4.925 4.350 0.000 0.000 0.280 666 T C 0.312 174.976 174.700 -0.059 0.000 0.987 666 T CA -0.790 61.281 62.100 -0.048 0.000 0.966 666 T CB 1.156 70.012 68.868 -0.021 0.000 0.933 666 T HN 0.915 nan 8.240 nan 0.000 0.442 667 V N 0.764 120.630 119.914 -0.081 0.000 2.769 667 V HA 0.899 5.019 4.120 0.000 0.000 0.312 667 V C 0.057 176.063 176.094 -0.147 0.000 1.058 667 V CA -0.853 61.392 62.300 -0.092 0.000 0.952 667 V CB 1.929 33.701 31.823 -0.085 0.000 1.019 667 V HN 0.762 nan 8.190 nan 0.000 0.445 668 S N 0.981 116.582 115.700 -0.164 0.000 2.509 668 S HA 0.516 4.987 4.470 0.000 0.000 0.297 668 S C 1.044 175.460 174.600 -0.307 0.000 1.118 668 S CA 0.147 58.157 58.200 -0.315 0.000 1.074 668 S CB 1.623 64.693 63.200 -0.218 0.000 1.038 668 S HN 1.320 nan 8.310 nan 0.000 0.498 669 T N 1.617 115.868 114.554 -0.504 0.000 3.065 669 T HA 0.294 4.644 4.350 0.000 0.000 0.252 669 T C 0.245 174.894 174.700 -0.086 0.000 1.099 669 T CA 0.008 61.948 62.100 -0.266 0.000 1.063 669 T CB -0.422 68.306 68.868 -0.233 0.000 0.948 669 T HN 0.380 nan 8.240 nan 0.000 0.506 670 F N 1.525 121.481 119.950 0.010 0.000 2.471 670 F HA 0.535 5.062 4.527 0.000 0.000 0.353 670 F C 0.452 176.262 175.800 0.016 0.000 1.113 670 F CA -2.676 55.335 58.000 0.018 0.000 1.262 670 F CB -0.048 38.964 39.000 0.021 0.000 1.146 670 F HN -0.042 nan 8.300 nan 0.000 0.578 671 I N 2.974 123.678 120.570 0.224 0.000 2.359 671 I HA 0.205 4.375 4.170 0.000 0.000 0.294 671 I C 0.016 176.201 176.117 0.112 0.000 0.987 671 I CA -0.433 60.945 61.300 0.130 0.000 1.225 671 I CB 0.654 38.710 38.000 0.093 0.000 1.366 671 I HN 0.385 nan 8.210 nan 0.000 0.466 672 D N 5.378 125.830 120.400 0.087 0.000 2.313 672 D HA 0.482 5.122 4.640 0.000 0.000 0.247 672 D C -0.790 175.535 176.300 0.042 0.000 1.094 672 D CA -0.065 53.973 54.000 0.063 0.000 0.925 672 D CB 1.679 42.513 40.800 0.057 0.000 1.188 672 D HN 0.190 nan 8.370 nan 0.000 0.430 673 L N 2.425 123.664 121.223 0.026 0.000 2.620 673 L HA 0.258 4.598 4.340 0.000 0.000 0.261 673 L C -1.518 175.354 176.870 0.003 0.000 0.978 673 L CA -0.489 54.360 54.840 0.015 0.000 0.897 673 L CB 1.043 43.110 42.059 0.014 0.000 1.207 673 L HN 0.106 nan 8.230 nan 0.000 0.425 674 N N 6.354 125.056 118.700 0.004 0.000 2.719 674 N HA 0.290 5.030 4.740 0.000 0.000 0.243 674 N C -0.462 175.045 175.510 -0.005 0.000 1.104 674 N CA -0.280 52.770 53.050 -0.000 0.000 0.981 674 N CB 0.868 39.358 38.487 0.004 0.000 1.290 674 N HN 0.423 nan 8.380 nan 0.000 0.513 675 I N 0.889 121.452 120.570 -0.012 0.000 2.474 675 I HA 0.150 4.321 4.170 0.000 0.000 0.287 675 I C 1.151 177.260 176.117 -0.013 0.000 1.048 675 I CA 0.138 61.429 61.300 -0.016 0.000 1.383 675 I CB 1.048 39.031 38.000 -0.027 0.000 1.412 675 I HN 0.109 nan 8.210 