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 3nkn_1_A DATA FIRST_RESID 51 DATA SEQUENCE WTNTSGScKG RcFELQEVGP PDcRcDNLcK SYSSccHDFD ELcLKTARGW DATA SEQUENCE EcTKDRcGEV RNEENAcHcS EDcLSRGDcc TNYQVVcKGE SHWVDDDcEE DATA SEQUENCE IRVPEcPAGF VRPPLIIFSV DGFRASYMKK GSKVMPNIEK LRScGTHAPY DATA SEQUENCE MRPVYPTKTF PNLYTLATGL YPESHGIVGN SMYDPVFDAT FHLRGREKFN DATA SEQUENCE HRWWGGQPLW ITATKQGVRA GTFFWSVSIP HERRILTILQ WLSLPDNERP DATA SEQUENCE SVYAFYSEQP DFSGHKYGPF GPEMTNPLRE IDKTVGQLMD GLKQLKLHRc DATA SEQUENCE VNVIFVGDHG MEDVTcDRTE FLSNYLTNVD DITLVPGTLG RIRPKIPNNL DATA SEQUENCE KYDPKAIIAN LTcKKPDQHF KPYMKQHLPK RLHYANNRRI EDLHLLVERR DATA SEQUENCE WHVARKPLXX XXXXXXXcFF QGDHGFDNKV NSMQTVFVGY GPTFKYRTKV DATA SEQUENCE PPFENIELYN VMCDLLGLKP APNNGTHGSL NHLLRTNTFR PTLPEEVSRP DATA SEQUENCE NYPGIMYLQS DFDLGcTcDD KXXXXXXXXX XXXXXSTEER HLLYGRPAVL DATA SEQUENCE YRTSYDILYH TDFESGYSEI FLMPLWTSYT ISKQAEVSSI PEHLTNcVRP DATA SEQUENCE DVRVSPGFSQ NcLAYKNDKQ MSYGFLFPPY LSSSPEAKYD AFLVTNMVPM DATA SEQUENCE YPAFKRVWTY FQRVLVKKYA SERNGVNVIS GPIFDYNYNG LRDIEDEIKQ DATA SEQUENCE YVEGSSIPVP THYYSIITSc LDFTQPADKc DGPLSVSSFI LPHRPDNDES DATA SEQUENCE cNSSEDESKW VEELMKMHTA RVRDIEHLTG LDFYRKTSRS YSEILTLKTY DATA SEQUENCE LHTYE 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 51 W HA 0.000 nan 4.660 nan 0.000 0.303 51 W C 0.000 176.506 176.519 -0.022 0.000 1.175 51 W CA 0.000 57.335 57.345 -0.017 0.000 1.226 51 W CB 0.000 29.452 29.460 -0.013 0.000 1.126 52 T N 5.015 119.073 114.554 -0.826 0.000 2.794 52 T HA 0.195 4.546 4.350 0.003 0.000 0.280 52 T C -0.552 173.281 174.700 -1.446 0.000 0.987 52 T CA -0.509 61.066 62.100 -0.875 0.000 0.993 52 T CB 0.798 69.399 68.868 -0.446 0.000 0.939 52 T HN 0.340 nan 8.240 nan 0.000 0.449 53 N N 2.401 120.386 118.700 -1.191 0.000 2.663 53 N HA 0.075 4.817 4.740 0.003 0.000 0.250 53 N C 1.030 176.323 175.510 -0.362 0.000 1.129 53 N CA -0.018 52.491 53.050 -0.901 0.000 0.995 53 N CB 0.420 38.619 38.487 -0.479 0.000 1.324 53 N HN 0.460 nan 8.380 nan 0.000 0.512 54 T N 0.461 114.860 114.554 -0.258 0.000 3.098 54 T HA -0.050 4.301 4.350 0.003 0.000 0.266 54 T C 1.537 176.282 174.700 0.074 0.000 1.145 54 T CA 0.775 62.830 62.100 -0.074 0.000 1.092 54 T CB 0.084 68.935 68.868 -0.028 0.000 0.908 54 T HN 0.391 nan 8.240 nan 0.000 0.526 55 S N 0.628 116.355 115.700 0.046 0.000 2.447 55 S HA 0.116 4.587 4.470 0.003 0.000 0.233 55 S C 1.628 176.329 174.600 0.169 0.000 1.006 55 S CA 0.153 58.395 58.200 0.070 0.000 0.957 55 S CB -0.334 62.888 63.200 0.037 0.000 0.773 55 S HN 0.676 nan 8.310 nan 0.000 0.507 56 G N 1.021 109.890 108.800 0.115 0.000 2.744 56 G HA2 0.340 4.301 3.960 0.003 0.000 0.257 56 G HA3 0.340 4.301 3.960 0.003 0.000 0.257 56 G C -0.281 174.699 174.900 0.133 0.000 1.244 56 G CA -0.193 44.965 45.100 0.096 0.000 0.916 56 G HN 0.329 nan 8.290 nan 0.000 0.564 57 S N -2.355 113.372 115.700 0.044 0.000 2.542 57 S HA 0.283 4.754 4.470 0.003 0.000 0.293 57 S C 0.314 174.885 174.600 -0.050 0.000 1.089 57 S CA -0.780 57.391 58.200 -0.049 0.000 0.961 57 S CB 1.379 64.586 63.200 0.012 0.000 1.062 57 S HN 0.597 nan 8.310 nan 0.000 0.483 58 c N 3.428 121.982 118.600 -0.077 0.000 2.524 58 c HA 0.426 4.997 4.570 0.003 0.000 0.301 58 c C 1.384 175.467 174.090 -0.012 0.000 1.296 58 c CA -0.027 56.290 56.329 -0.019 0.000 1.683 58 c CB -2.197 40.329 42.510 0.027 0.000 1.764 58 c HN 0.906 nan 8.230 nan 0.000 0.597 59 K N 0.377 120.767 120.400 -0.016 0.000 2.472 59 K HA 0.390 4.711 4.320 0.003 0.000 0.280 59 K C 1.289 177.899 176.600 0.018 0.000 1.028 59 K CA 0.658 56.946 56.287 0.001 0.000 1.045 59 K CB -0.740 31.764 32.500 0.006 0.000 0.902 59 K HN 1.249 nan 8.250 nan 0.000 0.478 60 G N 1.623 110.440 108.800 0.028 0.000 2.233 60 G HA2 -0.291 3.671 3.960 0.003 0.000 0.270 60 G HA3 -0.291 3.671 3.960 0.003 0.000 0.270 60 G C 0.905 175.840 174.900 0.058 0.000 1.011 60 G CA 0.766 45.892 45.100 0.043 0.000 0.762 60 G HN 0.759 nan 8.290 nan 0.000 0.511 61 R N -1.425 119.110 120.500 0.058 0.000 2.509 61 R HA 0.163 4.505 4.340 0.003 0.000 0.297 61 R C 0.884 177.246 176.300 0.103 0.000 0.951 61 R CA 0.080 56.222 56.100 0.070 0.000 1.103 61 R CB 0.297 30.620 30.300 0.038 0.000 1.283 61 R HN 0.396 nan 8.270 nan 0.000 0.534 62 c N 2.254 120.919 118.600 0.110 0.000 2.590 62 c HA 0.007 4.578 4.570 0.003 0.000 0.411 62 c C 0.952 175.224 174.090 0.303 0.000 1.420 62 c CA 0.297 56.695 56.329 0.116 0.000 1.643 62 c CB -1.746 40.839 42.510 0.125 0.000 2.528 62 c HN 0.597 nan 8.230 nan 0.000 0.606 63 F N 0.748 120.881 119.950 0.304 0.000 3.048 63 F HA -0.210 4.319 4.527 0.003 0.000 0.269 63 F C 1.203 177.280 175.800 0.461 0.000 0.960 63 F CA 1.189 59.430 58.000 0.401 0.000 0.909 63 F CB -1.492 37.727 39.000 0.364 0.000 0.837 63 F HN 0.798 nan 8.300 nan 0.000 0.768 64 E N 0.479 120.886 120.200 0.344 0.000 2.418 64 E HA 0.148 4.499 4.350 0.003 0.000 0.261 64 E C 0.558 177.248 176.600 0.150 0.000 1.070 64 E CA -0.302 56.235 56.400 0.228 0.000 0.931 64 E CB 0.744 30.509 29.700 0.108 0.000 0.954 64 E HN 0.583 nan 8.360 nan 0.000 0.439 65 L N 0.770 122.010 121.223 0.028 0.000 2.513 65 L HA 0.008 4.349 4.340 0.003 0.000 0.222 65 L C 0.805 177.615 176.870 -0.100 0.000 1.096 65 L CA -0.107 