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 3fcs_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSXXXXQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RcGPGWLGSQ cEcSEEXXXX XXQDEcSPRE GQPVcSQRGE DATA SEQUENCE cLcGQcVcHS SDFGKITGKY cEcDDFScVR YKGEMcSGHG QcScGDcLcD DATA SEQUENCE SDWTGYYcNc TTRTDTcMSS NGLLcSGRGK cEcGScVcIQ PGSYGDTcEK DATA SEQUENCE CPTCPDAcTF KKEcVEcKKF DRGALHDENT cNRYcRDEIE SVKELKDTGK DATA SEQUENCE DAVNcTYKNE DDcVVRFQYY EDSSGKSILY VVEEPEcCKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.897 174.900 -0.004 0.000 0.946 1 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 2 P HA 0.370 nan 4.420 nan 0.000 0.268 2 P C -0.644 176.662 177.300 0.010 0.000 1.205 2 P CA -0.114 62.992 63.100 0.008 0.000 0.771 2 P CB 0.815 32.524 31.700 0.016 0.000 0.858 3 N N 0.540 119.248 118.700 0.014 0.000 3.020 3 N HA 0.148 4.888 4.740 0.000 0.000 0.248 3 N C 0.364 175.888 175.510 0.023 0.000 1.480 3 N CA -0.903 52.157 53.050 0.018 0.000 0.874 3 N CB 0.001 38.496 38.487 0.015 0.000 1.433 3 N HN 0.207 nan 8.380 nan 0.000 0.530 4 I N 0.003 120.589 120.570 0.027 0.000 2.315 4 I HA -0.311 3.859 4.170 0.000 0.000 0.251 4 I C 1.048 177.186 176.117 0.035 0.000 1.125 4 I CA 1.565 62.883 61.300 0.030 0.000 1.392 4 I CB -0.098 37.922 38.000 0.033 0.000 1.065 4 I HN 0.657 nan 8.210 nan 0.000 0.424 5 c N 0.322 118.947 118.600 0.041 0.000 2.462 5 c HA -0.149 4.421 4.570 0.000 0.000 0.278 5 c C 2.945 177.063 174.090 0.046 0.000 1.253 5 c CA 1.465 57.827 56.329 0.055 0.000 1.713 5 c CB -1.559 40.988 42.510 0.062 0.000 2.049 5 c HN 0.660 nan 8.230 nan 0.000 0.477 6 T N -0.001 114.569 114.554 0.027 0.000 2.701 6 T HA -0.157 4.193 4.350 0.000 0.000 0.263 6 T C 1.248 175.952 174.700 0.006 0.000 1.040 6 T CA 2.086 64.194 62.100 0.013 0.000 1.147 6 T CB -1.119 67.750 68.868 0.002 0.000 0.865 6 T HN 0.606 nan 8.240 nan 0.000 0.426 7 T N -0.325 114.233 114.554 0.006 0.000 3.341 7 T HA 0.560 4.910 4.350 0.000 0.000 0.234 7 T C 0.616 175.306 174.700 -0.017 0.000 0.890 7 T CA -0.802 61.292 62.100 -0.010 0.000 0.952 7 T CB -0.045 68.835 68.868 0.020 0.000 1.146 7 T HN 0.415 nan 8.240 nan 0.000 0.591 8 R N -0.234 120.259 120.500 -0.012 0.000 3.724 8 R HA 0.352 4.692 4.340 0.000 0.000 0.097 8 R C 0.751 177.050 176.300 -0.002 0.000 0.873 8 R CA -0.316 55.777 56.100 -0.011 0.000 0.669 8 R CB -0.225 30.079 30.300 0.008 0.000 0.724 8 R HN 0.292 nan 8.270 nan 0.000 0.357 9 G N 2.229 111.046 108.800 0.027 0.000 2.807 9 G HA2 0.365 4.325 3.960 0.000 0.000 0.316 9 G HA3 0.365 4.325 3.960 0.000 0.000 0.316 9 G C 0.215 175.174 174.900 0.099 0.000 0.900 9 G CA -0.157 44.968 45.100 0.042 0.000 1.499 9 G HN 0.181 nan 8.290 nan 0.000 0.484 10 V N 0.506 120.474 119.914 0.089 0.000 2.894 10 V HA 0.406 4.526 4.120 0.000 0.000 0.373 10 V C 0.946 177.135 176.094 0.159 0.000 1.286 10 V CA 0.307 62.699 62.300 0.153 0.000 1.331 10 V CB 0.043 31.908 31.823 0.070 0.000 1.415 10 V HN 0.443 nan 8.190 nan 0.000 0.585 11 S N 1.190 116.967 115.700 0.129 0.000 2.811 11 S HA 0.333 4.803 4.470 0.000 0.000 0.237 11 S C 1.100 175.726 174.600 0.044 0.000 1.038 11 S CA 0.767 59.013 58.200 0.077 0.000 0.881 11 S CB 0.402 63.612 63.200 0.018 0.000 0.815 11 S HN 1.019 nan 8.310 nan 0.000 0.582 12 S N -0.725 114.901 115.700 -0.124 0.000 2.709 12 S HA 0.430 4.900 4.470 0.000 0.000 0.302 12 S C 0.859 174.839 174.600 -1.032 0.000 1.127 12 S CA -0.136 57.815 58.200 -0.416 0.000 0.905 12 S CB 0.671 63.701 63.200 -0.283 0.000 1.151 12 S HN 0.443 nan 8.310 nan 0.000 0.510 13 c N 0.179 117.940 118.600 -1.398 0.000 2.457 13 c HA 0.045 4.615 4.570 0.000 0.000 0.278 13 c C 2.625 176.295 174.090 -0.701 0.000 1.309 13 c CA 1.512 56.820 56.329 -1.701 0.000 1.735 13 c CB -1.560 40.089 42.510 -1.434 0.000 1.992 13 c HN 1.014 nan 8.230 nan 0.000 0.493 14 Q N -0.165 119.362 119.800 -0.454 0.000 2.079 14 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 14 Q C 2.357 178.253 176.000 -0.174 0.000 0.974 14 Q CA 1.666 57.322 55.803 -0.244 0.000 0.840 14 Q CB -0.149 28.480 28.738 -0.181 0.000 0.898 14 Q HN 0.737 nan 8.270 nan 0.000 0.430 15 Q N -0.547 119.146 119.800 -0.179 0.000 2.124 15 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 15 Q C 2.412 178.381 176.000 -0.051 0.000 0.977 15 Q CA 1.370 57.116 55.803 -0.095 0.000 0.850 15 Q CB -0.334 28.358 28.738 -0.078 0.000 0.901 15 Q HN 0.491 nan 8.270 nan 0.000 0.429 16 c N 0.672 119.235 118.600 -0.062 0.000 2.413 16 c HA -0.139 4.432 4.570 0.000 0.000 0.276 16 c C 2.452 176.583 174.090 0.068 0.000 1.236 16 c CA 0.749 57.122 56.329 0.072 0.000 1.735 16 c CB -0.999 41.654 42.510 0.238 0.000 2.031 16 c HN 0.487 nan 8.230 nan 0.000 0.474 17 L N 1.043 122.276 121.223 0.017 0.000 2.141 17 L HA -0.048 4.292 4.340 0.000 0.000 0.209 17 L C 2.936 179.815 176.870 0.015 0.000 1.094 17 L CA 1.502 56.359 54.840 0.028 0.000 0.763 17 L CB -0.812 41.240 42.059 -0.010 0.000 0.908 17 L HN 0.445 nan 8.230 nan 0.000 0.437 18 A N -0.411 122.405 122.820 -0.006 0.000 2.066 18 A HA -0.050 4.271 4.320 0.000 0.000 0.218 18 A C 2.314 179.904 177.584 0.010 0.000 1.157 18 A CA 0.869 52.902 52.037 -0.006 0.000 0.670 18 A CB -0.460 18.527 19.000 -0.023 0.000 0.804 18 A HN 0.188 nan 8.150 nan 0.000 0.453 19 V N -0.937 118.992 119.914 0.024 0.000 2.343 19 V HA -0.030 4.090 4.120 0.000 0.000 0.247 19 V C 1.221 177.338 176.094 0.040 0.000 1.051 19 V CA 1.867 64.186 62.300 0.032 0.000 1.036 19 V CB -0.299 31.552 31.823 0.047 0.000 0.654 19 V HN 0.591 nan 8.190 nan 0.000 0.451 20 S N -2.804 112.928 115.700 0.054 0.000 2.565 20 S HA 0.365 4.835 4.470 0.000 0.000 0.274 20 S C -2.628 172.018 174.600 0.075 0.000 1.144 20 S CA -0.612 57.624 58.200 0.060 0.000 0.849 20 S CB 1.793 65.033 63.200 0.067 0.000 1.103 20 S HN -0.006 nan 8.310 nan 0.000 0.455 21 P HA -0.019 nan 4.420 nan 0.000 0.222 21 P C 1.286 178.665 177.300 0.132 0.000 1.147 21 P CA 1.011 64.144 63.100 0.055 0.000 0.790 21 P CB -0.135 31.588 31.700 0.038 0.000 0.780 22 M N -3.791 115.921 119.600 0.186 0.000 2.502 22 M HA 0.161 4.641 4.480 0.000 0.000 0.243 22 M C -0.121 176.382 176.300 0.337 0.000 1.130 22 M CA 0.483 55.959 55.300 0.294 0.000 1.055 22 M CB -0.650 32.047 32.600 0.162 0.000 1.457 22 M HN -0.272 nan 8.290 nan 0.000 0.488 23 c N 3.336 122.102 118.600 0.278 0.000 2.499 23 c HA 0.770 5.340 4.570 0.000 0.000 0.386 23 c C 1.009 175.322 174.090 0.372 0.000 1.293 23 c CA -0.788 55.682 56.329 0.236 0.000 1.884 23 c CB -0.153 42.460 42.510 0.171 0.000 2.509 23 c HN 0.590 nan 8.230 nan 0.000 0.566 24 A N 4.334 127.314 122.820 0.266 0.000 2.322 24 A HA 0.868 5.189 4.320 0.000 0.000 0.327 24 A C -1.023 176.727 177.584 0.276 0.000 1.134 24 A CA -0.462 51.768 52.037 0.322 0.000 0.831 24 A CB 1.114 20.128 19.000 0.025 0.000 1.288 24 A HN 0.974 nan 8.150 nan 0.000 0.472 25 W N 1.214 122.564 121.300 0.082 0.000 2.785 25 W HA 0.521 5.181 4.660 0.000 0.000 0.333 25 W C -1.645 174.886 176.519 0.020 0.000 1.062 25 W CA -0.836 56.529 57.345 0.034 0.000 1.233 25 W CB 1.698 31.175 29.460 0.028 0.000 1.413 25 W HN 0.818 nan 8.180 nan 0.000 0.489 26 c N 4.530 122.740 118.600 -0.650 0.000 2.298 26 c HA 0.508 5.078 4.570 0.000 0.000 0.323 26 c C 0.887 174.652 174.090 -0.542 0.000 1.284 26 c CA -0.145 55.925 56.329 -0.430 0.000 1.577 26 c CB 0.661 42.965 42.510 -0.343 0.000 2.249 26 c HN 0.624 nan 8.230 nan 0.000 0.497 27 S N 2.607 118.235 115.700 -0.121 0.000 2.556 27 S HA 0.062 4.533 4.470 0.000 0.000 0.216 27 S C 0.105 174.702 174.600 -0.004 0.000 0.970 27 S CA -0.088 58.132 58.200 0.034 0.000 0.912 27 S CB -0.357 62.956 63.200 0.188 0.000 0.790 27 S HN 0.916 nan 8.310 nan 0.000 0.504 28 D N 2.643 123.014 120.400 -0.049 0.000 2.382 28 D HA 0.044 4.685 4.640 0.000 0.000 0.259 28 D C 0.868 177.162 176.300 -0.010 0.000 1.224 28 D CA 0.243 54.232 54.000 -0.019 0.000 0.894 28 D CB 0.630 41.409 40.800 -0.036 0.000 1.127 28 D HN 0.270 nan 8.370 nan 0.000 0.487 29 E N 2.381 122.606 120.200 0.042 0.000 2.268 29 E HA -0.127 4.223 4.350 0.000 0.000 0.195 29 E C 1.473 178.095 176.600 0.037 0.000 0.995 29 E CA 0.684 57.127 56.400 0.073 0.000 0.836 29 E CB 0.128 29.905 29.700 0.128 0.000 0.763 29 E HN 0.543 nan 8.360 nan 0.000 0.491 30 A N 1.106 123.935 122.820 0.016 0.000 2.206 30 A HA 0.026 4.346 4.320 0.000 0.000 0.211 30 A C 1.137 178.713 177.584 -0.013 0.000 1.158 30 A CA -0.131 51.909 52.037 0.004 0.000 0.761 30 A CB -0.310 18.692 19.000 0.003 0.000 0.801 30 A HN 0.228 nan 8.150 nan 0.000 0.473 31 L N 1.425 122.629 121.223 -0.031 0.000 2.578 31 L HA 0.113 4.453 4.340 0.000 0.000 0.279 31 L C -2.131 174.715 176.870 -0.041 0.000 1.227 31 L CA -1.443 53.365 54.840 -0.054 0.000 0.900 31 L CB 0.408 42.409 42.059 -0.097 0.000 1.144 31 L HN 0.093 nan 8.230 nan 0.000 0.496 32 P HA -0.026 nan 4.420 nan 0.000 0.262 32 P C -0.739 176.543 177.300 -0.030 0.000 1.182 32 P CA 0.150 63.233 63.100 -0.028 0.000 0.761 32 P CB 0.295 31.977 31.700 -0.029 0.000 0.795 33 L N 3.146 124.359 121.223 -0.016 0.000 2.600 33 L HA 0.257 4.597 4.340 0.000 0.000 0.278 33 L C 1.604 178.466 176.870 -0.014 0.000 1.139 33 L CA 0.850 55.683 54.840 -0.011 0.000 0.933 33 L CB -0.844 41.217 42.059 0.002 0.000 1.266 33 L HN 0.820 nan 8.230 nan 0.000 0.471 34 G N 1.248 110.034 108.800 -0.023 0.000 3.709 34 G HA2 -0.192 3.768 3.960 0.000 0.000 0.196 34 G HA3 -0.192 3.768 3.960 0.000 0.000 0.196 34 G C 0.278 175.158 174.900 -0.034 0.000 1.177 34 G CA -0.363 44.725 45.100 -0.021 0.000 0.906 34 G HN 0.458 nan 8.290 nan 0.000 0.416 35 S N 3.809 119.483 115.700 -0.044 0.000 2.558 35 S HA 0.432 4.902 4.470 0.000 0.000 0.287 35 S C -1.967 172.586 174.600 -0.080 0.000 1.321 35 S CA 0.076 58.242 58.200 -0.056 0.000 1.048 35 S CB 0.943 64.106 63.200 -0.062 0.000 0.844 35 S HN 0.492 nan 8.310 nan 0.000 0.512 36 P HA 0.214 nan 4.420 nan 0.000 0.276 36 P C 0.117 177.319 177.300 -0.163 0.000 1.243 36 P CA -0.249 62.796 63.100 -0.093 0.000 0.768 36 P CB 0.679 32.343 31.700 -0.060 0.000 0.856 37 R N 2.397 122.750 120.500 -0.246 0.000 2.119 37 R HA 0.028 4.368 4.340 0.000 0.000 0.222 37 R C 0.365 176.379 176.300 -0.478 0.000 1.088 37 R CA 0.615 56.413 56.100 -0.503 0.000 0.984 37 R CB -0.117 29.700 30.300 -0.805 0.000 0.884 37 R HN 0.519 nan 8.270 nan 0.000 0.447 38 c N 1.778 120.275 118.600 -0.172 0.000 2.223 38 c HA 0.435 5.005 4.570 0.000 0.000 0.324 38 c C -0.912 173.195 174.090 0.028 0.000 1.196 38 c CA -0.626 55.746 56.329 0.072 0.000 1.628 38 c CB -0.227 42.448 42.510 0.276 0.000 2.229 38 c HN 0.455 nan 8.230 nan 0.000 0.486 39 D N 2.572 122.978 120.400 0.011 0.000 2.838 39 D HA 0.414 5.054 4.640 0.000 0.000 0.334 39 D C -0.950 175.334 176.300 -0.026 0.000 1.315 39 D CA -0.415 53.578 54.000 -0.012 0.000 0.917 39 D CB 1.005 41.775 40.800 -0.050 0.000 1.435 39 D HN 0.495 nan 8.370 nan 0.000 0.517 40 L N 1.735 122.924 121.223 -0.057 0.000 2.452 40 L HA 0.255 4.595 4.340 0.000 0.000 0.267 40 L C 1.999 178.748 176.870 -0.201 0.000 1.188 40 L CA -0.122 54.646 54.840 -0.120 0.000 0.821 40 L CB 0.555 42.559 42.059 -0.092 0.000 1.102 40 L HN 0.497 nan 8.230 nan 0.000 0.470 41 K N 1.444 121.612 120.400 -0.387 0.000 2.063 41 K HA -0.198 4.122 4.320 0.000 0.000 0.208 41 K C 1.587 178.055 176.600 -0.220 0.000 1.048 41 K CA 1.822 57.873 56.287 -0.393 0.000 0.928 41 K CB 0.121 32.217 32.500 -0.673 0.000 0.713 41 K HN 0.633 nan 8.250 nan 0.000 0.442 42 E N 0.023 120.112 120.200 -0.185 0.000 2.110 42 E HA -0.171 4.179 4.350 0.000 0.000 0.193 42 E C 1.744 178.290 176.600 -0.090 0.000 0.988 42 E CA 1.219 57.551 56.400 -0.114 0.000 0.804 42 E CB -0.032 29.616 29.700 -0.088 0.000 0.745 42 E HN 0.359 nan 8.360 nan 0.000 0.458 43 N N 0.526 119.171 118.700 -0.092 0.000 2.216 43 N HA -0.066 4.674 4.740 0.000 0.000 0.183 43 N C 1.832 177.295 175.510 -0.079 0.000 1.017 43 N CA 0.658 53.664 53.050 -0.073 0.000 0.861 43 N CB -0.159 38.289 38.487 -0.064 0.000 0.986 43 N HN 0.119 nan 8.380 nan 0.000 0.428 44 L N 0.332 121.496 121.223 -0.098 0.000 2.046 44 L HA -0.090 4.250 4.340 0.000 0.000 0.208 44 L C 2.036 178.856 176.870 -0.083 0.000 1.077 44 L CA 0.893 55.673 54.840 -0.101 0.000 0.747 44 L CB -0.464 41.526 42.059 -0.115 0.000 0.896 44 L HN 0.146 nan 8.230 nan 0.000 0.432 45 L N -0.331 120.845 121.223 -0.079 0.000 2.083 45 L HA -0.218 4.122 4.340 0.000 0.000 0.209 45 L C 2.479 179.319 176.870 -0.050 0.000 1.083 45 L CA 1.327 56.131 54.840 -0.061 0.000 0.752 45 L CB -0.415 41.608 42.059 -0.060 0.000 0.899 45 L HN 0.202 nan 8.230 nan 0.000 0.433 46 K N -0.353 120.016 120.400 -0.052 0.000 2.442 46 K HA -0.120 4.201 4.320 0.000 0.000 0.198 46 K C 0.351 176.926 176.600 -0.041 0.000 1.042 46 K CA 0.739 57.001 56.287 -0.042 0.000 0.958 46 K CB -0.002 32.474 32.500 -0.040 0.000 0.766 46 K HN 0.205 nan 8.250 nan 0.000 0.474 47 D N 0.309 120.680 120.400 -0.049 0.000 2.427 47 D HA 0.003 4.643 4.640 0.000 0.000 0.224 47 D C -0.442 175.830 176.300 -0.046 0.000 1.157 47 D CA -0.001 53.971 54.000 -0.048 0.000 0.828 47 D CB -0.207 40.558 40.800 -0.059 0.000 0.974 47 D HN 0.012 nan 8.370 nan 0.000 0.498 48 N N 0.355 119.031 118.700 -0.041 0.000 2.727 48 N HA -0.234 4.506 4.740 0.000 0.000 0.249 48 N C -0.590 174.897 175.510 -0.038 0.000 1.048 48 N CA 0.188 53.218 53.050 -0.034 0.000 0.714 48 N CB -1.661 36.810 38.487 -0.026 0.000 0.959 48 N HN 0.319 nan 8.380 nan 0.000 0.544 49 c N 0.630 119.200 118.600 -0.050 0.000 2.637 49 c HA 0.639 5.209 4.570 0.000 0.000 0.418 49 c C 1.402 175.471 174.090 -0.035 0.000 1.319 49 c CA -0.209 56.087 56.329 -0.055 0.000 1.949 49 c CB -1.186 41.276 42.510 -0.080 0.000 2.639 49 c HN 0.656 nan 8.230 nan 0.000 0.594 50 A N 8.289 131.094 122.820 -0.025 0.000 2.526 50 A HA 0.293 4.613 4.320 0.000 0.000 0.267 50 A C -1.086 176.497 177.584 -0.001 0.000 1.095 50 A CA -0.524 51.509 52.037 -0.008 0.000 0.775 50 A CB -0.259 18.742 19.000 0.001 0.000 1.036 50 A HN 0.844 nan 8.150 nan 0.000 0.510 51 P HA -0.279 nan 4.420 nan 0.000 0.216 51 P C 1.312 178.629 177.300 0.028 0.000 1.157 51 P CA 2.060 65.167 63.100 0.011 0.000 0.880 51 P CB 0.104 31.810 31.700 0.010 0.000 0.791 52 E N -0.901 119.316 120.200 0.027 0.000 2.338 52 E HA -0.120 4.230 4.350 0.000 0.000 0.197 52 E C 1.883 178.511 176.600 0.047 0.000 1.007 52 E CA 1.236 57.658 56.400 0.036 0.000 0.849 52 E CB -0.738 28.980 29.700 0.031 0.000 0.774 52 E HN 0.112 nan 8.360 nan 0.000 0.506 53 S N 0.107 115.831 115.700 0.041 0.000 2.527 53 S HA 0.093 4.563 4.470 0.000 0.000 0.222 53 S C 0.850 175.493 174.600 0.071 0.000 0.985 53 S CA -0.437 57.794 58.200 0.051 0.000 0.921 53 S CB -0.301 62.915 63.200 0.028 0.000 0.772 53 S HN 0.251 nan 8.310 nan 0.000 0.529 54 I N 3.007 123.616 120.570 0.064 0.000 2.452 54 I HA 0.153 4.323 4.170 0.000 0.000 0.287 54 I C -0.042 176.169 176.117 0.157 0.000 1.079 54 I CA -0.027 61.327 61.300 0.090 0.000 1.387 54 I CB 0.630 38.666 38.000 0.059 0.000 1.404 54 I HN 0.194 nan 8.210 nan 0.000 0.522 55 E N 7.319 127.656 120.200 0.229 0.000 2.046 55 E HA 0.221 4.571 4.350 0.000 0.000 0.279 55 E C -1.075 175.712 176.600 0.312 0.000 0.989 55 E CA -0.243 56.300 56.400 0.238 0.000 0.798 55 E CB 1.425 31.275 29.700 0.250 0.000 1.086 55 E HN 0.371 nan 8.360 nan 0.000 0.399 56 F N 5.637 125.631 119.950 0.072 0.000 3.050 56 F HA 0.251 4.778 4.527 0.000 0.000 0.382 56 F C -2.442 173.383 175.800 0.041 0.000 1.246 56 F CA -2.025 56.010 58.000 0.059 0.000 1.217 56 F CB 0.949 39.979 39.000 0.051 0.000 1.795 56 F HN 0.158 nan 8.300 nan 0.000 0.622 57 P HA 0.416 nan 4.420 nan 0.000 0.278 57 P C -1.150 175.876 177.300 -0.457 0.000 1.238 57 P CA -0.199 62.751 63.100 -0.251 0.000 0.794 57 P CB 2.303 33.922 31.700 -0.135 0.000 0.955 58 V N 1.575 121.311 119.914 -0.296 0.000 2.540 58 V HA 0.208 4.328 4.120 0.000 0.000 0.302 58 V C 0.421 176.435 176.094 -0.133 0.000 1.035 58 V CA -0.600 61.544 62.300 -0.259 0.000 0.873 58 V CB 1.765 33.484 31.823 -0.173 0.000 0.992 58 V HN 0.597 nan 8.190 nan 0.000 0.428 59 S N 3.991 119.630 115.700 -0.102 0.000 2.572 59 S HA 0.386 4.856 4.470 0.000 0.000 0.279 59 S C -0.060 174.513 174.600 -0.044 0.000 1.341 59 S CA -0.372 57.794 58.200 -0.058 0.000 1.043 59 S CB 0.373 63.556 63.200 -0.028 0.000 0.887 59 S HN 0.946 nan 8.310 nan 0.000 0.516 60 E N -0.160 120.011 120.200 -0.047 0.000 2.458 60 E HA 0.744 5.094 4.350 0.000 0.000 0.278 60 E C -1.642 174.918 176.600 -0.065 0.000 1.004 60 E CA -1.482 54.892 56.400 -0.043 0.000 0.823 60 E CB 1.606 31.279 29.700 -0.045 0.000 1.396 60 E HN 0.500 nan 8.360 nan 0.000 0.463 61 A N 1.704 124.486 122.820 -0.064 0.000 2.815 61 A HA 0.399 4.720 4.320 0.000 0.000 0.318 61 A C -0.681 176.844 177.584 -0.098 0.000 1.186 61 A CA -0.627 51.341 52.037 -0.115 0.000 0.754 61 A CB 0.408 19.337 19.000 -0.118 0.000 1.151 61 A HN 0.532 nan 8.150 nan 0.000 0.452 62 R N 2.065 122.504 120.500 -0.102 0.000 2.316 62 R HA 0.415 4.755 4.340 0.000 0.000 0.314 62 R C -0.734 175.510 176.300 -0.093 0.000 1.069 62 R CA -0.143 55.909 56.100 -0.080 0.000 0.959 62 R CB 0.531 30.788 30.300 -0.072 0.000 0.987 62 R HN 0.343 nan 8.270 nan 0.000 0.446 63 V N 7.663 127.537 119.914 -0.067 0.000 2.479 63 V HA -0.012 4.109 4.120 0.000 0.000 0.281 63 V C 1.342 177.400 176.094 -0.059 0.000 1.031 63 V CA 0.163 62.425 62.300 -0.063 0.000 1.038 63 V CB 1.036 32.838 31.823 -0.035 0.000 0.981 63 V HN 0.850 nan 8.190 nan 0.000 0.478 64 L N 3.330 124.512 121.223 -0.070 0.000 2.189 64 L HA 0.274 4.615 4.340 0.000 0.000 0.199 64 L C 0.805 177.648 176.870 -0.045 0.000 1.074 64 L CA 0.776 55.581 54.840 -0.060 0.000 0.783 64 L CB 0.028 42.044 42.059 -0.072 0.000 0.955 64 L HN 0.587 nan 8.230 nan 0.000 0.460 65 E N 0.296 120.469 120.200 -0.045 0.000 2.187 65 E HA 0.254 4.605 4.350 0.000 0.000 0.268 65 E C -1.113 175.471 176.600 -0.025 0.000 0.896 65 E CA -0.233 56.147 56.400 -0.032 0.000 0.766 65 E CB 2.161 31.842 29.700 -0.032 0.000 1.142 65 E HN -0.065 nan 8.360 nan 0.000 0.408 66 D N 2.530 122.919 120.400 -0.019 0.000 2.968 66 D HA 0.098 4.739 4.640 0.000 0.000 0.301 66 D C -0.985 175.308 176.300 -0.012 0.000 1.226 66 D CA -0.389 53.603 54.000 -0.014 0.000 0.746 66 D CB 0.244 41.036 40.800 -0.012 0.000 1.278 66 D HN 0.223 nan 8.370 nan 0.000 0.544 67 R N 1.654 122.146 120.500 -0.013 0.000 2.347 67 R HA 0.371 4.711 4.340 0.000 0.000 0.304 67 R C -2.183 174.108 176.300 -0.015 0.000 1.072 67 R CA -1.361 54.731 56.100 -0.012 0.000 0.980 67 R CB 0.567 30.860 30.300 -0.011 0.000 0.986 67 R HN 0.138 nan 8.270 nan 0.000 0.448 68 P HA -0.027 nan 4.420 nan 0.000 0.269 68 P C -0.261 177.024 177.300 -0.025 0.000 1.215 68 P CA 0.012 63.101 63.100 -0.019 0.000 0.780 68 P CB 0.533 32.224 31.700 -0.016 0.000 0.898 69 L N 0.757 121.960 121.223 -0.034 0.000 2.452 69 L HA 0.171 4.511 4.340 0.000 0.000 0.267 69 L C 0.936 177.784 176.870 -0.038 0.000 1.188 69 L CA -0.059 54.752 54.840 -0.047 0.000 0.821 69 L CB 0.150 42.170 42.059 -0.064 0.000 1.102 69 L HN 0.360 nan 8.230 nan 0.000 0.470 70 S N 0.129 115.805 115.700 -0.041 0.000 2.601 70 S HA 0.113 4.584 4.470 0.000 0.000 0.271 70 S C 0.142 174.730 174.600 -0.020 0.000 1.305 70 S CA -0.733 57.455 58.200 -0.020 0.000 1.022 70 S CB 1.286 64.484 63.200 -0.003 0.000 0.940 70 S HN 0.558 nan 8.310 nan 0.000 0.525 71 D N 0.621 121.018 120.400 -0.004 0.000 2.338 71 D HA 0.149 4.789 4.640 0.000 0.000 0.208 71 D C -0.079 176.230 176.300 0.014 0.000 0.997 71 D CA 0.825 54.824 54.000 -0.002 0.000 0.880 71 D CB 0.337 41.137 40.800 0.000 0.000 0.980 71 D HN 0.192 nan 8.370 nan 0.000 0.509 72 K N 0.243 120.661 120.400 0.029 0.000 2.513 72 K HA 0.441 4.761 4.320 0.000 0.000 0.251 72 K C -0.112 176.535 176.600 0.080 0.000 0.939 72 K CA -0.602 55.715 56.287 0.051 0.000 0.793 72 K CB 2.355 34.880 32.500 0.041 0.000 1.241 72 K HN -0.112 nan 8.250 nan 0.000 0.431 73 G N 1.509 110.386 108.800 0.128 0.000 3.102 73 G HA2 0.269 4.229 3.960 0.000 0.000 0.264 73 G HA3 0.269 4.229 3.960 0.000 0.000 0.264 73 G C -0.281 174.688 174.900 0.115 0.000 0.788 73 G CA 0.217 45.436 45.100 0.198 0.000 2.029 73 G HN 0.340 nan 8.290 nan 0.000 0.608 80 V N 2.448 122.418 119.914 0.092 0.000 2.655 80 V HA 0.387 4.507 4.120 0.000 0.000 0.300 80 V C -0.094 176.025 176.094 0.042 0.000 1.044 80 V CA 0.527 62.883 62.300 0.093 0.000 1.095 80 V CB 1.040 32.988 31.823 0.208 0.000 0.952 80 V HN 0.772 nan 8.190 nan 0.000 0.485 81 T N 5.273 119.821 114.554 -0.011 0.000 2.812 81 T HA 0.411 4.761 4.350 0.000 0.000 0.282 81 T C 0.298 174.928 174.700 -0.117 0.000 0.990 81 T CA -0.433 61.638 62.100 -0.049 0.000 0.960 81 T CB 1.682 70.531 68.868 -0.032 0.000 0.948 81 T HN 0.750 nan 8.240 nan 0.000 0.438 82 Q N 1.173 120.866 119.800 -0.178 0.000 2.140 82 Q HA 0.328 4.668 4.340 0.000 0.000 0.227 82 Q C -0.483 175.391 176.000 -0.209 0.000 0.798 82 Q CA -0.014 55.622 55.803 -0.279 0.000 0.987 82 Q CB 1.364 29.765 28.738 -0.562 0.000 1.161 82 Q HN 0.364 nan 8.270 nan 0.000 0.480 83 V N 0.712 120.553 119.914 -0.122 0.000 2.488 83 V HA 0.422 4.542 4.120 0.000 0.000 0.293 83 V C -0.989 175.088 176.094 -0.028 0.000 1.027 83 V CA -0.562 61.702 62.300 -0.061 0.000 0.862 83 V CB 1.832 33.633 31.823 -0.038 0.000 1.008 83 V HN -0.030 nan 8.190 nan 0.000 0.428 84 S N 6.994 122.688 115.700 -0.011 0.000 2.557 84 S HA 0.751 5.221 4.470 0.000 0.000 0.291 84 S C -2.863 171.753 174.600 0.027 0.000 1.116 84 S CA -1.337 56.862 58.200 -0.000 0.000 0.992 84 S CB 2.477 65.669 63.200 -0.014 0.000 1.028 84 S HN 0.542 nan 8.310 nan 0.000 0.484 85 P HA 0.344 nan 4.420 nan 0.000 0.276 85 P C -0.314 176.992 177.300 0.009 0.000 1.244 85 P CA -0.266 62.844 63.100 0.016 0.000 0.801 85 P CB 0.814 32.523 31.700 0.016 0.000 1.006 86 Q N -0.206 119.587 119.800 -0.011 0.000 2.204 86 Q HA 0.128 4.469 4.340 0.000 0.000 0.198 86 Q C 0.947 176.923 176.000 -0.039 0.000 0.946 86 Q CA 1.208 57.000 55.803 -0.018 0.000 0.859 86 Q CB 0.244 28.970 28.738 -0.019 0.000 0.946 86 Q HN 0.379 nan 8.270 nan 0.000 0.474 87 R N -0.002 120.464 120.500 -0.056 0.000 2.651 87 R HA 0.592 4.932 4.340 0.000 0.000 0.278 87 R C -1.633 174.595 176.300 -0.119 0.000 1.010 87 R CA -0.393 55.650 56.100 -0.095 0.000 0.896 87 R CB 1.178 31.427 30.300 -0.086 0.000 1.211 87 R HN 0.057 nan 8.270 nan 0.000 0.456 88 I N 2.610 123.067 120.570 -0.188 0.000 2.534 88 I HA 0.349 4.519 4.170 0.000 0.000 0.288 88 I C -0.484 175.473 176.117 -0.266 0.000 1.077 88 I CA -0.902 60.260 61.300 -0.231 0.000 1.051 88 I CB 2.195 39.996 38.000 -0.332 0.000 1.234 88 I HN 0.730 nan 8.210 nan 0.000 0.425 89 A N 7.050 129.745 122.820 -0.209 0.000 2.415 89 A HA 0.505 4.825 4.320 0.000 0.000 0.309 89 A C -0.668 176.785 177.584 -0.219 0.000 1.356 89 A CA -0.230 51.688 52.037 -0.199 0.000 0.998 89 A CB 0.054 18.968 19.000 -0.144 0.000 1.145 89 A HN 0.552 nan 8.150 nan 0.000 0.545 90 L N 2.355 123.419 121.223 -0.265 0.000 2.375 90 L HA 0.627 4.967 4.340 0.000 0.000 0.271 90 L C 0.450 177.198 176.870 -0.204 0.000 1.107 90 L CA 0.100 54.793 54.840 -0.244 0.000 0.806 90 L CB 0.932 42.829 42.059 -0.271 0.000 1.146 90 L HN 0.702 nan 8.230 nan 0.000 0.447 91 R N 4.646 125.053 120.500 -0.155 0.000 2.512 91 R HA 0.595 4.935 4.340 0.000 0.000 0.291 91 R C -1.991 174.258 176.300 -0.085 0.000 1.097 91 R CA -0.489 55.525 56.100 -0.143 0.000 0.940 91 R CB 0.859 31.090 30.300 -0.116 0.000 1.198 91 R HN 0.701 nan 8.270 nan 0.000 0.429 92 L N 3.870 125.059 121.223 -0.058 0.000 2.323 92 L HA 0.678 5.018 4.340 0.000 0.000 0.265 92 L C 0.059 176.973 176.870 0.074 0.000 1.012 92 L CA -1.133 53.725 54.840 0.030 0.000 0.820 92 L CB 2.104 44.225 42.059 0.104 0.000 1.334 92 L HN 0.621 nan 8.230 nan 0.000 0.427 93 R N 0.517 121.045 120.500 0.047 0.000 2.856 93 R HA 0.655 4.995 4.340 0.000 0.000 0.258 93 R C -2.774 173.556 176.300 0.051 0.000 1.066 93 R CA -2.073 54.049 56.100 0.036 0.000 1.045 93 R CB 0.441 30.722 30.300 -0.032 0.000 1.178 93 R HN 0.149 nan 8.270 nan 0.000 0.499 94 P HA -0.050 nan 4.420 nan 0.000 0.261 94 P C -0.869 176.442 177.300 0.019 0.000 1.183 94 P CA 0.735 63.844 63.100 0.014 0.000 0.761 94 P CB 0.174 31.872 31.700 -0.003 0.000 0.785 95 D N -0.337 120.074 120.400 0.019 0.000 2.983 95 D HA -0.202 4.438 4.640 0.000 0.000 0.225 95 D C -0.006 176.315 176.300 0.036 0.000 1.174 95 D CA 1.410 55.425 54.000 0.024 0.000 0.831 95 D CB -0.830 39.981 40.800 0.018 0.000 1.104 95 D HN 0.443 nan 8.370 nan 0.000 0.421 96 D N -0.673 119.753 120.400 0.045 0.000 2.272 96 D HA 0.559 5.199 4.640 0.000 0.000 0.247 96 D C -0.179 176.154 176.300 0.054 0.000 0.990 96 D CA -0.337 53.688 54.000 0.042 0.000 0.931 96 D CB 1.298 42.114 40.800 0.027 0.000 1.195 96 D HN 0.017 nan 8.370 nan 0.000 0.477 97 S N 1.037 116.765 115.700 0.047 0.000 2.689 97 S HA 0.850 5.320 4.470 0.000 0.000 0.306 97 S C -0.729 173.904 174.600 0.055 0.000 1.104 97 S CA -0.819 57.413 58.200 0.054 0.000 0.973 97 S CB 2.240 65.464 63.200 0.040 0.000 1.121 97 S HN 0.368 nan 8.310 nan 0.000 0.523 98 K N 1.073 121.520 120.400 0.078 0.000 2.557 98 K HA 0.377 4.697 4.320 0.000 0.000 0.257 98 K C -1.784 174.916 176.600 0.166 0.000 0.933 98 K CA -0.383 55.962 56.287 0.096 0.000 0.820 98 K CB 1.342 33.889 32.500 0.077 0.000 1.330 98 K HN 0.909 nan 8.250 nan 0.000 0.432 99 N N 2.743 121.528 118.700 0.142 0.000 2.430 99 N HA 0.673 5.413 4.740 0.000 0.000 0.298 99 N C -0.886 174.777 175.510 0.254 0.000 1.130 99 N CA -0.315 52.809 53.050 0.123 0.000 0.894 99 N CB 1.173 39.660 38.487 0.002 0.000 1.209 99 N HN 0.420 nan 8.380 nan 0.000 0.503 100 F N -2.154 117.787 119.950 -0.015 0.000 2.703 100 F HA 0.559 5.086 4.527 0.000 0.000 0.308 100 F C -0.888 174.921 175.800 0.014 0.000 1.126 100 F CA -1.152 56.846 58.000 -0.003 0.000 0.959 100 F CB 0.724 39.720 39.000 -0.006 0.000 1.297 100 F HN 0.547 nan 8.300 nan 0.000 0.441 101 S N 2.546 118.298 115.700 0.086 0.000 2.651 101 S HA 0.867 5.338 4.470 0.000 0.000 0.291 101 S C -0.926 173.741 174.600 0.112 0.000 1.141 101 S CA -0.657 57.555 58.200 0.020 0.000 1.027 101 S CB 2.009 65.225 63.200 0.025 0.000 1.043 101 S HN 1.123 nan 8.310 nan 0.000 0.530 102 I N 0.294 120.928 120.570 0.106 0.000 2.722 102 I HA 0.393 4.563 4.170 0.000 0.000 0.295 102 I C -1.659 174.535 176.117 0.128 0.000 1.161 102 I CA -0.680 60.711 61.300 0.151 0.000 1.032 102 I CB 2.105 40.225 38.000 0.202 0.000 1.244 102 I HN 0.769 nan 8.210 nan 0.000 0.421 103 Q N 6.411 126.259 119.800 0.079 0.000 2.401 103 Q HA 0.428 4.768 4.340 0.000 0.000 0.260 103 Q C -1.295 174.715 176.000 0.017 0.000 1.034 103 Q CA -0.679 55.136 55.803 0.020 0.000 0.737 103 Q CB 2.448 31.175 28.738 -0.018 0.000 1.227 103 Q HN 0.445 nan 8.270 nan 0.000 0.488 104 V N 2.753 122.698 119.914 0.051 0.000 2.567 104 V HA 0.532 4.652 4.120 0.000 0.000 0.289 104 V C 0.075 176.129 176.094 -0.067 0.000 1.049 104 V CA -0.427 61.881 62.300 0.013 0.000 0.969 104 V CB 1.466 33.371 31.823 0.137 0.000 0.995 104 V HN 0.665 nan 8.190 nan 0.000 0.471 105 R N 2.920 123.332 120.500 -0.146 0.000 2.572 105 R HA 0.290 4.630 4.340 0.000 0.000 0.273 105 R C -1.303 174.843 176.300 -0.256 0.000 1.168 105 R CA -0.560 55.444 56.100 -0.159 0.000 1.021 105 R CB 1.475 31.699 30.300 -0.126 0.000 1.249 105 R HN 0.808 nan 8.270 nan 0.000 0.423 106 Q N 3.039 122.708 119.800 -0.218 0.000 2.337 106 Q HA 0.172 4.512 4.340 0.000 0.000 0.255 106 Q C 0.062 175.962 176.000 -0.165 0.000 0.997 106 Q CA -0.328 55.321 55.803 -0.256 0.000 0.925 106 Q CB 2.023 30.701 28.738 -0.101 0.000 1.212 106 Q HN 0.400 nan 8.270 nan 0.000 0.436 107 V N 3.108 122.894 119.914 -0.213 0.000 2.872 107 V HA -0.033 4.087 4.120 0.000 0.000 0.307 107 V C 0.180 176.289 176.094 0.024 0.000 1.072 107 V CA 0.229 62.478 62.300 -0.085 0.000 1.148 107 V CB 1.281 33.060 31.823 -0.073 0.000 0.954 107 V HN 0.797 nan 8.190 nan 0.000 0.490 108 E N 4.513 124.742 120.200 0.049 0.000 2.343 108 E HA 0.097 4.447 4.350 0.000 0.000 0.269 108 E C 0.377 177.058 176.600 0.135 0.000 1.047 108 E CA 0.098 56.549 56.400 0.085 0.000 0.874 108 E CB 0.395 30.127 29.700 0.054 0.000 1.033 108 E HN 0.897 nan 8.360 nan 0.000 0.409 109 D N 2.374 122.870 120.400 0.161 0.000 2.723 109 D HA -0.254 4.386 4.640 0.000 0.000 0.236 109 D C -1.327 175.096 176.300 0.205 0.000 1.138 109 D CA 0.514 54.608 54.000 0.157 0.000 0.676 109 D CB -0.848 40.011 40.800 0.099 0.000 1.069 109 D HN 0.381 nan 8.370 nan 0.000 0.430 110 Y N 0.327 120.701 120.300 0.123 0.000 2.346 110 Y HA 0.376 4.926 4.550 0.000 0.000 0.330 110 Y C -1.863 174.106 175.900 0.115 0.000 1.178 110 Y CA -1.642 56.535 58.100 0.129 0.000 1.331 110 Y CB 0.661 39.234 38.460 0.189 0.000 1.253 110 Y HN -0.017 nan 8.280 nan 0.000 0.529 111 P HA 0.103 nan 4.420 nan 0.000 0.269 111 P C -1.327 175.882 177.300 -0.153 0.000 1.209 111 P CA 0.166 63.124 63.100 -0.238 0.000 0.776 111 P CB 0.667 32.184 31.700 -0.305 0.000 0.876 112 V N 2.798 122.668 119.914 -0.072 0.000 2.789 112 V HA 0.380 4.500 4.120 0.000 0.000 0.311 112 V C -0.472 175.636 176.094 0.024 0.000 1.073 112 V CA -0.509 61.770 62.300 -0.035 0.000 0.921 112 V CB 2.335 34.058 31.823 -0.166 0.000 1.009 112 V HN 0.414 nan 8.190 nan 0.000 0.426 113 D N 3.103 123.590 120.400 0.146 0.000 2.252 113 D HA 0.685 5.325 4.640 0.000 0.000 0.245 113 D C -0.682 175.772 176.300 0.257 0.000 1.009 113 D CA -0.121 54.014 54.000 0.225 0.000 0.870 113 D CB 2.403 43.465 40.800 0.437 0.000 1.251 113 D HN 0.354 nan 8.370 nan 0.000 0.460 114 I N 2.366 123.044 120.570 0.179 0.000 2.517 114 I HA 0.148 4.318 4.170 0.000 0.000 0.280 114 I C -1.325 174.935 176.117 0.238 0.000 1.061 114 I CA -0.859 60.564 61.300 0.205 0.000 1.091 114 I CB 1.261 39.310 38.000 0.083 0.000 1.205 114 I HN 0.230 nan 8.210 nan 0.000 0.459 115 Y N 6.099 126.515 120.300 0.194 0.000 2.320 115 Y HA 0.310 4.860 4.550 0.000 0.000 0.334 115 Y C -0.946 175.133 175.900 0.298 0.000 1.055 115 Y CA -0.425 57.785 58.100 0.183 0.000 1.143 115 Y CB 1.149 39.656 38.460 0.079 0.000 1.193 115 Y HN 0.434 nan 8.280 nan 0.000 0.477 116 Y N 7.294 127.445 120.300 -0.249 0.000 2.841 116 Y HA 0.365 4.915 4.550 0.000 0.000 0.329 116 Y C -0.966 174.802 175.900 -0.220 0.000 1.062 116 Y CA -0.651 57.425 58.100 -0.040 0.000 1.281 116 Y CB 0.104 38.728 38.460 0.274 0.000 1.147 116 Y HN 0.575 nan 8.280 nan 0.000 0.521 117 L N 6.460 127.649 121.223 -0.057 0.000 2.456 117 L HA 0.207 4.547 4.340 0.000 0.000 0.277 117 L C -0.163 176.715 176.870 0.013 0.000 1.124 117 L CA 0.437 55.364 54.840 0.145 0.000 0.880 117 L CB 0.337 42.662 42.059 0.443 0.000 1.192 117 L HN 0.615 nan 8.230 nan 0.000 0.463 118 M N 4.035 123.601 119.600 -0.056 0.000 2.253 118 M HA 0.240 4.720 4.480 0.000 0.000 0.314 118 M C -0.744 175.189 176.300 -0.612 0.000 1.019 118 M CA -0.798 54.380 55.300 -0.203 0.000 0.932 118 M CB 1.753 34.393 32.600 0.066 0.000 1.606 118 M HN 0.363 nan 8.290 nan 0.000 0.430 119 D N 4.780 124.675 120.400 -0.841 0.000 2.417 119 D HA 0.134 4.774 4.640 0.000 0.000 0.250 119 D C -0.576 175.465 176.300 -0.432 0.000 1.166 119 D CA 0.365 53.747 54.000 -1.029 0.000 0.881 119 D CB 0.590 41.053 40.800 -0.561 0.000 1.164 119 D HN 0.678 nan 8.370 nan 0.000 0.467 120 L N 3.440 124.458 121.223 -0.342 0.000 3.168 120 L HA 0.129 4.469 4.340 0.000 0.000 0.277 120 L C 0.665 177.494 176.870 -0.068 0.000 1.308 120 L CA -0.469 54.322 54.840 -0.082 0.000 0.976 120 L CB 0.130 42.259 42.059 0.118 0.000 1.383 120 L HN 0.286 nan 8.230 nan 0.000 0.572 121 S N -2.073 113.576 115.700 -0.085 0.000 2.655 121 S HA 0.072 4.543 4.470 0.000 0.000 0.265 121 S C 0.992 175.641 174.600 0.082 0.000 1.240 121 S CA -0.384 57.822 58.200 0.010 0.000 0.986 121 S CB 0.811 64.026 63.200 0.025 0.000 0.985 121 S HN 0.273 nan 8.310 nan 0.000 0.562 122 Y N 1.806 122.117 120.300 0.019 0.000 2.193 122 Y HA -0.179 4.371 4.550 0.000 0.000 0.285 122 Y C 2.727 178.642 175.900 0.025 0.000 1.166 122 Y CA 1.968 60.086 58.100 0.029 0.000 1.181 122 Y CB -0.845 37.638 38.460 0.038 0.000 0.976 122 Y HN 0.824 nan 8.280 nan 0.000 0.520 123 S N -1.153 114.560 115.700 0.021 0.000 2.507 123 S HA -0.104 4.367 4.470 0.000 0.000 0.235 123 S C 1.374 175.926 174.600 -0.079 0.000 0.988 123 S CA 0.952 59.125 58.200 -0.044 0.000 0.944 123 S CB -0.346 62.872 63.200 0.030 0.000 0.762 123 S HN 0.353 nan 8.310 nan 0.000 0.526 124 M N 0.998 120.557 119.600 -0.069 0.000 2.549 124 M HA 0.338 4.819 4.480 0.000 0.000 0.273 124 M C 1.477 177.751 176.300 -0.044 0.000 1.213 124 M CA 0.079 55.354 55.300 -0.043 0.000 0.976 124 M CB -0.340 32.239 32.600 -0.035 0.000 1.457 124 M HN 0.424 nan 8.290 nan 0.000 0.485 125 K N 1.735 122.060 120.400 -0.125 0.000 2.025 125 K HA -0.173 4.147 4.320 0.000 0.000 0.207 125 K C 1.415 177.996 176.600 -0.031 0.000 1.049 125 K CA 1.967 58.185 56.287 -0.114 0.000 0.933 125 K CB 0.152 32.483 32.500 -0.282 0.000 0.714 125 K HN 0.352 nan 8.250 nan 0.000 0.438 126 D N 0.330 120.702 120.400 -0.047 0.000 2.264 126 D HA -0.179 4.461 4.640 0.000 0.000 0.208 126 D C 0.912 177.272 176.300 0.100 0.000 0.966 126 D CA 1.131 55.144 54.000 0.022 0.000 0.864 126 D CB -0.407 40.384 40.800 -0.016 0.000 0.933 126 D HN 0.232 nan 8.370 nan 0.000 0.499 127 D N 0.436 120.877 120.400 0.067 0.000 2.178 127 D HA -0.015 4.625 4.640 0.000 0.000 0.202 127 D C 2.206 178.571 176.300 0.108 0.000 0.974 127 D CA 0.376 54.431 54.000 0.090 0.000 0.841 127 D CB -0.187 40.658 40.800 0.074 0.000 0.953 127 D HN 0.249 nan 8.370 nan 0.000 0.478 128 L N -0.247 121.037 121.223 0.103 0.000 2.141 128 L HA -0.095 4.246 4.340 0.000 0.000 0.209 128 L C 2.293 179.216 176.870 0.088 0.000 1.094 128 L CA 0.711 55.598 54.840 0.078 0.000 0.763 128 L CB -0.217 41.884 42.059 0.069 0.000 0.908 128 L HN 0.320 nan 8.230 nan 0.000 0.437 129 W N 1.080 122.361 121.300 -0.033 0.000 2.388 129 W HA -0.195 4.466 4.660 0.000 0.000 0.294 129 W C 2.480 178.983 176.519 -0.026 0.000 1.212 129 W CA 1.803 59.127 57.345 -0.034 0.000 1.271 129 W CB -0.026 29.415 29.460 -0.031 0.000 1.126 129 W HN 0.294 nan 8.180 nan 0.000 0.535 130 S N -0.224 115.539 115.700 0.106 0.000 2.522 130 S HA -0.029 4.441 4.470 0.000 0.000 0.227 130 S C 1.484 176.055 174.600 -0.048 0.000 0.986 130 S CA 0.599 58.810 58.200 0.019 0.000 0.929 130 S CB -0.537 62.722 63.200 0.098 0.000 0.769 130 S HN 0.291 nan 8.310 nan 0.000 0.529 131 I N 2.131 122.669 120.570 -0.052 0.000 3.883 131 I HA -0.022 4.148 4.170 0.000 0.000 0.326 131 I C 2.553 178.589 176.117 -0.135 0.000 1.283 131 I CA 0.080 61.338 61.300 -0.070 0.000 1.161 131 I CB -0.119 37.865 38.000 -0.027 0.000 1.012 131 I HN 0.432 nan 8.210 nan 0.000 0.421 132 Q N 0.950 120.620 119.800 -0.218 0.000 2.133 132 Q HA -0.244 4.097 4.340 0.000 0.000 0.208 132 Q C 0.793 176.674 176.000 -0.199 0.000 0.991 132 Q CA 1.866 57.506 55.803 -0.271 0.000 0.867 132 Q CB -0.351 28.118 28.738 -0.448 0.000 0.911 132 Q HN 0.367 nan 8.270 nan 0.000 0.417 133 N N -0.051 118.546 118.700 -0.171 0.000 2.187 133 N HA 0.180 4.920 4.740 0.000 0.000 0.212 133 N C -0.494 174.960 175.510 -0.094 0.000 1.152 133 N CA -0.295 52.681 53.050 -0.123 0.000 0.872 133 N CB 0.460 38.866 38.487 -0.134 0.000 1.025 133 N HN 0.161 nan 8.380 nan 0.000 0.514 134 L N 0.114 121.285 121.223 -0.087 0.000 2.483 134 L HA 0.353 4.693 4.340 0.000 0.000 0.276 134 L C 1.413 178.164 176.870 -0.199 0.000 1.213 134 L CA 1.352 56.110 54.840 -0.137 0.000 0.843 134 L CB 0.116 42.080 42.059 -0.158 0.000 1.107 134 L HN 0.417 nan 8.230 nan 0.000 0.487 135 G N 1.433 110.011 108.800 -0.369 0.000 2.953 135 G HA2 -0.337 3.623 3.960 0.000 0.000 0.201 135 G HA3 -0.337 3.623 3.960 0.000 0.000 0.201 135 G C 0.849 175.609 174.900 -0.234 0.000 1.501 135 G CA 0.846 45.663 45.100 -0.472 0.000 1.094 135 G HN 0.998 nan 8.290 nan 0.000 0.555 136 T N -0.254 114.217 114.554 -0.138 0.000 2.809 136 T HA 0.150 4.500 4.350 0.000 0.000 0.260 136 T C 2.053 176.696 174.700 -0.095 0.000 1.039 136 T CA 1.811 63.853 62.100 -0.097 0.000 1.141 136 T CB -0.256 68.570 68.868 -0.070 0.000 0.869 136 T HN 0.501 nan 8.240 nan 0.000 0.437 137 K N 0.586 120.927 120.400 -0.098 0.000 2.097 137 K HA 0.086 4.406 4.320 0.000 0.000 0.206 137 K C 2.183 178.728 176.600 -0.091 0.000 1.049 137 K CA 0.997 57.235 56.287 -0.083 0.000 0.933 137 K CB -0.378 32.076 32.500 -0.077 0.000 0.717 137 K HN 0.179 nan 8.250 nan 0.000 0.442 138 L N 1.018 122.161 121.223 -0.133 0.000 2.093 138 L HA -0.094 4.246 4.340 0.000 0.000 0.208 138 L C 2.180 178.978 176.870 -0.120 0.000 1.085 138 L CA 1.565 56.322 54.840 -0.139 0.000 0.755 138 L CB -0.595 41.331 42.059 -0.221 0.000 0.904 138 L HN 0.111 nan 8.230 nan 0.000 0.435 139 A N -1.331 121.414 122.820 -0.126 0.000 1.851 139 A HA -0.241 4.079 4.320 0.000 0.000 0.216 139 A C 2.256 179.799 177.584 -0.069 0.000 1.195 139 A CA 2.507 54.485 52.037 -0.098 0.000 0.622 139 A CB -1.365 17.581 19.000 -0.090 0.000 0.831 139 A HN 0.481 nan 8.150 nan 0.000 0.444 140 T N 0.176 114.694 114.554 -0.060 0.000 2.685 140 T HA -0.213 4.137 4.350 0.000 0.000 0.268 140 T C 2.027 176.708 174.700 -0.032 0.000 1.034 140 T CA 1.815 63.891 62.100 -0.041 0.000 1.149 140 T CB -0.292 68.554 68.868 -0.038 0.000 0.860 140 T HN 0.509 nan 8.240 nan 0.000 0.449 141 Q N -0.170 119.608 119.800 -0.036 0.000 2.137 141 Q HA 0.184 4.524 4.340 0.000 0.000 0.198 141 Q C 2.340 178.327 176.000 -0.023 0.000 0.960 141 Q CA 0.745 56.535 55.803 -0.021 0.000 0.847 141 Q CB -0.320 28.408 28.738 -0.017 0.000 0.915 141 Q HN 0.436 nan 8.270 nan 0.000 0.448 142 M N 0.246 119.817 119.600 -0.048 0.000 2.319 142 M HA -0.039 4.441 4.480 0.000 0.000 0.265 142 M C 1.861 178.133 176.300 -0.047 0.000 1.068 142 M CA 1.056 56.316 55.300 -0.066 0.000 1.118 142 M CB -0.601 31.934 32.600 -0.108 0.000 1.395 142 M HN 0.126 nan 8.290 nan 0.000 0.435 143 R N 0.106 120.584 120.500 -0.036 0.000 2.193 143 R HA -0.139 4.201 4.340 0.000 0.000 0.229 143 R C 2.038 178.335 176.300 -0.004 0.000 1.110 143 R CA 1.075 57.161 56.100 -0.023 0.000 0.988 143 R CB -0.111 30.176 30.300 -0.022 0.000 0.871 143 R HN 0.411 nan 8.270 nan 0.000 0.458 144 K N 0.200 120.602 120.400 0.003 0.000 2.103 144 K HA -0.051 4.269 4.320 0.000 0.000 0.204 144 K C 1.881 178.505 176.600 0.039 0.000 1.052 144 K CA 0.970 57.269 56.287 0.020 0.000 0.945 144 K CB 0.046 32.560 32.500 0.023 0.000 0.722 144 K HN 0.131 nan 8.250 nan 0.000 0.443 145 L N 0.015 121.265 121.223 0.045 0.000 2.209 145 L HA 0.003 4.343 4.340 0.000 0.000 0.207 145 L C 1.207 178.132 176.870 0.091 0.000 1.094 145 L CA 0.527 55.423 54.840 0.094 0.000 0.790 145 L CB 0.283 42.417 42.059 0.125 0.000 0.932 145 L HN 0.099 nan 8.230 nan 0.000 0.447 146 T N -3.041 111.533 114.554 0.034 0.000 2.883 146 T HA 0.285 4.636 4.350 0.000 0.000 0.301 146 T C 0.510 175.215 174.700 0.008 0.000 1.158 146 T CA -0.449 61.669 62.100 0.030 0.000 1.007 146 T CB 1.929 70.795 68.868 -0.003 0.000 1.186 146 T HN -0.144 nan 8.240 nan 0.000 0.499 147 S N 1.887 117.593 115.700 0.011 0.000 2.441 147 S HA 0.189 4.659 4.470 0.000 0.000 0.224 147 S C 0.682 175.274 174.600 -0.014 0.000 1.043 147 S CA 0.031 58.231 58.200 0.001 0.000 0.948 147 S CB -0.074 63.131 63.200 0.009 0.000 0.810 147 S HN 0.668 nan 8.310 nan 0.000 0.504 148 N N 0.989 119.675 118.700 -0.023 0.000 2.372 148 N HA 0.595 5.335 4.740 0.000 0.000 0.291 148 N C -1.452 174.031 175.510 -0.045 0.000 1.024 148 N CA -0.459 52.570 53.050 -0.035 0.000 0.873 148 N CB 1.464 39.924 38.487 -0.045 0.000 1.206 148 N HN 0.100 nan 8.380 nan 0.000 0.486 149 L N 2.435 123.634 121.223 -0.040 0.000 2.565 149 L HA 0.540 4.880 4.340 0.000 0.000 0.261 149 L C -1.440 175.410 176.870 -0.032 0.000 0.932 149 L CA -0.349 54.464 54.840 -0.046 0.000 0.878 149 L CB 1.580 43.600 42.059 -0.065 0.000 1.333 149 L HN 0.552 nan 8.230 nan 0.000 0.409 150 R N 5.121 125.611 120.500 -0.017 0.000 2.686 150 R HA 0.808 5.148 4.340 0.000 0.000 0.286 150 R C -1.371 174.928 176.300 -0.002 0.000 0.969 150 R CA -0.818 55.278 56.100 -0.007 0.000 0.898 150 R CB 2.317 32.620 30.300 0.005 0.000 1.183 150 R HN 0.652 nan 8.270 nan 0.000 0.456 151 I N 0.381 120.951 120.570 -0.001 0.000 2.730 151 I HA 0.635 4.805 4.170 0.000 0.000 0.298 151 I C 0.256 176.437 176.117 0.106 0.000 1.089 151 I CA -0.937 60.368 61.300 0.008 0.000 1.041 151 I CB 2.499 40.424 38.000 -0.125 0.000 1.235 151 I HN 0.697 nan 8.210 nan 0.000 0.423 152 G N 2.811 111.718 108.800 0.178 0.000 2.766 152 G HA2 0.743 4.703 3.960 0.000 0.000 0.288 152 G HA3 0.743 4.703 3.960 0.000 0.000 0.288 152 G C -2.238 172.771 174.900 0.180 0.000 1.408 152 G CA -0.447 44.795 45.100 0.237 0.000 0.852 152 G HN 0.396 nan 8.290 nan 0.000 0.487 153 F N -0.292 119.497 119.950 -0.268 0.000 2.578 153 F HA 0.769 5.296 4.527 0.000 0.000 0.311 153 F C 0.118 175.552 175.800 -0.609 0.000 1.094 153 F CA -0.268 57.489 58.000 -0.405 0.000 0.923 153 F CB 2.244 41.019 39.000 -0.376 0.000 1.230 153 F HN 0.846 nan 8.300 nan 0.000 0.450 154 G N 1.820 109.837 108.800 -1.305 0.000 2.733 154 G HA2 0.859 4.819 3.960 0.000 0.000 0.288 154 G HA3 0.859 4.819 3.960 0.000 0.000 0.288 154 G C -2.205 172.247 174.900 -0.747 0.000 1.373 154 G CA -0.570 44.194 45.100 -0.560 0.000 0.895 154 G HN 1.157 nan 8.290 nan 0.000 0.479 155 A N -0.623 122.118 122.820 -0.132 0.000 2.574 155 A HA 0.903 5.223 4.320 0.000 0.000 0.297 155 A C -1.295 176.623 177.584 0.557 0.000 1.062 155 A CA -0.653 51.432 52.037 0.080 0.000 0.686 155 A CB 1.266 20.314 19.000 0.080 0.000 1.285 155 A HN 2.075 nan 8.150 nan 0.000 0.403 156 F N -0.333 119.877 119.950 0.434 0.000 2.678 156 F HA 0.755 5.283 4.527 0.000 0.000 0.308 156 F C -0.681 175.174 175.800 0.092 0.000 1.118 156 F CA -0.736 57.507 58.000 0.405 0.000 0.959 156 F CB 0.672 39.924 39.000 0.421 0.000 1.305 156 F HN 0.395 nan 8.300 nan 0.000 0.443 157 V N -0.602 119.363 119.914 0.085 0.000 3.927 157 V HA 0.461 4.581 4.120 0.000 0.000 0.190 157 V C -0.869 175.351 176.094 0.209 0.000 1.201 157 V CA 0.654 62.923 62.300 -0.053 0.000 1.324 157 V CB 0.645 32.245 31.823 -0.372 0.000 1.545 157 V HN 0.904 nan 8.190 nan 0.000 0.534 158 D N -1.216 119.278 120.400 0.158 0.000 2.764 158 D HA 0.233 4.873 4.640 0.000 0.000 0.293 158 D C -1.502 174.886 176.300 0.148 0.000 1.287 158 D CA -0.607 53.501 54.000 0.179 0.000 0.768 158 D CB 1.492 42.355 40.800 0.105 0.000 1.288 158 D HN 0.069 nan 8.370 nan 0.000 0.426 159 K N 1.409 121.856 120.400 0.078 0.000 2.419 159 K HA 0.220 4.541 4.320 0.000 0.000 0.282 159 K C -2.099 174.600 176.600 0.164 0.000 1.056 159 K CA -0.973 55.372 56.287 0.097 0.000 1.035 159 K CB 0.320 32.822 32.500 0.003 0.000 0.921 159 K HN 0.018 nan 8.250 nan 0.000 0.472 160 P HA 0.012 nan 4.420 nan 0.000 0.241 160 P C -0.979 176.384 177.300 0.104 0.000 1.760 160 P CA 0.105 63.282 63.100 0.128 0.000 1.081 160 P CB 0.282 32.054 31.700 0.120 0.000 1.975 161 V N 1.077 121.069 119.914 0.131 0.000 3.098 161 V HA 0.355 4.475 4.120 0.000 0.000 0.294 161 V C -0.485 175.621 176.094 0.019 0.000 1.351 161 V CA -0.803 61.538 62.300 0.068 0.000 0.999 161 V CB 2.359 34.213 31.823 0.052 0.000 1.104 161 V HN 0.186 nan 8.190 nan 0.000 0.438 162 S N 6.255 121.929 115.700 -0.044 0.000 2.552 162 S HA 0.309 4.779 4.470 0.000 0.000 0.289 162 S C -1.525 172.931 174.600 -0.240 0.000 1.304 162 S CA 0.205 58.335 58.200 -0.117 0.000 1.063 162 S CB 1.058 64.207 63.200 -0.085 0.000 0.848 162 S HN 0.802 nan 8.310 nan 0.000 0.499 163 P HA 0.178 nan 4.420 nan 0.000 0.258 163 P C 0.086 177.229 177.300 -0.262 0.000 1.416 163 P CA -0.029 62.897 63.100 -0.290 0.000 0.927 163 P CB -0.101 31.442 31.700 -0.261 0.000 1.444 164 Y N 0.927 121.193 120.300 -0.056 0.000 2.263 164 Y HA 0.078 4.628 4.550 0.000 0.000 0.292 164 Y C 1.791 177.635 175.900 -0.093 0.000 1.130 164 Y CA 0.454 58.534 58.100 -0.033 0.000 1.179 164 Y CB -0.685 37.796 38.460 0.034 0.000 0.998 164 Y HN 0.048 nan 8.280 nan 0.000 0.532 165 M N -1.416 118.213 119.600 0.048 0.000 2.537 165 M HA 0.463 4.944 4.480 0.000 0.000 0.324 165 M C -1.583 174.663 176.300 -0.090 0.000 1.187 165 M CA -0.983 54.321 55.300 0.007 0.000 0.993 165 M CB 1.300 33.955 32.600 0.093 0.000 1.666 165 M HN -0.082 nan 8.290 nan 0.000 0.461 166 Y N 2.638 122.966 120.300 0.046 0.000 2.377 166 Y HA 0.290 4.840 4.550 0.000 0.000 0.330 166 Y C 0.953 176.858 175.900 0.010 0.000 1.108 166 Y CA -0.254 57.859 58.100 0.023 0.000 1.308 166 Y CB 0.526 38.998 38.460 0.020 0.000 1.216 166 Y HN 0.689 nan 8.280 nan 0.000 0.518 167 I N -0.862 119.786 120.570 0.131 0.000 4.050 167 I HA 0.401 4.571 4.170 0.000 0.000 0.327 167 I C -0.214 175.925 176.117 0.037 0.000 1.473 167 I CA -0.214 61.123 61.300 0.062 0.000 1.124 167 I CB 0.306 38.321 38.000 0.025 0.000 1.129 167 I HN 0.375 nan 8.210 nan 0.000 0.428 168 S N 0.292 116.024 115.700 0.054 0.000 2.537 168 S HA 0.741 5.211 4.470 0.000 0.000 0.270 168 S C -2.940 171.655 174.600 -0.009 0.000 1.142 168 S CA -0.867 57.337 58.200 0.007 0.000 0.870 168 S CB 1.641 64.850 63.200 0.016 0.000 1.112 168 S HN -0.043 nan 8.310 nan 0.000 0.466 169 P HA 0.401 nan 4.420 nan 0.000 0.277 169 P C -2.043 175.162 177.300 -0.158 0.000 1.276 169 P CA -1.441 61.587 63.100 -0.121 0.000 0.788 169 P CB -0.423 31.172 31.700 -0.175 0.000 1.114 170 P HA -0.180 nan 4.420 nan 0.000 0.218 170 P C 0.974 178.173 177.300 -0.169 0.000 1.146 170 P CA 1.475 64.505 63.100 -0.117 0.000 0.813 170 P CB 0.018 31.666 31.700 -0.087 0.000 0.778 171 E N -0.784 119.223 120.200 -0.323 0.000 2.208 171 E HA -0.032 4.318 4.350 0.000 0.000 0.193 171 E C 2.082 178.476 176.600 -0.343 0.000 0.988 171 E CA 0.983 57.137 56.400 -0.409 0.000 0.828 171 E CB -0.964 28.245 29.700 -0.818 0.000 0.763 171 E HN 0.140 nan 8.360 nan 0.000 0.478 172 A N 0.473 123.095 122.820 -0.330 0.000 1.972 172 A HA -0.148 4.172 4.320 0.000 0.000 0.219 172 A C 2.029 179.600 177.584 -0.022 0.000 1.169 172 A CA 0.984 52.945 52.037 -0.127 0.000 0.635 172 A CB -0.552 18.405 19.000 -0.072 0.000 0.810 172 A HN 0.229 nan 8.150 nan 0.000 0.446 173 L N -0.658 120.547 121.223 -0.029 0.000 2.201 173 L HA -0.123 4.217 4.340 0.000 0.000 0.212 173 L C 2.368 179.252 176.870 0.023 0.000 1.105 173 L CA 0.925 55.773 54.840 0.013 0.000 0.775 173 L CB -0.353 41.706 42.059 0.001 0.000 0.913 173 L HN 0.329 nan 8.230 nan 0.000 0.440 174 E N -0.374 119.827 120.200 0.002 0.000 2.122 174 E HA -0.025 4.325 4.350 0.000 0.000 0.190 174 E C 0.360 176.993 176.600 0.056 0.000 0.977 174 E CA 0.512 56.928 56.400 0.026 0.000 0.820 174 E CB -0.091 29.616 29.700 0.012 0.000 0.770 174 E HN 0.246 nan 8.360 nan 0.000 0.462 175 N N 0.115 118.849 118.700 0.057 0.000 2.607 175 N HA 0.160 4.900 4.740 0.000 0.000 0.271 175 N C -2.508 173.053 175.510 0.086 0.000 1.142 175 N CA -1.783 51.323 53.050 0.093 0.000 0.810 175 N CB 1.626 40.192 38.487 0.132 0.000 1.306 175 N HN -0.328 nan 8.380 nan 0.000 0.536 176 P HA -0.024 nan 4.420 nan 0.000 0.220 176 P C -0.016 177.259 177.300 -0.041 0.000 1.144 176 P CA 0.968 64.093 63.100 0.040 0.000 0.800 176 P CB 0.145 31.899 31.700 0.091 0.000 0.772 177 c N -1.608 116.986 118.600 -0.009 0.000 2.365 177 c HA 0.235 4.806 4.570 0.000 0.000 0.386 177 c C 1.769 175.855 174.090 -0.006 0.000 1.357 177 c CA -0.563 55.722 56.329 -0.073 0.000 1.747 177 c CB -2.746 39.729 42.510 -0.059 0.000 2.487 177 c HN 0.239 nan 8.230 nan 0.000 0.585 178 Y N 3.164 123.398 120.300 -0.110 0.000 2.184 178 Y HA -0.121 4.430 4.550 0.000 0.000 0.290 178 Y C 2.150 178.000 175.900 -0.084 0.000 1.129 178 Y CA 2.406 60.460 58.100 -0.077 0.000 1.144 178 Y CB 0.004 38.423 38.460 -0.067 0.000 0.995 178 Y HN 0.514 nan 8.280 nan 0.000 0.513 179 