nan 0.000 0.531 676 T N 7.101 121.649 114.554 -0.010 0.000 2.912 676 T HA 0.553 4.903 4.350 0.000 0.000 0.288 676 T C -0.117 174.579 174.700 -0.006 0.000 1.030 676 T CA -0.635 61.461 62.100 -0.007 0.000 1.020 676 T CB 1.132 69.999 68.868 -0.003 0.000 1.056 676 T HN 0.373 nan 8.240 nan 0.000 0.480 677 M N 3.268 122.865 119.600 -0.004 0.000 2.233 677 M HA 0.358 4.839 4.480 0.000 0.000 0.355 677 M C -0.396 175.908 176.300 0.007 0.000 1.191 677 M CA -0.849 54.450 55.300 -0.001 0.000 1.101 677 M CB 1.122 33.721 32.600 -0.001 0.000 1.592 677 M HN 0.397 nan 8.290 nan 0.000 0.461 678 L N 5.024 126.253 121.223 0.011 0.000 2.534 678 L HA 0.031 4.371 4.340 0.000 0.000 0.271 678 L C 0.483 177.371 176.870 0.029 0.000 1.178 678 L CA 0.578 55.430 54.840 0.019 0.000 0.907 678 L CB 0.049 42.122 42.059 0.023 0.000 1.164 678 L HN 0.631 nan 8.230 nan 0.000 0.482 679 E N 3.882 124.102 120.200 0.033 0.000 2.349 679 E HA 0.113 4.463 4.350 0.000 0.000 0.262 679 E C -0.952 175.685 176.600 0.062 0.000 1.088 679 E CA -0.813 55.610 56.400 0.038 0.000 0.899 679 E CB 0.712 30.431 29.700 0.032 0.000 1.044 679 E HN 0.532 nan 8.360 nan 0.000 0.420 680 D N 1.015 121.447 120.400 0.054 0.000 2.423 680 D HA 0.146 4.786 4.640 0.000 0.000 0.238 680 D C -0.490 175.864 176.300 0.089 0.000 1.142 680 D CA 0.666 54.707 54.000 0.069 0.000 0.884 680 D CB 0.418 41.241 40.800 0.038 0.000 1.199 680 D HN 0.464 nan 8.370 nan 0.000 0.438 681 H N -0.408 118.655 119.070 -0.011 0.000 2.996 681 H HA 0.284 4.840 4.556 0.000 0.000 0.368 681 H C -1.187 174.080 175.328 -0.102 0.000 1.185 681 H CA -0.616 55.376 56.048 -0.093 0.000 1.160 681 H CB 1.421 31.086 29.762 -0.161 0.000 1.820 681 H HN 0.180 nan 8.280 nan 0.000 0.547 682 E N 3.798 123.715 120.200 -0.471 0.000 2.151 682 E HA 0.196 4.546 4.350 0.000 0.000 0.275 682 E C -1.117 175.347 176.600 -0.226 0.000 0.936 682 E CA -0.785 55.496 56.400 -0.198 0.000 0.777 682 E CB 1.149 30.748 29.700 -0.168 0.000 1.108 682 E HN 0.356 nan 8.360 nan 0.000 0.401 683 F N 3.396 123.409 119.950 0.105 0.000 2.350 683 F HA 0.139 4.666 4.527 0.000 0.000 0.365 683 F C 0.498 176.328 175.800 0.049 0.000 1.122 683 F CA -0.842 57.221 58.000 0.104 0.000 1.139 683 F CB 0.810 39.871 39.000 0.102 0.000 1.220 683 F HN 0.155 nan 8.300 nan 0.000 0.499 684 V N 1.942 121.943 119.914 0.145 0.000 2.834 684 V HA 0.559 4.679 4.120 0.000 0.000 0.301 684 V C -2.177 173.980 176.094 0.106 0.000 1.066 684 V CA -2.135 60.220 62.300 0.092 0.000 1.052 684 V CB 0.157 32.003 31.823 0.038 0.000 1.021 684 V HN 0.473 nan 8.190 nan 0.000 0.480 685 P HA 0.511 nan 4.420 nan 0.000 0.268 685 P C -0.868 176.464 177.300 0.054 0.000 1.204 685 P CA 0.053 63.192 63.100 0.065 0.000 0.768 685 P CB 0.473 32.202 31.700 0.048 0.000 0.842 686 