54.660 54.840 -0.121 0.000 0.857 65 L CB -0.186 41.702 42.059 -0.285 0.000 1.026 65 L HN 0.572 nan 8.230 nan 0.000 0.469 66 Q N 0.903 120.669 119.800 -0.057 0.000 2.361 66 Q HA 0.327 4.669 4.340 0.003 0.000 0.276 66 Q C 0.248 176.208 176.000 -0.067 0.000 1.022 66 Q CA 0.158 55.927 55.803 -0.058 0.000 0.898 66 Q CB 0.005 28.721 28.738 -0.037 0.000 1.246 66 Q HN 0.235 nan 8.270 nan 0.000 0.410 67 E N 1.727 121.882 120.200 -0.074 0.000 2.360 67 E HA 0.442 4.793 4.350 0.003 0.000 0.269 67 E C -0.846 175.702 176.600 -0.086 0.000 1.022 67 E CA -0.548 55.799 56.400 -0.087 0.000 0.887 67 E CB 1.121 30.773 29.700 -0.081 0.000 0.990 67 E HN 0.443 nan 8.360 nan 0.000 0.426 68 V N 2.590 122.439 119.914 -0.109 0.000 2.532 68 V HA 0.670 4.792 4.120 0.003 0.000 0.294 68 V C 0.565 176.576 176.094 -0.139 0.000 1.036 68 V CA -0.296 61.939 62.300 -0.108 0.000 0.876 68 V CB 1.745 33.508 31.823 -0.101 0.000 1.012 68 V HN 1.020 nan 8.190 nan 0.000 0.432 69 G N 4.764 113.490 108.800 -0.123 0.000 2.491 69 G HA2 0.744 4.706 3.960 0.003 0.000 0.327 69 G HA3 0.744 4.706 3.960 0.003 0.000 0.327 69 G C -2.918 171.908 174.900 -0.123 0.000 1.189 69 G CA -1.862 43.156 45.100 -0.137 0.000 0.956 69 G HN 0.500 nan 8.290 nan 0.000 0.491 70 P HA 0.071 nan 4.420 nan 0.000 0.267 70 P C -1.585 175.676 177.300 -0.065 0.000 1.195 70 P CA -0.620 62.412 63.100 -0.113 0.000 0.773 70 P CB 0.603 32.255 31.700 -0.080 0.000 0.837 71 P HA 0.043 nan 4.420 nan 0.000 0.240 71 P C -0.584 176.594 177.300 -0.204 0.000 1.190 71 P CA 0.492 63.531 63.100 -0.103 0.000 0.781 71 P CB 0.134 31.853 31.700 0.032 0.000 0.931 72 D N 0.999 121.317 120.400 -0.137 0.000 2.443 72 D HA 0.067 4.708 4.640 0.003 0.000 0.239 72 D C 0.823 177.016 176.300 -0.179 0.000 1.136 72 D CA 0.034 53.952 54.000 -0.137 0.000 0.879 72 D CB 0.163 40.908 40.800 -0.091 0.000 1.195 72 D HN 0.280 nan 8.370 nan 0.000 0.443 73 c N 1.455 119.951 118.600 -0.174 0.000 2.422 73 c HA 0.699 5.270 4.570 0.003 0.000 0.364 73 c C 0.309 174.308 174.090 -0.152 0.000 1.251 73 c CA -1.032 55.188 56.329 -0.181 0.000 2.441 73 c CB 0.312 42.726 42.510 -0.160 0.000 2.393 73 c HN 0.539 nan 8.230 nan 0.000 0.606 74 R N 0.632 121.022 120.500 -0.182 0.000 2.828 74 R HA 0.643 4.985 4.340 0.003 0.000 0.264 74 R C -0.416 175.757 176.300 -0.212 0.000 1.022 74 R CA -0.658 55.329 56.100 -0.188 0.000 1.021 74 R CB 1.187 31.352 30.300 -0.225 0.000 1.163 74 R HN 0.864 nan 8.270 nan 0.000 0.494 75 c N -0.219 118.281 118.600 -0.167 0.000 3.626 75 c HA 0.128 4.699 4.570 0.003 0.000 0.276 75 c C 0.021 174.030 174.090 -0.134 0.000 1.694 75 c CA -0.786 55.484 56.329 -0.099 0.000 1.785 75 c CB -0.888 41.651 42.510 0.049 0.000 3.152 75 c HN 0.841 nan 8.230 nan 0.000 0.571 76 D N 1.112 121.408 120.400 -0.174 0.000 2.398 76 D HA -0.008 4.633 4.640 0.003 0.000 0.247 76 D C 0.818 177.071 176.300 -0.079 0.000 1.227 76 D CA -0.087 53.884 54.000 -0.049 0.000 0.980 76 D CB 0.668 41.443 40.800 -0.043 0.000 1.106 76 D HN 0.223 nan 8.370 nan 0.000 0.493 77 N N 0.009 118.849 118.700 0.233 0.000 2.272 77 N HA -0.185 4.556 4.740 0.003 0.000 0.185 77 N C 1.335 176.919 175.510 0.123 0.000 1.014 77 N CA 1.071 54.346 53.050 0.375 0.000 0.870 77 N CB -0.165 38.504 38.487 0.303 0.000 0.975 77 N HN 0.462 nan 8.380 nan 0.000 0.433 78 L N 0.450 121.673 121.223 0.002 0.000 2.628 78 L HA 0.142 4.484 4.340 0.003 0.000 0.229 78 L C 1.778 178.640 176.870 -0.013 0.000 1.137 78 L CA -0.226 54.628 54.840 0.024 0.000 0.909 78 L CB -0.350 41.764 42.059 0.092 0.000 1.137 78 L HN 0.543 nan 8.230 nan 0.000 0.470 79 c N -1.383 117.091 118.600 -0.209 0.000 2.425 79 c HA -0.116 4.456 4.570 0.003 0.000 0.277 79 c C 2.436 176.390 174.090 -0.226 0.000 1.280 79 c CA 0.164 56.331 56.329 -0.270 0.000 1.744 79 c CB -0.777 41.425 42.510 -0.514 0.000 1.989 79 c HN 0.415 nan 8.230 nan 0.000 0.491 80 K N 1.815 122.057 120.400 -0.263 0.000 2.147 80 K HA -0.087 4.235 4.320 0.003 0.000 0.205 80 K C 2.206 178.726 176.600 -0.135 0.000 1.049 80 K CA 1.812 58.005 56.287 -0.155 0.000 0.936 80 K CB -0.288 32.186 32.500 -0.043 0.000 0.722 80 K HN 0.606 nan 8.250 nan 0.000 0.446 81 S N 0.094 115.689 115.700 -0.176 0.000 2.489 81 S HA -0.041 4.430 4.470 0.003 0.000 0.228 81 S C 1.069 175.261 174.600 -0.681 0.000 0.995 81 S CA 0.656 58.624 58.200 -0.386 0.000 0.934 81 S CB -0.079 62.861 63.200 -0.433 0.000 0.771 81 S HN 0.318 nan 8.310 nan 0.000 0.522 82 Y N 1.948 122.031 120.300 -0.363 0.000 2.467 82 Y HA 0.181 4.732 4.550 0.002 0.000 0.250 82 Y C 1.046 176.810 175.900 -0.227 0.000 1.155 82 Y CA -0.202 57.701 58.100 -0.329 0.000 1.249 82 Y CB -0.123 38.156 38.460 -0.302 0.000 1.146 82 Y HN 0.265 nan 8.280 nan 0.000 0.524 83 S N 0.155 115.797 115.700 -0.096 0.000 3.405 83 S HA -0.234 4.237 4.470 0.003 0.000 0.373 83 S C 0.464 175.007 174.600 -0.094 0.000 0.939 83 S CA 0.657 58.806 58.200 -0.085 0.000 1.295 83 S CB -2.075 61.087 63.200 -0.064 0.000 0.919 83 S HN 0.648 nan 8.310 nan 0.000 0.535 84 S N -3.011 112.613 115.700 -0.127 0.000 2.993 84 S HA 0.389 4.861 4.470 0.003 0.000 0.257 84 S C 0.557 175.034 174.600 -0.204 0.000 0.997 84 S CA 0.086 58.185 58.200 -0.168 0.000 1.191 84 S CB -0.521 62.580 63.200 -0.164 0.000 1.143 84 S HN 0.796 nan 