D N -0.180 120.171 120.400 -0.081 0.000 2.269 179 D HA -0.119 4.522 4.640 0.000 0.000 0.208 179 D C 0.572 176.774 176.300 -0.162 0.000 0.963 179 D CA 0.861 54.772 54.000 -0.149 0.000 0.864 179 D CB -0.595 40.150 40.800 -0.091 0.000 0.936 179 D HN 0.306 nan 8.370 nan 0.000 0.505 180 M N 0.054 119.561 119.600 -0.155 0.000 2.283 180 M HA 0.229 4.709 4.480 0.000 0.000 0.314 180 M C 1.366 177.600 176.300 -0.110 0.000 1.153 180 M CA -0.545 54.678 55.300 -0.128 0.000 1.084 180 M CB 1.476 33.985 32.600 -0.151 0.000 1.468 180 M HN -0.301 nan 8.290 nan 0.000 0.474 181 K N 0.240 120.596 120.400 -0.072 0.000 2.026 181 K HA -0.061 4.260 4.320 0.000 0.000 0.208 181 K C 0.933 177.510 176.600 -0.037 0.000 1.048 181 K CA 1.477 57.728 56.287 -0.061 0.000 0.929 181 K CB -0.399 32.078 32.500 -0.039 0.000 0.713 181 K HN 0.864 nan 8.250 nan 0.000 0.439 182 T N 0.076 114.629 114.554 -0.002 0.000 2.766 182 T HA 0.129 4.479 4.350 0.000 0.000 0.295 182 T C 0.320 175.039 174.700 0.031 0.000 1.024 182 T CA -0.646 61.472 62.100 0.029 0.000 1.018 182 T CB 1.195 70.110 68.868 0.079 0.000 1.002 182 T HN 0.234 nan 8.240 nan 0.000 0.532 183 T N -1.388 113.199 114.554 0.054 0.000 2.841 183 T HA 0.597 4.947 4.350 0.000 0.000 0.285 183 T C 0.160 174.916 174.700 0.094 0.000 0.991 183 T CA -1.054 61.086 62.100 0.066 0.000 0.966 183 T CB -0.029 68.876 68.868 0.062 0.000 0.962 183 T HN 1.172 nan 8.240 nan 0.000 0.438 184 c N 2.874 121.538 118.600 0.107 0.000 2.630 184 c HA 0.828 5.398 4.570 0.000 0.000 0.346 184 c C 0.595 174.769 174.090 0.139 0.000 1.245 184 c CA -1.427 54.985 56.329 0.138 0.000 1.804 184 c CB -0.162 42.453 42.510 0.175 0.000 2.279 184 c HN 1.037 nan 8.230 nan 0.000 0.498 185 L N 2.071 123.398 121.223 0.173 0.000 2.482 185 L HA 0.281 4.621 4.340 0.000 0.000 0.273 185 L C -1.835 175.155 176.870 0.201 0.000 1.228 185 L CA -0.849 54.110 54.840 0.199 0.000 0.827 185 L CB 0.477 42.710 42.059 0.291 0.000 1.099 185 L HN 0.525 nan 8.230 nan 0.000 0.494 186 P HA 0.033 nan 4.420 nan 0.000 0.271 186 P C -0.528 176.926 177.300 0.258 0.000 1.218 186 P CA -0.232 62.977 63.100 0.181 0.000 0.780 186 P CB 0.514 32.299 31.700 0.140 0.000 0.901 187 M N 3.776 123.485 119.600 0.182 0.000 2.245 187 M HA 0.346 4.826 4.480 0.000 0.000 0.344 187 M C -0.827 175.610 176.300 0.230 0.000 1.170 187 M CA 0.433 55.805 55.300 0.119 0.000 1.135 187 M CB -0.281 32.373 32.600 0.091 0.000 1.574 187 M HN 0.275 nan 8.290 nan 0.000 0.452 188 F N 2.126 122.191 119.950 0.192 0.000 2.578 188 F HA 0.729 5.256 4.527 0.000 0.000 0.311 188 F C 0.431 176.404 175.800 0.288 0.000 1.094 188 F CA -0.869 57.278 58.000 0.245 0.000 0.923 188 F CB 0.656 39.851 39.000 0.324 0.000 1.230 188 F HN 0.568 nan 8.300 nan 0.000 0.450 189 G N 1.037 110.128 108.800 0.485 0.000 2.424 189 G HA2 0.059 4.019 3.960 0.000 0.000 0.214 189 G HA3 0.059 4.019 3.960 0.000 0.000 0.214 189 G C -1.006 174.292 174.900 0.663 0.000 1.202 189 G CA 1.298 46.683 45.100 0.474 0.000 0.793 189 G HN 0.846 nan 8.290 nan 0.000 0.534 190 Y N 0.321 120.969 120.300 0.580 0.000 2.424 190 Y HA 0.485 5.035 4.550 0.000 0.000 0.323 190 Y C -1.391 174.704 175.900 0.326 0.000 1.174 190 Y CA -1.505 56.897 58.100 0.504 0.000 1.060 190 Y CB 1.086 39.746 38.460 0.333 0.000 1.314 190 Y HN 0.250 nan 8.280 nan 0.000 0.439 191 K N 3.993 123.995 120.400 -0.664 0.000 2.397 191 K HA 0.445 4.766 4.320 0.000 0.000 0.253 191 K C -1.670 174.377 176.600 -0.923 0.000 0.932 191 K CA -1.016 54.718 56.287 -0.920 0.000 0.795 191 K CB 2.091 33.976 32.500 -1.026 0.000 1.159 191 K HN 0.806 nan 8.250 nan 0.000 0.424 192 H N 1.815 120.463 119.070 -0.703 0.000 2.652 192 H HA 0.227 4.783 4.556 0.000 0.000 0.349 192 H C -0.092 175.142 175.328 -0.157 0.000 1.099 192 H CA 0.106 56.008 56.048 -0.243 0.000 1.417 192 H CB 1.137 30.876 29.762 -0.038 0.000 1.457 192 H HN 0.484 nan 8.280 nan 0.000 0.568 193 V N 3.547 123.104 119.914 -0.595 0.000 3.161 193 V HA 0.134 4.254 4.120 0.000 0.000 0.221 193 V C -0.503 175.370 176.094 -0.368 0.000 1.296 193 V CA -0.039 62.061 62.300 -0.335 0.000 1.306 193 V CB 0.161 31.957 31.823 -0.044 0.000 1.171 193 V HN 0.529 nan 8.190 nan 0.000 0.513 194 L N 1.490 122.486 121.223 -0.378 0.000 2.342 194 L HA 0.623 4.963 4.340 0.000 0.000 0.276 194 L C -0.056 176.805 176.870 -0.014 0.000 0.997 194 L CA 0.081 54.831 54.840 -0.150 0.000 0.838 194 L CB 1.097 43.132 42.059 -0.040 0.000 1.224 194 L HN 0.196 nan 8.230 nan 0.000 0.416 195 T N 5.192 119.852 114.554 0.177 0.000 2.940 195 T HA 0.205 4.555 4.350 0.000 0.000 0.309 195 T C 0.614 175.398 174.700 0.141 0.000 1.056 195 T CA -0.179 62.099 62.100 0.297 0.000 1.137 195 T CB 0.153 69.148 68.868 0.211 0.000 0.976 195 T HN 0.487 nan 8.240 nan 0.000 0.547 196 L N 3.046 124.316 121.223 0.080 0.000 2.700 196 L HA 0.085 4.426 4.340 0.000 0.000 0.276 196 L C 1.013 177.898 176.870 0.026 0.000 1.200 196 L CA 0.410 55.265 54.840 0.025 0.000 0.951 196 L CB -0.263 41.749 42.059 -0.080 0.000 1.226 196 L HN 0.677 nan 8.230 nan 0.000 0.489 197 T N 0.181 114.757 114.554 0.037 0.000 2.906 197 T HA 0.249 4.600 4.350 0.000 0.000 0.295 197 T C 0.601 175.309 174.700 0.013 0.000 1.061 197 T CA -0.538 61.576 62.100 0.024 0.000 1.000 197 T CB 1.519 70.404 68.868 0.029 0.000 1.103 197 T HN 0.706 nan 8.240 nan 0.000 0.486 198 D N 2.075 122.477 120.400 0.004 0.000 2.178 198 D HA -0.065 4.575 4.640 0.000 0.000 0.202 198 D C 0.632 176.927 176.300 -0.009 0.000 0.974 198 D CA 0.902 54.898 54.000 -0.006 0.000 0.841 198 D CB -0.201 40.595 40.800 -0.007 0.000 0.953 198 D HN 0.522 nan 8.370 nan 0.000 0.478 199 Q N 0.801 120.600 119.800 -0.002 0.000 2.388 199 Q HA 0.109 4.449 4.340 0.000 0.000 0.246 199 Q C 1.399 177.400 176.000 0.002 0.000 1.246 199 Q CA -0.269 55.531 55.803 -0.004 0.000 0.895 199 Q CB 1.322 30.059 28.738 -0.003 0.000 1.510 199 Q HN 0.389 nan 8.270 nan 0.000 0.503 200 V N 0.056 119.961 119.914 -0.015 0.000 2.594 200 V HA -0.236 3.884 4.120 0.000 0.000 0.253 200 V C 1.983 178.079 176.094 0.005 0.000 1.069 200 V CA 2.072 64.357 62.300 -0.025 0.000 1.082 200 V CB -1.113 30.669 31.823 -0.068 0.000 0.680 200 V HN 0.795 nan 8.190 nan 0.000 0.469 201 T N -1.388 113.162 114.554 -0.007 0.000 2.915 201 T HA -0.193 4.157 4.350 0.000 0.000 0.269 201 T C 2.013 176.711 174.700 -0.004 0.000 1.071 201 T CA 1.524 63.618 62.100 -0.010 0.000 1.132 201 T CB -0.576 68.277 68.868 -0.024 0.000 0.878 201 T HN 0.558 nan 8.240 nan 0.000 0.479 202 R N -0.456 120.047 120.500 0.005 0.000 2.148 202 R HA 0.077 4.417 4.340 0.000 0.000 0.223 202 R C 2.086 178.370 176.300 -0.026 0.000 1.088 202 R CA 0.790 56.880 56.100 -0.016 0.000 0.985 202 R CB -0.472 29.822 30.300 -0.011 0.000 0.880 202 R HN 0.497 nan 8.270 nan 0.000 0.451 203 F N 1.814 121.686 119.950 -0.130 0.000 2.095 203 F HA -0.237 4.290 4.527 0.000 0.000 0.298 203 F C 1.458 177.111 175.800 -0.246 0.000 1.104 203 F CA 1.985 59.875 58.000 -0.183 0.000 1.232 203 F CB -0.181 38.719 39.000 -0.167 0.000 0.987 203 F HN 0.096 nan 8.300 nan 0.000 0.475 204 N N 0.438 119.179 118.700 0.068 0.000 2.223 204 N HA -0.193 4.548 4.740 0.000 0.000 0.185 204 N C 1.768 177.167 175.510 -0.185 0.000 1.016 204 N CA 1.451 54.463 53.050 -0.065 0.000 0.863 204 N CB -0.572 37.897 38.487 -0.030 0.000 0.983 204 N HN 0.530 nan 8.380 nan 0.000 0.429 205 E N 0.586 120.693 120.200 -0.154 0.000 2.106 205 E HA -0.147 4.203 4.350 0.000 0.000 0.192 205 E C 1.108 177.578 176.600 -0.216 0.000 0.984 205 E CA 0.847 57.155 56.400 -0.154 0.000 0.806 205 E CB 0.197 29.832 29.700 -0.108 0.000 0.750 205 E HN 0.292 nan 8.360 nan 0.000 0.458 206 E N 0.065 120.085 120.200 -0.301 0.000 2.158 206 E HA -0.115 4.235 4.350 0.000 0.000 0.191 206 E C 2.359 178.656 176.600 -0.506 0.000 0.982 206 E CA 1.120 57.302 56.400 -0.363 0.000 0.823 206 E CB 0.046 29.514 29.700 -0.387 0.000 0.766 206 E HN 0.361 nan 8.360 nan 0.000 0.468 207 V N -0.408 119.086 119.914 -0.700 0.000 2.490 207 V HA -0.167 3.953 4.120 0.000 0.000 0.250 207 V C 1.892 177.741 176.094 -0.409 0.000 1.061 207 V CA 1.513 63.352 62.300 -0.768 0.000 1.064 207 V CB -0.557 30.774 31.823 -0.819 0.000 0.670 207 V HN 0.034 nan 8.190 nan 0.000 0.461 208 K N 0.341 120.561 120.400 -0.300 0.000 2.296 208 K HA 0.037 4.357 4.320 0.000 0.000 0.200 208 K C 2.129 178.649 176.600 -0.133 0.000 1.048 208 K CA 0.985 57.162 56.287 -0.184 0.000 0.966 208 K CB -0.155 32.249 32.500 -0.159 0.000 0.754 208 K HN 0.459 nan 8.250 nan 0.000 0.466 209 K N 0.417 120.721 120.400 -0.160 0.000 2.418 209 K HA 0.021 4.341 4.320 0.000 0.000 0.195 209 K C 0.473 177.019 176.600 -0.090 0.000 1.035 209 K CA 0.380 56.601 56.287 -0.111 0.000 1.003 209 K CB 0.338 32.767 32.500 -0.118 0.000 0.793 209 K HN 0.089 nan 8.250 nan 0.000 0.494 210 Q N 0.656 120.384 119.800 -0.119 0.000 2.312 210 Q HA 0.160 4.500 4.340 0.000 0.000 0.236 210 Q C -0.015 175.993 176.000 0.012 0.000 0.965 210 Q CA 0.055 55.827 55.803 -0.052 0.000 0.894 210 Q CB 1.824 30.523 28.738 -0.065 0.000 1.225 210 Q HN 0.144 nan 8.270 nan 0.000 0.478 211 S N -1.609 114.138 115.700 0.078 0.000 2.596 211 S HA 0.620 5.090 4.470 0.000 0.000 0.270 211 S C -0.197 174.513 174.600 0.183 0.000 1.155 211 S CA -0.804 57.462 58.200 0.111 0.000 0.827 211 S CB 0.742 64.002 63.200 0.100 0.000 1.130 211 S HN 0.445 nan 8.310 nan 0.000 0.467 212 V N -0.466 119.545 119.914 0.162 0.000 3.336 212 V HA 0.899 5.019 4.120 0.000 0.000 0.304 212 V C 0.419 176.639 176.094 0.210 0.000 1.073 212 V CA -0.018 62.388 62.300 0.175 0.000 1.074 212 V CB 1.008 32.899 31.823 0.114 0.000 1.161 212 V HN 1.186 nan 8.190 nan 0.000 0.460 213 S N -0.077 115.717 115.700 0.157 0.000 2.851 213 S HA 0.725 5.195 4.470 0.000 0.000 0.313 213 S C -0.666 174.019 174.600 0.141 0.000 1.163 213 S CA -1.028 57.255 58.200 0.138 0.000 0.850 213 S CB 1.887 65.121 63.200 0.057 0.000 1.245 213 S HN 1.140 nan 8.310 nan 0.000 0.558 214 R N 0.450 121.024 120.500 0.125 0.000 2.795 214 R HA 0.606 4.946 4.340 0.000 0.000 0.275 214 R C -1.357 175.067 176.300 0.206 0.000 0.981 214 R CA -0.465 55.727 56.100 0.152 0.000 0.917 214 R CB 1.379 31.719 30.300 0.067 0.000 1.202 214 R HN 0.970 nan 8.270 nan 0.000 0.469 215 N N 0.271 119.122 118.700 0.251 0.000 2.825 215 N HA 0.247 4.987 4.740 0.000 0.000 0.253 215 N C -0.284 175.342 175.510 0.193 0.000 1.426 215 N CA -1.049 52.131 53.050 0.216 0.000 0.851 215 N CB 1.971 40.539 38.487 0.135 0.000 1.470 215 N HN 0.492 nan 8.380 nan 0.000 0.517 216 R N -0.224 120.233 120.500 -0.071 0.000 2.048 216 R HA -0.017 4.323 4.340 0.000 0.000 0.224 216 R C -0.306 176.024 176.300 0.051 0.000 1.163 216 R CA 1.299 57.313 56.100 -0.143 0.000 0.956 216 R CB -0.415 29.634 30.300 -0.418 0.000 0.849 216 R HN 0.842 nan 8.270 nan 0.000 0.435 217 D N -0.377 120.087 120.400 0.106 0.000 2.313 217 D HA 0.086 4.726 4.640 0.000 0.000 0.247 217 D C 0.457 176.824 176.300 0.111 0.000 1.094 217 D CA 0.280 54.361 54.000 0.135 0.000 0.925 217 D CB 1.519 42.461 40.800 0.236 0.000 1.188 217 D HN 0.275 nan 8.370 nan 0.000 0.430 218 A N 1.840 124.698 122.820 0.062 0.000 1.898 218 A HA 0.068 4.388 4.320 0.000 0.000 0.216 218 A C -1.404 176.173 177.584 -0.013 0.000 1.181 218 A CA 0.647 52.705 52.037 0.034 0.000 0.620 218 A CB -1.574 17.437 19.000 0.019 0.000 0.819 218 A HN 0.547 nan 8.150 nan 0.000 0.442 219 P HA 0.231 nan 4.420 nan 0.000 0.269 219 P C -0.167 177.007 177.300 -0.210 0.000 1.215 219 P CA 0.322 63.224 63.100 -0.331 0.000 0.780 219 P CB 0.524 31.730 31.700 -0.824 0.000 0.898 220 E N 0.115 120.256 120.200 -0.098 0.000 2.410 220 E HA 0.423 4.773 4.350 0.000 0.000 0.269 220 E C 0.352 177.087 176.600 0.225 0.000 0.937 220 E CA -0.856 55.647 56.400 0.173 0.000 0.793 220 E CB 1.267 31.146 29.700 0.298 0.000 1.314 220 E HN 0.427 nan 8.360 nan 0.000 0.447 221 G N 0.063 109.069 108.800 0.343 0.000 3.741 221 G HA2 0.277 4.237 3.960 0.000 0.000 0.263 221 G HA3 0.277 4.237 3.960 0.000 0.000 0.263 221 G C 0.831 175.830 174.900 0.164 0.000 1.175 221 G CA 0.187 45.496 45.100 0.348 0.000 1.642 221 G HN 0.435 nan 8.290 nan 0.000 0.644 222 G N 0.510 109.358 108.800 0.080 0.000 2.408 222 G HA2 -0.093 3.867 3.960 0.000 0.000 0.215 222 G HA3 -0.093 3.867 3.960 0.000 0.000 0.215 222 G C 1.287 176.151 174.900 -0.061 0.000 1.156 222 G CA 0.314 45.252 45.100 -0.270 0.000 0.793 222 G HN 0.385 nan 8.290 nan 0.000 0.535 223 F N 1.602 121.433 119.950 -0.198 0.000 2.293 223 F HA 0.074 4.601 4.527 0.000 0.000 0.300 223 F C 2.229 177.911 175.800 -0.198 0.000 1.086 223 F CA 0.167 58.026 58.000 -0.235 0.000 1.375 223 F CB -0.271 38.633 39.000 -0.161 0.000 1.045 223 F HN 0.082 nan 8.300 nan 0.000 0.516 224 D N -0.019 120.430 120.400 0.081 0.000 2.117 224 D HA -0.135 4.506 4.640 0.000 0.000 0.197 224 D C 2.379 178.453 176.300 -0.377 0.000 0.987 224 D CA 1.403 55.342 54.000 -0.102 0.000 0.829 224 D CB -0.356 40.475 40.800 0.052 0.000 0.961 224 D HN 0.194 nan 8.370 nan 0.000 0.460 225 A N 0.812 123.409 122.820 -0.372 0.000 1.845 225 A HA -0.149 4.172 4.320 0.000 0.000 0.215 225 A C 2.438 179.673 177.584 -0.581 0.000 1.195 225 A CA 1.048 52.702 52.037 -0.638 0.000 0.616 225 A CB -0.866 17.843 19.000 -0.485 0.000 0.832 225 A HN 0.214 nan 8.150 nan 0.000 0.443 226 I N -1.110 119.209 120.570 -0.418 0.000 2.248 226 I HA -0.323 3.847 4.170 0.000 0.000 0.248 226 I C 2.670 178.566 176.117 -0.369 0.000 1.107 226 I CA 2.014 63.079 61.300 -0.392 0.000 1.373 226 I CB -0.284 37.376 38.000 -0.567 0.000 1.055 226 I HN 0.495 nan 8.210 nan 0.000 0.418 227 M N 0.593 119.975 119.600 -0.362 0.000 2.059 227 M HA -0.240 4.240 4.480 0.000 0.000 0.259 227 M C 2.283 178.406 176.300 -0.295 0.000 1.072 227 M CA 1.920 57.042 55.300 -0.295 0.000 1.117 227 M CB -0.536 31.920 32.600 -0.240 0.000 1.320 227 M HN 0.066 nan 8.290 nan 0.000 0.408 228 Q N 0.064 119.621 119.800 -0.404 0.000 2.084 228 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 228 Q C 2.276 178.113 176.000 -0.272 0.000 0.978 228 Q CA 1.928 57.522 55.803 -0.350 0.000 0.844 228 Q CB -1.058 27.397 28.738 -0.473 0.000 0.898 228 Q HN 0.719 nan 8.270 nan 0.000 0.426 229 A N 0.423 123.028 122.820 -0.358 0.000 1.948 229 A HA -0.192 4.128 4.320 0.000 0.000 0.220 229 A C 2.335 179.896 177.584 -0.039 0.000 1.177 229 A CA 2.134 54.042 52.037 -0.215 0.000 0.636 229 A CB -0.750 18.157 19.000 -0.155 0.000 0.815 229 A HN 0.386 nan 8.150 nan 0.000 0.449 230 T N -0.528 113.953 114.554 -0.122 0.000 2.770 230 T HA -0.063 4.287 4.350 0.000 0.000 0.258 230 T C 2.009 176.641 174.700 -0.112 0.000 1.039 230 T CA 1.924 63.935 62.100 -0.149 0.000 1.143 230 T CB -0.575 68.153 68.868 -0.234 0.000 0.866 230 T HN 0.609 nan 8.240 nan 0.000 0.428 231 V N -0.443 119.399 119.914 -0.120 0.000 2.719 231 V HA 0.078 4.198 4.120 0.000 0.000 0.252 231 V C 1.359 177.412 176.094 -0.068 0.000 1.065 231 V CA 0.281 62.522 62.300 -0.098 0.000 1.086 231 V CB -1.313 30.449 31.823 -0.101 0.000 0.700 231 V HN 0.412 nan 8.190 nan 0.000 0.467 232 c N 2.588 121.151 118.600 -0.061 0.000 2.518 232 c HA 0.312 4.882 4.570 0.000 0.000 0.456 232 c C 1.539 175.608 174.090 -0.034 0.000 1.016 232 c CA -0.469 55.825 56.329 -0.058 0.000 1.210 232 c CB -1.955 40.512 42.510 -0.072 0.000 1.542 232 c HN 0.543 nan 8.230 nan 0.000 0.545 233 D N 1.464 121.865 120.400 0.002 0.000 2.087 233 D HA -0.132 4.508 4.640 0.000 0.000 0.192 233 D C 1.915 178.209 176.300 -0.009 0.000 0.993 233 D CA 1.527 55.568 54.000 0.068 0.000 0.828 233 D CB 0.014 40.836 40.800 0.037 0.000 0.968 233 D HN 0.641 nan 8.370 nan 0.000 0.448 234 E N 0.008 120.185 120.200 -0.039 0.000 2.150 234 E HA -0.153 4.197 4.350 0.000 0.000 0.193 234 E C 1.897 178.436 176.600 -0.102 0.000 0.985 234 E CA 0.763 57.131 56.400 -0.053 0.000 0.814 234 E CB 0.085 29.762 29.700 -0.038 0.000 0.752 234 E HN 0.126 nan 8.360 nan 0.000 0.466 235 K N 0.535 120.842 120.400 -0.155 0.000 2.076 235 K HA -0.070 4.250 4.320 0.000 0.000 0.204 235 K C 1.920 178.274 176.600 -0.411 0.000 1.051 235 K CA 0.724 56.853 56.287 -0.263 0.000 0.949 235 K CB 0.171 32.493 32.500 -0.298 0.000 0.726 235 K HN -0.028 nan 8.250 nan 0.000 0.443 236 I N 0.614 120.929 120.570 -0.425 0.000 2.252 236 I HA -0.022 4.148 4.170 0.000 0.000 0.245 236 I C 1.235 177.089 176.117 -0.437 0.000 1.102 236 I CA 1.758 62.753 61.300 -0.509 0.000 1.385 236 I CB -1.180 36.367 38.000 -0.754 0.000 1.064 236 I HN 0.555 nan 8.210 nan 0.000 0.414 237 G N 0.677 109.263 108.800 -0.356 0.000 2.325 237 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 237 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 237 G C -0.469 174.312 174.900 -0.199 0.000 1.108 237 G CA -0.471 44.507 45.100 -0.203 0.000 0.881 237 G HN 0.278 nan 8.290 nan 0.000 0.494 238 W N 0.477 121.726 121.300 -0.085 0.000 2.251 238 W HA 0.540 5.200 4.660 0.000 0.000 0.327 238 W C 1.324 177.818 176.519 -0.042 0.000 1.361 238 W CA -0.661 56.617 57.345 -0.112 0.000 1.234 238 W CB 0.547 29.796 29.460 -0.351 0.000 1.212 238 W HN 0.180 nan 8.180 nan 0.000 0.557 239 R N 2.346 123.028 120.500 0.304 0.000 2.490 239 R HA 0.030 4.370 4.340 0.000 0.000 0.280 239 R C 0.984 177.472 176.300 0.314 0.000 1.077 239 R CA -0.575 55.665 56.100 0.232 0.000 1.065 239 R CB 0.586 30.987 30.300 0.169 0.000 1.003 239 R HN 0.517 nan 8.270 nan 0.000 0.470 240 N N 1.184 120.004 118.700 0.200 0.000 2.106 240 N HA -0.105 4.635 4.740 0.000 0.000 0.188 240 N C -0.251 175.401 175.510 0.236 0.000 1.029 240 N CA 1.364 54.534 53.050 0.200 0.000 0.848 240 N CB 0.166 38.728 38.487 0.126 0.000 1.007 240 N HN 0.482 nan 8.380 nan 0.000 0.423 241 D N 0.742 121.243 120.400 0.168 0.000 2.557 241 D HA 0.493 5.134 4.640 0.000 0.000 0.236 241 D C -0.705 175.550 176.300 -0.075 0.000 1.154 241 D CA 0.123 54.221 54.000 0.162 0.000 0.985 241 D CB 0.416 41.294 40.800 0.130 0.000 1.010 241 D HN 0.167 nan 8.370 nan 0.000 0.516 242 A N 0.527 123.328 122.820 -0.031 0.000 2.599 242 A HA 0.472 4.792 4.320 0.000 0.000 0.294 242 A C -0.393 177.029 177.584 -0.270 0.000 1.055 242 A CA -0.752 51.129 52.037 -0.260 0.000 0.683 242 A CB 0.986 19.942 19.000 -0.073 0.000 1.278 242 A HN 0.111 nan 8.150 nan 0.000 0.412 243 S N 0.648 116.282 115.700 -0.111 0.000 2.564 243 S HA 0.418 4.888 4.470 0.000 0.000 0.278 243 S C -0.525 173.955 174.600 -0.199 0.000 1.333 243 S CA 0.151 58.240 58.200 -0.186 0.000 1.048 243 S CB -0.105 63.184 63.200 0.148 0.000 0.900 243 S HN 0.615 nan 8.310 nan 0.000 0.505 244 H N 1.401 120.472 119.070 0.000 0.000 2.725 244 H HA 0.387 4.944 4.556 0.000 0.000 0.283 244 H C -0.817 174.497 175.328 -0.024 0.000 1.110 244 H CA -0.518 55.523 56.048 -0.013 0.000 1.289 244 H CB 0.314 29.807 29.762 -0.447 0.000 1.400 244 H HN 0.323 nan 8.280 nan 0.000 0.493 245 L N 3.851 125.237 121.223 0.272 0.000 2.264 245 L HA 0.248 4.588 4.340 0.000 0.000 0.289 245 L C -0.641 176.419 176.870 0.317 0.000 1.044 245 L CA -0.881 54.082 54.840 0.206 0.000 0.807 245 L CB 1.154 43.319 42.059 0.178 0.000 1.192 245 L HN 0.380 nan 8.230 nan 0.000 0.425 246 L N 5.535 126.873 121.223 0.192 0.000 2.295 246 L HA 0.411 4.751 4.340 0.000 0.000 0.281 246 L C -0.407 176.545 176.870 0.136 0.000 1.018 246 L CA -0.249 54.743 54.840 0.252 0.000 0.841 246 L CB 1.500 43.635 42.059 0.126 0.000 1.218 246 L HN 0.219 nan 8.230 nan 0.000 0.424 247 V N 5.846 125.859 119.914 0.165 0.000 2.406 247 V HA 0.261 4.381 4.120 0.000 0.000 0.272 247 V C -0.376 175.725 176.094 0.013 0.000 1.043 247 V CA -0.224 62.106 62.300 0.049 0.000 0.915 247 V CB 0.825 32.659 31.823 0.018 0.000 0.988 247 V HN 0.626 nan 8.190 nan 0.000 0.466 248 F N 5.482 125.349 119.950 -0.138 0.000 2.443 248 F HA 0.482 5.009 4.527 0.000 0.000 0.369 248 F C 0.606 176.378 175.800 -0.047 0.000 1.090 248 F CA -0.574 57.383 58.000 -0.071 0.000 1.129 248 F CB 0.969 39.916 39.000 -0.088 0.000 1.367 248 F HN 0.559 nan 8.300 nan 0.000 0.465 249 T N 1.635 115.935 114.554 -0.424 0.000 2.771 249 T HA 0.615 4.965 4.350 0.000 0.000 0.291 249 T C -0.104 174.338 174.700 -0.430 0.000 0.954 249 T CA -0.459 61.428 62.100 -0.355 0.000 1.045 249 T CB 1.531 70.238 68.868 -0.268 0.000 0.917 249 T HN 0.652 nan 8.240 nan 0.000 0.484 250 T N 0.983 115.341 114.554 -0.326 0.000 2.830 250 T HA 0.403 4.753 4.350 0.000 0.000 0.322 250 T C -1.202 173.460 174.700 -0.063 0.000 1.501 250 T CA -0.620 61.351 62.100 -0.215 0.000 1.036 250 T CB 1.699 70.431 68.868 -0.225 0.000 1.379 250 T HN 0.717 nan 8.240 nan 0.000 0.493 251 D N 1.155 121.559 120.400 0.006 0.000 2.501 251 D HA 0.555 5.195 4.640 0.000 0.000 0.224 251 D C 0.264 176.624 176.300 0.101 0.000 1.202 251 D CA -0.162 53.871 54.000 0.054 0.000 0.829 251 D CB 0.450 41.269 40.800 0.031 0.000 1.023 251 D HN 0.711 nan 8.370 nan 0.000 0.499 252 A N -0.122 122.790 122.820 0.153 0.000 2.568 252 A HA 0.548 4.869 4.320 0.000 0.000 0.291 252 A C -0.507 177.210 177.584 0.223 0.000 1.159 252 A CA -0.937 51.188 52.037 0.147 0.000 0.679 252 A CB 1.230 20.283 19.000 0.089 0.000 1.285 252 A HN -0.047 nan 8.150 nan 0.000 0.428 253 K N -0.380 120.065 120.400 0.075 0.000 2.188 253 K HA 0.409 4.730 4.320 0.000 0.000 0.246 253 K C -0.128 176.473 176.600 0.001 0.000 1.026 253 K CA 0.536 56.805 56.287 -0.030 0.000 0.871 253 K CB 0.276 32.688 32.500 -0.146 0.000 1.042 253 K HN 0.614 nan 8.250 nan 0.000 0.509 254 T N 0.278 114.736 114.554 -0.160 0.000 2.893 254 T HA 0.169 4.520 4.350 0.000 0.000 0.293 254 T C -1.032 173.340 174.700 -0.546 0.000 1.027 254 T CA -0.809 61.125 62.100 -0.277 0.000 0.988 254 T CB 0.577 69.248 68.868 -0.328 0.000 1.043 254 T HN 0.373 nan 8.240 nan 0.000 0.461 255 H N 3.841 122.586 119.070 -0.542 0.000 2.732 255 H HA 0.403 4.959 4.556 0.000 0.000 0.351 255 H C 0.572 175.441 175.328 -0.765 0.000 1.090 255 H CA 0.201 55.782 56.048 -0.778 0.000 1.431 255 H CB 0.676 29.534 29.762 -1.507 0.000 1.447 255 H HN 0.635 nan 8.280 nan 0.000 0.582 256 I N -0.799 119.554 120.570 -0.362 0.000 3.133 256 I HA 0.681 4.851 4.170 0.000 0.000 0.311 256 I C 0.093 176.232 176.117 0.037 0.000 1.072 256 I CA -1.473 59.730 61.300 -0.163 0.000 1.015 256 I CB 1.475 39.411 38.000 -0.107 0.000 1.233 256 I HN 0.447 nan 8.210 nan 0.000 0.473 257 A N 2.352 125.251 122.820 0.130 0.000 2.498 257 A HA 0.472 4.793 4.320 0.000 0.000 0.239 257 A C 0.669 178.338 177.584 0.141 0.000 1.068 257 A CA 0.085 52.230 52.037 0.179 0.000 0.766 257 A CB -0.211 18.871 19.000 0.137 0.000 1.003 257 A HN 1.075 nan 8.150 nan 0.000 0.497 258 L N -0.193 121.126 121.223 0.159 0.000 4.383 258 L HA -0.242 4.098 4.340 0.000 0.000 0.402 258 L C 0.783 177.743 176.870 0.150 0.000 0.803 258 L CA 0.958 55.873 54.840 0.125 0.000 2.175 258 L CB -1.432 40.678 42.059 0.086 0.000 1.434 258 L HN 0.707 nan 8.230 nan 0.000 0.591 259 D N 0.543 121.069 120.400 0.209 0.000 2.224 259 D HA -0.011 4.629 4.640 0.000 0.000 0.205 259 D C 1.972 178.459 176.300 0.311 0.000 0.965 259 D CA 1.407 55.553 54.000 0.242 0.000 0.852 259 D CB -0.153 40.779 40.800 0.221 0.000 0.947 259 D HN 0.549 nan 8.370 nan 0.000 0.494 260 G N 0.420 109.419 108.800 0.332 0.000 2.509 260 G HA2 -0.280 3.681 3.960 0.000 0.000 0.218 260 G HA3 -0.280 3.681 3.960 0.000 0.000 0.218 260 G C 1.605 176.577 174.900 0.120 0.000 1.124 260 G CA 0.196 45.428 45.100 0.220 0.000 0.776 260 G HN 0.216 nan 8.290 nan 0.000 0.547 261 R N -0.590 119.970 120.500 0.100 0.000 2.159 261 R HA -0.005 4.335 4.340 0.000 0.000 0.237 261 R C 2.112 178.427 176.300 0.025 0.000 1.131 261 R CA 0.767 56.898 56.100 0.051 0.000 0.982 261 R CB -0.232 30.098 30.300 0.049 0.000 0.868 261 R HN 0.337 nan 8.270 nan 0.000 0.453 262 L N -0.196 121.048 121.223 0.036 0.000 2.275 262 L HA -0.038 4.302 4.340 0.000 0.000 0.215 262 L C 1.746 178.535 176.870 -0.135 0.000 1.119 262 L CA 1.497 56.315 54.840 -0.037 0.000 0.790 262 L CB -0.136 41.908 42.059 -0.025 0.000 0.919 262 L HN 0.178 nan 8.230 nan 0.000 0.443 263 A N -1.125 121.628 122.820 -0.112 0.000 2.507 263 A HA 0.514 4.834 4.320 0.000 0.000 0.270 263 A C 1.554 179.103 177.584 -0.058 0.000 1.318 263 A CA 0.366 52.317 52.037 -0.143 0.000 0.924 263 A CB -0.707 18.238 19.000 -0.091 0.000 1.061 263 A HN 0.398 nan 8.150 nan 0.000 0.516 264 G N -0.192 108.585 108.800 -0.039 0.000 2.179 264 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 264 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 264 G C -0.004 174.886 174.900 -0.017 0.000 1.010 264 G CA 0.596 45.680 45.100 -0.026 0.000 0.736 264 G HN 0.566 nan 8.290 nan 0.000 0.513 265 I N 0.467 121.033 120.570 -0.007 0.000 2.362 265 I HA 0.407 4.577 4.170 0.000 0.000 0.289 265 I C 1.385 177.504 176.117 0.003 0.000 0.994 265 I CA -0.698 60.594 61.300 -0.014 0.000 1.158 265 I CB 1.653 39.632 38.000 -0.035 0.000 1.315 265 I HN 0.050 nan 8.210 nan 0.000 0.451 266 V N 1.349 121.262 119.914 -0.001 0.000 3.473 266 V HA 0.143 4.263 4.120 0.000 0.000 0.253 266 V C 0.897 176.996 176.094 0.009 0.000 1.340 266 V CA -0.094 62.212 62.300 0.011 0.000 1.103 266 V CB -0.293 31.536 31.823 0.010 0.000 0.881 266 V HN 0.810 nan 8.190 nan 0.000 0.451 267 Q N 2.760 122.557 119.800 -0.004 0.000 2.339 267 Q HA 0.091 4.431 4.340 0.000 0.000 0.308 267 Q C -2.257 173.747 176.000 0.006 0.000 1.097 267 Q CA -0.960 54.840 55.803 -0.004 0.000 1.007 267 Q CB 0.524 29.249 28.738 -0.022 0.000 1.051 267 Q HN 0.382 nan 8.270 nan 0.000 0.381 268 P HA -0.039 nan 4.420 nan 0.000 0.272 268 P C -0.655 176.670 177.300 0.042 0.000 1.230 268 P CA -0.303 62.818 63.100 0.035 0.000 0.788 268 P CB 0.498 32.220 31.700 0.036 0.000 0.949 269 N N 2.202 120.937 118.700 0.058 0.000 2.483 269 N HA -0.049 4.691 4.740 0.000 0.000 0.264 269 N C 0.406 175.960 175.510 0.074 0.000 1.197 269 N CA 0.247 53.343 53.050 0.076 0.000 0.927 269 N CB 0.371 38.909 38.487 0.085 0.000 1.065 269 N HN 0.390 nan 8.380 nan 0.000 0.461 270 D N 2.050 122.511 120.400 0.102 0.000 2.349 270 D HA 0.095 4.736 4.640 0.000 0.000 0.214 270 D C 1.018 177.366 176.300 0.080 0.000 1.063 270 D CA 0.326 54.384 54.000 0.096 0.000 0.847 270 D CB -0.425 40.453 40.800 0.131 0.000 0.933 270 D HN 0.684 nan 8.370 nan 0.000 0.513 271 G N 0.436 109.281 108.800 0.075 0.000 2.225 271 G HA2 -0.283 3.677 3.960 0.000 0.000 0.267 271 G HA3 -0.283 3.677 3.960 0.000 0.000 0.267 271 G C 0.009 174.913 174.900 0.007 0.000 1.024 271 G CA 0.241 45.355 45.100 0.024 0.000 0.784 271 G HN 0.396 nan 8.290 nan 0.000 0.507 272 Q N -1.182 118.645 119.800 0.044 0.000 2.215 272 Q HA 0.503 4.844 4.340 0.000 0.000 0.256 272 Q C 0.407 176.277 176.000 -0.216 0.000 0.972 272 Q CA -0.633 55.111 55.803 -0.097 0.000 0.889 272 Q CB 1.952 30.609 28.738 -0.135 0.000 1.281 272 Q HN 0.429 nan 8.270 nan 0.000 0.456 273 c N 2.850 121.275 118.600 -0.292 0.000 2.415 273 c HA 0.279 4.850 4.570 0.000 0.000 0.369 273 c C 0.019 173.885 174.090 -0.373 0.000 1.279 273 c CA -0.063 56.141 56.329 -0.209 0.000 1.886 273 c CB -0.903 41.537 42.510 -0.116 0.000 2.468 273 c HN 0.641 nan 8.230 nan 0.000 0.553 274 H N 4.472 123.663 119.070 0.201 0.000 2.624 274 H HA 0.295 4.851 4.556 0.000 0.000 0.233 274 H C -0.814 174.666 175.328 0.253 0.000 1.376 274 H CA -0.041 56.132 56.048 0.208 0.000 1.137 274 H CB 0.522 30.412 29.762 0.214 0.000 1.867 274 H HN 0.470 nan 8.280 nan 0.000 0.547 275 V N 1.181 121.244 119.914 0.248 0.000 2.327 275 V HA 0.335 4.455 4.120 0.000 0.000 0.272 275 V C 1.074 177.244 176.094 0.127 0.000 1.019 275 V CA -0.656 61.781 62.300 0.228 0.000 0.814 275 V CB 1.201 33.167 31.823 0.238 0.000 1.040 275 V HN 0.612 nan 8.190 nan 0.000 0.440 276 G N 2.652 111.526 108.800 0.124 0.000 2.514 276 G HA2 0.199 4.160 3.960 0.000 0.000 0.245 276 G HA3 0.199 4.160 3.960 0.000 0.000 0.245 276 G C 1.333 176.275 174.900 0.070 0.000 1.488 276 G CA 0.502 45.651 45.100 0.082 0.000 1.063 276 G HN 0.754 nan 8.290 nan 0.000 0.557 277 S N -0.193 115.543 115.700 0.059 0.000 2.474 277 S HA -0.121 4.349 4.470 0.000 0.000 0.235 277 S C 1.514 176.154 174.600 0.067 0.000 0.997 277 S CA 1.639 59.870 58.200 0.052 0.000 0.949 277 S CB -0.147 63.077 63.200 0.040 0.000 0.766 277 S HN 0.682 nan 8.310 nan 0.000 0.517 278 D N 1.278 121.732 120.400 0.090 0.000 2.340 278 D HA -0.043 4.598 4.640 0.000 0.000 0.220 278 D C -0.203 176.192 176.300 0.159 0.000 1.039 278 D CA 0.007 54.081 54.000 0.123 0.000 0.866 278 D CB -0.842 40.036 40.800 0.129 0.000 0.913 278 D HN 0.230 nan 8.370 nan 0.000 0.523 279 N N 0.972 119.738 118.700 0.111 0.000 2.740 279 N HA -0.181 4.559 4.740 0.000 0.000 0.248 279 N C -0.996 174.465 175.510 -0.081 0.000 1.062 279 N CA 0.723 53.803 53.050 0.049 0.000 0.704 279 N CB -1.995 36.509 38.487 0.028 0.000 0.968 279 N HN 0.608 nan 8.380 nan 0.000 0.547 280 H N -0.492 118.629 119.070 0.085 0.000 2.637 280 H HA 0.142 4.698 4.556 0.000 0.000 0.363 280 H C -0.570 174.913 175.328 0.258 0.000 1.131 280 H CA -0.573 55.549 56.048 0.123 0.000 1.183 280 H CB 1.166 30.985 29.762 0.094 0.000 1.637 280 H HN 0.080 nan 8.280 nan 0.000 0.531 281 Y N 3.366 123.867 120.300 0.335 0.000 2.730 281 Y HA -0.085 4.465 4.550 0.000 0.000 0.354 281 Y C 1.365 177.409 175.900 0.240 0.000 1.139 281 Y CA -0.318 57.977 58.100 0.325 0.000 1.516 281 Y CB 0.178 38.871 38.460 0.388 0.000 1.204 281 Y HN 0.576 nan 8.280 nan 0.000 0.520 282 S N 3.596 119.311 115.700 0.026 0.000 2.406 282 S HA -0.097 4.373 4.470 0.000 0.000 0.228 282 S C 1.860 176.253 174.600 -0.345 0.000 1.020 282 S CA 0.576 58.720 58.200 -0.094 0.000 0.965 282 S CB -0.382 62.820 63.200 0.002 0.000 0.798 282 S HN 0.698 nan 8.310 nan 0.000 0.488 283 A N 1.140 123.544 122.820 -0.694 0.000 2.238 283 A HA 0.326 4.646 4.320 0.000 0.000 0.208 283 A C 2.079 179.186 177.584 -0.795 0.000 1.177 283 A CA 0.793 52.392 52.037 -0.729 0.000 0.804 283 A CB -0.943 17.598 19.000 -0.766 0.000 0.823 283 A HN 0.517 nan 8.150 nan 0.000 0.482 284 S N 0.510 115.645 115.700 -0.943 0.000 2.374 284 S HA -0.194 4.276 4.470 0.000 0.000 0.227 284 S C 2.065 176.557 174.600 -0.180 0.000 1.037 284 S CA 2.566 60.547 58.200 -0.365 0.000 1.024 284 S CB -0.400 62.791 63.200 -0.016 0.000 0.861 284 S HN 0.817 nan 8.310 nan 0.000 0.456 285 T N -1.994 112.462 114.554 -0.163 0.000 3.081 285 T HA 0.115 4.465 4.350 0.000 0.000 0.250 285 T C 1.484 176.121 174.700 -0.105 0.000 1.100 285 T CA 1.080 63.125 62.100 -0.092 0.000 1.038 285 T CB -0.027 68.808 68.868 -0.055 0.000 0.962 285 T HN 0.553 nan 8.240 nan 0.000 0.516 286 T N -1.914 112.549 114.554 -0.152 0.000 2.959 286 T HA 0.464 4.814 4.350 0.000 0.000 0.254 286 T C 0.230 174.856 174.700 -0.123 0.000 1.003 286 T CA -0.563 61.460 62.100 -0.128 0.000 0.950 286 T CB 0.025 68.809 68.868 -0.140 0.000 1.090 286 T HN 0.363 nan 8.240 nan 0.000 0.503 287 M N 1.986 121.498 119.600 -0.146 0.000 2.535 287 M HA 0.537 5.017 4.480 0.000 0.000 0.314 287 M C -1.535 174.706 176.300 -0.099 0.000 1.153 287 M CA -0.781 54.461 55.300 -0.097 0.000 0.924 287 M CB 2.212 34.763 32.600 -0.083 0.000 1.710 287 M HN -0.057 nan 8.290 nan 0.000 0.451 288 D N 1.537 121.903 120.400 -0.057 0.000 2.344 288 D HA 0.164 4.805 4.640 0.000 0.000 0.244 288 D C -1.100 175.176 176.300 -0.040 0.000 1.134 288 D CA 0.356 54.314 54.000 -0.070 0.000 0.930 288 D CB 0.546 41.364 40.800 0.030 0.000 1.175 288 D HN 0.377 nan 8.370 nan 0.000 0.437 289 Y N 1.024 121.364 120.300 0.067 0.000 2.607 289 Y HA 0.141 4.691 4.550 0.000 0.000 0.348 289 Y C -1.296 174.648 175.900 0.073 0.000 1.261 289 Y CA -0.995 57.148 58.100 0.073 0.000 1.480 289 Y CB -0.336 38.157 38.460 0.055 0.000 1.358 289 Y HN 0.280 nan 8.280 nan 0.000 0.630 290 P HA 0.085 nan 4.420 nan 0.000 0.277 290 P C -0.705 176.693 177.300 0.164 0.000 1.240 290 P CA -0.515 62.671 63.100 0.144 0.000 0.798 290 P CB 1.189 32.929 31.700 0.067 0.000 0.979 291 S N 1.559 117.324 115.700 0.108 0.000 2.624 291 S HA 0.113 4.583 4.470 0.000 0.000 0.263 291 S C 1.278 175.929 174.600 0.085 0.000 1.287 291 S CA -0.546 57.714 58.200 0.100 0.000 0.990 291 S CB 0.058 63.300 63.200 0.070 0.000 0.950 291 S HN 0.326 nan 8.310 nan 0.000 0.561 292 L N 1.802 123.079 121.223 0.091 0.000 2.056 292 L HA 0.166 4.507 4.340 0.000 0.000 0.207 292 L C 2.389 179.260 176.870 0.002 0.000 1.078 292 L CA 2.352 57.228 54.840 0.061 0.000 0.749 292 L CB -1.414 40.706 42.059 0.101 0.000 0.901 292 L HN 0.988 nan 8.230 nan 0.000 0.433 293 G N -0.822 107.989 108.800 0.017 0.000 2.402 293 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 293 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 293 G C 1.534 176.421 174.900 -0.021 0.000 1.162 293 G CA 0.810 45.911 45.100 0.001 0.000 0.777 293 G HN 0.370 nan 8.290 nan 0.000 0.539 294 L N 0.308 121.523 121.223 -0.014 0.000 2.093 294 L HA 0.187 4.527 4.340 0.000 0.000 0.208 294 L C 2.653 179.483 176.870 -0.068 0.000 1.085 294 L CA 1.832 56.656 54.840 -0.027 0.000 0.755 294 L CB -0.390 41.666 42.059 -0.004 0.000 0.904 294 L HN 0.296 nan 8.230 nan 0.000 0.435 295 M N -1.511 118.030 119.600 -0.100 0.000 2.132 295 M HA -0.196 4.285 4.480 0.000 0.000 0.263 295 M C 1.959 178.145 176.300 -0.189 0.000 1.065 295 M CA 2.087 57.276 55.300 -0.185 0.000 1.122 295 M CB -0.204 32.215 32.600 -0.302 0.000 1.365 295 M HN 0.269 nan 8.290 nan 0.000 0.411 296 T N 0.248 114.712 114.554 -0.149 0.000 2.759 296 T HA -0.213 4.137 4.350 0.000 0.000 0.269 296 T C 1.556 176.192 174.700 -0.107 0.000 1.042 296 T CA 1.760 63.784 62.100 -0.125 0.000 1.140 296 T CB -0.316 68.506 68.868 -0.075 0.000 0.864 296 T HN 0.543 nan 8.240 nan 0.000 0.455 297 E N 0.633 120.781 120.200 -0.086 0.000 2.051 297 E HA -0.190 4.160 4.350 0.000 0.000 0.192 297 E C 2.044 178.588 176.600 -0.093 0.000 0.991 297 E CA 0.948 57.306 56.400 -0.071 0.000 0.799 297 E CB 0.118 29.788 29.700 -0.049 0.000 0.748 297 E HN 0.172 nan 8.360 nan 0.000 0.449 298 K N 0.535 120.867 120.400 -0.113 0.000 2.097 298 K HA -0.088 4.232 4.320 0.000 0.000 0.205 298 K C 2.305 178.800 176.600 -0.175 0.000 1.050 298 K CA 0.629 56.836 56.287 -0.134 0.000 0.938 298 K CB -0.537 31.878 32.500 -0.141 0.000 0.718 298 K HN 0.273 nan 8.250 nan 0.000 0.442 299 L N 0.928 122.033 121.223 -0.196 0.000 2.079 299 L HA -0.207 4.133 4.340 0.000 0.000 0.210 299 L C 2.680 179.435 176.870 -0.191 0.000 1.081 299 L CA 1.317 56.021 54.840 -0.227 0.000 0.752 299 L CB -0.465 41.453 42.059 -0.234 0.000 0.896 299 L HN 0.192 nan 8.230 nan 0.000 0.433 300 S N -0.755 114.860 115.700 -0.142 0.000 2.357 300 S HA -0.201 4.270 4.470 0.000 0.000 0.221 300 S C 1.937 176.480 174.600 -0.096 0.000 1.031 300 S CA 1.160 59.296 58.200 -0.107 0.000 0.982 300 S CB -0.045 63.108 63.200 -0.078 0.000 0.853 300 S HN 0.423 nan 8.310 nan 0.000 0.458 301 Q N 0.042 119.785 119.800 -0.095 0.000 2.096 301 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 301 Q C 1.411 177.350 176.000 -0.101 0.000 0.982 301 Q CA 1.110 56.866 55.803 -0.079 0.000 0.850 301 Q CB -0.044 28.649 28.738 -0.073 0.000 0.901 301 Q HN 0.299 nan 8.270 nan 0.000 0.422 302 K N 0.676 120.977 120.400 -0.165 0.000 2.417 302 K HA 0.064 4.384 4.320 0.000 0.000 0.196 302 K C -0.221 176.217 176.600 -0.271 0.000 1.023 302 K CA -0.011 56.128 56.287 -0.246 0.000 1.122 302 K CB 0.218 32.508 32.500 -0.350 0.000 0.850 302 K HN 0.178 nan 8.250 nan 0.000 0.521 303 N N 1.293 119.900 118.700 -0.155 0.000 2.725 303 N HA -0.188 4.552 4.740 0.000 0.000 0.251 303 N C -0.743 174.705 175.510 -0.103 0.000 1.031 303 N CA 0.695 53.698 53.050 -0.079 0.000 0.720 303 N CB -1.219 37.302 38.487 0.056 0.000 0.930 303 N HN 0.202 nan 8.380 nan 0.000 0.543 304 I N 0.418 120.827 120.570 -0.268 0.000 2.359 304 I HA 0.192 4.362 4.170 0.000 0.000 0.294 304 I C 0.537 176.505 176.117 -0.248 0.000 0.987 304 I CA -0.474 60.611 61.300 -0.358 0.000 1.225 304 I CB 1.261 38.953 38.000 -0.512 0.000 1.366 304 I HN 0.027 nan 8.210 nan 0.000 0.466 305 N N 5.265 123.846 118.700 -0.197 0.000 2.527 305 N HA 0.284 5.025 4.740 0.000 0.000 0.236 305 N C -0.581 174.838 175.510 -0.151 0.000 0.999 305 N CA -0.512 52.448 53.050 -0.151 0.000 0.935 305 N CB 1.027 39.453 38.487 -0.101 0.000 1.132 305 N HN 0.356 nan 8.380 nan 0.000 0.511 306 L N 4.301 125.385 121.223 -0.232 0.000 2.313 306 L HA 0.395 4.736 4.340 0.000 0.000 0.282 306 L C -0.794 175.855 176.870 -0.369 0.000 1.092 306 L CA 0.016 54.649 54.840 -0.347 0.000 0.831 306 L CB 0.138 41.872 42.059 -0.542 0.000 1.159 306 L HN 0.476 nan 8.230 nan 0.000 0.442 307 I N 6.091 126.509 120.570 -0.253 0.000 2.307 307 I HA 0.170 4.340 4.170 0.000 0.000 0.289 307 I C -0.699 175.344 176.117 -0.123 0.000 1.021 307 I CA -0.401 60.819 61.300 -0.133 0.000 1.224 307 I CB 0.534 38.538 38.000 0.006 0.000 1.376 307 I HN 0.436 nan 8.210 nan 0.000 0.470 308 F N 5.462 125.472 119.950 0.101 0.000 2.515 308 F HA 0.298 4.825 4.527 0.000 0.000 0.353 308 F C 0.999 176.830 175.800 0.051 0.000 1.213 308 F CA -0.480 57.585 58.000 0.109 0.000 1.194 308 F CB 0.393 39.467 39.000 0.123 0.000 1.488 308 F HN 0.473 nan 8.300 nan 0.000 0.619 309 A N 4.120 127.039 122.820 0.165 0.000 2.650 309 A HA 0.598 4.918 4.320 0.000 0.000 0.320 309 A C -0.239 177.358 177.584 0.022 0.000 1.466 309 A CA -0.390 51.695 52.037 0.080 0.000 1.099 309 A CB -0.511 18.510 19.000 0.034 0.000 1.136 309 A HN 0.537 nan 8.150 nan 0.000 0.532 310 V N 0.280 120.223 119.914 0.048 0.000 3.001 310 V HA 0.863 4.983 4.120 0.000 0.000 0.314 310 V C 0.200 176.337 176.094 0.071 0.000 1.099 310 V CA -0.304 62.008 62.300 0.021 0.000 0.989 310 V CB 1.180 32.998 31.823 -0.008 0.000 1.040 310 V HN 0.809 nan 8.190 nan 0.000 0.434 311 T N -1.090 113.508 114.554 0.073 0.000 2.860 311 T HA 0.313 4.664 4.350 0.000 0.000 0.299 311 T C 0.854 175.605 174.700 0.085 0.000 1.045 311 T CA 0.354 62.497 62.100 0.072 0.000 1.071 311 T CB 0.940 69.844 68.868 0.060 0.000 0.985 311 T HN 0.842 nan 8.240 nan 0.000 0.537 312 E N 1.322 121.562 120.200 0.067 0.000 2.097 312 E HA -0.251 4.099 4.350 0.000 0.000 0.196 312 E C 2.319 178.953 176.600 0.057 0.000 1.000 312 E CA 1.524 57.960 56.400 0.060 0.000 0.804 312 E CB -0.197 29.531 29.700 0.046 0.000 0.740 312 E HN 0.815 nan 8.360 nan 0.000 0.454 313 N N 0.761 119.493 118.700 0.054 0.000 2.132 313 N HA -0.179 4.561 4.740 0.000 0.000 0.191 313 N C 1.559 177.098 175.510 0.047 0.000 1.015 313 N CA 1.300 54.377 53.050 0.044 0.000 0.864 313 N CB -0.263 38.250 38.487 0.044 0.000 1.006 313 N HN 0.106 nan 8.380 nan 0.000 0.430 314 V N 0.379 120.345 119.914 0.087 0.000 3.070 314 V HA 0.169 4.289 4.120 0.000 0.000 0.345 314 V C 1.569 177.762 176.094 0.165 0.000 1.403 314 V CA -0.156 62.208 62.300 0.106 0.000 1.155 314 V CB 0.219 32.157 31.823 0.191 0.000 1.140 314 V HN 0.019 nan 8.190 nan 0.000 0.505 315 V N 1.191 121.178 119.914 0.122 0.000 2.270 315 V HA -0.172 3.948 4.120 0.000 0.000 0.245 315 V C 2.353 178.488 176.094 0.068 0.000 1.043 315 V CA 2.555 64.934 62.300 0.130 0.000 1.014 315 V CB -0.554 31.323 31.823 0.090 0.000 0.645 315 V HN 0.654 nan 8.190 nan 0.000 0.447 316 N N 0.170 118.873 118.700 0.005 0.000 2.205 316 N HA -0.175 4.565 4.740 0.000 0.000 0.186 316 N C 1.562 176.988 175.510 -0.140 0.000 1.015 316 N CA 1.361 54.382 53.050 -0.049 0.000 0.862 316 N CB -0.625 37.831 38.487 -0.053 0.000 0.986 316 N HN 0.405 nan 8.380 nan 0.000 0.429 317 L N -0.083 121.020 121.223 -0.200 0.000 1.970 317 L HA -0.158 4.182 4.340 0.000 0.000 0.212 317 L C 1.645 178.168 176.870 -0.579 0.000 1.071 317 L CA 1.738 56.311 54.840 -0.444 0.000 0.751 317 L CB -0.879 40.883 42.059 -0.496 0.000 0.889 317 L HN 0.117 nan 8.230 nan 0.000 0.432 318 Y N -0.878 119.289 120.300 -0.222 0.000 2.395 318 Y HA -0.132 4.418 4.550 0.000 0.000 0.293 318 Y C 2.673 178.428 175.900 -0.241 0.000 1.123 318 Y CA 1.196 59.132 58.100 -0.272 0.000 1.227 318 Y CB -0.481 37.823 38.460 -0.260 0.000 1.012 318 Y HN 0.383 nan 8.280 nan 0.000 0.552 319 Q N 0.867 120.675 119.800 0.012 0.000 2.119 319 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 319 Q C 1.483 177.472 176.000 -0.018 0.000 0.972 319 Q CA 1.845 57.669 55.803 0.034 0.000 0.847 319 Q CB -0.360 28.396 28.738 0.031 0.000 0.903 319 Q HN 0.257 nan 8.270 nan 0.000 0.433 320 N N -0.871 117.749 118.700 -0.133 0.000 2.381 320 N HA -0.106 4.635 4.740 0.000 0.000 0.182 320 N C 1.016 176.455 175.510 -0.119 0.000 1.025 320 N CA 0.850 53.804 53.050 -0.161 0.000 0.888 320 N CB -0.208 38.121 38.487 -0.264 0.000 0.965 320 N HN 0.334 nan 8.380 nan 0.000 0.438 321 Y N 0.618 120.867 120.300 -0.084 0.000 2.263 321 Y HA 0.040 4.590 4.550 0.000 0.000 0.292 321 Y C 2.661 178.604 175.900 0.072 0.000 1.130 321 Y CA 0.362 58.439 58.100 -0.039 0.000 1.179 321 Y CB -0.777 37.597 38.460 -0.143 0.000 0.998 321 Y HN -0.004 nan 8.280 nan 0.000 0.532 322 S N -0.342 115.513 115.700 0.259 0.000 2.419 322 S HA -0.149 4.322 4.470 0.000 0.000 0.233 322 S C 1.926 176.623 174.600 0.161 0.000 1.016 322 S CA 0.972 59.348 58.200 0.294 0.000 0.974 322 S CB -0.138 63.246 63.200 0.307 0.000 0.786 322 S HN 0.406 nan 8.310 nan 0.000 0.492 323 E N 1.033 121.298 120.200 0.108 0.000 2.051 323 E HA -0.100 4.250 4.350 0.000 0.000 0.192 323 E C 2.066 178.704 176.600 0.064 0.000 0.991 323 E CA 1.068 57.506 56.400 0.064 0.000 0.799 323 E CB -0.372 29.348 29.700 0.034 0.000 0.748 323 E HN 0.533 nan 8.360 nan 0.000 0.449 324 L N 0.468 121.745 121.223 0.090 0.000 2.109 324 L HA 0.021 4.361 4.340 0.000 0.000 0.207 324 L C 1.300 178.211 176.870 0.068 0.000 1.086 324 L CA 0.448 55.336 54.840 0.080 0.000 0.760 324 L CB -0.064 42.062 42.059 0.111 0.000 0.910 324 L HN -0.031 nan 8.230 nan 0.000 0.437 325 I N 2.171 122.800 120.570 0.099 0.000 2.297 325 I HA 0.189 4.359 4.170 0.000 0.000 0.291 325 I C -2.096 174.042 176.117 0.034 0.000 1.033 325 I CA -1.950 59.386 61.300 0.059 0.000 1.253 325 I CB 0.998 39.053 38.000 0.091 0.000 1.396 325 I HN -0.157 nan 8.210 nan 0.000 0.476 326 P HA 0.162 nan 4.420 nan 0.000 0.277 326 P C 0.674 177.947 177.300 -0.045 0.000 1.240 326 P CA 0.176 63.261 63.100 -0.025 0.000 0.798 326 P CB 1.268 32.941 31.700 -0.045 0.000 0.979 327 G N 0.687 109.462 108.800 -0.042 0.000 2.143 327 G HA2 -0.189 3.771 3.960 0.000 0.000 0.249 327 G HA3 -0.189 3.771 3.960 0.000 0.000 0.249 327 G C 0.263 175.126 174.900 -0.062 0.000 0.981 327 G CA 0.509 45.572 45.100 -0.062 0.000 0.665 327 G HN 0.911 nan 8.290 nan 0.000 0.528 328 T N -1.554 112.984 114.554 -0.026 0.000 2.936 328 T HA 0.855 5.206 4.350 0.000 0.000 0.282 328 T C -0.021 174.708 174.700 0.049 0.000 1.003 328 T CA 0.409 62.499 62.100 -0.016 0.000 1.005 328 T CB 2.470 71.365 68.868 0.045 0.000 1.097 328 T HN 1.448 nan 8.240 nan 0.000 0.532 329 T N -1.831 112.769 114.554 0.076 0.000 2.889 329 T HA 0.609 4.959 4.350 0.000 0.000 0.315 329 T C -1.003 173.816 174.700 0.200 0.000 1.291 329 T CA -0.850 61.323 62.100 0.121 0.000 1.028 329 T CB 1.092 70.005 68.868 0.075 0.000 1.235 329 T HN 0.682 nan 8.240 nan 0.000 0.491 330 V N 0.582 120.621 119.914 0.208 0.000 2.667 330 V HA 0.928 5.048 4.120 0.000 0.000 0.308 330 V C 0.634 176.824 176.094 0.160 0.000 1.048 330 V CA -0.556 61.888 62.300 0.241 0.000 0.928 330 V CB 1.777 33.740 31.823 0.233 0.000 1.004 330 V HN 1.379 nan 8.190 nan 0.000 0.444 331 G N 1.452 110.345 108.800 0.154 0.000 2.687 331 G HA2 0.545 4.505 3.960 0.000 0.000 0.301 331 G HA3 0.545 4.505 3.960 0.000 0.000 0.301 331 G C -1.126 173.836 174.900 0.103 0.000 1.416 331 G CA -0.544 44.624 45.100 0.114 0.000 1.005 331 G HN 0.550 nan 8.290 nan 0.000 0.509 332 V N 3.411 123.378 119.914 0.087 0.000 2.381 332 V HA 0.121 4.242 4.120 0.000 0.000 0.257 332 V C 0.526 176.662 176.094 0.070 0.000 1.057 332 V CA -0.341 62.006 62.300 0.078 0.000 1.013 332 V CB 0.362 32.225 31.823 0.066 0.000 1.069 332 V HN 0.618 nan 8.190 nan 0.000 0.484 333 L N 6.056 127.320 121.223 0.068 0.000 2.395 333 L HA 0.447 4.787 4.340 0.000 0.000 0.269 333 L C 0.894 177.798 176.870 0.057 0.000 1.133 333 L CA 0.690 55.568 54.840 0.062 0.000 0.812 333 L CB 1.596 43.687 42.059 0.053 0.000 1.125 333 L HN 0.785 nan 8.230 nan 0.000 0.452 334 S N 4.349 120.082 115.700 0.056 0.000 2.624 334 S HA 0.196 4.666 4.470 0.000 0.000 0.263 334 S C 1.069 175.697 174.600 0.047 0.000 1.287 334 S CA -0.709 57.521 58.200 0.050 0.000 0.990 334 S CB 0.667 63.897 63.200 0.049 0.000 0.950 334 S HN 0.678 nan 8.310 nan 0.000 0.561 335 M N 1.518 121.143 119.600 0.041 0.000 2.460 335 M HA -0.040 4.440 4.480 0.000 0.000 0.263 335 M C 0.773 177.094 176.300 0.035 0.000 1.071 335 M CA 1.083 56.404 55.300 0.035 0.000 1.096 335 M CB -1.319 31.298 32.600 0.029 0.000 1.408 335 M HN 0.888 nan 8.290 nan 0.000 0.463 336 D N -1.946 118.481 120.400 0.045 0.000 2.431 336 D HA 0.084 4.724 4.640 0.000 0.000 0.213 336 D C 0.089 176.433 176.300 0.073 0.000 1.130 336 D CA 0.096 54.129 54.000 0.055 0.000 0.834 336 D CB -0.168 40.669 40.800 0.061 0.000 0.985 336 D HN 0.069 nan 8.370 nan 0.000 0.504 337 S N -0.403 115.340 115.700 0.072 0.000 3.581 337 S HA -0.214 4.256 4.470 0.000 0.000 0.354 337 S C 1.202 175.855 174.600 0.087 0.000 1.059 337 S CA 0.817 59.072 58.200 0.091 0.000 1.060 337 S CB -2.237 61.036 63.200 0.122 0.000 0.908 337 S HN 0.632 nan 8.310 nan 0.000 0.475 338 S N 0.702 116.445 115.700 0.071 0.000 2.528 338 S HA -0.005 4.465 4.470 0.000 0.000 0.219 338 S C 1.128 175.759 174.600 0.053 0.000 0.985 338 S CA 0.365 58.601 58.200 0.060 0.000 0.914 338 S CB -0.146 63.089 63.200 0.059 0.000 0.776 338 S HN 0.811 nan 8.310 nan 0.000 0.526 339 N N 0.939 119.675 118.700 0.060 0.000 2.234 339 N HA 0.121 4.861 4.740 0.000 0.000 0.227 339 N C 1.001 176.552 175.510 0.069 0.000 1.151 339 N CA -0.039 53.045 53.050 0.057 0.000 0.865 339 N CB 0.184 38.703 38.487 0.054 0.000 1.066 339 N HN 0.258 nan 8.380 nan 0.000 0.515 340 V N 0.555 120.521 119.914 0.087 0.000 2.515 340 V HA -0.140 3.980 4.120 0.000 0.000 0.250 340 V C 2.136 178.289 176.094 0.099 0.000 1.058 340 V CA 1.074 63.446 62.300 0.120 0.000 1.064 340 V CB -0.429 31.512 31.823 0.198 0.000 0.675 340 V HN 0.296 nan 8.190 nan 0.000 0.461 341 L N 0.504 121.761 121.223 0.057 0.000 1.989 341 L HA -0.202 4.138 4.340 0.000 0.000 0.211 341 L C 2.427 179.319 176.870 0.037 0.000 1.071 341 L CA 2.813 57.669 54.840 0.026 0.000 0.749 341 L CB -1.089 40.969 42.059 -0.002 0.000 0.890 341 L HN 0.485 nan 8.230 nan 0.000 0.431 342 Q N -0.700 119.126 119.800 0.044 0.000 2.172 342 Q HA -0.152 4.189 4.340 0.000 0.000 0.200 342 Q C 2.240 178.279 176.000 0.065 0.000 0.964 342 Q CA 1.761 57.594 55.803 0.050 0.000 0.855 342 Q CB -0.502 28.263 28.738 0.046 0.000 0.918 342 Q HN 0.635 nan 8.270 nan 0.000 0.444 343 L N -0.479 120.789 121.223 0.074 0.000 2.042 343 L HA -0.159 4.181 4.340 0.000 0.000 0.210 343 L C 1.955 178.883 176.870 0.095 0.000 1.076 343 L CA 1.226 56.117 54.840 0.085 0.000 0.749 343 L CB -0.157 41.956 42.059 0.090 0.000 0.893 343 L HN 0.318 nan 8.230 nan 0.000 0.432 344 I N -1.443 119.186 120.570 0.097 0.000 2.202 344 I HA -0.267 3.903 4.170 0.000 0.000 0.242 344 I C 2.401 178.587 176.117 0.115 0.000 1.091 344 I CA 1.058 62.420 61.300 0.105 0.000 1.368 344 I CB -0.327 37.726 38.000 0.089 0.000 1.058 344 I HN 0.052 nan 8.210 nan 0.000 0.410 345 V N 1.035 121.005 119.914 0.093 0.000 2.332 345 V HA -0.322 3.798 4.120 0.000 0.000 0.248 345 V C 2.048 178.227 176.094 0.142 0.000 1.055 345 V CA 2.120 64.488 62.300 0.113 0.000 1.038 345 V CB -0.708 31.161 31.823 0.076 0.000 0.651 345 V HN 0.421 nan 8.190 nan 0.000 0.450 346 D N 0.218 120.683 120.400 0.108 0.000 2.144 346 D HA -0.074 4.566 4.640 0.000 0.000 0.200 346 D C 2.214 178.574 176.300 0.100 0.000 0.978 346 D CA 1.533 55.590 54.000 0.094 0.000 0.833 346 D CB -0.343 40.504 