L N 1.803 123.058 121.223 0.052 0.000 2.661 686 L HA 0.304 4.644 4.340 0.000 0.000 0.263 686 L C -1.056 175.829 176.870 0.024 0.000 0.956 686 L CA -0.270 54.591 54.840 0.035 0.000 0.918 686 L CB 1.418 43.501 42.059 0.040 0.000 1.280 686 L HN 0.287 nan 8.230 nan 0.000 0.416 687 E N 3.147 123.354 120.200 0.012 0.000 2.179 687 E HA 0.329 4.679 4.350 0.000 0.000 0.275 687 E C 0.556 177.121 176.600 -0.058 0.000 0.945 687 E CA -0.806 55.596 56.400 0.004 0.000 0.792 687 E CB 2.504 32.223 29.700 0.033 0.000 1.125 687 E HN 0.448 nan 8.360 nan 0.000 0.397 688 V N 2.101 121.951 119.914 -0.107 0.000 2.237 688 V HA -0.207 3.913 4.120 0.000 0.000 0.245 688 V C 0.145 175.938 176.094 -0.501 0.000 1.046 688 V CA 1.478 63.582 62.300 -0.325 0.000 1.007 688 V CB -0.418 31.199 31.823 -0.344 0.000 0.638 688 V HN 0.583 nan 8.190 nan 0.000 0.445 689 Y N -0.105 120.209 120.300 0.023 0.000 2.338 689 Y HA 0.474 5.024 4.550 0.000 0.000 0.333 689 Y C 0.596 176.512 175.900 0.026 0.000 0.968 689 Y CA -0.929 57.182 58.100 0.019 0.000 1.123 689 Y CB 1.322 39.788 38.460 0.011 0.000 1.165 689 Y HN 0.102 nan 8.280 nan 0.000 0.452 690 T N -0.943 113.712 114.554 0.168 0.000 2.860 690 T HA 0.148 4.498 4.350 0.000 0.000 0.299 690 T C 1.061 175.841 174.700 0.133 0.000 1.045 690 T CA -0.830 61.348 62.100 0.130 0.000 1.071 690 T CB 0.894 69.833 68.868 0.119 0.000 0.985 690 T HN 0.885 nan 8.240 nan 0.000 0.537 691 R N 0.121 120.689 120.500 0.114 0.000 2.323 691 R HA 0.002 4.342 4.340 0.000 0.000 0.198 691 R C 1.491 177.869 176.300 0.129 0.000 0.988 691 R CA 0.731 56.890 56.100 0.097 0.000 1.041 691 R CB -0.603 29.742 30.300 0.076 0.000 0.926 691 R HN 0.861 nan 8.270 nan 0.000 0.476 692 H N 1.217 120.312 119.070 0.041 0.000 2.486 692 H HA 0.144 4.701 4.556 0.000 0.000 0.287 692 H C 1.226 176.576 175.328 0.036 0.000 1.010 692 H CA 1.276 57.344 56.048 0.033 0.000 1.324 692 H CB 0.330 30.110 29.762 0.031 0.000 1.446 692 H HN 0.346 nan 8.280 nan 0.000 0.537 693 E N 0.327 120.501 120.200 -0.043 0.000 2.051 693 E HA -0.131 4.219 4.350 0.000 0.000 0.192 693 E C 1.937 178.484 176.600 -0.089 0.000 0.991 693 E CA 1.084 57.438 56.400 -0.077 0.000 0.799 693 E CB 0.147 29.905 29.700 0.096 0.000 0.748 693 E HN 0.408 nan 8.360 nan 0.000 0.449 694 I N 1.335 121.886 120.570 -0.032 0.000 2.226 694 I HA -0.226 3.944 4.170 0.000 0.000 0.245 694 I C 2.384 178.470 176.117 -0.052 0.000 1.100 694 I CA 1.289 62.556 61.300 -0.055 0.000 1.374 694 I CB -0.644 37.351 38.000 -0.008 0.000 1.057 694 I HN 0.020 nan 8.210 nan 0.000 0.413 695 K N 1.295 121.679 120.400 -0.026 0.000 2.097 695 K HA -0.236 4.084 4.320 0.000 0.000 0.206 695 K C 1.651 178.219 176.600 -0.054 0.000 1.049 695 K CA 1.841 58.127 56.287 -0.002 0.000 0.933 695 K CB -0.294 