8.310 nan 0.000 0.655 85 c N 2.528 120.995 118.600 -0.222 0.000 2.676 85 c HA 0.442 5.014 4.570 0.003 0.000 0.416 85 c C 1.574 175.585 174.090 -0.131 0.000 1.299 85 c CA -0.646 55.523 56.329 -0.267 0.000 2.048 85 c CB -0.840 41.467 42.510 -0.337 0.000 2.713 85 c HN 0.679 nan 8.230 nan 0.000 0.624 86 c N 3.393 121.936 118.600 -0.094 0.000 2.705 86 c HA 0.073 4.645 4.570 0.003 0.000 0.382 86 c C 2.196 176.274 174.090 -0.021 0.000 1.322 86 c CA -0.271 56.029 56.329 -0.048 0.000 2.290 86 c CB -0.131 42.334 42.510 -0.076 0.000 2.650 86 c HN 1.031 nan 8.230 nan 0.000 0.695 87 H N 1.012 120.093 119.070 0.017 0.000 2.521 87 H HA -0.061 4.496 4.556 0.003 0.000 0.286 87 H C 0.424 175.783 175.328 0.053 0.000 1.034 87 H CA 1.671 57.737 56.048 0.031 0.000 1.278 87 H CB -0.372 29.402 29.762 0.021 0.000 1.386 87 H HN 0.813 nan 8.280 nan 0.000 0.567 88 D N -0.610 119.489 120.400 -0.501 0.000 2.538 88 D HA -0.026 4.616 4.640 0.003 0.000 0.231 88 D C 1.406 177.636 176.300 -0.116 0.000 1.229 88 D CA -0.729 53.095 54.000 -0.293 0.000 0.828 88 D CB -1.041 39.507 40.800 -0.420 0.000 1.035 88 D HN 0.210 nan 8.370 nan 0.000 0.495 89 F N 2.146 121.995 119.950 -0.169 0.000 2.031 89 F HA -0.166 4.362 4.527 0.002 0.000 0.295 89 F C 1.591 177.345 175.800 -0.077 0.000 1.133 89 F CA 1.732 59.654 58.000 -0.131 0.000 1.188 89 F CB -0.093 38.831 39.000 -0.127 0.000 0.974 89 F HN -0.151 nan 8.300 nan 0.000 0.473 90 D N -0.057 120.300 120.400 -0.072 0.000 2.158 90 D HA -0.254 4.387 4.640 0.003 0.000 0.197 90 D C 2.124 178.328 176.300 -0.159 0.000 0.995 90 D CA 1.731 55.645 54.000 -0.143 0.000 0.846 90 D CB -0.404 40.421 40.800 0.043 0.000 0.941 90 D HN 0.579 nan 8.370 nan 0.000 0.456 91 E N 0.615 120.754 120.200 -0.102 0.000 2.047 91 E HA -0.124 4.228 4.350 0.003 0.000 0.191 91 E C 2.363 178.902 176.600 -0.103 0.000 0.987 91 E CA 0.517 56.871 56.400 -0.077 0.000 0.799 91 E CB 0.076 29.752 29.700 -0.040 0.000 0.752 91 E HN 0.231 nan 8.360 nan 0.000 0.449 92 L N -0.169 120.970 121.223 -0.140 0.000 2.202 92 L HA -0.028 4.313 4.340 0.003 0.000 0.205 92 L C 2.298 179.082 176.870 -0.143 0.000 1.083 92 L CA 0.425 55.196 54.840 -0.115 0.000 0.790 92 L CB 0.165 42.167 42.059 -0.095 0.000 0.942 92 L HN 0.343 nan 8.230 nan 0.000 0.452 93 c N -0.857 117.555 118.600 -0.314 0.000 2.865 93 c HA 0.245 4.817 4.570 0.003 0.000 0.280 93 c C 1.441 175.425 174.090 -0.175 0.000 1.255 93 c CA -0.381 55.751 56.329 -0.328 0.000 1.705 93 c CB -0.149 41.862 42.510 -0.832 0.000 2.080 93 c HN 0.287 nan 8.230 nan 0.000 0.591 94 L N 1.519 122.607 121.223 -0.225 0.000 2.999 94 L HA 0.229 4.571 4.340 0.003 0.000 0.263 94 L C -0.157 176.709 176.870 -0.007 0.000 1.320 94 L CA 0.139 54.948 54.840 -0.051 0.000 0.913 94 L CB -0.277 41.733 42.059 -0.082 0.000 1.296 94 L HN 0.246 nan 8.230 nan 0.000 0.546 95 K N 0.311 120.704 120.400 -0.012 0.000 2.295 95 K HA 0.231 4.553 4.320 0.003 0.000 0.270 95 K C 0.966 177.498 176.600 -0.113 0.000 1.011 95 K CA 0.149 56.399 56.287 -0.061 0.000 0.953 95 K CB 1.230 33.684 32.500 -0.076 0.000 0.956 95 K HN 0.208 nan 8.250 nan 0.000 0.477 96 T N -2.789 111.647 114.554 -0.197 0.000 2.986 96 T HA 0.158 4.509 4.350 0.003 0.000 0.264 96 T C 0.690 175.125 174.700 -0.442 0.000 0.964 96 T CA -0.366 61.512 62.100 -0.370 0.000 0.895 96 T CB 0.352 69.114 68.868 -0.176 0.000 1.163 96 T HN 0.553 nan 8.240 nan 0.000 0.517 97 A N 2.643 125.287 122.820 -0.293 0.000 2.572 97 A HA 0.307 4.629 4.320 0.003 0.000 0.256 97 A C 1.107 178.511 177.584 -0.300 0.000 1.041 97 A CA 0.465 52.356 52.037 -0.243 0.000 0.790 97 A CB -0.690 18.210 19.000 -0.167 0.000 0.947 97 A HN 0.603 nan 8.150 nan 0.000 0.518 98 R N 0.977 121.323 120.500 -0.257 0.000 3.892 98 R HA -0.203 4.138 4.340 0.003 0.000 0.441 98 R C 1.026 177.137 176.300 -0.315 0.000 1.052 98 R CA 1.051 57.012 56.100 -0.231 0.000 1.190 98 R CB -2.508 27.683 30.300 -0.182 0.000 1.808 98 R HN 2.775 nan 8.270 nan 0.000 0.538 99 G N -0.406 108.082 108.800 -0.520 0.000 2.598 99 G HA2 -0.307 3.655 3.960 0.003 0.000 0.244 99 G HA3 -0.307 3.655 3.960 0.003 0.000 0.244 99 G C -0.004 174.431 174.900 -0.776 0.000 1.302 99 G CA 0.304 44.963 45.100 -0.736 0.000 0.903 99 G HN 0.284 nan 8.290 nan 0.000 0.575 100 W N 0.747 122.018 121.300 -0.048 0.000 3.005 100 W HA 0.546 5.207 4.660 0.002 0.000 0.374 100 W C 0.834 177.333 176.519 -0.033 0.000 1.076 100 W CA -0.031 57.284 57.345 -0.051 0.000 1.794 100 W CB 0.711 30.142 29.460 -0.048 0.000 1.113 100 W HN 0.512 nan 8.180 nan 0.000 0.584 101 E N 0.166 120.428 120.200 0.104 0.000 2.248 101 E HA 0.317 4.668 4.350 0.003 0.000 0.267 101 E C -0.830 175.799 176.600 0.048 0.000 0.877 101 E CA -0.842 55.611 56.400 0.089 0.000 0.759 101 E CB 1.840 31.593 29.700 0.088 0.000 1.182 101 E HN -0.225 nan 8.360 nan 0.000 0.418 102 c N 2.474 121.118 118.600 0.073 0.000 2.662 102 c HA 0.297 4.869 4.570 0.003 0.000 0.420 102 c C 0.795 174.914 174.090 0.050 0.000 1.314 102 c CA -0.142 56.232 56.329 0.076 0.000 1.963 102 c CB -0.721 41.878 42.510 0.147 0.000 2.686 102 c HN 0.694 nan 8.230 nan 0.000 0.609 103 T N -0.474 114.101 114.554 0.035 0.000 2.908 103 T HA 0.595 4.946 4.350 0.003 0.000 0.290 103 T C 0.793 175.505 174.700 0.020 0.000 1.034 103 T CA -0.167 61.946 62.100 0.021 0.000 1.010 103 T CB 1.587 70.460 68.868 0.009 0.000 1.068 103 T HN 0.726 nan 8.240 nan 0.000 0.481 104 K N 1.147 121.552 120.400 0.009 0.000 2.127 104 K HA -0.203 4.118 4.320 0.003 0.000 0.208 104 K C 1.622 178.229 176.600 0.012 0.000 1.047 104 K CA 2.447 58.736 56.287 0.004 0.000 0.927 104 K CB -1.644 30.854 32.500 -0.004 0.000 0.716 104 K HN 0.963 nan 8.250 nan 0.000 0.450 105 D N -0.857 119.549 120.400 0.009 0.000 2.371 105 D HA -0.142 4.499 4.640 0.003 0.000 0.221 105 D C 1.553 177.863 176.300 0.016 0.000 0.986 105 D CA 0.551 54.556 54.000 0.009 0.000 0.899 105 D CB -0.084 40.718 40.800 0.002 0.000 0.902 105 D HN 0.567 nan 8.370 nan 0.000 0.530 106 R N -0.364 120.152 120.500 0.027 0.000 2.308 106 R HA 0.165 4.506 4.340 0.003 0.000 0.202 106 R C 0.602 176.944 176.300 0.069 0.000 0.898 106 R CA -0.227 55.896 56.100 0.038 0.000 1.046 106 R CB 0.322 30.643 30.300 0.035 0.000 1.026 106 R HN 0.099 nan 8.270 nan 0.000 0.512 107 c N 1.842 120.488 118.600 0.076 0.000 2.596 107 c HA 0.156 4.728 4.570 0.003 0.000 0.414 107 c C 1.683 175.832 174.090 0.098 0.000 1.396 107 c CA 0.777 57.174 56.329 0.113 0.000 1.698 107 c CB -0.353 42.192 42.510 0.059 0.000 2.572 107 c HN 0.881 nan 8.230 nan 0.000 0.604 108 G N 3.192 112.076 108.800 0.140 0.000 2.225 108 G HA2 -0.233 3.729 3.960 0.003 0.000 0.267 108 G HA3 -0.233 3.729 3.960 0.003 0.000 0.267 108 G C 0.100 175.033 174.900 0.055 0.000 1.024 108 G CA 0.698 45.854 45.100 0.093 0.000 0.784 108 G HN 0.964 nan 8.290 nan 0.000 0.507 109 E N -0.984 119.248 120.200 0.053 0.000 2.428 109 E HA 0.423 4.774 4.350 0.003 0.000 0.257 109 E C 0.266 176.878 176.600 0.021 0.000 1.197 109 E CA -0.633 55.786 56.400 0.033 0.000 0.974 109 E CB 0.907 30.627 29.700 0.033 0.000 0.976 109 E HN 0.164 nan 8.360 nan 0.000 0.463 110 V N 1.208 121.130 119.914 0.014 0.000 2.607 110 V HA 0.117 4.238 4.120 0.003 0.000 0.289 110 V C 0.695 176.793 176.094 0.007 0.000 1.053 110 V CA -0.428 61.875 62.300 0.004 0.000 0.996 110 V CB 1.106 32.930 31.823 0.001 0.000 0.995 110 V HN 0.626 nan 8.190 nan 0.000 0.476 111 R N 3.778 124.270 120.500 -0.013 0.000 2.446 111 R HA 0.025 4.366 4.340 0.003 0.000 0.325 111 R C -0.055 176.251 176.300 0.009 0.000 0.997 111 R CA 0.074 56.161 56.100 -0.022 0.000 1.010 111 R CB -0.108 30.127 30.300 -0.109 0.000 0.946 111 R HN 0.715 nan 8.270 nan 0.000 0.422 112 N N 3.340 122.084 118.700 0.073 0.000 2.501 112 N HA 0.023 4.764 4.740 0.003 0.000 0.245 112 N C -0.095 175.499 175.510 0.140 0.000 0.974 112 N CA -0.356 52.734 53.050 0.066 0.000 0.941 112 N CB 1.289 39.798 38.487 0.036 0.000 1.122 112 N HN 0.515 nan 8.380 nan 0.000 0.507 113 E N 1.710 121.968 120.200 0.096 0.000 2.510 113 E HA -0.154 4.198 4.350 0.003 0.000 0.202 113 E C 0.315 176.972 176.600 0.095 0.000 1.072 113 E CA 0.506 56.986 56.400 0.134 0.000 0.883 113 E CB 0.339 30.066 29.700 0.046 0.000 0.818 113 E HN 0.641 nan 8.360 nan 0.000 0.548 114 E N 0.558 120.784 120.200 0.043 0.000 2.371 114 E HA -0.004 4.348 4.350 0.003 0.000 0.194 114 E C 0.138 176.698 176.600 -0.067 0.000 1.012 114 E CA 0.041 56.433 56.400 -0.013 0.000 0.860 114 E CB 0.169 29.855 29.700 -0.023 0.000 0.811 114 E HN 0.062 nan 8.360 nan 0.000 0.502 115 N N -0.054 118.595 118.700 -0.086 0.000 2.508 115 N HA 0.070 4.812 4.740 0.003 0.000 0.264 115 N C 0.603 175.917 175.510 -0.327 0.000 1.216 115 N CA 0.629 53.544 53.050 -0.224 0.000 0.943 115 N CB 1.362 39.695 38.487 -0.257 0.000 1.113 115 N HN 0.104 nan 8.380 nan 0.000 0.447 116 A N 1.218 123.816 122.820 -0.371 0.000 1.883 116 A HA -0.099 4.223 4.320 0.003 0.000 0.217 116 A C 0.924 178.334 177.584 -0.290 0.000 1.186 116 A CA 1.434 53.245 52.037 -0.376 0.000 0.624 116 A CB -0.555 17.984 19.000 -0.769 0.000 0.822 116 A HN 0.829 nan 8.150 nan 0.000 0.444 117 c N -4.432 113.935 118.600 -0.388 0.000 3.285 117 c HA 0.829 5.400 4.570 0.003 0.000 0.320 117 c C -0.589 173.168 174.090 -0.555 0.000 1.411 117 c CA -1.291 54.811 56.329 -0.379 0.000 1.429 117 c CB 0.798 43.269 42.510 -0.065 0.000 1.812 117 c HN 0.511 nan 8.230 nan 0.000 0.454 118 H N -1.256 117.773 119.070 -0.069 0.000 2.679 118 H HA 0.558 5.115 4.556 0.002 0.000 0.367 118 H C -0.622 174.601 175.328 -0.176 0.000 1.162 118 H CA -0.430 55.552 56.048 -0.110 0.000 1.181 118 H CB 1.789 31.479 29.762 -0.121 0.000 1.693 118 H HN 0.879 nan 8.280 nan 0.000 0.538 119 c N 0.980 119.561 118.600 -0.031 0.000 3.365 119 c HA 0.140 4.712 4.570 0.003 0.000 0.266 119 c C 1.073 175.135 174.090 -0.047 0.000 1.631 119 c CA -0.529 55.764 56.329 -0.061 0.000 1.789 119 c CB -1.166 41.425 42.510 0.135 0.000 3.088 119 c HN 0.742 nan 8.230 nan 0.000 0.547 120 S N 0.473 116.113 115.700 -0.100 0.000 2.632 120 S HA 0.333 4.804 4.470 0.003 0.000 0.267 120 S C 0.752 175.292 174.600 -0.100 0.000 1.276 120 S CA 0.032 58.201 58.200 -0.053 0.000 0.998 120 S CB 1.295 64.466 63.200 -0.048 0.000 0.953 120 S HN 0.326 nan 8.310 nan 0.000 0.547 121 E N 0.831 121.029 120.200 -0.004 0.000 2.204 121 E HA -0.174 4.177 4.350 0.003 0.000 0.195 121 E C 1.066 177.659 176.600 -0.012 0.000 0.990 121 E CA 1.727 58.149 56.400 0.038 0.000 0.821 121 E CB -0.297 29.433 29.700 0.051 0.000 0.750 121 E HN 0.845 nan 8.360 