40.800 0.078 0.000 0.961 346 D HN 0.454 nan 8.370 nan 0.000 0.470 347 A N 0.209 123.099 122.820 0.116 0.000 1.898 347 A HA -0.213 4.107 4.320 0.000 0.000 0.216 347 A C 2.173 179.838 177.584 0.135 0.000 1.181 347 A CA 1.082 53.187 52.037 0.113 0.000 0.620 347 A CB -0.958 18.111 19.000 0.115 0.000 0.819 347 A HN 0.273 nan 8.150 nan 0.000 0.442 348 Y N 0.893 121.216 120.300 0.039 0.000 2.145 348 Y HA -0.088 4.462 4.550 0.000 0.000 0.286 348 Y C 2.493 178.415 175.900 0.037 0.000 1.145 348 Y CA 1.470 59.592 58.100 0.036 0.000 1.148 348 Y CB -0.900 37.585 38.460 0.041 0.000 0.981 348 Y HN 0.220 nan 8.280 nan 0.000 0.507 349 G N -0.279 108.524 108.800 0.005 0.000 2.432 349 G HA2 -0.297 3.664 3.960 0.000 0.000 0.219 349 G HA3 -0.297 3.664 3.960 0.000 0.000 0.219 349 G C 1.750 176.608 174.900 -0.071 0.000 1.135 349 G CA 0.963 46.017 45.100 -0.076 0.000 0.767 349 G HN 0.420 nan 8.290 nan 0.000 0.550 350 K N -0.010 120.379 120.400 -0.019 0.000 2.031 350 K HA 0.109 4.429 4.320 0.000 0.000 0.205 350 K C 2.457 179.039 176.600 -0.030 0.000 1.049 350 K CA 0.621 56.903 56.287 -0.008 0.000 0.939 350 K CB -0.226 32.290 32.500 0.026 0.000 0.717 350 K HN 0.310 nan 8.250 nan 0.000 0.438 351 I N 1.087 121.634 120.570 -0.039 0.000 2.208 351 I HA -0.273 3.898 4.170 0.000 0.000 0.245 351 I C 2.163 178.227 176.117 -0.087 0.000 1.097 351 I CA 1.094 62.362 61.300 -0.053 0.000 1.363 351 I CB -0.118 37.856 38.000 -0.043 0.000 1.051 351 I HN 0.134 nan 8.210 nan 0.000 0.413 352 R N 0.010 120.409 120.500 -0.169 0.000 2.307 352 R HA 0.012 4.352 4.340 0.000 0.000 0.199 352 R C 2.256 178.507 176.300 -0.083 0.000 1.000 352 R CA 0.530 56.538 56.100 -0.154 0.000 1.023 352 R CB -0.459 29.650 30.300 -0.318 0.000 0.908 352 R HN 0.294 nan 8.270 nan 0.000 0.473 353 S N 0.564 116.225 115.700 -0.065 0.000 2.402 353 S HA -0.081 4.389 4.470 0.000 0.000 0.229 353 S C 0.939 175.529 174.600 -0.016 0.000 1.021 353 S CA 0.922 59.100 58.200 -0.035 0.000 0.974 353 S CB 0.237 63.423 63.200 -0.023 0.000 0.800 353 S HN 0.187 nan 8.310 nan 0.000 0.484 354 K N 0.448 120.842 120.400 -0.009 0.000 2.156 354 K HA 0.563 4.884 4.320 0.000 0.000 0.254 354 K C -1.735 174.884 176.600 0.032 0.000 0.950 354 K CA -0.662 55.631 56.287 0.010 0.000 0.849 354 K CB 1.834 34.336 32.500 0.003 0.000 1.100 354 K HN 0.015 nan 8.250 nan 0.000 0.434 355 V N 3.588 123.538 119.914 0.059 0.000 2.398 355 V HA 0.236 4.357 4.120 0.000 0.000 0.282 355 V C -0.809 175.329 176.094 0.073 0.000 1.014 355 V CA -0.714 61.642 62.300 0.094 0.000 0.838 355 V CB 1.150 33.057 31.823 0.140 0.000 1.018 355 V HN 0.820 nan 8.190 nan 0.000 0.432 356 E N 4.263 124.457 120.200 -0.010 0.000 2.179 356 E HA 0.648 4.998 4.350 0.000 0.000 0.275 356 E C -1.240 175.245 176.600 -0.192 0.000 0.945 356 E CA -0.680 55.651 56.400 -0.115 0.000 0.792 356 E CB 1.686 31.328 29.700 -0.096 0.000 1.125 356 E HN 0.567 nan 8.360 nan 0.000 0.397 357 L N 3.783 124.782 121.223 -0.374 0.000 2.325 357 L HA 0.383 4.723 4.340 0.000 0.000 0.279 357 L C -0.161 176.526 176.870 -0.304 0.000 1.054 357 L CA -0.448 54.162 54.840 -0.382 0.000 0.804 357 L CB 1.307 42.986 42.059 -0.634 0.000 1.200 357 L HN 0.631 nan 8.230 nan 0.000 0.436 358 E N 2.161 122.255 120.200 -0.176 0.000 2.248 358 E HA 0.584 4.934 4.350 0.000 0.000 0.267 358 E C -1.441 175.139 176.600 -0.033 0.000 0.877 358 E CA -0.911 55.418 56.400 -0.117 0.000 0.759 358 E CB 2.311 31.967 29.700 -0.073 0.000 1.182 358 E HN 0.165 nan 8.360 nan 0.000 0.418 359 V N 2.505 122.419 119.914 0.000 0.000 2.644 359 V HA 0.496 4.616 4.120 0.000 0.000 0.295 359 V C 0.117 176.264 176.094 0.088 0.000 1.053 359 V CA -0.650 61.713 62.300 0.104 0.000 0.987 359 V CB 1.312 33.210 31.823 0.125 0.000 1.006 359 V HN 0.696 nan 8.190 nan 0.000 0.472 360 R N 2.040 122.626 120.500 0.143 0.000 2.574 360 R HA 0.346 4.687 4.340 0.000 0.000 0.288 360 R C -1.050 175.338 176.300 0.147 0.000 1.004 360 R CA -0.470 55.695 56.100 0.109 0.000 0.895 360 R CB 1.219 31.569 30.300 0.084 0.000 1.191 360 R HN 0.885 nan 8.270 nan 0.000 0.444 361 D N 2.215 122.676 120.400 0.101 0.000 2.723 361 D HA -0.221 4.420 4.640 0.000 0.000 0.236 361 D C -0.439 175.943 176.300 0.137 0.000 1.138 361 D CA 0.719 54.783 54.000 0.107 0.000 0.676 361 D CB -0.784 40.081 40.800 0.109 0.000 1.069 361 D HN 0.234 nan 8.370 nan 0.000 0.430 362 L N 0.885 122.151 121.223 0.072 0.000 2.360 362 L HA 0.332 4.672 4.340 0.000 0.000 0.276 362 L C -1.808 175.058 176.870 -0.007 0.000 1.121 362 L CA -0.905 53.910 54.840 -0.042 0.000 0.845 362 L CB 0.331 42.292 42.059 -0.163 0.000 1.143 362 L HN -0.211 nan 8.230 nan 0.000 0.452 363 P HA 0.119 nan 4.420 nan 0.000 0.269 363 P C 0.212 177.523 177.300 0.019 0.000 1.215 363 P CA -0.210 62.920 63.100 0.050 0.000 0.780 363 P CB 0.532 32.300 31.700 0.114 0.000 0.898 364 E N 0.772 120.987 120.200 0.025 0.000 2.118 364 E HA -0.233 4.117 4.350 0.000 0.000 0.195 364 E C 1.283 177.891 176.600 0.014 0.000 0.992 364 E CA 1.367 57.778 56.400 0.019 0.000 0.804 364 E CB -0.129 29.581 29.700 0.016 0.000 0.741 364 E HN 0.545 nan 8.360 nan 0.000 0.458 365 E N 0.411 120.614 120.200 0.006 0.000 2.268 365 E HA -0.042 4.308 4.350 0.000 0.000 0.195 365 E C 0.254 176.863 176.600 0.015 0.000 0.995 365 E CA 0.491 56.882 56.400 -0.016 0.000 0.836 365 E CB 0.074 29.723 29.700 -0.086 0.000 0.763 365 E HN 0.160 nan 8.360 nan 0.000 0.491 366 L N 0.521 121.760 121.223 0.026 0.000 2.379 366 L HA 0.357 4.697 4.340 0.000 0.000 0.269 366 L C 0.030 176.884 176.870 -0.027 0.000 1.084 366 L CA -0.721 54.123 54.840 0.008 0.000 0.802 366 L CB 1.418 43.448 42.059 -0.049 0.000 1.175 366 L HN -0.054 nan 8.230 nan 0.000 0.448 367 S N 2.418 118.105 115.700 -0.023 0.000 2.541 367 S HA 0.795 5.265 4.470 0.000 0.000 0.280 367 S C -1.050 173.508 174.600 -0.070 0.000 1.112 367 S CA -0.898 57.291 58.200 -0.018 0.000 0.925 367 S CB 1.611 64.843 63.200 0.053 0.000 1.067 367 S HN 0.440 nan 8.310 nan 0.000 0.479 368 L N 1.926 123.088 121.223 -0.102 0.000 2.362 368 L HA 0.791 5.131 4.340 0.000 0.000 0.271 368 L C -0.219 176.484 176.870 -0.278 0.000 1.002 368 L CA -0.647 54.058 54.840 -0.226 0.000 0.818 368 L CB 2.263 44.168 42.059 -0.258 0.000 1.298 368 L HN 0.833 nan 8.230 nan 0.000 0.420 369 S N 1.701 117.130 115.700 -0.452 0.000 2.521 369 S HA 0.791 5.261 4.470 0.000 0.000 0.295 369 S C -1.284 172.985 174.600 -0.552 0.000 1.098 369 S CA -0.377 57.621 58.200 -0.336 0.000 0.999 369 S CB 0.830 63.915 63.200 -0.191 0.000 1.034 369 S HN 0.318 nan 8.310 nan 0.000 0.483 370 F N 3.066 122.953 119.950 -0.106 0.000 2.520 370 F HA 0.555 5.082 4.527 0.000 0.000 0.322 370 F C 0.125 175.900 175.800 -0.042 0.000 1.103 370 F CA -0.902 57.049 58.000 -0.082 0.000 0.926 370 F CB 1.919 40.861 39.000 -0.097 0.000 1.154 370 F HN 0.434 nan 8.300 nan 0.000 0.453 371 N N 1.669 120.459 118.700 0.150 0.000 2.314 371 N HA 0.686 5.426 4.740 0.000 0.000 0.294 371 N C -1.032 174.582 175.510 0.173 0.000 1.029 371 N CA -0.656 52.461 53.050 0.111 0.000 0.845 371 N CB 2.109 40.614 38.487 0.031 0.000 1.321 371 N HN 0.694 nan 8.380 nan 0.000 0.481 372 A N 0.996 123.909 122.820 0.155 0.000 2.312 372 A HA 0.754 5.074 4.320 0.000 0.000 0.328 372 A C -0.342 177.203 177.584 -0.065 0.000 1.158 372 A CA -0.350 51.765 52.037 0.129 0.000 0.821 372 A CB 0.636 19.777 19.000 0.235 0.000 1.170 372 A HN 0.461 nan 8.150 nan 0.000 0.490 373 T N 1.942 116.354 114.554 -0.236 0.000 2.930 373 T HA 0.401 4.751 4.350 0.000 0.000 0.313 373 T C 0.005 174.552 174.700 -0.255 0.000 1.019 373 T CA -0.390 61.590 62.100 -0.200 0.000 1.004 373 T CB 0.100 68.864 68.868 -0.173 0.000 0.987 373 T HN 0.765 nan 8.240 nan 0.000 0.456 374 c N 2.426 120.923 118.600 -0.172 0.000 1.709 374 c HA 0.552 5.122 4.570 0.000 0.000 0.096 374 c C 0.910 174.929 174.090 -0.117 0.000 2.842 374 c CA -1.000 55.238 56.329 -0.152 0.000 1.887 374 c CB -0.614 41.837 42.510 -0.098 0.000 2.592 374 c HN 0.669 nan 8.230 nan 0.000 0.275 375 L N 2.271 123.441 121.223 -0.088 0.000 2.483 375 L HA 0.175 4.515 4.340 0.000 0.000 0.276 375 L C 0.246 177.075 176.870 -0.068 0.000 1.213 375 L CA 0.529 55.325 54.840 -0.073 0.000 0.843 375 L CB -0.400 41.623 42.059 -0.059 0.000 1.107 375 L HN 0.803 nan 8.230 nan 0.000 0.487 376 N N 1.345 120.008 118.700 -0.061 0.000 1.673 376 N HA -0.293 4.447 4.740 0.000 0.000 0.120 376 N C -0.224 175.248 175.510 -0.063 0.000 0.843 376 N CA 1.421 54.438 53.050 -0.056 0.000 0.859 376 N CB -0.605 37.853 38.487 -0.049 0.000 0.883 376 N HN 0.717 nan 8.380 nan 0.000 0.676 377 N N 0.403 119.070 118.700 -0.056 0.000 2.389 377 N HA 0.132 4.872 4.740 0.000 0.000 0.260 377 N C -0.996 174.481 175.510 -0.055 0.000 1.191 377 N CA -0.104 52.911 53.050 -0.058 0.000 0.885 377 N CB 0.375 38.833 38.487 -0.048 0.000 1.162 377 N HN 0.452 nan 8.380 nan 0.000 0.512 378 E N 1.478 121.643 120.200 -0.058 0.000 1.985 378 E HA 0.024 4.374 4.350 0.000 0.000 0.268 378 E C -0.542 176.024 176.600 -0.057 0.000 1.219 378 E CA -0.180 56.187 56.400 -0.054 0.000 0.942 378 E CB 0.277 29.942 29.700 -0.058 0.000 1.045 378 E HN -0.038 nan 8.360 nan 0.000 0.413 379 V N 6.854 126.739 119.914 -0.048 0.000 2.508 379 V HA 0.198 4.318 4.120 0.000 0.000 0.281 379 V C -0.121 175.955 176.094 -0.030 0.000 1.041 379 V CA -0.062 62.212 62.300 -0.042 0.000 1.016 379 V CB 0.545 32.347 31.823 -0.035 0.000 0.984 379 V HN 0.569 nan 8.190 nan 0.000 0.478 380 I N 9.366 129.924 120.570 -0.021 0.000 2.405 380 I HA 0.380 4.550 4.170 0.000 0.000 0.280 380 I C -2.300 173.822 176.117 0.008 0.000 1.027 380 I CA -1.990 59.304 61.300 -0.011 0.000 1.161 380 I CB 1.650 39.643 38.000 -0.012 0.000 1.300 380 I HN 0.490 nan 8.210 nan 0.000 0.463 381 P HA 0.077 nan 4.420 nan 0.000 0.269 381 P C 0.807 178.112 177.300 0.008 0.000 1.215 381 P CA 0.430 63.534 63.100 0.007 0.000 0.780 381 P CB 0.623 32.320 31.700 -0.006 0.000 0.898 382 G N 0.180 108.991 108.800 0.018 0.000 2.221 382 G HA2 -0.190 3.770 3.960 0.000 0.000 0.265 382 G HA3 -0.190 3.770 3.960 0.000 0.000 0.265 382 G C -0.544 174.361 174.900 0.009 0.000 1.041 382 G CA -0.113 44.990 45.100 0.004 0.000 0.807 382 G HN 0.531 nan 8.290 nan 0.000 0.502 383 L N -0.659 120.594 121.223 0.050 0.000 2.431 383 L HA 0.773 5.113 4.340 0.000 0.000 0.266 383 L C 0.258 177.154 176.870 0.043 0.000 0.978 383 L CA -0.809 54.046 54.840 0.024 0.000 0.822 383 L CB 1.670 43.752 42.059 0.038 0.000 1.310 383 L HN 0.241 nan 8.230 nan 0.000 0.409 384 K N 1.452 121.769 120.400 -0.138 0.000 2.934 384 K HA 0.561 4.881 4.320 0.000 0.000 0.210 384 K C -0.893 175.495 176.600 -0.354 0.000 1.122 384 K CA -0.244 55.797 56.287 -0.410 0.000 1.033 384 K CB 0.496 32.446 32.500 -0.918 0.000 0.779 384 K HN 0.452 nan 8.250 nan 0.000 0.459 385 S N -0.571 115.142 115.700 0.021 0.000 2.535 385 S HA 0.550 5.021 4.470 0.000 0.000 0.272 385 S C -0.865 173.842 174.600 0.178 0.000 1.149 385 S CA -0.789 57.456 58.200 0.076 0.000 0.888 385 S CB 1.256 64.437 63.200 -0.032 0.000 1.110 385 S HN 0.261 nan 8.310 nan 0.000 0.463 386 c N 3.804 122.507 118.600 0.172 0.000 2.563 386 c HA 0.912 5.482 4.570 0.000 0.000 0.314 386 c C -0.017 174.096 174.090 0.038 0.000 1.199 386 c CA -0.697 55.678 56.329 0.077 0.000 1.564 386 c CB 0.963 43.494 42.510 0.035 0.000 2.173 386 c HN 1.070 nan 8.230 nan 0.000 0.485 387 M N 1.003 120.608 119.600 0.008 0.000 2.704 387 M HA 0.772 5.252 4.480 0.000 0.000 0.284 387 M C 0.503 176.795 176.300 -0.014 0.000 1.275 387 M CA 0.131 55.430 55.300 -0.001 0.000 0.811 387 M CB 1.513 34.112 32.600 -0.002 0.000 1.741 387 M HN 1.040 nan 8.290 nan 0.000 0.458 388 G N 1.058 109.850 108.800 -0.014 0.000 2.160 388 G HA2 -0.138 3.822 3.960 0.000 0.000 0.244 388 G HA3 -0.138 3.822 3.960 0.000 0.000 0.244 388 G C -0.583 174.303 174.900 -0.024 0.000 1.022 388 G CA 0.376 45.465 45.100 -0.018 0.000 0.741 388 G HN 0.671 nan 8.290 nan 0.000 0.508 389 L N -1.267 119.942 121.223 -0.024 0.000 2.400 389 L HA 0.736 5.076 4.340 0.000 0.000 0.264 389 L C 0.731 177.583 176.870 -0.030 0.000 1.061 389 L CA -0.960 53.862 54.840 -0.030 0.000 0.799 389 L CB 1.164 43.204 42.059 -0.031 0.000 1.240 389 L HN -0.018 nan 8.230 nan 0.000 0.461 390 K N 0.602 120.983 120.400 -0.032 0.000 2.328 390 K HA 0.518 4.838 4.320 0.000 0.000 0.246 390 K C -0.873 175.709 176.600 -0.031 0.000 0.955 390 K CA -0.928 55.341 56.287 -0.029 0.000 0.817 390 K CB 2.482 34.970 32.500 -0.020 0.000 1.208 390 K HN 0.405 nan 8.250 nan 0.000 0.432 391 I N 2.143 122.695 120.570 -0.030 0.000 2.845 391 I HA -0.172 3.998 4.170 0.000 0.000 0.290 391 I C 1.213 177.322 176.117 -0.013 0.000 1.202 391 I CA 1.424 62.711 61.300 -0.022 0.000 1.406 391 I CB -0.196 37.804 38.000 -0.000 0.000 1.383 391 I HN 1.113 nan 8.210 nan 0.000 0.549 392 G N 4.208 112.993 108.800 -0.026 0.000 2.352 392 G HA2 -0.196 3.764 3.960 0.000 0.000 0.204 392 G HA3 -0.196 3.764 3.960 0.000 0.000 0.204 392 G C 0.048 174.922 174.900 -0.043 0.000 1.004 392 G CA -0.547 44.536 45.100 -0.029 0.000 0.648 392 G HN 0.539 nan 8.290 nan 0.000 0.491 393 D N 0.869 121.242 120.400 -0.045 0.000 2.390 393 D HA 0.508 5.148 4.640 0.000 0.000 0.236 393 D C 0.487 176.746 176.300 -0.068 0.000 1.189 393 D CA 1.359 55.327 54.000 -0.053 0.000 0.887 393 D CB 1.176 41.946 40.800 -0.051 0.000 1.198 393 D HN 0.230 nan 8.370 nan 0.000 0.444 394 T N -0.520 113.988 114.554 -0.077 0.000 2.886 394 T HA 0.618 4.968 4.350 0.000 0.000 0.292 394 T C -0.921 173.707 174.700 -0.120 0.000 1.012 394 T CA -0.653 61.391 62.100 -0.092 0.000 0.982 394 T CB 0.616 69.435 68.868 -0.082 0.000 1.018 394 T HN 0.209 nan 8.240 nan 0.000 0.451 395 V N 1.529 121.348 119.914 -0.158 0.000 3.160 395 V HA 1.025 5.145 4.120 0.000 0.000 0.310 395 V C -0.585 175.305 176.094 -0.340 0.000 1.181 395 V CA -0.934 61.205 62.300 -0.269 0.000 1.047 395 V CB 1.718 33.331 31.823 -0.351 0.000 1.068 395 V HN 1.118 nan 8.190 nan 0.000 0.441 396 S N 0.439 115.847 115.700 -0.487 0.000 2.549 396 S HA 0.889 5.360 4.470 0.000 0.000 0.280 396 S C -1.383 172.860 174.600 -0.594 0.000 1.109 396 S CA -0.539 57.426 58.200 -0.392 0.000 0.905 396 S CB 1.668 64.758 63.200 -0.183 0.000 1.081 396 S HN 0.766 nan 8.310 nan 0.000 0.477 397 F N 0.984 120.924 119.950 -0.018 0.000 2.529 397 F HA 0.620 5.147 4.527 0.000 0.000 0.320 397 F C 0.563 176.330 175.800 -0.054 0.000 1.118 397 F CA -0.693 57.304 58.000 -0.005 0.000 0.915 397 F CB 2.324 41.354 39.000 0.050 0.000 1.161 397 F HN 0.663 nan 8.300 nan 0.000 0.445 398 S N 4.685 120.438 115.700 0.088 0.000 2.411 398 S HA 0.666 5.136 4.470 0.000 0.000 0.294 398 S C -0.600 173.884 174.600 -0.193 0.000 1.115 398 S CA -0.387 57.772 58.200 -0.067 0.000 1.071 398 S CB -0.347 62.819 63.200 -0.055 0.000 0.967 398 S HN 0.482 nan 8.310 nan 0.000 0.488 399 I N 4.260 124.534 120.570 -0.492 0.000 2.404 399 I HA 0.459 4.629 4.170 0.000 0.000 0.293 399 I C 0.193 175.883 176.117 -0.712 0.000 0.992 399 I CA -0.558 60.265 61.300 -0.796 0.000 1.149 399 I CB 1.656 39.007 38.000 -1.082 0.000 1.315 399 I HN 0.563 nan 8.210 nan 0.000 0.446 400 E N 5.254 125.172 120.200 -0.469 0.000 2.171 400 E HA 0.692 5.042 4.350 0.000 0.000 0.271 400 E C -1.375 175.161 176.600 -0.107 0.000 0.916 400 E CA -0.868 55.417 56.400 -0.191 0.000 0.774 400 E CB 1.981 31.599 29.700 -0.137 0.000 1.128 400 E HN 0.743 nan 8.360 nan 0.000 0.403 401 A N 5.293 128.164 122.820 0.085 0.000 2.293 401 A HA 0.330 4.651 4.320 0.000 0.000 0.312 401 A C -0.541 177.095 177.584 0.087 0.000 1.309 401 A CA -0.696 51.405 52.037 0.106 0.000 0.839 401 A CB 0.631 19.798 19.000 0.279 0.000 1.155 401 A HN 0.570 nan 8.150 nan 0.000 0.501 402 K N 2.339 122.767 120.400 0.047 0.000 2.110 402 K HA 0.646 4.967 4.320 0.000 0.000 0.263 402 K C -1.030 175.617 176.600 0.078 0.000 0.975 402 K CA -0.421 55.902 56.287 0.061 0.000 0.895 402 K CB 1.667 34.193 32.500 0.043 0.000 1.060 402 K HN 0.470 nan 8.250 nan 0.000 0.448 403 V N 3.511 123.484 119.914 0.098 0.000 2.732 403 V HA 0.476 4.596 4.120 0.000 0.000 0.310 403 V C -0.927 175.189 176.094 0.036 0.000 1.053 403 V CA -0.895 61.462 62.300 0.095 0.000 0.957 403 V CB 1.657 33.585 31.823 0.175 0.000 1.018 403 V HN 0.882 nan 8.190 nan 0.000 0.452 404 R N 3.951 124.450 120.500 -0.002 0.000 2.265 404 R HA 0.608 4.948 4.340 0.000 0.000 0.328 404 R C 0.592 176.858 176.300 -0.057 0.000 0.969 404 R CA 0.803 56.894 56.100 -0.015 0.000 0.832 404 R CB 0.687 30.984 30.300 -0.004 0.000 1.139 404 R HN 1.378 nan 8.270 nan 0.000 0.457 405 G N 2.601 111.375 108.800 -0.044 0.000 2.550 405 G HA2 -0.346 3.614 3.960 0.000 0.000 0.277 405 G HA3 -0.346 3.614 3.960 0.000 0.000 0.277 405 G C -0.842 173.994 174.900 -0.107 0.000 1.190 405 G CA 0.120 45.182 45.100 -0.063 0.000 0.971 405 G HN 0.881 nan 8.290 nan 0.000 0.559 406 c N 2.459 120.969 118.600 -0.149 0.000 2.620 406 c HA 0.700 5.271 4.570 0.000 0.000 0.356 406 c C -2.320 171.602 174.090 -0.280 0.000 1.082 406 c CA -0.880 55.318 56.329 -0.219 0.000 1.293 406 c CB 0.380 42.823 42.510 -0.112 0.000 1.836 406 c HN 0.777 nan 8.230 nan 0.000 0.453 407 P HA 0.262 nan 4.420 nan 0.000 0.271 407 P C 0.600 177.778 177.300 -0.202 0.000 1.218 407 P CA 0.003 62.872 63.100 -0.386 0.000 0.780 407 P CB 0.708 32.039 31.700 -0.615 0.000 0.901 408 Q N 0.651 120.388 119.800 -0.104 0.000 2.020 408 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 408 Q C 0.571 176.573 176.000 0.005 0.000 0.982 408 Q CA 1.075 56.853 55.803 -0.041 0.000 0.838 408 Q CB -0.067 28.654 28.738 -0.028 0.000 0.899 408 Q HN 0.594 nan 8.270 nan 0.000 0.423 409 E N 1.269 121.481 120.200 0.020 0.000 2.493 409 E HA -0.106 4.244 4.350 0.000 0.000 0.255 409 E C 0.184 176.884 176.600 0.167 0.000 0.999 409 E CA 0.052 56.497 56.400 0.075 0.000 0.934 409 E CB 0.516 30.265 29.700 0.081 0.000 0.940 409 E HN 0.108 nan 8.360 nan 0.000 0.473 410 K N 3.191 123.679 120.400 0.147 0.000 2.155 410 K HA -0.014 4.306 4.320 0.000 0.000 0.203 410 K C -0.005 176.705 176.600 0.184 0.000 1.052 410 K CA 0.883 57.283 56.287 0.187 0.000 0.948 410 K CB 0.217 32.771 32.500 0.091 0.000 0.728 410 K HN 0.522 nan 8.250 nan 0.000 0.448 411 E N 0.815 121.086 120.200 0.119 0.000 2.234 411 E HA 0.323 4.673 4.350 0.000 0.000 0.266 411 E C -1.065 175.577 176.600 0.070 0.000 0.877 411 E CA -0.496 55.920 56.400 0.027 0.000 0.758 411 E CB 2.302 31.996 29.700 -0.009 0.000 1.170 411 E HN -0.039 nan 8.360 nan 0.000 0.415 412 K N 0.768 121.185 120.400 0.029 0.000 2.480 412 K HA 0.606 4.926 4.320 0.000 0.000 0.258 412 K C -1.011 175.617 176.600 0.047 0.000 0.990 412 K CA -0.827 55.519 56.287 0.098 0.000 0.857 412 K CB 2.268 34.912 32.500 0.239 0.000 1.384 412 K HN 0.600 nan 8.250 nan 0.000 0.446 413 S N 0.462 116.221 115.700 0.098 0.000 2.550 413 S HA 0.800 5.270 4.470 0.000 0.000 0.270 413 S C -1.075 173.631 174.600 0.177 0.000 1.145 413 S CA -0.938 57.288 58.200 0.043 0.000 0.852 413 S CB 0.912 64.085 63.200 -0.044 0.000 1.119 413 S HN 0.598 nan 8.310 nan 0.000 0.465 414 F N -1.367 118.587 119.950 0.007 0.000 2.754 414 F HA 0.913 5.440 4.527 0.000 0.000 0.320 414 F C -1.155 174.664 175.800 0.031 0.000 1.156 414 F CA -0.928 57.089 58.000 0.029 0.000 0.950 414 F CB 1.242 40.273 39.000 0.052 0.000 1.388 414 F HN 0.532 nan 8.300 nan 0.000 0.485 415 T N 3.281 117.972 114.554 0.228 0.000 2.949 415 T HA 0.503 4.853 4.350 0.000 0.000 0.300 415 T C -0.876 173.956 174.700 0.220 0.000 0.988 415 T CA -0.363 61.797 62.100 0.100 0.000 0.993 415 T CB 1.083 69.989 68.868 0.063 0.000 0.984 415 T HN 0.475 nan 8.240 nan 0.000 0.442 416 I N 3.591 124.287 120.570 0.209 0.000 2.371 416 I HA 0.474 4.644 4.170 0.000 0.000 0.290 416 I C 0.337 176.518 176.117 0.108 0.000 1.028 416 I CA -0.343 61.087 61.300 0.217 0.000 1.345 416 I CB 0.876 39.054 38.000 0.297 0.000 1.407 416 I HN 0.588 nan 8.210 nan 0.000 0.501 417 K N 8.624 129.060 120.400 0.060 0.000 2.498 417 K HA 0.558 4.879 4.320 0.000 0.000 0.254 417 K C -2.965 173.634 176.600 -0.002 0.000 0.933 417 K CA -1.465 54.843 56.287 0.035 0.000 0.806 417 K CB 3.218 35.742 32.500 0.040 0.000 1.301 417 K HN 0.182 nan 8.250 nan 0.000 0.432 418 P HA 0.077 nan 4.420 nan 0.000 0.279 418 P C -0.322 177.013 177.300 0.058 0.000 1.239 418 P CA -0.470 62.648 63.100 0.029 0.000 0.789 418 P CB 1.072 32.821 31.700 0.081 0.000 0.933 419 V N 2.829 122.752 119.914 0.014 0.000 2.529 419 V HA 0.266 4.386 4.120 0.000 0.000 0.292 419 V C 1.796 177.879 176.094 -0.017 0.000 1.028 419 V CA 1.663 63.954 62.300 -0.015 0.000 1.074 419 V CB -0.541 31.253 31.823 -0.048 0.000 0.958 419 V HN 1.062 nan 8.190 nan 0.000 0.481 420 G N 4.036 112.792 108.800 -0.073 0.000 2.159 420 G HA2 -0.257 3.703 3.960 0.000 0.000 0.256 420 G HA3 -0.257 3.703 3.960 0.000 0.000 0.256 420 G C -0.302 174.399 174.900 -0.332 0.000 0.977 420 G CA -0.048 44.932 45.100 -0.199 0.000 0.652 420 G HN 0.504 nan 8.290 nan 0.000 0.531 421 F N -0.454 119.472 119.950 -0.041 0.000 2.551 421 F HA 0.604 5.131 4.527 0.000 0.000 0.316 421 F C 1.164 176.961 175.800 -0.005 0.000 1.089 421 F CA -0.692 57.285 58.000 -0.039 0.000 0.915 421 F CB 1.822 40.775 39.000 -0.078 0.000 1.186 421 F HN -0.080 nan 8.300 nan 0.000 0.456 422 K N 0.642 121.206 120.400 0.274 0.000 2.097 422 K HA -0.075 4.245 4.320 0.000 0.000 0.205 422 K C -0.366 176.311 176.600 0.128 0.000 1.050 422 K CA 1.081 57.474 56.287 0.178 0.000 0.938 422 K CB -0.079 32.540 32.500 0.198 0.000 0.718 422 K HN 0.644 nan 8.250 nan 0.000 0.442 423 D N 0.921 121.391 120.400 0.117 0.000 2.423 423 D HA 0.042 4.683 4.640 0.000 0.000 0.238 423 D C -0.140 176.182 176.300 0.036 0.000 1.142 423 D CA 0.467 54.491 54.000 0.040 0.000 0.884 423 D CB 1.164 41.939 40.800 -0.042 0.000 1.199 423 D HN 0.330 nan 8.370 nan 0.000 0.438 424 S N 0.439 116.152 115.700 0.021 0.000 2.636 424 S HA 0.548 5.018 4.470 0.000 0.000 0.268 424 S C -1.814 172.795 174.600 0.016 0.000 1.159 424 S CA -1.145 57.070 58.200 0.026 0.000 0.815 424 S CB 0.954 64.174 63.200 0.033 0.000 1.130 424 S HN 0.328 nan 8.310 nan 0.000 0.471 425 L N 1.541 122.780 121.223 0.026 0.000 2.316 425 L HA 0.653 4.993 4.340 0.000 0.000 0.280 425 L C -1.244 175.600 176.870 -0.044 0.000 1.006 425 L CA -0.872 53.975 54.840 0.012 0.000 0.836 425 L CB 0.386 42.490 42.059 0.074 0.000 1.221 425 L HN 0.776 nan 8.230 nan 0.000 0.418 426 I N 5.685 126.198 120.570 -0.095 0.000 2.371 426 I HA 0.312 4.482 4.170 0.000 0.000 0.290 426 I C -0.441 175.496 176.117 -0.301 0.000 1.028 426 I CA -0.672 60.522 61.300 -0.176 0.000 1.345 426 I CB 1.437 39.362 38.000 -0.126 0.000 1.407 426 I HN 0.271 nan 8.210 nan 0.000 0.501 427 V N 6.762 126.345 119.914 -0.551 0.000 2.334 427 V HA 0.224 4.344 4.120 0.000 0.000 0.281 427 V C -0.093 175.650 176.094 -0.584 0.000 1.016 427 V CA -0.666 61.213 62.300 -0.701 0.000 0.832 427 V CB 1.172 32.301 31.823 -1.156 0.000 0.999 427 V HN 0.694 nan 8.190 nan 0.000 0.439 428 Q N 3.536 123.118 119.800 -0.363 0.000 2.322 428 Q HA 0.508 4.848 4.340 0.000 0.000 0.256 428 Q C -0.730 175.118 176.000 -0.253 0.000 0.960 428 Q CA -0.348 55.304 55.803 -0.253 0.000 0.934 428 Q CB 2.095 30.720 28.738 -0.187 0.000 1.200 428 Q HN 0.582 nan 8.270 nan 0.000 0.435 429 V N 2.643 122.420 119.914 -0.229 0.000 2.532 429 V HA 0.438 4.559 4.120 0.000 0.000 0.295 429 V C 0.075 175.876 176.094 -0.489 0.000 1.041 429 V CA -0.356 61.746 62.300 -0.329 0.000 0.926 429 V CB 1.932 33.589 31.823 -0.275 0.000 0.992 429 V HN 0.743 nan 8.190 nan 0.000 0.457 430 T N 4.651 118.877 114.554 -0.547 0.000 2.886 430 T HA 0.621 4.971 4.350 0.000 0.000 0.292 430 T C -1.012 173.364 174.700 -0.540 0.000 1.012 430 T CA -0.169 61.636 62.100 -0.492 0.000 0.982 430 T CB 0.928 69.658 68.868 -0.229 0.000 1.018 430 T HN 0.278 nan 8.240 nan 0.000 0.451 431 F N 2.203 122.145 119.950 -0.012 0.000 