32.265 32.500 0.098 0.000 0.717 695 K HN 0.310 nan 8.250 nan 0.000 0.442 696 D N -1.100 119.205 120.400 -0.158 0.000 2.348 696 D HA -0.036 4.604 4.640 0.000 0.000 0.211 696 D C 0.629 176.864 176.300 -0.108 0.000 0.998 696 D CA 0.629 54.529 54.000 -0.167 0.000 0.873 696 D CB 0.073 40.679 40.800 -0.323 0.000 0.925 696 D HN 0.204 nan 8.370 nan 0.000 0.524 697 S N -0.860 114.777 115.700 -0.105 0.000 2.851 697 S HA 0.232 4.702 4.470 0.000 0.000 0.227 697 S C 0.932 175.490 174.600 -0.070 0.000 0.958 697 S CA -0.332 57.810 58.200 -0.095 0.000 0.990 697 S CB 0.107 63.228 63.200 -0.132 0.000 0.790 697 S HN 0.233 nan 8.310 nan 0.000 0.509 698 G N 1.120 109.889 108.800 -0.051 0.000 2.522 698 G HA2 0.532 4.493 3.960 0.000 0.000 0.318 698 G HA3 0.532 4.493 3.960 0.000 0.000 0.318 698 G C 0.329 175.216 174.900 -0.021 0.000 1.192 698 G CA -0.717 44.364 45.100 -0.032 0.000 0.988 698 G HN 0.223 nan 8.290 nan 0.000 0.480 699 L N 3.731 124.940 121.223 -0.023 0.000 1.941 699 L HA 0.012 4.352 4.340 0.000 0.000 0.224 699 L C 1.332 178.200 176.870 -0.003 0.000 1.081 699 L CA 1.671 56.502 54.840 -0.016 0.000 0.784 699 L CB -0.639 41.408 42.059 -0.019 0.000 0.894 699 L HN 0.443 nan 8.230 nan 0.000 0.436 700 L N 0.957 122.182 121.223 0.003 0.000 2.319 700 L HA 0.169 4.509 4.340 0.000 0.000 0.280 700 L C -0.422 176.473 176.870 0.041 0.000 1.099 700 L CA -0.037 54.816 54.840 0.022 0.000 0.828 700 L CB 0.541 42.615 42.059 0.025 0.000 1.150 700 L HN 0.243 nan 8.230 nan 0.000 0.442 701 D N 2.326 122.757 120.400 0.051 0.000 2.414 701 D HA 0.009 4.649 4.640 0.000 0.000 0.232 701 D C 0.508 176.872 176.300 0.107 0.000 1.070 701 D CA -0.389 53.654 54.000 0.071 0.000 0.839 701 D CB 1.064 41.891 40.800 0.045 0.000 1.079 701 D HN 0.407 nan 8.370 nan 0.000 0.521 702 Y N 3.253 123.554 120.300 0.002 0.000 2.151 702 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 702 Y C 1.874 177.779 175.900 0.008 0.000 1.166 702 Y CA 2.109 60.212 58.100 0.004 0.000 1.163 702 Y CB -0.305 38.157 38.460 0.005 0.000 0.974 702 Y HN 0.350 nan 8.280 nan 0.000 0.511 703 T N 0.302 114.826 114.554 -0.049 0.000 2.770 703 T HA -0.134 4.216 4.350 0.000 0.000 0.263 703 T C 1.579 176.216 174.700 -0.105 0.000 1.039 703 T CA 1.400 63.422 62.100 -0.131 0.000 1.142 703 T CB -0.214 68.638 68.868 -0.027 0.000 0.868 703 T HN 0.328 nan 8.240 nan 0.000 0.435 704 E N 1.018 121.194 120.200 -0.039 0.000 2.209 704 E HA -0.078 4.272 4.350 0.000 0.000 0.196 704 E C 2.312 178.890 176.600 -0.036 0.000 0.993 704 E CA 0.663 57.050 56.400 -0.022 0.000 0.819 704 E CB -0.478 29.226 29.700 0.006 0.000 0.745 704 E HN 0.360 nan 8.360 nan 0.000 0.477 705 V N 1.133 121.009 119.914 -0.064 0.000 2.374 705 V HA -0.155 3.965 4.120 0.000 0.000 0.241 705 V C 2.371 178.406 