nan 0.000 0.477 122 D N -1.011 119.355 120.400 -0.056 0.000 2.349 122 D HA -0.097 4.545 4.640 0.003 0.000 0.215 122 D C 1.877 178.120 176.300 -0.095 0.000 1.016 122 D CA 0.710 54.674 54.000 -0.060 0.000 0.870 122 D CB -1.077 39.684 40.800 -0.065 0.000 0.917 122 D HN 0.407 nan 8.370 nan 0.000 0.524 123 c N -0.738 117.761 118.600 -0.167 0.000 2.422 123 c HA 0.010 4.581 4.570 0.003 0.000 0.279 123 c C 2.368 176.388 174.090 -0.117 0.000 1.305 123 c CA -0.081 56.134 56.329 -0.189 0.000 1.757 123 c CB -1.540 40.783 42.510 -0.311 0.000 1.962 123 c HN 0.217 nan 8.230 nan 0.000 0.499 124 L N 2.928 124.100 121.223 -0.087 0.000 1.970 124 L HA -0.096 4.245 4.340 0.003 0.000 0.212 124 L C 3.099 179.980 176.870 0.019 0.000 1.071 124 L CA 2.822 57.665 54.840 0.004 0.000 0.751 124 L CB -0.885 41.215 42.059 0.068 0.000 0.889 124 L HN 0.622 nan 8.230 nan 0.000 0.432 125 S N -1.370 114.339 115.700 0.015 0.000 2.481 125 S HA -0.106 4.366 4.470 0.003 0.000 0.231 125 S C 1.881 176.494 174.600 0.021 0.000 0.996 125 S CA 0.518 58.734 58.200 0.027 0.000 0.942 125 S CB -0.461 62.754 63.200 0.025 0.000 0.768 125 S HN 0.435 nan 8.310 nan 0.000 0.520 126 R N 0.891 121.390 120.500 -0.002 0.000 2.300 126 R HA 0.260 4.601 4.340 0.003 0.000 0.199 126 R C 1.320 177.631 176.300 0.018 0.000 0.920 126 R CA 0.358 56.456 56.100 -0.004 0.000 1.046 126 R CB -0.288 29.982 30.300 -0.050 0.000 0.984 126 R HN 0.527 nan 8.270 nan 0.000 0.493 127 G N 3.011 111.825 108.800 0.024 0.000 2.246 127 G HA2 -0.239 3.723 3.960 0.003 0.000 0.273 127 G HA3 -0.239 3.723 3.960 0.003 0.000 0.273 127 G C -0.267 174.656 174.900 0.038 0.000 1.055 127 G CA 0.683 45.808 45.100 0.042 0.000 0.851 127 G HN 0.565 nan 8.290 nan 0.000 0.500 128 D N -1.569 118.850 120.400 0.033 0.000 2.822 128 D HA 0.178 4.820 4.640 0.003 0.000 0.327 128 D C 0.724 177.071 176.300 0.079 0.000 1.577 128 D CA -0.159 53.887 54.000 0.075 0.000 0.785 128 D CB -1.053 39.836 40.800 0.148 0.000 1.199 128 D HN 0.269 nan 8.370 nan 0.000 0.443 129 c N 0.779 119.374 118.600 -0.008 0.000 2.703 129 c HA 0.251 4.822 4.570 0.003 0.000 0.411 129 c C 1.437 175.536 174.090 0.016 0.000 1.290 129 c CA -0.677 55.610 56.329 -0.070 0.000 2.054 129 c CB -0.106 42.332 42.510 -0.120 0.000 2.732 129 c HN 0.519 nan 8.230 nan 0.000 0.650 130 c N 2.679 121.297 118.600 0.030 0.000 2.702 130 c HA 0.149 4.721 4.570 0.003 0.000 0.411 130 c C 2.252 176.406 174.090 0.106 0.000 1.286 130 c CA 0.478 56.854 56.329 0.079 0.000 1.979 130 c CB -0.162 42.401 42.510 0.088 0.000 2.728 130 c HN 1.061 nan 8.230 nan 0.000 0.652 131 T N -0.346 114.259 114.554 0.084 0.000 2.962 131 T HA -0.166 4.186 4.350 0.003 0.000 0.270 131 T C 1.086 175.836 174.700 0.084 0.000 1.088 131 T CA 1.660 63.798 62.100 0.063 0.000 1.127 131 T CB -0.409 68.470 68.868 0.017 0.000 0.883 131 T HN 0.842 nan 8.240 nan 0.000 0.493 132 N N 0.178 118.940 118.700 0.103 0.000 2.268 132 N HA -0.013 4.729 4.740 0.003 0.000 0.204 132 N C 1.186 176.727 175.510 0.052 0.000 1.124 132 N CA -0.415 52.677 53.050 0.069 0.000 0.838 132 N CB -0.684 37.867 38.487 0.106 0.000 0.994 132 N HN 0.497 nan 8.380 nan 0.000 0.489 133 Y N 1.783 122.077 120.300 -0.011 0.000 2.081 133 Y HA -0.235 4.317 4.550 0.003 0.000 0.280 133 Y C 2.125 178.007 175.900 -0.031 0.000 1.163 133 Y CA 2.147 60.240 58.100 -0.011 0.000 1.135 133 Y CB -0.309 38.154 38.460 0.006 0.000 0.970 133 Y HN 0.142 nan 8.280 nan 0.000 0.498 134 Q N -0.704 118.918 119.800 -0.298 0.000 2.124 134 Q HA -0.153 4.188 4.340 0.003 0.000 0.202 134 Q C 2.339 178.158 176.000 -0.302 0.000 0.977 134 Q CA 1.887 57.454 55.803 -0.394 0.000 0.850 134 Q CB -0.262 28.373 28.738 -0.172 0.000 0.901 134 Q HN 0.446 nan 8.270 nan 0.000 0.429 135 V N -0.044 119.720 119.914 -0.250 0.000 2.343 135 V HA -0.206 3.916 4.120 0.003 0.000 0.247 135 V C 2.119 178.081 176.094 -0.220 0.000 1.051 135 V CA 1.376 63.509 62.300 -0.277 0.000 1.036 135 V CB -0.308 31.229 31.823 -0.477 0.000 0.654 135 V HN 0.170 nan 8.190 nan 0.000 0.451 136 V N -1.553 118.247 119.914 -0.190 0.000 2.446 136 V HA -0.154 3.968 4.120 0.003 0.000 0.244 136 V C 2.179 178.184 176.094 -0.147 0.000 1.039 136 V CA 2.003 64.228 62.300 -0.125 0.000 1.045 136 V CB 0.057 31.846 31.823 -0.055 0.000 0.681 136 V HN 0.638 nan 8.190 nan 0.000 0.459 137 c N -0.877 117.567 118.600 -0.259 0.000 2.791 137 c HA 0.212 4.784 4.570 0.003 0.000 0.288 137 c C 1.808 175.733 174.090 -0.275 0.000 1.271 137 c CA -0.169 55.995 56.329 -0.275 0.000 1.726 137 c CB -0.367 41.894 42.510 -0.415 0.000 2.145 137 c HN 0.393 nan 8.230 nan 0.000 0.572 138 K N 0.088 120.305 120.400 -0.305 0.000 2.501 138 K HA 0.246 4.568 4.320 0.003 0.000 0.204 138 K C 1.115 177.624 176.600 -0.152 0.000 1.067 138 K CA 0.650 56.808 56.287 -0.216 0.000 1.060 138 K CB 0.519 32.873 32.500 -0.243 0.000 0.873 138 K HN 0.336 nan 8.250 nan 0.000 0.540 139 G N 1.816 110.528 108.800 -0.147 0.000 2.168 139 G HA2 -0.261 3.701 3.960 0.003 0.000 0.257 139 G HA3 -0.261 3.701 3.960 0.003 0.000 0.257 139 G C 0.147 174.979 174.900 -0.113 0.000 0.997 139 G CA 0.404 45.436 45.100 -0.113 0.000 0.708 139 G HN 0.239 nan 8.290 nan 0.000 0.520 140 E N 0.553 120.669 120.200 -0.139 0.000 2.391 140 E HA 0.480 4.832 4.350 0.003 