2.361 431 F HA 0.395 4.922 4.527 0.000 0.000 0.364 431 F C 0.513 176.298 175.800 -0.024 0.000 1.117 431 F CA -1.398 56.593 58.000 -0.015 0.000 1.071 431 F CB 0.910 39.905 39.000 -0.008 0.000 1.188 431 F HN 0.402 nan 8.300 nan 0.000 0.464 432 D N 2.682 123.151 120.400 0.115 0.000 2.485 432 D HA 0.327 4.967 4.640 0.000 0.000 0.221 432 D C -0.018 176.304 176.300 0.038 0.000 1.112 432 D CA -0.142 53.885 54.000 0.046 0.000 0.911 432 D CB 0.430 41.228 40.800 -0.003 0.000 1.019 432 D HN 0.571 nan 8.370 nan 0.000 0.516 433 c N 1.980 120.601 118.600 0.034 0.000 3.097 433 c HA 0.259 4.829 4.570 0.000 0.000 0.335 433 c C 0.201 174.275 174.090 -0.028 0.000 1.283 433 c CA -0.444 55.886 56.329 0.002 0.000 1.778 433 c CB -0.345 42.164 42.510 -0.000 0.000 2.365 433 c HN 0.483 nan 8.230 nan 0.000 0.627 434 D N 0.830 121.216 120.400 -0.024 0.000 2.264 434 D HA 0.315 4.955 4.640 0.000 0.000 0.249 434 D C -0.143 176.128 176.300 -0.048 0.000 1.070 434 D CA -0.016 53.957 54.000 -0.044 0.000 0.912 434 D CB 0.763 41.544 40.800 -0.032 0.000 1.193 434 D HN 0.256 nan 8.370 nan 0.000 0.427 435 c N 0.947 119.502 118.600 -0.075 0.000 2.534 435 c HA 0.469 5.039 4.570 0.000 0.000 0.385 435 c C 2.000 176.068 174.090 -0.035 0.000 1.264 435 c CA -0.505 55.786 56.329 -0.063 0.000 2.342 435 c CB 0.665 43.100 42.510 -0.124 0.000 2.564 435 c HN 0.788 nan 8.230 nan 0.000 0.603 436 A N 0.710 123.526 122.820 -0.007 0.000 1.968 436 A HA -0.118 4.202 4.320 0.000 0.000 0.217 436 A C 1.888 179.475 177.584 0.004 0.000 1.169 436 A CA 1.905 53.944 52.037 0.003 0.000 0.638 436 A CB -0.766 18.245 19.000 0.019 0.000 0.812 436 A HN 1.097 nan 8.150 nan 0.000 0.446 437 c N -1.368 117.235 118.600 0.005 0.000 2.522 437 c HA 0.136 4.706 4.570 0.000 0.000 0.271 437 c C 2.214 176.291 174.090 -0.022 0.000 1.425 437 c CA 0.298 56.631 56.329 0.007 0.000 1.751 437 c CB -1.679 40.851 42.510 0.034 0.000 1.775 437 c HN 0.623 nan 8.230 nan 0.000 0.557 438 Q N 1.813 121.586 119.800 -0.044 0.000 2.119 438 Q HA -0.040 4.300 4.340 0.000 0.000 0.201 438 Q C 2.664 178.649 176.000 -0.025 0.000 0.972 438 Q CA 1.710 57.482 55.803 -0.052 0.000 0.847 438 Q CB -0.289 28.410 28.738 -0.067 0.000 0.903 438 Q HN 0.815 nan 8.270 nan 0.000 0.433 439 A N 0.923 123.735 122.820 -0.014 0.000 1.940 439 A HA -0.206 4.114 4.320 0.000 0.000 0.219 439 A C 1.422 179.011 177.584 0.008 0.000 1.176 439 A CA 1.321 53.356 52.037 -0.002 0.000 0.631 439 A CB -0.199 18.802 19.000 0.002 0.000 0.814 439 A HN 0.239 nan 8.150 nan 0.000 0.446 440 Q N 0.044 119.853 119.800 0.014 0.000 2.297 440 Q HA 0.587 4.927 4.340 0.000 0.000 0.265 440 Q C 0.251 176.273 176.000 0.037 0.000 0.904 440 Q CA 0.383 56.204 55.803 0.030 0.000 0.969 440 Q CB 0.019 28.781 28.738 0.040 0.000 1.115 440 Q HN 0.599 nan 8.270 nan 0.000 0.433 441 A N 0.995 123.828 122.820 0.021 0.000 2.327 441 A HA 0.407 4.728 4.320 0.000 0.000 0.255 441 A C -0.147 177.469 177.584 0.053 0.000 1.099 441 A CA -0.249 51.802 52.037 0.023 0.000 0.801 441 A CB 0.481 19.479 19.000 -0.002 0.000 1.062 441 A HN 0.351 nan 8.150 nan 0.000 0.496 442 E N 0.423 120.667 120.200 0.074 0.000 2.642 442 E HA 0.322 4.672 4.350 0.000 0.000 0.284 442 E C -2.863 173.774 176.600 0.062 0.000 1.039 442 E CA -1.748 54.699 56.400 0.078 0.000 0.777 442 E CB 1.567 31.335 29.700 0.113 0.000 1.473 442 E HN 0.512 nan 8.360 nan 0.000 0.388 443 P HA 0.166 nan 4.420 nan 0.000 0.276 443 P C -0.615 176.692 177.300 0.010 0.000 1.252 443 P CA -0.177 62.936 63.100 0.022 0.000 0.802 443 P CB 0.579 32.288 31.700 0.014 0.000 1.035 444 N N -2.194 116.504 118.700 -0.002 0.000 2.716 444 N HA -0.160 4.580 4.740 0.000 0.000 0.250 444 N C 0.003 175.499 175.510 -0.024 0.000 1.033 444 N CA 0.842 53.881 53.050 -0.018 0.000 0.727 444 N CB -1.911 36.570 38.487 -0.011 0.000 0.950 444 N HN 0.430 nan 8.380 nan 0.000 0.541 445 S N -0.644 115.031 115.700 -0.042 0.000 2.580 445 S HA 0.146 4.616 4.470 0.000 0.000 0.274 445 S C 1.683 176.195 174.600 -0.147 0.000 1.329 445 S CA -0.076 58.052 58.200 -0.120 0.000 1.036 445 S CB 0.634 63.739 63.200 -0.158 0.000 0.919 445 S HN 0.525 nan 8.310 nan 0.000 0.515 446 H N 3.320 122.342 119.070 -0.080 0.000 2.491 446 H HA 0.117 4.673 4.556 0.000 0.000 0.290 446 H C 1.789 177.048 175.328 -0.115 0.000 1.050 446 H CA 1.252 57.245 56.048 -0.092 0.000 1.309 446 H CB -0.128 29.582 29.762 -0.086 0.000 1.392 446 H HN 0.565 nan 8.280 nan 0.000 0.554 447 R N 0.012 120.199 120.500 -0.521 0.000 2.148 447 R HA 0.082 4.422 4.340 0.000 0.000 0.223 447 R C 0.171 176.373 176.300 -0.164 0.000 1.088 447 R CA 0.960 56.832 56.100 -0.379 0.000 0.985 447 R CB 0.098 29.939 30.300 -0.766 0.000 0.880 447 R HN 0.312 nan 8.270 nan 0.000 0.451 448 c N 2.323 120.852 118.600 -0.119 0.000 2.494 448 c HA 0.262 4.832 4.570 0.000 0.000 0.424 448 c C -0.076 173.956 174.090 -0.096 0.000 1.188 448 c CA -1.186 55.114 56.329 -0.048 0.000 1.620 448 c CB -1.666 40.845 42.510 0.002 0.000 1.706 448 c HN 0.540 nan 8.230 nan 0.000 0.543 449 N N 2.861 121.507 118.700 -0.090 0.000 2.681 449 N HA -0.205 4.535 4.740 0.000 0.000 0.259 449 N C -0.275 175.137 175.510 -0.162 0.000 1.066 449 N CA 0.756 53.730 53.050 -0.128 0.000 0.717 449 N CB -1.384 36.989 38.487 -0.190 0.000 0.885 449 N HN 0.692 nan 8.380 nan 0.000 0.547 450 N N 0.013 118.656 118.700 -0.095 0.000 2.705 450 N HA -0.140 4.601 4.740 0.000 0.000 0.255 450 N C 0.757 176.198 175.510 -0.115 0.000 1.008 450 N CA 2.286 55.288 53.050 -0.080 0.000 0.742 450 N CB -1.563 36.877 38.487 -0.079 0.000 0.906 450 N HN 1.303 nan 8.380 nan 0.000 0.541 451 G N -0.452 108.283 108.800 -0.108 0.000 2.289 451 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 451 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 451 G C 0.356 175.156 174.900 -0.166 0.000 1.089 451 G CA 0.117 45.154 45.100 -0.105 0.000 0.939 451 G HN 0.551 nan 8.290 nan 0.000 0.499 452 N N 0.336 118.901 118.700 -0.225 0.000 2.234 452 N HA 0.384 5.124 4.740 0.000 0.000 0.227 452 N C 0.826 176.264 175.510 -0.120 0.000 1.151 452 N CA 0.921 53.787 53.050 -0.307 0.000 0.865 452 N CB 1.114 39.198 38.487 -0.673 0.000 1.066 452 N HN 1.057 nan 8.380 nan 0.000 0.515 453 G N -0.735 108.031 108.800 -0.058 0.000 2.556 453 G HA2 0.191 4.151 3.960 0.000 0.000 0.294 453 G HA3 0.191 4.151 3.960 0.000 0.000 0.294 453 G C -1.175 173.740 174.900 0.025 0.000 1.516 453 G CA -0.435 44.669 45.100 0.006 0.000 0.824 453 G HN -0.117 nan 8.290 nan 0.000 0.535 454 T N 0.923 115.499 114.554 0.037 0.000 2.856 454 T HA 0.412 4.762 4.350 0.000 0.000 0.292 454 T C -0.783 173.972 174.700 0.092 0.000 0.980 454 T CA 0.159 62.289 62.100 0.049 0.000 1.091 454 T CB 1.023 69.902 68.868 0.019 0.000 0.936 454 T HN 0.390 nan 8.240 nan 0.000 0.503 455 F N 4.761 124.686 119.950 -0.042 0.000 2.303 455 F HA 0.343 4.870 4.527 0.000 0.000 0.368 455 F C 0.328 176.121 175.800 -0.012 0.000 1.105 455 F CA -0.921 57.059 58.000 -0.033 0.000 1.153 455 F CB 0.250 39.206 39.000 -0.074 0.000 1.362 455 F HN 0.597 nan 8.300 nan 0.000 0.511 456 E N 3.353 123.355 120.200 -0.330 0.000 2.248 456 E HA 0.443 4.793 4.350 0.000 0.000 0.267 456 E C -0.260 176.143 176.600 -0.329 0.000 0.877 456 E CA -1.062 55.182 56.400 -0.259 0.000 0.759 456 E CB 1.231 30.851 29.700 -0.135 0.000 1.182 456 E HN 0.615 nan 8.360 nan 0.000 0.418 457 c N 3.088 121.565 118.600 -0.204 0.000 4.350 457 c HA -0.065 4.505 4.570 0.000 0.000 0.302 457 c C 1.377 175.462 174.090 -0.009 0.000 1.390 457 c CA 0.723 57.051 56.329 -0.001 0.000 2.016 457 c CB -2.445 40.133 42.510 0.114 0.000 1.271 457 c HN 1.485 nan 8.230 nan 0.000 0.760 458 G N -1.733 106.831 108.800 -0.394 0.000 2.176 458 G HA2 -0.011 3.949 3.960 0.000 0.000 0.252 458 G HA3 -0.011 3.949 3.960 0.000 0.000 0.252 458 G C -0.229 174.517 174.900 -0.256 0.000 1.024 458 G CA 0.362 45.282 45.100 -0.301 0.000 0.755 458 G HN 1.594 nan 8.290 nan 0.000 0.507 459 V N -0.714 118.907 119.914 -0.487 0.000 2.969 459 V HA 0.431 4.551 4.120 0.000 0.000 0.304 459 V C 0.285 176.299 176.094 -0.133 0.000 1.192 459 V CA -0.819 61.409 62.300 -0.121 0.000 0.962 459 V CB 2.154 34.044 31.823 0.112 0.000 1.045 459 V HN 0.394 nan 8.190 nan 0.000 0.428 460 c N 5.125 123.774 118.600 0.082 0.000 2.482 460 c HA 0.417 4.988 4.570 0.000 0.000 0.378 460 c C 0.673 174.801 174.090 0.063 0.000 1.284 460 c CA -0.778 55.625 56.329 0.123 0.000 1.826 460 c CB -0.425 42.179 42.510 0.157 0.000 2.473 460 c HN 0.648 nan 8.230 nan 0.000 0.562 461 R N 3.106 123.628 120.500 0.038 0.000 2.287 461 R HA 0.222 4.562 4.340 0.000 0.000 0.327 461 R C -0.436 175.893 176.300 0.048 0.000 1.109 461 R CA -0.101 56.015 56.100 0.027 0.000 1.013 461 R CB 0.346 30.643 30.300 -0.006 0.000 1.126 461 R HN 0.744 nan 8.270 nan 0.000 0.503 462 c N 1.745 120.388 118.600 0.071 0.000 2.644 462 c HA 0.317 4.888 4.570 0.000 0.000 0.417 462 c C 1.724 175.883 174.090 0.115 0.000 1.304 462 c CA -0.470 55.920 56.329 0.101 0.000 2.035 462 c CB 0.407 43.007 42.510 0.149 0.000 2.673 462 c HN 0.817 nan 8.230 nan 0.000 0.602 463 G N 2.832 111.713 108.800 0.135 0.000 2.621 463 G HA2 0.445 4.405 3.960 0.000 0.000 0.271 463 G HA3 0.445 4.405 3.960 0.000 0.000 0.271 463 G C -2.640 172.400 174.900 0.233 0.000 1.236 463 G CA -0.632 44.561 45.100 0.155 0.000 0.958 463 G HN 0.579 nan 8.290 nan 0.000 0.512 464 P HA 0.196 nan 4.420 nan 0.000 0.261 464 P C 0.918 178.308 177.300 0.151 0.000 1.183 464 P CA 1.533 64.718 63.100 0.141 0.000 0.761 464 P CB 0.832 32.593 31.700 0.102 0.000 0.785 465 G N 1.580 110.383 108.800 0.004 0.000 2.397 465 G HA2 -0.169 3.792 3.960 0.000 0.000 0.211 465 G HA3 -0.169 3.792 3.960 0.000 0.000 0.211 465 G C -0.372 174.344 174.900 -0.307 0.000 1.077 465 G CA -0.630 44.306 45.100 -0.273 0.000 0.649 465 G HN 0.413 nan 8.290 nan 0.000 0.511 466 W N 0.984 122.295 121.300 0.019 0.000 2.449 466 W HA 0.785 5.445 4.660 0.000 0.000 0.331 466 W C 0.267 176.799 176.519 0.021 0.000 1.119 466 W CA -0.374 56.983 57.345 0.020 0.000 1.240 466 W CB 1.109 30.582 29.460 0.021 0.000 1.251 466 W HN 0.143 nan 8.180 nan 0.000 0.576 467 L N 1.047 122.408 121.223 0.230 0.000 2.322 467 L HA 0.925 5.266 4.340 0.000 0.000 0.252 467 L C 0.463 177.415 176.870 0.136 0.000 1.055 467 L CA -0.842 54.084 54.840 0.142 0.000 0.849 467 L CB 1.975 44.082 42.059 0.080 0.000 1.446 467 L HN 0.637 nan 8.230 nan 0.000 0.416 468 G N -0.087 108.771 108.800 0.097 0.000 2.462 468 G HA2 -0.121 3.839 3.960 0.000 0.000 0.685 468 G HA3 -0.121 3.839 3.960 0.000 0.000 0.685 468 G C 0.258 175.206 174.900 0.080 0.000 1.295 468 G CA -0.063 45.087 45.100 0.084 0.000 0.941 468 G HN 0.843 nan 8.290 nan 0.000 0.554 469 S N -1.343 114.400 115.700 0.071 0.000 2.428 469 S HA 0.018 4.488 4.470 0.000 0.000 0.230 469 S C 1.440 176.094 174.600 0.090 0.000 1.014 469 S CA 1.888 60.133 58.200 0.075 0.000 0.957 469 S CB 0.047 63.285 63.200 0.062 0.000 0.784 469 S HN 0.728 nan 8.310 nan 0.000 0.499 470 Q N -0.584 119.263 119.800 0.078 0.000 2.112 470 Q HA 0.360 4.700 4.340 0.000 0.000 0.222 470 Q C -0.645 175.385 176.000 0.050 0.000 0.798 470 Q CA -0.171 55.672 55.803 0.066 0.000 1.060 470 Q CB 0.721 29.483 28.738 0.041 0.000 1.184 470 Q HN 0.593 nan 8.270 nan 0.000 0.475 471 c N 1.500 120.149 118.600 0.081 0.000 4.484 471 c HA -0.127 4.443 4.570 0.000 0.000 0.308 471 c C 1.244 175.409 174.090 0.126 0.000 1.291 471 c CA 0.417 56.814 56.329 0.112 0.000 2.078 471 c CB -2.315 40.221 42.510 0.042 0.000 1.257 471 c HN 0.610 nan 8.230 nan 0.000 0.736 472 E N 0.614 120.901 120.200 0.146 0.000 2.012 472 E HA -0.007 4.343 4.350 0.000 0.000 0.192 472 E C 1.513 178.275 176.600 0.270 0.000 0.977 472 E CA 1.384 57.874 56.400 0.151 0.000 0.832 472 E CB -0.049 29.711 29.700 0.100 0.000 0.790 472 E HN 0.905 nan 8.360 nan 0.000 0.466 473 c N -0.231 118.496 118.600 0.211 0.000 2.604 473 c HA 0.524 5.094 4.570 0.000 0.000 0.396 473 c C 1.779 175.952 174.090 0.139 0.000 1.282 473 c CA -0.434 55.995 56.329 0.167 0.000 2.292 473 c CB 1.154 43.713 42.510 0.082 0.000 2.633 473 c HN 0.322 nan 8.230 nan 0.000 0.620 474 S N -0.037 115.634 115.700 -0.048 0.000 2.517 474 S HA 0.098 4.568 4.470 0.000 0.000 0.228 474 S C 1.369 175.822 174.600 -0.244 0.000 1.060 474 S CA 1.314 59.269 58.200 -0.409 0.000 0.937 474 S CB -0.057 62.777 63.200 -0.610 0.000 0.840 474 S HN 0.959 nan 8.310 nan 0.000 0.546 475 E N -0.073 120.045 120.200 -0.137 0.000 3.935 475 E HA 0.296 4.646 4.350 0.000 0.000 0.244 475 E C -0.605 175.971 176.600 -0.041 0.000 1.295 475 E CA 0.612 56.958 56.400 -0.089 0.000 1.728 475 E CB -0.290 29.347 29.700 -0.104 0.000 1.750 475 E HN 0.407 nan 8.360 nan 0.000 0.721 484 D N 0.726 121.144 120.400 0.031 0.000 2.752 484 D HA 0.209 4.850 4.640 0.000 0.000 0.313 484 D C -0.894 175.434 176.300 0.047 0.000 1.225 484 D CA -0.536 53.485 54.000 0.036 0.000 0.976 484 D CB 1.423 42.245 40.800 0.035 0.000 1.443 484 D HN 0.343 nan 8.370 nan 0.000 0.515 485 E N 0.381 120.616 120.200 0.059 0.000 2.104 485 E HA 0.178 4.528 4.350 0.000 0.000 0.278 485 E C -0.237 176.449 176.600 0.144 0.000 1.127 485 E CA 0.035 56.485 56.400 0.083 0.000 0.897 485 E CB 0.310 30.059 29.700 0.082 0.000 1.043 485 E HN 0.202 nan 8.360 nan 0.000 0.410 486 c N 3.571 122.255 118.600 0.139 0.000 2.336 486 c HA 0.207 4.778 4.570 0.000 0.000 0.332 486 c C 0.037 174.286 174.090 0.265 0.000 1.375 486 c CA -0.226 56.234 56.329 0.219 0.000 1.785 486 c CB -1.934 40.651 42.510 0.124 0.000 2.407 486 c HN 0.653 nan 8.230 nan 0.000 0.562 487 S N -1.571 114.207 115.700 0.129 0.000 2.567 487 S HA 0.448 4.918 4.470 0.000 0.000 0.270 487 S C -2.750 171.587 174.600 -0.439 0.000 1.152 487 S CA -0.726 57.273 58.200 -0.335 0.000 0.835 487 S CB 1.292 64.388 63.200 -0.173 0.000 1.115 487 S HN -0.091 nan 8.310 nan 0.000 0.459 488 P HA 0.112 nan 4.420 nan 0.000 0.215 488 P C 0.189 177.399 177.300 -0.151 0.000 1.157 488 P CA 1.032 63.927 63.100 -0.341 0.000 0.859 488 P CB 0.109 31.615 31.700 -0.325 0.000 0.786 489 R N -1.136 119.278 120.500 -0.143 0.000 2.923 489 R HA 0.312 4.652 4.340 0.000 0.000 0.252 489 R C 1.268 177.529 176.300 -0.064 0.000 1.130 489 R CA -0.641 55.411 56.100 -0.079 0.000 1.043 489 R CB 0.833 31.093 30.300 -0.068 0.000 1.205 489 R HN -0.050 nan 8.270 nan 0.000 0.495 490 E N 0.277 120.453 120.200 -0.039 0.000 2.112 490 E HA -0.066 4.284 4.350 0.000 0.000 0.190 490 E C 1.761 178.344 176.600 -0.028 0.000 0.979 490 E CA 1.103 57.487 56.400 -0.027 0.000 0.814 490 E CB -0.007 29.683 29.700 -0.016 0.000 0.762 490 E HN 0.834 nan 8.360 nan 0.000 0.460 491 G N 1.021 109.803 108.800 -0.030 0.000 2.448 491 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 491 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 491 G C 0.750 175.630 174.900 -0.034 0.000 1.135 491 G CA 0.042 45.126 45.100 -0.027 0.000 0.784 491 G HN 0.130 nan 8.290 nan 0.000 0.543 492 Q N 0.979 120.749 119.800 -0.050 0.000 2.354 492 Q HA 0.256 4.597 4.340 0.000 0.000 0.244 492 Q C -1.962 174.005 176.000 -0.056 0.000 0.969 492 Q CA -1.680 54.087 55.803 -0.062 0.000 0.885 492 Q CB 0.981 29.661 28.738 -0.096 0.000 1.241 492 Q HN 0.193 nan 8.270 nan 0.000 0.461 493 P HA 0.057 nan 4.420 nan 0.000 0.277 493 P C -0.800 176.484 177.300 -0.026 0.000 1.276 493 P CA -0.301 62.784 63.100 -0.026 0.000 0.788 493 P CB 0.517 32.209 31.700 -0.014 0.000 1.114 494 V N 0.021 119.934 119.914 -0.000 0.000 2.432 494 V HA 0.068 4.189 4.120 0.000 0.000 0.275 494 V C 0.803 176.914 176.094 0.029 0.000 1.043 494 V CA -0.312 61.999 62.300 0.018 0.000 0.925 494 V CB -0.177 31.662 31.823 0.028 0.000 0.985 494 V HN 0.833 nan 8.190 nan 0.000 0.466 495 c N 3.491 122.128 118.600 0.062 0.000 4.165 495 c HA -0.215 4.355 4.570 0.000 0.000 0.299 495 c C 1.538 175.646 174.090 0.029 0.000 1.445 495 c CA 0.510 56.881 56.329 0.071 0.000 2.029 495 c CB -3.170 39.347 42.510 0.011 0.000 1.288 495 c HN 1.282 nan 8.230 nan 0.000 0.752 496 S N -1.203 114.511 115.700 0.023 0.000 3.477 496 S HA -0.313 4.157 4.470 0.000 0.000 0.357 496 S C 0.670 175.277 174.600 0.012 0.000 1.083 496 S CA 1.352 59.557 58.200 0.008 0.000 1.042 496 S CB -0.966 62.242 63.200 0.014 0.000 0.911 496 S HN 1.041 nan 8.310 nan 0.000 0.490 497 Q N -2.033 117.780 119.800 0.021 0.000 2.435 497 Q HA -0.279 4.061 4.340 0.000 0.000 0.286 497 Q C 0.812 176.854 176.000 0.070 0.000 1.229 497 Q CA 1.240 57.077 55.803 0.057 0.000 0.884 497 Q CB -1.008 27.768 28.738 0.064 0.000 1.245 497 Q HN 0.735 nan 8.270 nan 0.000 0.488 498 R N -1.120 119.343 120.500 -0.063 0.000 2.531 498 R HA 0.306 4.646 4.340 0.000 0.000 0.316 498 R C 0.660 176.502 176.300 -0.763 0.000 0.955 498 R CA 0.507 56.495 56.100 -0.186 0.000 1.120 498 R CB 1.401 31.666 30.300 -0.058 0.000 1.361 498 R HN 0.266 nan 8.270 nan 0.000 0.534 499 G N -0.115 108.253 108.800 -0.719 0.000 2.782 499 G HA2 0.373 4.333 3.960 0.000 0.000 0.304 499 G HA3 0.373 4.333 3.960 0.000 0.000 0.304 499 G C -1.538 173.236 174.900 -0.209 0.000 1.315 499 G CA -0.417 44.312 45.100 -0.618 0.000 0.791 499 G HN -0.101 nan 8.290 nan 0.000 0.519 500 E N -0.723 119.447 120.200 -0.051 0.000 2.246 500 E HA 0.288 4.638 4.350 0.000 0.000 0.266 500 E C -1.069 175.544 176.600 0.021 0.000 0.880 500 E CA -0.569 55.855 56.400 0.040 0.000 0.762 500 E CB 1.842 31.593 29.700 0.085 0.000 1.180 500 E HN 0.488 nan 8.360 nan 0.000 0.416 501 c N 5.924 124.542 118.600 0.029 0.000 2.645 501 c HA 0.294 4.864 4.570 0.000 0.000 0.451 501 c C -0.007 174.097 174.090 0.024 0.000 1.018 501 c CA -0.295 56.051 56.329 0.029 0.000 1.180 501 c CB -2.091 40.442 42.510 0.038 0.000 1.563 501 c HN 0.415 nan 8.230 nan 0.000 0.551 502 L N 4.876 126.110 121.223 0.019 0.000 2.282 502 L HA 0.360 4.700 4.340 0.000 0.000 0.288 502 L C 1.000 177.880 176.870 0.016 0.000 1.033 502 L CA -0.546 54.302 54.840 0.013 0.000 0.807 502 L CB 0.917 42.980 42.059 0.005 0.000 1.209 502 L HN 0.627 nan 8.230 nan 0.000 0.423 503 c N 3.196 121.807 118.600 0.018 0.000 4.365 503 c HA -0.138 4.432 4.570 0.000 0.000 0.299 503 c C 1.396 175.503 174.090 0.028 0.000 1.409 503 c CA 0.405 56.750 56.329 0.027 0.000 2.007 503 c CB -2.587 39.944 42.510 0.035 0.000 1.264 503 c HN 1.358 nan 8.230 nan 0.000 0.777 504 G N 0.431 109.247 108.800 0.027 0.000 2.350 504 G HA2 -0.161 3.799 3.960 0.000 0.000 0.298 504 G HA3 -0.161 3.799 3.960 0.000 0.000 0.298 504 G C -0.378 174.536 174.900 0.024 0.000 1.037 504 G CA 1.122 46.239 45.100 0.029 0.000 1.074 504 G HN 1.449 nan 8.290 nan 0.000 0.511 505 Q N -0.836 118.975 119.800 0.019 0.000 2.443 505 Q HA 0.324 4.664 4.340 0.000 0.000 0.241 505 Q C -0.176 175.824 176.000 0.000 0.000 0.880 505 Q CA -0.831 54.974 55.803 0.003 0.000 0.974 505 Q CB 0.446 29.189 28.738 0.008 0.000 1.482 505 Q HN 0.422 nan 8.270 nan 0.000 0.448 506 c N 3.129 121.721 118.600 -0.014 0.000 2.648 506 c HA 0.310 4.881 4.570 0.000 0.000 0.415 506 c C 0.368 174.443 174.090 -0.025 0.000 1.366 506 c CA -0.208 56.111 56.329 -0.016 0.000 1.756 506 c CB -0.431 42.067 42.510 -0.019 0.000 2.549 506 c HN 0.483 nan 8.230 nan 0.000 0.597 507 V N 4.907 124.809 119.914 -0.021 0.000 2.313 507 V HA 0.206 4.326 4.120 0.000 0.000 0.278 507 V C 0.371 176.441 176.094 -0.040 0.000 1.017 507 V CA -0.482 61.810 62.300 -0.013 0.000 0.823 507 V CB 0.490 32.319 31.823 0.011 0.000 1.010 507 V HN 1.081 nan 8.190 nan 0.000 0.443 508 c N 4.172 122.742 118.600 -0.050 0.000 2.657 508 c HA 0.284 4.854 4.570 0.000 0.000 0.404 508 c C 1.014 175.094 174.090 -0.016 0.000 1.291 508 c CA -0.524 55.743 56.329 -0.103 0.000 2.218 508 c CB -0.710 41.774 42.510 -0.044 0.000 2.687 508 c HN 0.825 nan 8.230 nan 0.000 0.634 509 H N 0.206 119.307 119.070 0.052 0.000 2.679 509 H HA 0.236 4.792 4.556 0.000 0.000 0.369 509 H C 0.637 176.004 175.328 0.065 0.000 1.178 509 H CA -0.173 55.906 56.048 0.052 0.000 1.419 509 H CB 0.540 30.335 29.762 0.056 0.000 1.458 509 H HN 0.636 nan 8.280 nan 0.000 0.605 510 S N 0.413 116.226 115.700 0.188 0.000 2.624 510 S HA 0.299 4.770 4.470 0.000 0.000 0.263 510 S C -0.002 174.673 174.600 0.125 0.000 1.287 510 S CA -0.664 57.606 58.200 0.117 0.000 0.990 510 S CB 1.360 64.596 63.200 0.060 0.000 0.950 510 S HN 0.577 nan 8.310 nan 0.000 0.561 511 S N -0.930 114.815 115.700 0.075 0.000 2.550 511 S HA 0.302 4.772 4.470 0.000 0.000 0.270 511 S C -0.397 174.143 174.600 -0.100 0.000 1.145 511 S CA -0.709 57.515 58.200 0.040 0.000 0.852 511 S CB 1.166 64.437 63.200 0.120 0.000 1.119 511 S HN 0.586 nan 8.310 nan 0.000 0.465 512 D N 1.902 122.196 120.400 -0.176 0.000 2.224 512 D HA 0.045 4.686 4.640 0.000 0.000 0.205 512 D C 1.195 177.186 176.300 -0.514 0.000 0.965 512 D CA 1.252 55.037 54.000 -0.358 0.000 0.852 512 D CB -0.084 40.419 40.800 -0.495 0.000 0.947 512 D HN 0.550 nan 8.370 nan 0.000 0.494 513 F N 0.285 119.917 119.950 -0.530 0.000 2.270 513 F HA 0.249 4.776 4.527 0.000 0.000 0.295 513 F C 1.819 177.176 175.800 -0.739 0.000 1.087 513 F CA 0.753 58.319 58.000 -0.724 0.000 1.365 513 F CB 0.163 38.505 39.000 -1.096 0.000 1.056 513 F HN -0.005 nan 8.300 nan 0.000 0.506 514 G N -0.795 107.601 108.800 -0.673 0.000 2.474 514 G HA2 0.266 4.226 3.960 0.000 0.000 0.234 514 G HA3 0.266 4.226 3.960 0.000 0.000 0.234 514 G C -1.617 173.401 174.900 0.196 0.000 1.204 514 G CA -0.884 44.174 45.100 -0.070 0.000 0.939 514 G HN -0.104 nan 8.290 nan 0.000 0.491 515 K N 0.055 120.682 120.400 0.379 0.000 2.164 515 K HA 0.727 5.047 4.320 0.000 0.000 0.258 515 K C -0.869 175.903 176.600 0.287 0.000 0.951 515 K CA -0.671 55.777 56.287 0.268 0.000 0.844 515 K CB 1.369 33.952 32.500 0.139 0.000 1.099 515 K HN 0.326 nan 8.250 nan 0.000 0.435 516 I N 4.042 124.730 120.570 0.196 0.000 2.362 516 I HA 0.225 4.395 4.170 0.000 0.000 0.289 516 I C 0.101 176.240 176.117 0.038 0.000 0.994 516 I CA -0.469 60.888 61.300 0.094 0.000 1.158 516 I CB 1.743 39.806 38.000 0.105 0.000 1.315 516 I HN 0.774 nan 8.210 nan 0.000 0.451 517 T N 1.854 116.410 114.554 0.003 0.000 2.858 517 T HA 0.958 5.309 4.350 0.000 0.000 0.285 517 T C -0.052 174.634 174.700 -0.023 0.000 1.052 517 T CA -0.628 61.468 62.100 -0.007 0.000 1.009 517 T CB 2.131 70.997 68.868 -0.004 0.000 1.241 517 T HN 1.062 nan 8.240 nan 0.000 0.542 518 G N 0.035 108.815 108.800 -0.033 0.000 2.459 518 G HA2 0.003 3.963 3.960 0.000 0.000 0.685 518 G HA3 0.003 3.963 3.960 0.000 0.000 0.685 518 G C 0.073 174.907 174.900 -0.109 0.000 1.303 518 G CA 0.003 45.073 45.100 -0.050 0.000 0.907 518 G HN 0.912 nan 8.290 nan 0.000 0.632 519 K N -0.920 119.353 120.400 -0.212 0.000 2.148 519 K HA 0.046 4.366 4.320 0.000 0.000 0.204 519 K C 0.923 177.185 176.600 -0.563 0.000 1.050 519 K CA 1.779 57.796 56.287 -0.450 0.000 0.942 519 K CB -0.143 31.939 32.500 -0.697 0.000 0.724 519 K HN 0.528 nan 8.250 nan 0.000 0.446 520 Y N -1.239 119.050 120.300 -0.019 0.000 2.716 520 Y HA 0.236 4.787 4.550 0.000 0.000 0.260 520 Y C -0.089 175.786 175.900 -0.042 0.000 1.141 520 Y CA -0.896 57.188 58.100 -0.027 0.000 1.168 520 Y CB -0.194 38.253 38.460 -0.022 0.000 1.189 520 Y HN 0.038 nan 8.280 nan 0.000 0.549 521 c N 1.877 120.496 118.600 0.032 0.000 4.274 521 c HA -0.247 4.323 4.570 0.000 0.000 0.297 521 c C 2.157 176.253 174.090 0.010 0.000 1.446 521 c CA 1.249 57.576 56.329 -0.003 0.000 2.016 521 c CB -1.709 40.774 42.510 -0.046 0.000 1.273 521 c HN 0.757 nan 8.230 nan 0.000 0.782 522 E N -0.904 119.319 120.200 0.040 0.000 2.170 522 E HA -0.031 4.320 4.350 0.000 0.000 0.191 522 E C 0.718 177.305 176.600 -0.022 0.000 0.981 522 E CA 0.752 57.167 56.400 0.025 0.000 0.830 522 E CB -0.221 29.521 29.700 0.070 0.000 0.775 522 E HN 0.726 nan 8.360 nan 0.000 0.470 523 c N 2.200 120.783 118.600 -0.028 0.000 2.527 523 c HA 0.422 4.992 4.570 0.000 0.000 0.396 523 c C 0.269 174.289 174.090 -0.117 0.000 1.289 