176.094 -0.098 0.000 1.034 705 V CA 1.057 63.321 62.300 -0.059 0.000 1.037 705 V CB -0.328 31.475 31.823 -0.033 0.000 0.682 705 V HN 0.104 nan 8.190 nan 0.000 0.463 706 Q N 0.171 119.844 119.800 -0.212 0.000 2.030 706 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 706 Q C 2.383 178.316 176.000 -0.113 0.000 0.986 706 Q CA 1.484 57.163 55.803 -0.207 0.000 0.843 706 Q CB -0.681 27.832 28.738 -0.376 0.000 0.904 706 Q HN 0.390 nan 8.270 nan 0.000 0.420 707 R N 0.857 121.293 120.500 -0.107 0.000 2.113 707 R HA -0.176 4.164 4.340 0.000 0.000 0.244 707 R C 2.182 178.469 176.300 -0.022 0.000 1.142 707 R CA 1.742 57.809 56.100 -0.056 0.000 0.953 707 R CB -0.267 30.005 30.300 -0.047 0.000 0.860 707 R HN 0.205 nan 8.270 nan 0.000 0.438 708 R N -0.040 120.453 120.500 -0.013 0.000 2.057 708 R HA -0.077 4.263 4.340 0.000 0.000 0.229 708 R C 1.816 178.151 176.300 0.059 0.000 1.136 708 R CA 1.616 57.733 56.100 0.027 0.000 0.952 708 R CB -0.260 30.060 30.300 0.033 0.000 0.848 708 R HN 0.223 nan 8.270 nan 0.000 0.430 709 N N 1.136 119.855 118.700 0.032 0.000 2.205 709 N HA -0.165 4.575 4.740 0.000 0.000 0.186 709 N C 1.064 176.610 175.510 0.060 0.000 1.015 709 N CA 1.199 54.275 53.050 0.043 0.000 0.862 709 N CB -0.090 38.393 38.487 -0.007 0.000 0.986 709 N HN 0.397 nan 8.380 nan 0.000 0.429 710 Q N -0.444 119.375 119.800 0.031 0.000 2.322 710 Q HA 0.221 4.561 4.340 0.000 0.000 0.203 710 Q C 0.838 176.870 176.000 0.053 0.000 0.923 710 Q CA 0.067 55.889 55.803 0.032 0.000 0.949 710 Q CB 0.373 29.110 28.738 -0.002 0.000 1.039 710 Q HN 0.360 nan 8.270 nan 0.000 0.496 711 L N -1.864 119.409 121.223 0.084 0.000 2.731 711 L HA 0.100 4.440 4.340 0.000 0.000 0.240 711 L C 1.628 178.579 176.870 0.135 0.000 1.120 711 L CA -0.003 54.879 54.840 0.070 0.000 0.913 711 L CB 0.109 42.185 42.059 0.029 0.000 1.213 711 L HN 0.259 nan 8.230 nan 0.000 0.515 712 H N 1.181 120.332 119.070 0.136 0.000 2.321 712 H HA -0.254 4.302 4.556 0.000 0.000 0.295 712 H C 1.610 177.114 175.328 0.293 0.000 1.102 712 H CA 2.545 58.762 56.048 0.282 0.000 1.266 712 H CB 0.314 30.164 29.762 0.147 0.000 1.363 712 H HN 0.232 nan 8.280 nan 0.000 0.492 713 D N -0.310 120.241 120.400 0.252 0.000 2.123 713 D HA -0.102 4.538 4.640 0.000 0.000 0.200 713 D C 2.464 178.795 176.300 0.052 0.000 0.976 713 D CA 0.848 54.940 54.000 0.154 0.000 0.831 713 D CB -0.249 40.623 40.800 0.120 0.000 0.974 713 D HN 0.373 nan 8.370 nan 0.000 0.469 714 L N 0.359 121.590 121.223 0.013 0.000 1.970 714 L HA -0.146 4.194 4.340 0.000 0.000 0.212 714 L C 2.515 179.296 176.870 -0.148 0.000 1.071 714 L CA 1.320 56.129 54.840 -0.051 0.000 0.751 714 L CB -0.391 41.638 42.059 -0.049 0.000 0.889 714 L HN -0.014 nan 8.230 nan 0.000 0.432 715 R N -0.729 119.615 