0.000 0.255 140 E C 0.989 177.499 176.600 -0.149 0.000 1.187 140 E CA 0.506 56.829 56.400 -0.127 0.000 0.941 140 E CB 0.973 30.596 29.700 -0.128 0.000 1.010 140 E HN 0.578 nan 8.360 nan 0.000 0.458 141 S N 0.868 116.496 115.700 -0.120 0.000 2.578 141 S HA 0.303 4.775 4.470 0.003 0.000 0.283 141 S C 0.135 174.670 174.600 -0.108 0.000 1.195 141 S CA -0.851 57.283 58.200 -0.110 0.000 1.050 141 S CB 0.796 63.960 63.200 -0.060 0.000 1.012 141 S HN 0.352 nan 8.310 nan 0.000 0.511 142 H N 0.589 119.643 119.070 -0.027 0.000 2.948 142 H HA -0.053 4.504 4.556 0.001 0.000 0.351 142 H C 0.686 176.033 175.328 0.031 0.000 1.079 142 H CA 0.647 56.700 56.048 0.009 0.000 1.407 142 H CB 0.264 30.028 29.762 0.004 0.000 1.373 142 H HN 1.029 nan 8.280 nan 0.000 0.605 143 W N 4.003 125.306 121.300 0.005 0.000 2.331 143 W HA -0.205 4.460 4.660 0.008 0.000 0.291 143 W C 1.943 178.431 176.519 -0.051 0.000 1.214 143 W CA 1.626 58.931 57.345 -0.065 0.000 1.228 143 W CB -0.346 29.054 29.460 -0.100 0.000 1.135 143 W HN 0.412 nan 8.180 nan 0.000 0.537 144 V N 1.121 121.052 119.914 0.029 0.000 2.759 144 V HA -0.210 3.912 4.120 0.003 0.000 0.256 144 V C 1.394 177.323 176.094 -0.276 0.000 1.080 144 V CA 2.521 64.680 62.300 -0.235 0.000 1.101 144 V CB -0.528 31.261 31.823 -0.057 0.000 0.698 144 V HN 0.072 nan 8.190 nan 0.000 0.477 145 D N -0.226 120.086 120.400 -0.147 0.000 2.349 145 D HA 0.056 4.698 4.640 0.003 0.000 0.215 145 D C 0.200 176.408 176.300 -0.154 0.000 1.016 145 D CA 0.237 54.166 54.000 -0.118 0.000 0.870 145 D CB 0.008 40.790 40.800 -0.029 0.000 0.917 145 D HN 0.502 nan 8.370 nan 0.000 0.524 146 D N 1.523 121.782 120.400 -0.235 0.000 2.256 146 D HA 0.097 4.738 4.640 0.003 0.000 0.250 146 D C 0.103 176.262 176.300 -0.236 0.000 1.093 146 D CA -0.201 53.673 54.000 -0.211 0.000 0.882 146 D CB 1.098 41.770 40.800 -0.214 0.000 1.185 146 D HN -0.149 nan 8.370 nan 0.000 0.437 147 D N 0.535 120.854 120.400 -0.135 0.000 2.443 147 D HA -0.037 4.605 4.640 0.003 0.000 0.239 147 D C 0.304 176.558 176.300 -0.077 0.000 1.136 147 D CA -0.145 53.795 54.000 -0.099 0.000 0.879 147 D CB 0.565 41.337 40.800 -0.047 0.000 1.195 147 D HN 0.279 nan 8.370 nan 0.000 0.443 148 c N 3.204 121.777 118.600 -0.045 0.000 2.642 148 c HA 0.210 4.782 4.570 0.003 0.000 0.420 148 c C 0.253 174.428 174.090 0.141 0.000 1.349 148 c CA -0.056 56.314 56.329 0.069 0.000 1.821 148 c CB -0.756 41.817 42.510 0.105 0.000 2.637 148 c HN 0.617 nan 8.230 nan 0.000 0.605 149 E N 3.839 124.133 120.200 0.157 0.000 2.275 149 E HA 0.240 4.592 4.350 0.003 0.000 0.270 149 E C -0.894 175.647 176.600 -0.099 0.000 0.882 149 E CA -0.386 56.037 56.400 0.037 0.000 0.758 149 E CB 1.232 30.937 29.700 0.008 0.000 1.195 149 E HN 0.888 nan 8.360 nan 0.000 0.419 150 E N 4.153 124.028 120.200 -0.540 0.000 2.529 150 E HA -0.036 4.316 4.350 0.003 0.000 0.259 150 E C -0.576 175.839 176.600 -0.308 0.000 0.966 150 E CA 0.290 56.206 56.400 -0.806 0.000 0.937 150 E CB 0.458 29.500 29.700 -1.097 0.000 0.923 150 E HN 0.409 nan 8.360 nan 0.000 0.468 151 I N 6.302 126.753 120.570 -0.198 0.000 2.310 151 I HA 0.173 4.345 4.170 0.003 0.000 0.287 151 I C 1.269 177.323 176.117 -0.106 0.000 1.073 151 I CA -0.330 60.892 61.300 -0.130 0.000 1.216 151 I CB 0.743 38.669 38.000 -0.124 0.000 1.415 151 I HN 0.520 nan 8.210 nan 0.000 0.480 152 R N 3.723 124.162 120.500 -0.102 0.000 2.200 152 R HA 0.112 4.453 4.340 0.003 0.000 0.208 152 R C 0.281 176.551 176.300 -0.050 0.000 1.033 152 R CA 0.663 56.719 56.100 -0.073 0.000 1.000 152 R CB 0.378 30.633 30.300 -0.075 0.000 0.906 152 R HN 0.584 nan 8.270 nan 0.000 0.462 153 V N -2.795 117.089 119.914 -0.051 0.000 3.147 153 V HA 0.479 4.600 4.120 0.003 0.000 0.306 153 V C -2.965 173.104 176.094 -0.042 0.000 1.209 153 V CA -3.177 59.100 62.300 -0.038 0.000 1.023 153 V CB 2.211 34.017 31.823 -0.029 0.000 1.059 153 V HN -0.187 nan 8.190 nan 0.000 0.435 154 P HA 0.297 nan 4.420 nan 0.000 0.267 154 P C -0.697 176.575 177.300 -0.045 0.000 1.205 154 P CA 0.336 63.416 63.100 -0.033 0.000 0.765 154 P CB 0.212 31.908 31.700 -0.006 0.000 0.828 155 E N 2.065 122.220 120.200 -0.075 0.000 2.167 155 E HA 0.278 4.630 4.350 0.003 0.000 0.247 155 E C -0.822 175.705 176.600 -0.121 0.000 0.961 155 E CA -0.380 55.967 56.400 -0.087 0.000 0.797 155 E CB 0.107 29.744 29.700 -0.105 0.000 1.182 155 E HN 0.388 nan 8.360 nan 0.000 0.437 156 c N 2.829 121.368 118.600 -0.102 0.000 2.435 156 c HA 0.510 5.082 4.570 0.003 0.000 0.333 156 c C -1.770 172.235 174.090 -0.142 0.000 1.202 156 c CA -1.651 54.564 56.329 -0.191 0.000 1.830 156 c CB 0.722 43.171 42.510 -0.101 0.000 2.326 156 c HN 0.572 nan 8.230 nan 0.000 0.507 157 P HA 0.290 nan 4.420 nan 0.000 0.274 157 P C -0.620 176.751 177.300 0.120 0.000 1.260 157 P CA -0.214 62.850 63.100 -0.061 0.000 0.793 157 P CB 0.291 31.939 31.700 -0.087 0.000 1.048 158 A N 0.360 123.258 122.820 0.130 0.000 2.566 158 A HA 0.389 4.710 4.320 0.003 0.000 0.245 158 A C 1.417 179.143 177.584 0.236 0.000 1.056 158 A CA 0.900 53.026 52.037 0.148 0.000 0.757 158 A CB -1.582 17.480 19.000 0.103 0.000 0.979 158 A HN 0.897 nan 8.150 nan 0.000 0.508 159 G N 1.437 110.352 108.800 0.192 0.000 2.232 159 G HA2 -0.213 3.748 3.960 