523 c CA -0.502 55.790 56.329 -0.062 0.000 2.047 523 c CB -0.095 42.391 42.510 -0.040 0.000 2.568 523 c HN 0.398 nan 8.230 nan 0.000 0.573 524 D N 0.087 120.370 120.400 -0.196 0.000 2.449 524 D HA 0.356 4.996 4.640 0.000 0.000 0.250 524 D C -0.121 175.984 176.300 -0.325 0.000 1.050 524 D CA -0.245 53.521 54.000 -0.390 0.000 1.024 524 D CB 1.182 41.634 40.800 -0.580 0.000 1.218 524 D HN 0.552 nan 8.370 nan 0.000 0.566 525 D N -0.277 119.861 120.400 -0.436 0.000 2.582 525 D HA 0.148 4.788 4.640 0.000 0.000 0.246 525 D C -0.693 175.646 176.300 0.065 0.000 1.334 525 D CA -0.116 53.837 54.000 -0.079 0.000 0.805 525 D CB 0.111 40.988 40.800 0.129 0.000 1.087 525 D HN 0.398 nan 8.370 nan 0.000 0.499 526 F N -1.868 118.072 119.950 -0.017 0.000 2.939 526 F HA 0.241 4.768 4.527 0.000 0.000 0.327 526 F C 0.585 176.333 175.800 -0.086 0.000 1.276 526 F CA -0.394 57.591 58.000 -0.026 0.000 0.973 526 F CB -0.525 38.496 39.000 0.036 0.000 1.460 526 F HN -0.066 nan 8.300 nan 0.000 0.499 527 S N -1.364 114.198 115.700 -0.230 0.000 2.593 527 S HA 0.294 4.765 4.470 0.000 0.000 0.236 527 S C 0.492 175.010 174.600 -0.137 0.000 0.991 527 S CA -0.261 57.830 58.200 -0.182 0.000 0.963 527 S CB -0.995 62.050 63.200 -0.259 0.000 0.865 527 S HN 0.339 nan 8.310 nan 0.000 0.488 528 c N 1.935 120.460 118.600 -0.126 0.000 2.705 528 c HA 0.443 5.013 4.570 0.000 0.000 0.365 528 c C 1.080 175.059 174.090 -0.185 0.000 1.353 528 c CA -0.669 55.561 56.329 -0.165 0.000 2.339 528 c CB 0.214 42.629 42.510 -0.158 0.000 2.576 528 c HN 0.478 nan 8.230 nan 0.000 0.716 529 V N 2.754 122.478 119.914 -0.318 0.000 2.811 529 V HA 0.263 4.383 4.120 0.000 0.000 0.302 529 V C 0.463 176.435 176.094 -0.204 0.000 1.063 529 V CA 0.027 62.123 62.300 -0.340 0.000 1.088 529 V CB 0.228 31.588 31.823 -0.771 0.000 0.982 529 V HN 0.779 nan 8.190 nan 0.000 0.485 530 R N 1.419 121.894 120.500 -0.040 0.000 2.668 530 R HA 0.404 4.744 4.340 0.000 0.000 0.279 530 R C -0.094 176.350 176.300 0.241 0.000 0.976 530 R CA -0.614 55.521 56.100 0.059 0.000 0.978 530 R CB 1.437 31.753 30.300 0.027 0.000 1.133 530 R HN 0.774 nan 8.270 nan 0.000 0.484 531 Y N 1.099 121.441 120.300 0.070 0.000 2.439 531 Y HA 0.300 4.851 4.550 0.000 0.000 0.281 531 Y C 0.014 175.915 175.900 0.002 0.000 1.145 531 Y CA 0.912 59.052 58.100 0.066 0.000 1.252 531 Y CB 0.878 39.347 38.460 0.016 0.000 1.271 531 Y HN 0.259 nan 8.280 nan 0.000 0.516 532 K N 0.481 120.734 120.400 -0.245 0.000 2.920 532 K HA 0.343 4.663 4.320 0.000 0.000 0.175 532 K C 0.017 176.542 176.600 -0.125 0.000 1.099 532 K CA 0.208 56.311 56.287 -0.307 0.000 0.939 532 K CB 0.554 32.793 32.500 -0.435 0.000 1.148 532 K HN 0.534 nan 8.250 nan 0.000 0.613 533 G N 1.477 110.232 108.800 -0.074 0.000 2.203 533 G HA2 -0.252 3.709 3.960 0.000 0.000 0.263 533 G HA3 -0.252 3.709 3.960 0.000 0.000 0.263 533 G C -0.249 174.633 174.900 -0.029 0.000 1.012 533 G CA 0.319 45.395 45.100 -0.039 0.000 0.749 533 G HN 0.456 nan 8.290 nan 0.000 0.512 534 E N -0.620 119.565 120.200 -0.025 0.000 2.241 534 E HA 0.375 4.726 4.350 0.000 0.000 0.263 534 E C 0.069 176.649 176.600 -0.033 0.000 0.882 534 E CA -0.831 55.545 56.400 -0.040 0.000 0.769 534 E CB 1.359 31.016 29.700 -0.072 0.000 1.185 534 E HN 0.376 nan 8.360 nan 0.000 0.415 535 M N 2.281 121.856 119.600 -0.042 0.000 2.217 535 M HA 0.044 4.524 4.480 0.000 0.000 0.352 535 M C 0.055 176.302 176.300 -0.089 0.000 1.376 535 M CA 0.396 55.665 55.300 -0.052 0.000 1.107 535 M CB -0.054 32.531 32.600 -0.026 0.000 1.723 535 M HN 0.759 nan 8.290 nan 0.000 0.461 536 c N 3.125 121.658 118.600 -0.111 0.000 4.274 536 c HA -0.205 4.365 4.570 0.000 0.000 0.297 536 c C 1.021 175.010 174.090 -0.168 0.000 1.446 536 c CA 0.574 56.825 56.329 -0.130 0.000 2.016 536 c CB -3.691 38.752 42.510 -0.112 0.000 1.273 536 c HN 1.167 nan 8.230 nan 0.000 0.782 537 S N -3.006 112.606 115.700 -0.146 0.000 3.445 537 S HA -0.210 4.260 4.470 0.000 0.000 0.319 537 S C 1.538 175.748 174.600 -0.650 0.000 1.209 537 S CA 1.555 59.583 58.200 -0.286 0.000 0.934 537 S CB -1.683 61.295 63.200 -0.370 0.000 0.999 537 S HN 2.612 nan 8.310 nan 0.000 0.582 538 G N 0.204 108.760 108.800 -0.407 0.000 2.203 538 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 538 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 538 G C -0.110 174.550 174.900 -0.399 0.000 1.012 538 G CA 0.887 45.763 45.100 -0.374 0.000 0.749 538 G HN 0.893 nan 8.290 nan 0.000 0.512 539 H N -0.719 118.191 119.070 -0.266 0.000 2.549 539 H HA 0.509 5.065 4.556 0.000 0.000 0.253 539 H C 0.936 176.183 175.328 -0.134 0.000 1.170 539 H CA -0.091 55.758 56.048 -0.332 0.000 0.943 539 H CB 1.016 30.257 29.762 -0.868 0.000 1.849 539 H HN 0.759 nan 8.280 nan 0.000 0.603 540 G N 0.296 109.095 108.800 -0.001 0.000 2.442 540 G HA2 0.116 4.076 3.960 0.000 0.000 0.296 540 G HA3 0.116 4.076 3.960 0.000 0.000 0.296 540 G C -1.882 173.010 174.900 -0.014 0.000 1.564 540 G CA -0.919 44.188 45.100 0.011 0.000 0.828 540 G HN 0.165 nan 8.290 nan 0.000 0.571 541 Q N -0.318 119.480 119.800 -0.003 0.000 2.235 541 Q HA 0.509 4.849 4.340 0.000 0.000 0.250 541 Q C -0.104 175.885 176.000 -0.018 0.000 0.909 541 Q CA -0.606 55.191 55.803 -0.009 0.000 0.910 541 Q CB 1.530 30.267 28.738 -0.001 0.000 1.223 541 Q HN 0.685 nan 8.270 nan 0.000 0.432 542 c N 2.629 121.216 118.600 -0.021 0.000 2.514 542 c HA 0.557 5.127 4.570 0.000 0.000 0.392 542 c C -0.093 173.979 174.090 -0.031 0.000 1.294 542 c CA 0.021 56.328 56.329 -0.037 0.000 1.957 542 c CB -0.149 42.340 42.510 -0.035 0.000 2.541 542 c HN 0.714 nan 8.230 nan 0.000 0.569 543 S N 4.526 120.202 115.700 -0.039 0.000 2.775 543 S HA 0.327 4.798 4.470 0.000 0.000 0.277 543 S C -0.171 174.404 174.600 -0.041 0.000 1.156 543 S CA 0.043 58.224 58.200 -0.031 0.000 1.081 543 S CB 0.472 63.665 63.200 -0.012 0.000 1.054 543 S HN 1.645 nan 8.310 nan 0.000 0.482 544 c N 4.128 122.690 118.600 -0.062 0.000 4.365 544 c HA -0.104 4.466 4.570 0.000 0.000 0.299 544 c C 1.671 175.720 174.090 -0.069 0.000 1.409 544 c CA 1.269 57.558 56.329 -0.066 0.000 2.007 544 c CB -2.262 40.228 42.510 -0.032 0.000 1.264 544 c HN 2.345 nan 8.230 nan 0.000 0.777 545 G N -0.256 108.486 108.800 -0.097 0.000 2.241 545 G HA2 -0.177 3.783 3.960 0.000 0.000 0.244 545 G HA3 -0.177 3.783 3.960 0.000 0.000 0.244 545 G C -0.381 174.482 174.900 -0.062 0.000 0.998 545 G CA 0.543 45.589 45.100 -0.090 0.000 0.621 545 G HN 0.748 nan 8.290 nan 0.000 0.519 546 D N 0.312 120.689 120.400 -0.038 0.000 2.192 546 D HA 0.538 5.179 4.640 0.000 0.000 0.246 546 D C 0.183 176.455 176.300 -0.047 0.000 1.042 546 D CA -0.263 53.731 54.000 -0.011 0.000 0.847 546 D CB 1.412 42.236 40.800 0.039 0.000 1.186 546 D HN 0.186 nan 8.370 nan 0.000 0.461 547 c N 2.502 121.050 118.600 -0.087 0.000 2.566 547 c HA 0.235 4.806 4.570 0.000 0.000 0.393 547 c C 0.736 174.819 174.090 -0.012 0.000 1.309 547 c CA -0.636 55.645 56.329 -0.080 0.000 1.801 547 c CB -1.066 41.356 42.510 -0.146 0.000 2.493 547 c HN 0.328 nan 8.230 nan 0.000 0.575 548 L N 4.571 125.795 121.223 0.001 0.000 2.282 548 L HA 0.262 4.603 4.340 0.000 0.000 0.287 548 L C 0.302 177.196 176.870 0.041 0.000 1.075 548 L CA -0.164 54.692 54.840 0.027 0.000 0.839 548 L CB -0.141 41.932 42.059 0.024 0.000 1.219 548 L HN 0.762 nan 8.230 nan 0.000 0.434 549 c N 1.389 120.029 118.600 0.066 0.000 2.656 549 c HA 0.171 4.741 4.570 0.000 0.000 0.391 549 c C 0.894 175.056 174.090 0.120 0.000 1.300 549 c CA -0.882 55.511 56.329 0.106 0.000 2.302 549 c CB 0.277 42.878 42.510 0.150 0.000 2.655 549 c HN 0.650 nan 8.230 nan 0.000 0.656 550 D N 0.448 120.954 120.400 0.175 0.000 2.414 550 D HA 0.075 4.715 4.640 0.000 0.000 0.251 550 D C 1.168 177.549 176.300 0.135 0.000 1.252 550 D CA -0.093 54.005 54.000 0.163 0.000 0.999 550 D CB 0.244 41.178 40.800 0.224 0.000 1.093 550 D HN 0.576 nan 8.370 nan 0.000 0.515 551 S N -0.700 115.044 115.700 0.074 0.000 2.399 551 S HA -0.185 4.285 4.470 0.000 0.000 0.231 551 S C 0.632 175.206 174.600 -0.044 0.000 1.022 551 S CA 1.681 59.884 58.200 0.006 0.000 0.983 551 S CB -0.292 62.886 63.200 -0.036 0.000 0.803 551 S HN 0.520 nan 8.310 nan 0.000 0.480 552 D N -1.404 118.944 120.400 -0.086 0.000 2.643 552 D HA 0.302 4.943 4.640 0.000 0.000 0.244 552 D C -0.577 175.340 176.300 -0.639 0.000 1.257 552 D CA -0.496 53.311 54.000 -0.322 0.000 0.831 552 D CB -0.217 40.352 40.800 -0.386 0.000 1.043 552 D HN 0.395 nan 8.370 nan 0.000 0.488 553 W N -0.318 120.950 121.300 -0.053 0.000 3.256 553 W HA 0.568 5.229 4.660 0.000 0.000 0.324 553 W C -0.366 176.150 176.519 -0.004 0.000 1.196 553 W CA -0.998 56.318 57.345 -0.048 0.000 1.206 553 W CB 2.214 31.636 29.460 -0.063 0.000 1.385 553 W HN -0.226 nan 8.180 nan 0.000 0.522 554 T N 0.444 115.153 114.554 0.258 0.000 2.838 554 T HA 0.809 5.159 4.350 0.000 0.000 0.292 554 T C -0.117 174.691 174.700 0.179 0.000 1.113 554 T CA 0.320 62.520 62.100 0.168 0.000 1.008 554 T CB 1.190 70.118 68.868 0.099 0.000 1.259 554 T HN 1.518 nan 8.240 nan 0.000 0.520 555 G N 0.415 109.310 108.800 0.158 0.000 2.663 555 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 555 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 555 G C -0.006 175.038 174.900 0.240 0.000 1.288 555 G CA 0.237 45.453 45.100 0.194 0.000 0.836 555 G HN 1.017 nan 8.290 nan 0.000 0.584 556 Y N -0.438 119.956 120.300 0.156 0.000 2.421 556 Y HA 0.071 4.621 4.550 0.000 0.000 0.292 556 Y C 2.308 178.215 175.900 0.011 0.000 1.136 556 Y CA 2.080 60.232 58.100 0.086 0.000 1.255 556 Y CB 0.052 38.570 38.460 0.096 0.000 0.991 556 Y HN 0.529 nan 8.280 nan 0.000 0.552 557 Y N -2.271 117.991 120.300 -0.063 0.000 2.449 557 Y HA 0.152 4.703 4.550 0.000 0.000 0.254 557 Y C 1.204 177.030 175.900 -0.122 0.000 1.140 557 Y CA 0.041 58.047 58.100 -0.157 0.000 1.272 557 Y CB 0.133 38.534 38.460 -0.098 0.000 1.114 557 Y HN 0.043 nan 8.280 nan 0.000 0.525 558 c N 3.023 121.685 118.600 0.102 0.000 4.350 558 c HA -0.201 4.369 4.570 0.000 0.000 0.302 558 c C 1.146 175.269 174.090 0.055 0.000 1.390 558 c CA 0.872 57.265 56.329 0.107 0.000 2.016 558 c CB -2.374 40.166 42.510 0.050 0.000 1.271 558 c HN 0.814 nan 8.230 nan 0.000 0.760 559 N N -0.972 117.748 118.700 0.033 0.000 2.177 559 N HA 0.165 4.905 4.740 0.000 0.000 0.218 559 N C -0.229 175.382 175.510 0.170 0.000 1.182 559 N CA 0.224 53.209 53.050 -0.108 0.000 0.882 559 N CB 0.015 38.119 38.487 -0.639 0.000 1.052 559 N HN 0.681 nan 8.380 nan 0.000 0.519 560 c N 1.693 120.465 118.600 0.288 0.000 2.223 560 c HA 0.516 5.086 4.570 0.000 0.000 0.324 560 c C 0.750 174.996 174.090 0.260 0.000 1.196 560 c CA -0.279 56.194 56.329 0.240 0.000 1.628 560 c CB -0.916 41.669 42.510 0.126 0.000 2.229 560 c HN 0.409 nan 8.230 nan 0.000 0.486 561 T N 3.058 117.655 114.554 0.071 0.000 2.900 561 T HA 0.163 4.514 4.350 0.000 0.000 0.307 561 T C 1.575 176.108 174.700 -0.278 0.000 1.065 561 T CA 0.794 62.600 62.100 -0.489 0.000 1.105 561 T CB 0.830 69.255 68.868 -0.739 0.000 0.979 561 T HN 0.930 nan 8.240 nan 0.000 0.544 562 T N 2.050 116.394 114.554 -0.350 0.000 3.067 562 T HA 0.188 4.538 4.350 0.000 0.000 0.257 562 T C 0.925 175.524 174.700 -0.167 0.000 1.105 562 T CA 0.036 62.022 62.100 -0.190 0.000 1.104 562 T CB 0.011 68.782 68.868 -0.161 0.000 0.925 562 T HN 0.536 nan 8.240 nan 0.000 0.498 563 R N 2.000 122.359 120.500 -0.236 0.000 2.734 563 R HA 0.273 4.613 4.340 0.000 0.000 0.266 563 R C 0.810 177.044 176.300 -0.109 0.000 1.044 563 R CA 0.914 56.916 56.100 -0.163 0.000 1.128 563 R CB 0.186 30.363 30.300 -0.204 0.000 1.010 563 R HN 0.492 nan 8.270 nan 0.000 0.461 564 T N -3.082 111.427 114.554 -0.074 0.000 3.393 564 T HA 0.103 4.453 4.350 0.000 0.000 0.298 564 T C 0.163 174.835 174.700 -0.047 0.000 1.004 564 T CA -0.593 61.477 62.100 -0.051 0.000 0.956 564 T CB 0.246 69.093 68.868 -0.035 0.000 1.182 564 T HN 0.343 nan 8.240 nan 0.000 0.497 565 D N 2.794 123.157 120.400 -0.062 0.000 2.097 565 D HA -0.093 4.547 4.640 0.000 0.000 0.197 565 D C 2.387 178.661 176.300 -0.042 0.000 0.984 565 D CA 2.150 56.114 54.000 -0.060 0.000 0.826 565 D CB -0.413 40.337 40.800 -0.083 0.000 0.973 565 D HN 0.667 nan 8.370 nan 0.000 0.460 566 T N -1.710 112.821 114.554 -0.038 0.000 3.035 566 T HA -0.068 4.282 4.350 0.000 0.000 0.268 566 T C 2.267 176.958 174.700 -0.015 0.000 1.109 566 T CA 0.438 62.526 62.100 -0.022 0.000 1.119 566 T CB -0.684 68.175 68.868 -0.014 0.000 0.900 566 T HN 0.090 nan 8.240 nan 0.000 0.503 567 c N 0.698 119.287 118.600 -0.019 0.000 2.450 567 c HA 0.404 4.974 4.570 0.000 0.000 0.279 567 c C 1.432 175.515 174.090 -0.012 0.000 1.335 567 c CA -0.482 55.840 56.329 -0.012 0.000 1.749 567 c CB -1.000 41.501 42.510 -0.014 0.000 1.963 567 c HN 0.651 nan 8.230 nan 0.000 0.501 568 M N 1.231 120.820 119.600 -0.017 0.000 2.255 568 M HA 0.272 4.753 4.480 0.000 0.000 0.336 568 M C 0.434 176.727 176.300 -0.013 0.000 1.135 568 M CA 0.318 55.607 55.300 -0.017 0.000 1.145 568 M CB 0.754 33.341 32.600 -0.021 0.000 1.473 568 M HN 0.387 nan 8.290 nan 0.000 0.462 569 S N 0.879 116.572 115.700 -0.011 0.000 2.751 569 S HA 0.427 4.898 4.470 0.000 0.000 0.310 569 S C 0.764 175.360 174.600 -0.007 0.000 1.128 569 S CA -0.212 57.983 58.200 -0.008 0.000 0.931 569 S CB 1.283 64.479 63.200 -0.006 0.000 1.177 569 S HN 0.821 nan 8.310 nan 0.000 0.530 570 S N 0.899 116.597 115.700 -0.004 0.000 2.419 570 S HA -0.237 4.233 4.470 0.000 0.000 0.235 570 S C 1.615 176.215 174.600 -0.001 0.000 1.019 570 S CA 1.575 59.774 58.200 -0.002 0.000 0.982 570 S CB -1.172 62.027 63.200 -0.001 0.000 0.789 570 S HN 0.798 nan 8.310 nan 0.000 0.490 571 N N 2.388 121.088 118.700 0.000 0.000 2.027 571 N HA -0.060 4.681 4.740 0.000 0.000 0.200 571 N C 1.435 176.944 175.510 -0.002 0.000 1.042 571 N CA 3.025 56.080 53.050 0.007 0.000 0.871 571 N CB -0.891 37.603 38.487 0.013 0.000 1.063 571 N HN 0.664 nan 8.380 nan 0.000 0.438 572 G N -1.984 106.807 108.800 -0.015 0.000 3.514 572 G HA2 -0.052 3.908 3.960 0.000 0.000 0.197 572 G HA3 -0.052 3.908 3.960 0.000 0.000 0.197 572 G C -0.212 174.659 174.900 -0.048 0.000 1.098 572 G CA 0.053 45.136 45.100 -0.029 0.000 0.884 572 G HN 0.257 nan 8.290 nan 0.000 0.433 573 L N 1.896 123.080 121.223 -0.065 0.000 2.416 573 L HA 0.617 4.958 4.340 0.000 0.000 0.262 573 L C 0.728 177.564 176.870 -0.057 0.000 1.093 573 L CA -1.013 53.772 54.840 -0.092 0.000 0.801 573 L CB 1.138 43.094 42.059 -0.172 0.000 1.191 573 L HN 0.073 nan 8.230 nan 0.000 0.459 574 L N 0.382 121.572 121.223 -0.054 0.000 2.453 574 L HA 0.056 4.396 4.340 0.000 0.000 0.272 574 L C 0.269 177.130 176.870 -0.016 0.000 1.182 574 L CA -0.430 54.392 54.840 -0.030 0.000 0.858 574 L CB 0.446 42.489 42.059 -0.027 0.000 1.120 574 L HN 0.820 nan 8.230 nan 0.000 0.474 575 c N 2.924 121.520 118.600 -0.006 0.000 4.056 575 c HA -0.225 4.345 4.570 0.000 0.000 0.302 575 c C 1.678 175.776 174.090 0.013 0.000 1.356 575 c CA 0.444 56.777 56.329 0.006 0.000 2.074 575 c CB -3.256 39.263 42.510 0.015 0.000 1.328 575 c HN 1.206 nan 8.230 nan 0.000 0.684 576 S N -0.337 115.366 115.700 0.006 0.000 4.155 576 S HA -0.360 4.110 4.470 0.000 0.000 0.539 576 S C 1.611 176.237 174.600 0.043 0.000 1.841 576 S CA 2.247 60.458 58.200 0.018 0.000 4.215 576 S CB -1.418 61.791 63.200 0.016 0.000 0.531 576 S HN 1.642 nan 8.310 nan 0.000 0.461 577 G N 1.640 110.492 108.800 0.086 0.000 2.561 577 G HA2 0.336 4.296 3.960 0.000 0.000 0.208 577 G HA3 0.336 4.296 3.960 0.000 0.000 0.208 577 G C 0.248 175.260 174.900 0.187 0.000 1.510 577 G CA 0.410 45.622 45.100 0.186 0.000 0.941 577 G HN 0.604 nan 8.290 nan 0.000 0.478 578 R N -0.669 119.921 120.500 0.150 0.000 2.598 578 R HA 0.570 4.910 4.340 0.000 0.000 0.279 578 R C -0.517 175.823 176.300 0.067 0.000 0.984 578 R CA 0.481 56.653 56.100 0.120 0.000 0.999 578 R CB 1.629 31.986 30.300 0.096 0.000 1.114 578 R HN 0.766 nan 8.270 nan 0.000 0.493 579 G N 2.095 110.929 108.800 0.057 0.000 2.196 579 G HA2 -0.025 3.935 3.960 0.000 0.000 0.215 579 G HA3 -0.025 3.935 3.960 0.000 0.000 0.215 579 G C -1.442 173.477 174.900 0.032 0.000 1.640 579 G CA -1.012 44.111 45.100 0.039 0.000 0.946 579 G HN 0.373 nan 8.290 nan 0.000 0.710 580 K N 1.033 121.450 120.400 0.029 0.000 2.339 580 K HA 0.395 4.715 4.320 0.000 0.000 0.286 580 K C 0.512 177.123 176.600 0.017 0.000 1.050 580 K CA -0.400 55.900 56.287 0.022 0.000 0.956 580 K CB 1.558 34.071 32.500 0.023 0.000 0.990 580 K HN 0.535 nan 8.250 nan 0.000 0.475 581 c N 4.307 122.913 118.600 0.010 0.000 2.499 581 c HA 0.163 4.734 4.570 0.000 0.000 0.386 581 c C -0.317 173.776 174.090 0.005 0.000 1.293 581 c CA -0.085 56.247 56.329 0.005 0.000 1.884 581 c CB -0.844 41.663 42.510 -0.005 0.000 2.509 581 c HN 0.752 nan 8.230 nan 0.000 0.566 582 E N 3.793 123.998 120.200 0.008 0.000 2.302 582 E HA 0.338 4.688 4.350 0.000 0.000 0.263 582 E C -0.093 176.515 176.600 0.013 0.000 0.897 582 E CA -0.448 55.959 56.400 0.012 0.000 0.809 582 E CB 1.117 30.829 29.700 0.020 0.000 1.270 582 E HN 0.904 nan 8.360 nan 0.000 0.410 583 c N 2.709 121.313 118.600 0.006 0.000 4.454 583 c HA -0.159 4.411 4.570 0.000 0.000 0.298 583 c C 1.457 175.549 174.090 0.004 0.000 1.384 583 c CA 0.455 56.793 56.329 0.014 0.000 2.002 583 c CB -2.373 40.166 42.510 0.048 0.000 1.249 583 c HN 1.288 nan 8.230 nan 0.000 0.783 584 G N -0.884 107.902 108.800 -0.023 0.000 2.162 584 G HA2 -0.134 3.827 3.960 0.000 0.000 0.260 584 G HA3 -0.134 3.827 3.960 0.000 0.000 0.260 584 G C -0.047 174.853 174.900 0.000 0.000 0.976 584 G CA 0.535 45.621 45.100 -0.024 0.000 0.655 584 G HN 1.320 nan 8.290 nan 0.000 0.533 585 S N -0.836 114.870 115.700 0.011 0.000 2.538 585 S HA 0.576 5.046 4.470 0.000 0.000 0.288 585 S C 0.289 174.900 174.600 0.019 0.000 1.108 585 S CA -0.420 57.792 58.200 0.019 0.000 0.971 585 S CB 1.864 65.082 63.200 0.031 0.000 1.041 585 S HN 0.555 nan 8.310 nan 0.000 0.483 586 c N 2.614 121.226 118.600 0.020 0.000 2.652 586 c HA 0.460 5.030 4.570 0.000 0.000 0.412 586 c C 0.399 174.506 174.090 0.028 0.000 1.294 586 c CA -0.504 55.838 56.329 0.021 0.000 2.127 586 c CB -0.177 42.346 42.510 0.021 0.000 2.691 586 c HN 0.625 nan 8.230 nan 0.000 0.615 587 V N 3.102 123.033 119.914 0.028 0.000 2.304 587 V HA 0.176 4.296 4.120 0.000 0.000 0.278 587 V C 0.034 176.148 176.094 0.034 0.000 1.018 587 V CA -0.443 61.876 62.300 0.031 0.000 0.814 587 V CB 0.435 32.274 31.823 0.028 0.000 1.021 587 V HN 1.082 nan 8.190 nan 0.000 0.440 588 c N 6.083 124.707 118.600 0.040 0.000 2.648 588 c HA 0.229 4.800 4.570 0.000 0.000 0.415 588 c C 1.889 176.001 174.090 0.038 0.000 1.366 588 c CA -0.393 55.961 56.329 0.042 0.000 1.756 588 c CB -0.540 42.002 42.510 0.055 0.000 2.549 588 c HN 0.695 nan 8.230 nan 0.000 0.597 589 I N 1.538 122.128 120.570 0.033 0.000 2.729 589 I HA 0.031 4.202 4.170 0.000 0.000 0.256 589 I C 1.421 177.549 176.117 0.018 0.000 1.115 589 I CA 0.730 62.046 61.300 0.026 0.000 1.446 589 I CB -1.092 36.924 38.000 0.026 0.000 1.176 589 I HN 0.680 nan 8.210 nan 0.000 0.446 590 Q N 3.928 123.739 119.800 0.018 0.000 2.339 590 Q HA -0.020 4.320 4.340 0.000 0.000 0.308 590 Q C -2.306 173.699 176.000 0.008 0.000 1.097 590 Q CA -0.876 54.929 55.803 0.003 0.000 1.007 590 Q CB 0.207 28.948 28.738 0.006 0.000 1.051 590 Q HN 0.056 nan 8.270 nan 0.000 0.381 591 P HA 0.011 nan 4.420 nan 0.000 0.261 591 P C 0.393 177.706 177.300 0.023 0.000 1.183 591 P CA 1.381 64.484 63.100 0.006 0.000 0.761 591 P CB 0.580 32.273 31.700 -0.013 0.000 0.785 592 G N 2.121 110.953 108.800 0.053 0.000 2.199 592 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 592 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 592 G C 0.305 175.304 174.900 0.165 0.000 0.982 592 G CA 0.226 45.383 45.100 0.095 0.000 0.632 592 G HN 0.768 nan 8.290 nan 0.000 0.529 593 S N 0.142 115.908 115.700 0.109 0.000 2.586 593 S HA 0.824 5.294 4.470 0.000 0.000 0.274 593 S C -0.247 174.452 174.600 0.165 0.000 1.281 593 S CA 0.276 58.515 58.200 0.064 0.000 1.035 593 S CB 1.644 64.849 63.200 0.008 0.000 0.962 593 S HN 1.768 nan 8.310 nan 0.000 0.512 594 Y N -1.350 118.960 120.300 0.016 0.000 2.764 594 Y HA 0.862 5.413 4.550 0.000 0.000 0.331 594 Y C 0.008 175.918 175.900 0.017 0.000 1.280 594 Y CA -0.609 57.500 58.100 0.015 0.000 1.065 594 Y CB 0.586 39.053 38.460 0.011 0.000 1.319 594 Y HN 1.423 nan 8.280 nan 0.000 0.453 595 G N 0.690 109.608 108.800 0.198 0.000 2.462 595 G HA2 -0.064 3.897 3.960 0.000 0.000 0.685 595 G HA3 -0.064 3.897 3.960 0.000 0.000 0.685 595 G C -0.852 174.086 174.900 0.062 0.000 1.295 595 G CA -0.089 45.066 45.100 0.091 0.000 0.941 595 G HN 0.680 nan 8.290 nan 0.000 0.554 596 D N -0.223 120.201 120.400 0.040 0.000 2.117 596 D HA 0.012 4.652 4.640 0.000 0.000 0.198 596 D C 2.413 178.724 176.300 0.020 0.000 0.982 596 D CA 2.416 56.434 54.000 0.031 0.000 0.828 596 D CB -0.102 40.712 40.800 0.023 0.000 0.967 596 D HN 0.901 nan 8.370 nan 0.000 0.464 597 T N -2.910 111.648 114.554 0.007 0.000 3.266 597 T HA 0.257 4.607 4.350 0.000 0.000 0.278 597 T C 0.702 175.400 174.700 -0.004 0.000 1.010 597 T CA -0.395 61.707 62.100 0.002 0.000 0.909 597 T CB -0.996 67.870 68.868 -0.003 0.000 1.122 597 T HN 0.162 nan 8.240 nan 0.000 0.536 598 c N 2.874 121.470 118.600 -0.008 0.000 4.268 598 c HA -0.145 4.425 4.570 0.000 0.000 0.299 598 c C 2.077 176.128 174.090 -0.064 0.000 1.429 598 c CA 0.825 57.137 56.329 -0.027 0.000 2.018 598 c CB -2.498 40.014 42.510 0.004 0.000 1.277 598 c HN 0.866 nan 8.230 nan 0.000 0.767 599 E N 0.396 120.546 120.200 -0.083 0.000 2.230 599 E HA -0.044 4.306 4.350 0.000 0.000 0.192 599 E C 0.508 177.018 176.600 -0.150 0.000 0.987 599 E CA 0.859 57.211 56.400 -0.081 0.000 0.841 599 E CB 0.081 29.749 29.700 -0.053 0.000 0.783 599 E HN 0.608 nan 8.360 nan 0.000 0.481 600 K N 0.969 121.183 120.400 -0.310 0.000 2.227 600 K HA 0.299 4.619 4.320 0.000 0.000 0.280 600 K C -0.648 175.580 176.600 -0.619 0.000 1.041 600 K CA -0.461 55.511 56.287 -0.526 0.000 0.905 600 K CB 1.362 33.321 32.500 -0.903 0.000 1.068 600 K HN 0.113 nan 8.250 nan 0.000 0.470 601 C N 6.173 125.283 119.300 -0.316 0.000 3.277 601 C HA 0.266 4.726 4.460 0.000 0.000 0.352 601 C C -1.700 173.273 174.990 -0.029 0.000 0.998 601 C CA -1.122 57.810 59.018 -0.143 0.000 1.303 601 C CB 0.042 27.736 27.740 -0.077 0.000 1.698 601 C HN 0.629 nan 8.230 nan 0.000 0.574 602 P HA -0.066 nan 4.420 nan 0.000 0.217 602 P C 1.313 178.633 177.300 0.033 0.000 1.150 602 P CA 1.844 64.975 63.100 0.052 0.000 0.832 602 P CB 0.080 31.843 31.700 0.105 0.000 0.787 603 T N -4.768 109.812 114.554 0.044 0.000 3.206 603 T HA 0.183 4.533 4.350 0.000 0.000 0.253 603 T C 0.455 175.159 174.700 0.006 0.000 1.042 603 T CA -0.443 61.672 62.100 0.024 0.000 0.931 603 T CB -1.493 67.393 68.868 0.031 0.000 1.029 603 T HN -0.078 nan 8.240 nan 0.000 0.564 604 C N 4.288 123.588 119.300 0.000 0.000 2.601 604 C HA 0.402 4.862 4.460 0.000 0.000 0.409 604 C C -1.572 173.409 174.990 -0.014 0.000 1.293 604 C CA -1.481 57.529 59.018 -0.013 0.000 2.101 604 C CB 0.284 28.019 27.740 -0.008 0.000 2.639 604 C HN 0.482 nan 8.230 nan 0.000 0.592 605 P HA 0.100 nan 4.420 nan 0.000 0.264 605 P C -0.305 177.012 177.300 0.028 0.000 1.229 605 P CA 0.172 63.271 63.100 -0.002 0.000 0.780 605 P CB 0.145 31.831 31.700 -0.023 0.000 0.808 606 D N 2.753 123.162 120.400 0.016 0.000 2.601 606 D HA -0.123 4.518 4.640 0.000 0.000 0.229 606 D C 1.283 177.619 176.300 0.060 0.000 1.140 606 D CA 0.094 54.096 54.000 0.003 0.000 0.862 606 D CB 0.457 41.228 40.800 -0.048 0.000 1.192 606 D HN 0.330 nan 8.370 nan 0.000 0.480 607 A N 2.474 125.331 122.820 0.062 0.000 1.958 607 A HA -0.221 4.100 4.320 0.000 0.000 0.221 607 A C 1.829 179.548 