120.500 -0.260 0.000 2.120 715 R HA -0.125 4.215 4.340 0.000 0.000 0.234 715 R C 0.986 176.774 176.300 -0.853 0.000 1.123 715 R CA 1.319 57.029 56.100 -0.650 0.000 0.975 715 R CB -0.057 29.654 30.300 -0.981 0.000 0.866 715 R HN 0.287 nan 8.270 nan 0.000 0.446 716 F N -1.165 118.695 119.950 -0.150 0.000 2.815 716 F HA 0.479 5.006 4.527 0.000 0.000 0.323 716 F C 0.054 175.802 175.800 -0.088 0.000 1.151 716 F CA -0.502 57.401 58.000 -0.162 0.000 1.191 716 F CB 1.248 40.049 39.000 -0.331 0.000 1.069 716 F HN -0.084 nan 8.300 nan 0.000 0.514 717 A N -0.765 122.084 122.820 0.048 0.000 2.515 717 A HA 0.579 4.899 4.320 0.000 0.000 0.292 717 A C -1.972 175.619 177.584 0.012 0.000 1.065 717 A CA -0.885 51.179 52.037 0.045 0.000 0.641 717 A CB 0.872 19.917 19.000 0.075 0.000 1.306 717 A HN -0.089 nan 8.150 nan 0.000 0.441 718 D N 1.326 121.733 120.400 0.011 0.000 2.256 718 D HA 0.482 5.122 4.640 0.000 0.000 0.240 718 D C 0.859 177.162 176.300 0.005 0.000 1.062 718 D CA 0.021 54.022 54.000 0.001 0.000 0.832 718 D CB 1.349 42.146 40.800 -0.004 0.000 1.135 718 D HN 0.639 nan 8.370 nan 0.000 0.484 719 I N -1.701 118.870 120.570 0.003 0.000 4.018 719 I HA 0.230 4.400 4.170 0.000 0.000 0.337 719 I C 0.054 176.171 176.117 -0.000 0.000 1.327 719 I CA 0.010 61.313 61.300 0.005 0.000 1.100 719 I CB 0.548 38.554 38.000 0.010 0.000 1.025 719 I HN -0.039 nan 8.210 nan 0.000 0.396 720 D N 1.422 121.820 120.400 -0.004 0.000 2.514 720 D HA 0.023 4.663 4.640 0.000 0.000 0.249 720 D C 1.105 177.401 176.300 -0.007 0.000 1.036 720 D CA 0.860 54.858 54.000 -0.003 0.000 0.911 720 D CB 0.408 41.207 40.800 -0.002 0.000 1.145 720 D HN 0.401 nan 8.370 nan 0.000 0.495 721 T N 0.873 115.419 114.554 -0.012 0.000 2.853 721 T HA 0.283 4.633 4.350 0.000 0.000 0.298 721 T C 0.116 174.784 174.700 -0.052 0.000 0.978 721 T CA -0.346 61.741 62.100 -0.022 0.000 1.152 721 T CB 0.924 69.780 68.868 -0.020 0.000 0.914 721 T HN -0.271 nan 8.240 nan 0.000 0.539 722 V N 5.615 125.479 119.914 -0.084 0.000 2.513 722 V HA 0.466 4.586 4.120 0.000 0.000 0.299 722 V C 0.202 176.048 176.094 -0.413 0.000 1.035 722 V CA -1.164 61.018 62.300 -0.196 0.000 0.889 722 V CB 1.454 33.180 31.823 -0.162 0.000 0.988 722 V HN 0.816 nan 8.190 nan 0.000 0.440 723 I N 4.092 124.422 120.570 -0.399 0.000 2.498 723 I HA 0.555 4.725 4.170 0.000 0.000 0.301 723 I C 0.141 175.927 176.117 -0.551 0.000 0.984 723 I CA -0.269 60.793 61.300 -0.397 0.000 1.204 723 I CB 1.315 39.219 38.000 -0.160 0.000 1.362 723 I HN 0.664 nan 8.210 nan 0.000 0.471 724 H N 0.000 119.071 119.070 0.001 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.049 56.048 0.002 0.000 1.023 724 H CB 0.000 29.763 29.762 0.001 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496