0.003 0.000 0.226 159 G HA3 -0.213 3.748 3.960 0.003 0.000 0.226 159 G C 0.074 175.031 174.900 0.095 0.000 0.996 159 G CA 0.049 45.226 45.100 0.128 0.000 0.626 159 G HN 0.699 nan 8.290 nan 0.000 0.509 160 F N 1.362 121.337 119.950 0.041 0.000 2.445 160 F HA 0.439 4.969 4.527 0.005 0.000 0.359 160 F C 1.702 177.523 175.800 0.036 0.000 1.101 160 F CA -0.149 57.879 58.000 0.046 0.000 1.177 160 F CB 1.690 40.720 39.000 0.050 0.000 1.110 160 F HN -0.056 nan 8.300 nan 0.000 0.522 161 V N 1.938 121.928 119.914 0.128 0.000 2.825 161 V HA 0.235 4.357 4.120 0.003 0.000 0.246 161 V C 1.058 177.210 176.094 0.098 0.000 1.068 161 V CA 0.889 63.241 62.300 0.087 0.000 1.088 161 V CB -0.965 30.880 31.823 0.037 0.000 0.733 161 V HN 0.662 nan 8.190 nan 0.000 0.468 162 R N 0.165 120.740 120.500 0.125 0.000 2.740 162 R HA 0.742 5.084 4.340 0.003 0.000 0.273 162 R C -3.243 173.163 176.300 0.176 0.000 0.998 162 R CA -1.874 54.295 56.100 0.115 0.000 0.900 162 R CB -0.364 29.981 30.300 0.075 0.000 1.223 162 R HN 0.167 nan 8.270 nan 0.000 0.466 163 P HA 0.233 nan 4.420 nan 0.000 0.266 163 P C -2.440 174.979 177.300 0.198 0.000 1.215 163 P CA -0.914 62.279 63.100 0.156 0.000 0.763 163 P CB 0.308 32.062 31.700 0.089 0.000 0.806 164 P HA 0.074 nan 4.420 nan 0.000 0.269 164 P C -0.780 176.686 177.300 0.276 0.000 1.217 164 P CA -0.065 63.227 63.100 0.320 0.000 0.783 164 P CB 0.371 32.323 31.700 0.421 0.000 0.898 165 L N 3.172 124.579 121.223 0.307 0.000 2.313 165 L HA 0.519 4.860 4.340 0.003 0.000 0.283 165 L C -1.085 176.002 176.870 0.362 0.000 1.013 165 L CA -0.173 54.843 54.840 0.293 0.000 0.816 165 L CB 0.595 42.801 42.059 0.246 0.000 1.236 165 L HN 0.223 nan 8.230 nan 0.000 0.419 166 I N 6.447 127.203 120.570 0.310 0.000 2.389 166 I HA 0.377 4.549 4.170 0.003 0.000 0.288 166 I C -0.703 175.578 176.117 0.273 0.000 0.999 166 I CA -0.477 61.002 61.300 0.298 0.000 1.129 166 I CB 1.681 39.808 38.000 0.212 0.000 1.288 166 I HN 0.520 nan 8.210 nan 0.000 0.444 167 I N 6.303 127.018 120.570 0.243 0.000 2.312 167 I HA 0.221 4.392 4.170 0.003 0.000 0.290 167 I C -0.658 175.604 176.117 0.242 0.000 1.008 167 I CA -0.329 61.110 61.300 0.231 0.000 1.226 167 I CB 0.934 39.050 38.000 0.194 0.000 1.371 167 I HN 0.407 nan 8.210 nan 0.000 0.468 168 F N 7.163 127.180 119.950 0.113 0.000 2.293 168 F HA 0.398 4.928 4.527 0.004 0.000 0.370 168 F C 0.445 176.227 175.800 -0.031 0.000 1.090 168 F CA -0.614 57.463 58.000 0.128 0.000 1.133 168 F CB 0.770 39.840 39.000 0.116 0.000 1.360 168 F HN 0.457 nan 8.300 nan 0.000 0.489 169 S N 5.123 120.837 115.700 0.023 0.000 2.508 169 S HA 0.831 5.302 4.470 0.003 0.000 0.284 169 S C -0.691 173.842 174.600 -0.112 0.000 1.192 169 S CA -0.574 57.615 58.200 -0.018 0.000 1.070 169 S CB 1.534 64.803 63.200 0.115 0.000 1.004 169 S HN 0.621 nan 8.310 nan 0.000 0.493 170 V N -0.284 119.541 119.914 -0.148 0.000 2.656 170 V HA 0.596 4.717 4.120 0.003 0.000 0.307 170 V C -0.666 175.409 176.094 -0.031 0.000 1.051 170 V CA -0.902 61.343 62.300 -0.091 0.000 0.893 170 V CB 1.731 33.553 31.823 -0.001 0.000 0.999 170 V HN 0.919 nan 8.190 nan 0.000 0.426 171 D N 2.801 123.175 120.400 -0.045 0.000 2.225 171 D HA 0.489 5.130 4.640 0.003 0.000 0.248 171 D C 1.149 177.417 176.300 -0.053 0.000 1.096 171 D CA 1.278 55.269 54.000 -0.015 0.000 0.863 171 D CB 1.570 42.439 40.800 0.114 0.000 1.156 171 D HN 1.433 nan 8.370 nan 0.000 0.450 172 G N 3.547 112.126 108.800 -0.369 0.000 2.179 172 G HA2 -0.305 3.657 3.960 0.003 0.000 0.257 172 G HA3 -0.305 3.657 3.960 0.003 0.000 0.257 172 G C 0.235 175.111 174.900 -0.040 0.000 1.010 172 G CA -0.110 44.818 45.100 -0.286 0.000 0.736 172 G HN 0.475 nan 8.290 nan 0.000 0.513 173 F N 2.283 122.164 119.950 -0.116 0.000 2.464 173 F HA 0.457 4.985 4.527 0.003 0.000 0.353 173 F C 1.246 176.938 175.800 -0.179 0.000 1.191 173 F CA -0.960 57.048 58.000 0.013 0.000 1.147 173 F CB 0.240 39.275 39.000 0.058 0.000 1.294 173 F HN 0.216 nan 8.300 nan 0.000 0.583 174 R N 3.647 123.820 120.500 -0.546 0.000 2.570 174 R HA 0.188 4.530 4.340 0.003 0.000 0.277 174 R C 1.344 177.488 176.300 -0.260 0.000 1.039 174 R CA 0.504 56.236 56.100 -0.614 0.000 1.065 174 R CB 0.895 30.464 30.300 -1.219 0.000 0.964 174 R HN 0.828 nan 8.270 nan 0.000 0.428 175 A N 2.776 125.578 122.820 -0.029 0.000 1.917 175 A HA -0.222 4.099 4.320 0.003 0.000 0.219 175 A C 2.006 179.672 177.584 0.137 0.000 1.182 175 A CA 2.113 54.235 52.037 0.142 0.000 0.633 175 A CB -0.645 18.451 19.000 0.160 0.000 0.819 175 A HN 0.892 nan 8.150 nan 0.000 0.448 176 S N -1.591 114.118 115.700 0.016 0.000 2.474 176 S HA -0.141 4.331 4.470 0.003 0.000 0.235 176 S C 1.690 176.402 174.600 0.188 0.000 0.997 176 S CA 1.048 59.305 58.200 0.095 0.000 0.949 176 S CB -0.734 62.523 63.200 0.095 0.000 0.766 176 S HN 0.517 nan 8.310 nan 0.000 0.517 177 Y N 1.799 122.134 120.300 0.059 0.000 2.315 177 Y HA 0.041 4.592 4.550 0.002 0.000 0.288 177 Y C 2.490 178.460 175.900 0.117 0.000 1.154 177 Y CA 0.107 58.194 58.100 -0.023 0.000 1.229 177 Y CB -0.871 37.359 38.460 -0.382 0.000 0.980 177 Y HN 0.267 nan 8.280 nan 0.000 0.540 178 M N 0.080 119.917 119.600 0.395 0.000 2.213 178 M HA -0.207 4.275 4.480 0.003 0.000 0.263 178 M C 1.765 