177.584 0.225 0.000 1.178 607 A CA 1.271 53.406 52.037 0.163 0.000 0.642 607 A CB -0.648 18.421 19.000 0.114 0.000 0.816 607 A HN 0.731 nan 8.150 nan 0.000 0.453 608 c N 0.244 118.924 118.600 0.133 0.000 3.305 608 c HA 0.503 5.074 4.570 0.000 0.000 0.566 608 c C 1.354 175.537 174.090 0.155 0.000 1.178 608 c CA 0.742 57.188 56.329 0.194 0.000 1.317 608 c CB -2.322 40.196 42.510 0.013 0.000 1.634 608 c HN 0.649 nan 8.230 nan 0.000 0.643 609 T N -0.967 113.693 114.554 0.176 0.000 3.604 609 T HA 0.047 4.397 4.350 0.000 0.000 0.179 609 T C 0.753 175.518 174.700 0.109 0.000 0.771 609 T CA 0.006 62.184 62.100 0.129 0.000 0.942 609 T CB -0.725 68.214 68.868 0.118 0.000 0.975 609 T HN 0.274 nan 8.240 nan 0.000 0.300 610 F N 2.151 122.105 119.950 0.007 0.000 2.219 610 F HA 0.347 4.874 4.527 0.000 0.000 0.294 610 F C 1.003 176.786 175.800 -0.029 0.000 1.086 610 F CA 0.926 58.912 58.000 -0.023 0.000 1.330 610 F CB 0.246 39.232 39.000 -0.022 0.000 1.047 610 F HN -0.098 nan 8.300 nan 0.000 0.495 611 K N 2.002 122.522 120.400 0.199 0.000 3.006 611 K HA 0.015 4.335 4.320 0.000 0.000 0.265 611 K C 0.165 176.799 176.600 0.056 0.000 1.279 611 K CA 0.099 56.461 56.287 0.125 0.000 1.229 611 K CB -0.451 32.181 32.500 0.219 0.000 1.555 611 K HN 0.409 nan 8.250 nan 0.000 0.300 612 K N -0.214 120.119 120.400 -0.111 0.000 2.537 612 K HA 0.035 4.355 4.320 0.000 0.000 0.206 612 K C 0.599 177.005 176.600 -0.324 0.000 1.041 612 K CA -0.139 55.993 56.287 -0.259 0.000 1.090 612 K CB 0.310 32.599 32.500 -0.352 0.000 0.833 612 K HN 0.212 nan 8.250 nan 0.000 0.493 613 E N -0.046 120.016 120.200 -0.230 0.000 2.502 613 E HA -0.042 4.308 4.350 0.000 0.000 0.194 613 E C 0.615 177.129 176.600 -0.143 0.000 1.062 613 E CA 0.139 56.422 56.400 -0.196 0.000 0.867 613 E CB -0.187 29.414 29.700 -0.166 0.000 0.888 613 E HN 0.313 nan 8.360 nan 0.000 0.510 614 c N 0.729 119.229 118.600 -0.166 0.000 2.472 614 c HA 0.056 4.626 4.570 0.000 0.000 0.278 614 c C 1.518 175.536 174.090 -0.120 0.000 1.447 614 c CA 0.055 56.301 56.329 -0.137 0.000 1.773 614 c CB -0.526 41.880 42.510 -0.174 0.000 1.793 614 c HN 0.325 nan 8.230 nan 0.000 0.544 615 V N 0.542 120.371 119.914 -0.141 0.000 2.933 615 V HA 0.210 4.331 4.120 0.000 0.000 0.374 615 V C 0.866 176.942 176.094 -0.029 0.000 1.321 615 V CA 0.527 62.781 62.300 -0.077 0.000 1.290 615 V CB -0.636 31.133 31.823 -0.090 0.000 1.346 615 V HN 0.444 nan 8.190 nan 0.000 0.560 616 E N -1.257 118.923 120.200 -0.033 0.000 3.293 616 E HA 0.072 4.422 4.350 0.000 0.000 0.218 616 E C 1.587 178.192 176.600 0.009 0.000 1.112 616 E CA 0.770 57.165 56.400 -0.008 0.000 1.642 616 E CB 0.050 29.703 29.700 -0.078 0.000 1.630 616 E HN 0.438 nan 8.360 nan 0.000 0.820 617 c N 1.779 120.371 118.600 -0.014 0.000 2.476 617 c HA 0.085 4.655 4.570 0.000 0.000 0.278 617 c C 2.685 176.794 174.090 0.031 0.000 1.274 617 c CA 1.418 57.754 56.329 0.011 0.000 1.713 617 c CB -0.254 42.257 42.510 0.001 0.000 2.039 617 c HN 0.272 nan 8.230 nan 0.000 0.484 618 K N 0.252 120.663 120.400 0.017 0.000 2.108 618 K HA 0.070 4.390 4.320 0.000 0.000 0.204 618 K C 0.702 177.326 176.600 0.039 0.000 1.036 618 K CA 0.412 56.712 56.287 0.020 0.000 0.965 618 K CB -0.084 32.417 32.500 0.001 0.000 0.804 618 K HN 0.230 nan 8.250 nan 0.000 0.454 619 K N 0.606 121.038 120.400 0.052 0.000 2.276 619 K HA 0.037 4.357 4.320 0.000 0.000 0.285 619 K C -1.115 175.623 176.600 0.230 0.000 1.062 619 K CA -0.134 56.223 56.287 0.116 0.000 0.918 619 K CB 0.119 32.670 32.500 0.085 0.000 1.055 619 K HN 0.166 nan 8.250 nan 0.000 0.477 620 F N 3.377 123.319 119.950 -0.014 0.000 2.688 620 F HA -0.237 4.291 4.527 0.000 0.000 0.276 620 F C 0.052 175.840 175.800 -0.020 0.000 1.034 620 F CA 0.585 58.577 58.000 -0.014 0.000 0.991 620 F CB -0.771 38.222 39.000 -0.012 0.000 1.119 620 F HN 0.695 nan 8.300 nan 0.000 0.837 621 D N 3.183 123.601 120.400 0.030 0.000 2.502 621 D HA 0.181 4.821 4.640 0.000 0.000 0.249 621 D C 0.281 176.570 176.300 -0.019 0.000 1.188 621 D CA 0.347 54.362 54.000 0.024 0.000 0.890 621 D CB 0.934 41.759 40.800 0.041 0.000 1.140 621 D HN 0.677 nan 8.370 nan 0.000 0.505 622 R N 1.215 121.706 120.500 -0.016 0.000 2.664 622 R HA 0.520 4.860 4.340 0.000 0.000 0.266 622 R C -0.151 176.116 176.300 -0.055 0.000 1.046 622 R CA 0.054 56.118 56.100 -0.060 0.000 0.885 622 R CB 1.309 31.604 30.300 -0.008 0.000 1.254 622 R HN 0.762 nan 8.270 nan 0.000 0.465 623 G N 1.062 109.817 108.800 -0.075 0.000 2.482 623 G HA2 0.130 4.090 3.960 0.000 0.000 0.214 623 G HA3 0.130 4.090 3.960 0.000 0.000 0.214 623 G C -0.554 174.331 174.900 -0.025 0.000 1.271 623 G CA -0.275 44.791 45.100 -0.057 0.000 0.944 623 G HN 0.911 nan 8.290 nan 0.000 0.568 624 A N -1.097 121.716 122.820 -0.011 0.000 2.251 624 A HA 0.804 5.124 4.320 0.000 0.000 0.278 624 A C 1.607 179.224 177.584 0.054 0.000 1.206 624 A CA 0.721 52.775 52.037 0.028 0.000 0.822 624 A CB -0.176 18.840 19.000 0.027 0.000 1.187 624 A HN 2.275 nan 8.150 nan 0.000 0.504 625 L N -1.786 119.476 121.223 0.065 0.000 4.040 625 L HA -0.264 4.076 4.340 0.000 0.000 0.410 625 L C 0.967 177.894 176.870 0.095 0.000 1.187 625 L CA 0.856 55.736 54.840 0.067 0.000 0.956 625 L CB -2.410 39.681 42.059 0.053 0.000 2.022 625 L HN 1.042 nan 8.230 nan 0.000 0.897 626 H N -0.033 119.038 119.070 0.001 0.000 2.418 626 H HA 0.062 4.618 4.556 0.000 0.000 0.300 626 H C 1.479 176.807 175.328 -0.000 0.000 1.041 626 H CA 1.699 57.746 56.048 -0.002 0.000 1.364 626 H CB 0.479 30.238 29.762 -0.005 0.000 1.439 626 H HN 0.318 nan 8.280 nan 0.000 0.540 627 D N 0.205 120.617 120.400 0.019 0.000 2.369 627 D HA 0.094 4.735 4.640 0.000 0.000 0.211 627 D C -0.348 175.942 176.300 -0.016 0.000 1.077 627 D CA 0.203 54.182 54.000 -0.034 0.000 0.842 627 D CB 0.531 41.343 40.800 0.019 0.000 0.947 627 D HN 0.312 nan 8.370 nan 0.000 0.509 628 E N 0.373 120.574 120.200 0.002 0.000 2.266 628 E HA 0.276 4.627 4.350 0.000 0.000 0.268 628 E C -0.511 176.096 176.600 0.012 0.000 0.879 628 E CA -0.704 55.703 56.400 0.011 0.000 0.762 628 E CB 1.067 30.785 29.700 0.030 0.000 1.199 628 E HN -0.155 nan 8.360 nan 0.000 0.422 629 N N 1.007 119.713 118.700 0.011 0.000 2.971 629 N HA 0.118 4.859 4.740 0.000 0.000 0.294 629 N C -0.645 174.887 175.510 0.037 0.000 1.210 629 N CA 0.207 53.263 53.050 0.011 0.000 1.157 629 N CB 0.096 38.584 38.487 0.001 0.000 1.450 629 N HN 0.254 nan 8.380 nan 0.000 0.527 630 T N -2.130 112.457 114.554 0.055 0.000 4.381 630 T HA 0.026 4.376 4.350 0.000 0.000 0.309 630 T C 0.960 175.726 174.700 0.110 0.000 0.912 630 T CA -0.479 61.685 62.100 0.107 0.000 0.976 630 T CB -0.702 68.260 68.868 0.158 0.000 1.051 630 T HN 0.516 nan 8.240 nan 0.000 0.447 631 c N 2.292 120.931 118.600 0.066 0.000 2.631 631 c HA 0.071 4.642 4.570 0.000 0.000 0.283 631 c C 1.986 176.109 174.090 0.056 0.000 1.295 631 c CA 1.088 57.449 56.329 0.054 0.000 1.697 631 c CB -0.443 42.088 42.510 0.034 0.000 2.128 631 c HN 0.748 nan 8.230 nan 0.000 0.503 632 N N 0.446 119.168 118.700 0.037 0.000 2.279 632 N HA 0.049 4.789 4.740 0.000 0.000 0.226 632 N C 1.283 176.806 175.510 0.023 0.000 1.126 632 N CA -0.074 52.990 53.050 0.023 0.000 0.846 632 N CB -0.850 37.636 38.487 -0.002 0.000 1.050 632 N HN 0.658 nan 8.380 nan 0.000 0.502 633 R N -0.114 120.419 120.500 0.055 0.000 2.052 633 R HA 0.013 4.353 4.340 0.000 0.000 0.226 633 R C 1.071 177.349 176.300 -0.036 0.000 1.145 633 R CA 1.042 57.143 56.100 0.002 0.000 0.952 633 R CB -0.178 30.132 30.300 0.017 0.000 0.847 633 R HN 0.143 nan 8.270 nan 0.000 0.431 634 Y N 0.135 120.435 120.300 -0.000 0.000 2.153 634 Y HA -0.091 4.460 4.550 0.000 0.000 0.289 634 Y C 1.439 177.331 175.900 -0.014 0.000 1.127 634 Y CA 0.709 58.813 58.100 0.007 0.000 1.131 634 Y CB -0.231 38.246 38.460 0.029 0.000 0.995 634 Y HN 0.155 nan 8.280 nan 0.000 0.505 635 c N 2.833 121.522 118.600 0.148 0.000 2.573 635 c HA 0.386 4.956 4.570 0.000 0.000 0.369 635 c C 0.852 174.933 174.090 -0.015 0.000 1.205 635 c CA -0.111 56.233 56.329 0.025 0.000 1.535 635 c CB -1.740 40.768 42.510 -0.002 0.000 2.159 635 c HN 0.433 nan 8.230 nan 0.000 0.558 636 R N 3.443 123.917 120.500 -0.044 0.000 2.522 636 R HA 0.323 4.663 4.340 0.000 0.000 0.314 636 R C -0.992 175.262 176.300 -0.077 0.000 1.178 636 R CA -0.137 55.930 56.100 -0.055 0.000 1.294 636 R CB -0.400 29.875 30.300 -0.043 0.000 1.345 636 R HN 0.696 nan 8.270 nan 0.000 0.710 637 D N 0.247 120.575 120.400 -0.120 0.000 2.387 637 D HA 0.166 4.806 4.640 0.000 0.000 0.255 637 D C -0.366 175.854 176.300 -0.133 0.000 1.081 637 D CA -0.403 53.508 54.000 -0.148 0.000 0.994 637 D CB 0.910 41.544 40.800 -0.276 0.000 1.127 637 D HN 0.142 nan 8.370 nan 0.000 0.513 638 E N 0.543 120.663 120.200 -0.134 0.000 2.029 638 E HA 0.161 4.512 4.350 0.000 0.000 0.276 638 E C -0.081 176.414 176.600 -0.175 0.000 1.163 638 E CA -0.034 56.285 56.400 -0.134 0.000 0.909 638 E CB 0.297 29.919 29.700 -0.129 0.000 1.046 638 E HN 0.254 nan 8.360 nan 0.000 0.406 639 I N 3.598 124.088 120.570 -0.133 0.000 2.352 639 I HA -0.019 4.151 4.170 0.000 0.000 0.303 639 I C 0.667 176.720 176.117 -0.107 0.000 1.194 639 I CA 0.272 61.500 61.300 -0.120 0.000 1.518 639 I CB -0.338 37.612 38.000 -0.084 0.000 1.489 639 I HN 0.451 nan 8.210 nan 0.000 0.702 640 E N 4.260 124.361 120.200 -0.165 0.000 2.229 640 E HA 0.141 4.491 4.350 0.000 0.000 0.283 640 E C 0.265 176.853 176.600 -0.020 0.000 1.030 640 E CA -0.403 55.927 56.400 -0.117 0.000 0.836 640 E CB 0.906 30.471 29.700 -0.225 0.000 1.068 640 E HN 0.540 nan 8.360 nan 0.000 0.401 641 S N 3.620 119.331 115.700 0.020 0.000 3.812 641 S HA 0.181 4.652 4.470 0.000 0.000 0.195 641 S C 0.343 174.991 174.600 0.080 0.000 1.460 641 S CA -0.817 57.413 58.200 0.049 0.000 1.052 641 S CB -0.614 62.605 63.200 0.031 0.000 1.385 641 S HN 0.363 nan 8.310 nan 0.000 0.490 642 V N -0.817 119.177 119.914 0.134 0.000 3.003 642 V HA 0.531 4.651 4.120 0.000 0.000 0.305 642 V C -0.144 176.018 176.094 0.113 0.000 1.078 642 V CA -0.742 61.644 62.300 0.143 0.000 1.083 642 V CB 0.492 32.449 31.823 0.224 0.000 1.039 642 V HN 0.529 nan 8.190 nan 0.000 0.481 643 K N 2.147 122.596 120.400 0.081 0.000 2.540 643 K HA 0.443 4.763 4.320 0.000 0.000 0.218 643 K C -0.795 175.833 176.600 0.047 0.000 1.017 643 K CA -0.294 56.029 56.287 0.060 0.000 1.029 643 K CB 0.609 33.136 32.500 0.044 0.000 1.348 643 K HN 0.923 nan 8.250 nan 0.000 0.508 644 E N 1.890 122.119 120.200 0.049 0.000 2.442 644 E HA -0.224 4.127 4.350 0.000 0.000 0.177 644 E C -0.656 175.954 176.600 0.017 0.000 1.505 644 E CA 0.147 56.565 56.400 0.029 0.000 0.662 644 E CB -1.138 28.575 29.700 0.021 0.000 1.117 644 E HN 0.497 nan 8.360 nan 0.000 0.375 645 L N 1.233 122.461 121.223 0.008 0.000 2.439 645 L HA 0.232 4.573 4.340 0.000 0.000 0.261 645 L C 1.239 178.096 176.870 -0.023 0.000 1.153 645 L CA -0.379 54.454 54.840 -0.012 0.000 0.808 645 L CB 0.487 42.521 42.059 -0.042 0.000 1.126 645 L HN 0.161 nan 8.230 nan 0.000 0.460 646 K N 1.855 122.242 120.400 -0.022 0.000 2.243 646 K HA 0.074 4.394 4.320 0.000 0.000 0.232 646 K C -0.858 175.724 176.600 -0.031 0.000 1.237 646 K CA 0.333 56.608 56.287 -0.020 0.000 1.161 646 K CB -0.294 32.199 32.500 -0.013 0.000 1.505 646 K HN 0.412 nan 8.250 nan 0.000 0.271 647 D N 0.592 120.969 120.400 -0.039 0.000 3.784 647 D HA -0.055 4.585 4.640 0.000 0.000 0.261 647 D C -0.650 175.622 176.300 -0.045 0.000 1.391 647 D CA -0.265 53.707 54.000 -0.046 0.000 0.797 647 D CB 0.336 41.095 40.800 -0.068 0.000 1.391 647 D HN 0.208 nan 8.370 nan 0.000 0.734 648 T N -0.274 114.260 114.554 -0.034 0.000 3.474 648 T HA 0.510 4.860 4.350 0.000 0.000 0.270 648 T C 0.942 175.621 174.700 -0.035 0.000 1.079 648 T CA 0.185 62.265 62.100 -0.033 0.000 1.110 648 T CB 0.137 68.989 68.868 -0.027 0.000 1.087 648 T HN 0.705 nan 8.240 nan 0.000 0.784 649 G N 1.827 110.605 108.800 -0.038 0.000 2.858 649 G HA2 -0.137 3.823 3.960 0.000 0.000 0.266 649 G HA3 -0.137 3.823 3.960 0.000 0.000 0.266 649 G C -0.167 174.719 174.900 -0.024 0.000 1.023 649 G CA 0.021 45.099 45.100 -0.036 0.000 1.172 649 G HN 0.827 nan 8.290 nan 0.000 0.523 650 K N -0.045 120.347 120.400 -0.013 0.000 3.164 650 K HA 0.074 4.394 4.320 0.000 0.000 0.214 650 K C 0.116 176.729 176.600 0.021 0.000 1.957 650 K CA 0.386 56.672 56.287 -0.001 0.000 1.446 650 K CB 0.157 32.652 32.500 -0.008 0.000 2.272 650 K HN 0.185 nan 8.250 nan 0.000 0.592 651 D N 1.412 121.823 120.400 0.019 0.000 2.561 651 D HA 0.391 5.031 4.640 0.000 0.000 0.232 651 D C -0.268 176.084 176.300 0.087 0.000 1.198 651 D CA 0.275 54.300 54.000 0.041 0.000 0.826 651 D CB 1.366 42.173 40.800 0.013 0.000 0.992 651 D HN 0.405 nan 8.370 nan 0.000 0.490 652 A N -1.195 121.697 122.820 0.120 0.000 4.047 652 A HA 0.532 4.852 4.320 0.000 0.000 0.273 652 A C -1.638 176.006 177.584 0.100 0.000 1.016 652 A CA -0.565 51.596 52.037 0.206 0.000 0.565 652 A CB 0.678 19.777 19.000 0.165 0.000 1.701 652 A HN -0.047 nan 8.150 nan 0.000 0.814 653 V N 3.017 122.942 119.914 0.018 0.000 2.454 653 V HA 0.330 4.450 4.120 0.000 0.000 0.267 653 V C -0.819 175.210 176.094 -0.109 0.000 0.993 653 V CA -0.673 61.545 62.300 -0.136 0.000 0.836 653 V CB 0.811 32.429 31.823 -0.343 0.000 1.055 653 V HN 0.887 nan 8.190 nan 0.000 0.452 654 N N 3.337 121.975 118.700 -0.103 0.000 2.513 654 N HA 0.654 5.394 4.740 0.000 0.000 0.274 654 N C -0.199 175.168 175.510 -0.238 0.000 1.189 654 N CA -0.283 52.670 53.050 -0.162 0.000 0.975 654 N CB 1.932 40.355 38.487 -0.107 0.000 1.157 654 N HN 0.725 nan 8.380 nan 0.000 0.465 655 c N -2.292 116.053 118.600 -0.424 0.000 3.284 655 c HA 0.842 5.413 4.570 0.000 0.000 0.348 655 c C -0.875 172.954 174.090 -0.434 0.000 1.448 655 c CA -0.652 55.468 56.329 -0.348 0.000 1.223 655 c CB 1.126 43.487 42.510 -0.249 0.000 1.588 655 c HN 0.807 nan 8.230 nan 0.000 0.451 656 T N 0.714 115.186 114.554 -0.136 0.000 2.894 656 T HA 0.797 5.147 4.350 0.000 0.000 0.309 656 T C -1.325 173.511 174.700 0.226 0.000 1.208 656 T CA -0.254 61.878 62.100 0.053 0.000 1.016 656 T CB 1.545 70.415 68.868 0.004 0.000 1.192 656 T HN 1.391 nan 8.240 nan 0.000 0.491 657 Y N -0.511 119.864 120.300 0.124 0.000 2.677 657 Y HA 0.784 5.334 4.550 0.000 0.000 0.334 657 Y C -0.814 175.122 175.900 0.061 0.000 1.154 657 Y CA -1.513 56.643 58.100 0.092 0.000 1.070 657 Y CB 1.448 39.982 38.460 0.124 0.000 1.294 657 Y HN 0.514 nan 8.280 nan 0.000 0.475 658 K N 2.874 123.232 120.400 -0.070 0.000 2.248 658 K HA 0.232 4.552 4.320 0.000 0.000 0.281 658 K C -0.366 176.092 176.600 -0.237 0.000 1.054 658 K CA -0.657 55.523 56.287 -0.178 0.000 0.903 658 K CB 0.386 32.872 32.500 -0.023 0.000 1.077 658 K HN 0.874 nan 8.250 nan 0.000 0.474 659 N N 2.359 120.829 118.700 -0.383 0.000 2.332 659 N HA -0.100 4.640 4.740 0.000 0.000 0.282 659 N C 0.767 176.239 175.510 -0.064 0.000 1.288 659 N CA 0.101 53.010 53.050 -0.234 0.000 0.949 659 N CB 0.261 38.572 38.487 -0.293 0.000 1.108 659 N HN 0.731 nan 8.380 nan 0.000 0.542 660 E N -1.186 118.988 120.200 -0.043 0.000 2.110 660 E HA -0.173 4.177 4.350 0.000 0.000 0.193 660 E C -0.327 176.262 176.600 -0.019 0.000 0.988 660 E CA 1.264 57.659 56.400 -0.008 0.000 0.804 660 E CB -0.043 29.661 29.700 0.008 0.000 0.745 660 E HN 0.529 nan 8.360 nan 0.000 0.458 661 D N 0.885 121.255 120.400 -0.049 0.000 2.491 661 D HA 0.057 4.698 4.640 0.000 0.000 0.228 661 D C -0.823 175.450 176.300 -0.045 0.000 1.183 661 D CA 0.071 54.048 54.000 -0.038 0.000 0.827 661 D CB 0.323 41.099 40.800 -0.040 0.000 0.989 661 D HN 0.089 nan 8.370 nan 0.000 0.494 662 D N -0.163 120.207 120.400 -0.050 0.000 2.716 662 D HA -0.164 4.476 4.640 0.000 0.000 0.239 662 D C -0.540 175.720 176.300 -0.068 0.000 1.125 662 D CA 0.437 54.407 54.000 -0.049 0.000 0.681 662 D CB -1.965 38.818 40.800 -0.028 0.000 1.070 662 D HN 0.280 nan 8.370 nan 0.000 0.432 663 c N -0.758 117.778 118.600 -0.106 0.000 2.707 663 c HA 0.761 5.332 4.570 0.000 0.000 0.313 663 c C 0.781 174.769 174.090 -0.171 0.000 1.209 663 c CA -1.270 54.990 56.329 -0.115 0.000 1.635 663 c CB 1.623 44.067 42.510 -0.110 0.000 2.206 663 c HN 0.369 nan 8.230 nan 0.000 0.485 664 V N 0.570 120.404 119.914 -0.133 0.000 2.686 664 V HA 0.732 4.852 4.120 0.000 0.000 0.295 664 V C -0.388 175.612 176.094 -0.158 0.000 1.055 664 V CA -0.039 62.174 62.300 -0.145 0.000 1.050 664 V CB 0.979 32.758 31.823 -0.073 0.000 0.984 664 V HN 0.658 nan 8.190 nan 0.000 0.482 665 V N 5.319 125.124 119.914 -0.182 0.000 2.419 665 V HA 0.495 4.615 4.120 0.000 0.000 0.287 665 V C 0.143 176.358 176.094 0.202 0.000 1.017 665 V CA -0.529 61.741 62.300 -0.050 0.000 0.844 665 V CB 1.227 32.944 31.823 -0.176 0.000 1.011 665 V HN 1.029 nan 8.190 nan 0.000 0.429 666 R N 4.455 125.064 120.500 0.181 0.000 2.349 666 R HA 0.804 5.144 4.340 0.000 0.000 0.299 666 R C -0.991 175.516 176.300 0.344 0.000 1.027 666 R CA -0.228 55.974 56.100 0.171 0.000 0.958 666 R CB 1.135 31.476 30.300 0.069 0.000 1.047 666 R HN 0.690 nan 8.270 nan 0.000 0.468 667 F N -0.501 119.522 119.950 0.122 0.000 2.817 667 F HA 0.418 4.946 4.527 0.000 0.000 0.317 667 F C -1.786 174.123 175.800 0.182 0.000 1.168 667 F CA -1.077 57.019 58.000 0.159 0.000 0.911 667 F CB 1.513 40.613 39.000 0.167 0.000 1.337 667 F HN 0.431 nan 8.300 nan 0.000 0.464 668 Q N 1.618 121.661 119.800 0.405 0.000 2.378 668 Q HA 0.516 4.856 4.340 0.000 0.000 0.262 668 Q C -2.397 173.930 176.000 0.544 0.000 0.978 668 Q CA -0.788 55.198 55.803 0.304 0.000 0.918 668 Q CB 3.069 31.910 28.738 0.172 0.000 1.415 668 Q HN 1.006 nan 8.270 nan 0.000 0.409 669 Y N 3.067 123.548 120.300 0.302 0.000 2.465 669 Y HA 0.530 5.080 4.550 0.000 0.000 0.323 669 Y C -1.759 174.333 175.900 0.320 0.000 1.191 669 Y CA -0.309 57.973 58.100 0.304 0.000 1.082 669 Y CB 0.857 39.471 38.460 0.256 0.000 1.334 669 Y HN 0.758 nan 8.280 nan 0.000 0.449 670 Y N 2.644 122.863 120.300 -0.135 0.000 2.853 670 Y HA 0.389 4.939 4.550 0.000 0.000 0.119 670 Y C -1.578 174.304 175.900 -0.031 0.000 0.964 670 Y CA 0.588 58.534 58.100 -0.258 0.000 1.874 670 Y CB 0.278 38.616 38.460 -0.203 0.000 1.236 670 Y HN 0.779 nan 8.280 nan 0.000 0.212 671 E N 0.479 120.477 120.200 -0.337 0.000 2.381 671 E HA 0.254 4.604 4.350 0.000 0.000 0.286 671 E C -1.424 175.108 176.600 -0.114 0.000 0.960 671 E CA 0.043 56.202 56.400 -0.402 0.000 0.793 671 E CB 1.816 30.980 29.700 -0.894 0.000 1.225 671 E HN 0.348 nan 8.360 nan 0.000 0.420 672 D N 1.679 122.050 120.400 -0.048 0.000 2.995 672 D HA 0.229 4.869 4.640 0.000 0.000 0.289 672 D C -0.607 175.691 176.300 -0.004 0.000 1.116 672 D CA 0.377 54.380 54.000 0.005 0.000 0.994 672 D CB 0.870 41.694 40.800 0.041 0.000 1.209 672 D HN 0.167 nan 8.370 nan 0.000 0.458 673 S N -0.611 115.084 115.700 -0.008 0.000 2.721 673 S HA 0.475 4.945 4.470 0.000 0.000 0.264 673 S C -0.002 174.590 174.600 -0.012 0.000 1.161 673 S CA 0.060 58.259 58.200 -0.001 0.000 1.113 673 S CB 1.221 64.434 63.200 0.022 0.000 1.079 673 S HN 0.473 nan 8.310 nan 0.000 0.479 674 S N 2.662 118.344 115.700 -0.030 0.000 1.476 674 S HA -0.125 4.345 4.470 0.000 0.000 0.242 674 S C 0.545 175.103 174.600 -0.070 0.000 0.711 674 S CA 0.934 59.114 58.200 -0.034 0.000 1.268 674 S CB -1.697 61.500 63.200 -0.005 0.000 1.523 674 S HN 2.264 nan 8.310 nan 0.000 0.510 675 G N 1.297 110.061 108.800 -0.061 0.000 2.174 675 G HA2 0.483 4.443 3.960 0.000 0.000 0.312 675 G HA3 0.483 4.443 3.960 0.000 0.000 0.312 675 G C -1.693 173.197 174.900 -0.017 0.000 1.663 675 G CA -0.483 44.571 45.100 -0.076 0.000 0.920 675 G HN 0.448 nan 8.290 nan 0.000 0.664 676 K N 2.001 122.403 120.400 0.002 0.000 2.572 676 K HA 0.383 4.703 4.320 0.000 0.000 0.244 676 K C 0.340 177.023 176.600 0.139 0.000 0.965 676 K CA -0.738 55.589 56.287 0.067 0.000 0.943 676 K CB 1.599 34.152 32.500 0.088 0.000 1.154 676 K HN 0.741 nan 8.250 nan 0.000 0.447 677 S N 3.116 118.894 115.700 0.129 0.000 3.919 677 S HA 0.367 4.837 4.470 0.000 0.000 0.245 677 S C 0.325 174.965 174.600 0.066 0.000 1.344 677 S CA -0.547 57.757 58.200 0.174 0.000 0.896 677 S CB -0.884 62.374 63.200 0.097 0.000 1.557 677 S HN 0.453 nan 8.310 nan 0.000 0.468 678 I N 3.077 123.717 120.570 0.116 0.000 2.468 678 I HA 0.322 4.492 4.170 0.000 0.000 0.284 678 I C -0.297 175.748 176.117 -0.120 0.000 1.038 678 I CA -0.787 60.476 61.300 -0.062 0.000 1.083 678 I CB 1.607 39.566 38.000 -0.068 0.000 1.223 678 I HN 0.328 nan 8.210 nan 0.000 0.443 679 L N 5.907 126.998 121.223 -0.220 0.000 2.436 679 L HA 0.225 4.565 4.340 0.000 0.000 0.265 679 L C -0.907 175.770 176.870 -0.321 0.000 1.168 679 L CA -0.138 54.639 54.840 -0.104 0.000 0.815 679 L CB 0.368 42.356 42.059 -0.118 0.000 1.109 679 L HN 0.495 nan 8.230 nan 0.000 0.462 680 Y N 1.048 121.455 120.300 0.180 0.000 2.490 680 Y HA 0.303 4.853 4.550 0.000 0.000 0.346 680 Y C -0.291 175.715 175.900 0.176 0.000 1.023 680 Y CA -0.614 57.574 58.100 0.146 0.000 1.142 680 Y CB 0.915 39.454 38.460 0.132 0.000 1.126 680 Y HN 0.153 nan 8.280 nan 0.000 0.647 681 V N 2.356 122.411 119.914 0.235 0.000 2.607 681 V HA 0.303 4.423 4.120 0.000 0.000 0.289 681 V C 0.652 176.843 176.094 0.160 0.000 1.053 681 V CA -1.019 61.418 62.300 0.229 0.000 0.996 681 V CB 1.161 33.056 31.823 0.119 0.000 0.995 681 V HN 0.369 nan 8.190 nan 0.000 0.476 682 V N 1.562 121.567 119.914 0.152 0.000 3.319 682 V HA 0.319 4.439 4.120 0.000 0.000 0.303 682 V C 1.131 177.261 176.094 0.060 0.000 1.094 682 V CA 0.050 62.408 62.300 0.097 0.000 1.106 682 V CB 0.924 32.795 31.823 0.080 0.000 1.099 682 V HN 0.935 nan 8.190 nan 0.000 0.476 683 E N 0.818 121.043 120.200 0.042 0.000 2.038 683 E HA -0.002 4.348 4.350 0.000 0.000 0.190 683 E C 0.769 177.373 176.600 0.007 0.000 0.967 683 E CA 0.804 57.218 56.400 0.024 0.000 0.816 683 E CB 0.220 29.935 29.700 0.025 0.000 0.784 683 E HN 0.920 nan 8.360 nan 0.000 0.456 684 E N 1.806 122.009 120.200 0.005 0.000 2.175 684 E HA 0.267 4.618 4.350 0.000 0.000 0.278 684 E C -2.234 174.355 176.600 -0.018 0.000 0.969 684 E CA -2.194 54.200 56.400 -0.009 0.000 0.796 684 E CB 1.355 31.052 29.700 -0.004 0.000 1.104 684 E HN 0.068 nan 8.360 nan 0.000 0.395 685 P HA 0.213 nan 4.420 nan 0.000 0.278 685 P C -1.199 176.074 177.300 -0.045 0.000 1.258 685 P CA -0.380 62.687 63.100 -0.054 0.000 0.811 685 P CB 0.864 32.510 31.700 -0.090 0.000 1.063 686 E N 0.061 120.231 120.200 -0.049 0.000 2.182 686 E HA 0.374 4.724 4.350 0.000 0.000 0.258 686 E C -0.640 175.933 176.600 -0.046 0.000 0.879 686 E CA -0.568 55.809 56.400 -0.039 0.000 0.754 686 E CB 0.925 30.608 29.700 -0.029 0.000 1.162 686 E HN 0.390 nan 8.360 nan 0.000 0.419 687 c N 1.421 119.997 118.600 -0.041 0.000 2.380 687 c HA 0.612 5.182 4.570 0.000 0.000 0.393 687 c C 0.320 174.392 174.090 -0.030 0.000 1.284 687 c CA -0.616 55.688 56.329 -0.041 0.000 2.033 687 c CB 1.005 43.492 42.510 -0.039 0.000 2.165 687 c HN 0.794 nan 8.230 nan 0.000 0.540 688 C N 0.091 119.375 119.300 -0.027 0.000 2.712 688 C HA 0.433 4.893 4.460 0.000 0.000 0.308 688 C C 1.178 176.159 174.990 -0.015 0.000 1.201 688 C CA -0.560 58.447 59.018 -0.019 0.000 1.554 688 C CB 1.107 28.836 27.740 -0.019 0.000 2.117 688 C HN 0.987 nan 8.230 nan 0.000 0.480 689 K N 1.772 122.165 120.400 -0.011 0.000 2.186 689 K HA 0.322 4.643 4.320 0.000 0.000 0.202 689 K C 0.902 177.497 176.600 -0.007 0.000 1.052 689 K CA 0.964 57.245 56.287 -0.009 0.000 0.965 689 K CB 0.182 32.678 32.500 -0.007 0.000 0.746 689 K HN 0.843 nan 8.250 nan 0.000 0.457 690 G N 0.000 108.796 108.800 -0.007 0.000 5.446 690 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 690 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 690 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 690 G HN 0.000 nan 8.290 nan 0.000 0.925