178.164 176.300 0.165 0.000 1.062 178 M CA 1.356 56.831 55.300 0.292 0.000 1.105 178 M CB -0.975 31.775 32.600 0.250 0.000 1.385 178 M HN 0.214 nan 8.290 nan 0.000 0.417 179 K N 0.259 120.755 120.400 0.160 0.000 2.442 179 K HA -0.147 4.174 4.320 0.003 0.000 0.199 179 K C 1.754 178.405 176.600 0.085 0.000 1.044 179 K CA 0.837 57.191 56.287 0.111 0.000 0.941 179 K CB -0.140 32.431 32.500 0.118 0.000 0.759 179 K HN 0.425 nan 8.250 nan 0.000 0.472 180 K N 0.425 120.882 120.400 0.095 0.000 2.288 180 K HA -0.034 4.288 4.320 0.003 0.000 0.201 180 K C 1.114 177.729 176.600 0.025 0.000 1.048 180 K CA 0.466 56.783 56.287 0.051 0.000 0.956 180 K CB -0.092 32.426 32.500 0.031 0.000 0.746 180 K HN 0.306 nan 8.250 nan 0.000 0.461 181 G N 1.035 109.853 108.800 0.029 0.000 2.641 181 G HA2 -0.367 3.595 3.960 0.003 0.000 0.254 181 G HA3 -0.367 3.595 3.960 0.003 0.000 0.254 181 G C 0.717 175.599 174.900 -0.029 0.000 1.315 181 G CA 0.335 45.431 45.100 -0.007 0.000 0.907 181 G HN 0.302 nan 8.290 nan 0.000 0.572 182 S N -0.544 115.128 115.700 -0.047 0.000 2.481 182 S HA 0.017 4.488 4.470 0.003 0.000 0.231 182 S C 1.870 176.438 174.600 -0.053 0.000 0.996 182 S CA 1.660 59.823 58.200 -0.062 0.000 0.942 182 S CB -0.028 63.127 63.200 -0.075 0.000 0.768 182 S HN 0.737 nan 8.310 nan 0.000 0.520 183 K N 0.453 120.829 120.400 -0.040 0.000 2.211 183 K HA 0.054 4.375 4.320 0.003 0.000 0.203 183 K C 1.385 177.962 176.600 -0.039 0.000 1.050 183 K CA 1.279 57.544 56.287 -0.037 0.000 0.945 183 K CB -0.045 32.439 32.500 -0.027 0.000 0.732 183 K HN 0.348 nan 8.250 nan 0.000 0.451 184 V N -0.393 119.499 119.914 -0.036 0.000 3.359 184 V HA 0.126 4.247 4.120 0.003 0.000 0.245 184 V C 0.762 176.833 176.094 -0.039 0.000 1.247 184 V CA 0.392 62.669 62.300 -0.038 0.000 1.145 184 V CB 0.379 32.179 31.823 -0.037 0.000 0.906 184 V HN 0.181 nan 8.190 nan 0.000 0.464 185 M N 1.464 121.041 119.600 -0.038 0.000 2.693 185 M HA 0.290 4.771 4.480 0.003 0.000 0.224 185 M C -2.080 174.167 176.300 -0.089 0.000 1.149 185 M CA -1.261 54.008 55.300 -0.051 0.000 0.622 185 M CB 2.019 34.615 32.600 -0.007 0.000 1.443 185 M HN 0.041 nan 8.290 nan 0.000 0.431 186 P HA -0.134 nan 4.420 nan 0.000 0.216 186 P C 0.700 177.933 177.300 -0.112 0.000 1.153 186 P CA 1.554 64.592 63.100 -0.103 0.000 0.848 186 P CB 0.031 31.671 31.700 -0.099 0.000 0.787 187 N N 0.065 118.709 118.700 -0.093 0.000 2.084 187 N HA -0.088 4.654 4.740 0.003 0.000 0.190 187 N C 2.027 177.459 175.510 -0.131 0.000 1.030 187 N CA 1.142 54.183 53.050 -0.016 0.000 0.849 187 N CB -0.478 37.982 38.487 -0.045 0.000 1.012 187 N HN 0.200 nan 8.380 nan 0.000 0.423 188 I N 1.212 121.608 120.570 -0.289 0.000 2.315 188 I HA -0.213 3.958 4.170 0.003 0.000 0.248 188 I C 2.476 178.393 176.117 -0.334 0.000 1.117 188 I CA 0.931 61.942 61.300 -0.483 0.000 1.404 188 I CB -0.146 37.502 38.000 -0.586 0.000 1.071 188 I HN 0.055 nan 8.210 nan 0.000 0.419 189 E N 1.611 121.682 120.200 -0.215 0.000 2.110 189 E HA -0.276 4.076 4.350 0.003 0.000 0.193 189 E C 2.048 178.544 176.600 -0.175 0.000 0.988 189 E CA 1.561 57.856 56.400 -0.174 0.000 0.804 189 E CB -0.138 29.487 29.700 -0.126 0.000 0.745 189 E HN 0.318 nan 8.360 nan 0.000 0.458 190 K N -0.121 120.176 120.400 -0.171 0.000 2.025 190 K HA -0.100 4.222 4.320 0.003 0.000 0.207 190 K C 2.187 178.712 176.600 -0.125 0.000 1.049 190 K CA 1.335 57.513 56.287 -0.182 0.000 0.933 190 K CB -0.227 32.066 32.500 -0.344 0.000 0.714 190 K HN 0.189 nan 8.250 nan 0.000 0.438 191 L N 0.760 121.898 121.223 -0.142 0.000 2.013 191 L HA -0.228 4.113 4.340 0.003 0.000 0.212 191 L C 2.949 179.750 176.870 -0.115 0.000 1.073 191 L CA 1.607 56.311 54.840 -0.228 0.000 0.753 191 L CB -0.549 41.278 42.059 -0.386 0.000 0.890 191 L HN 0.298 nan 8.230 nan 0.000 0.432 192 R N 0.212 120.595 120.500 -0.195 0.000 2.070 192 R HA -0.169 4.173 4.340 0.003 0.000 0.233 192 R C 2.620 178.801 176.300 -0.198 0.000 1.137 192 R CA 2.004 57.979 56.100 -0.207 0.000 0.945 192 R CB -0.201 29.933 30.300 -0.276 0.000 0.845 192 R HN 0.487 nan 8.270 nan 0.000 0.430 193 S N -0.643 114.948 115.700 -0.181 0.000 2.387 193 S HA -0.146 4.325 4.470 0.003 0.000 0.226 193 S C 2.333 176.876 174.600 -0.095 0.000 1.026 193 S CA 1.032 59.140 58.200 -0.154 0.000 0.972 193 S CB -0.704 62.412 63.200 -0.139 0.000 0.814 193 S HN 0.540 nan 8.310 nan 0.000 0.477 194 c N 1.802 120.392 118.600 -0.017 0.000 2.512 194 c HA 0.452 5.024 4.570 0.003 0.000 0.276 194 c C 1.932 176.088 174.090 0.110 0.000 1.368 194 c CA 0.080 56.431 56.329 0.036 0.000 1.755 194 c CB -1.558 41.110 42.510 0.263 0.000 2.008 194 c HN 0.691 nan 8.230 nan 0.000 0.511 195 G N -0.247 108.688 108.800 0.226 0.000 2.714 195 G HA2 0.425 4.386 3.960 0.003 0.000 0.197 195 G HA3 0.425 4.386 3.960 0.003 0.000 0.197 195 G C -0.720 174.259 174.900 0.132 0.000 1.449 195 G CA 0.148 45.372 45.100 0.206 0.000 1.065 195 G HN 0.345 nan 8.290 nan 0.000 0.575 196 T N 0.872 115.489 114.554 0.105 0.000 2.758 196 T HA 0.505 4.857 4.350 0.003 0.000 0.285 196 T C -0.605 174.195 174.700 0.166 0.000 0.981 196 T CA -0.266 61.926 62.100 0.153 0.000 0.965 196 T CB 0.730 69.723 68.868 0.208 0.000 0.927 196 T HN 0.685 nan 8.240 nan 0.000 0.448 197 H N 0.618 119.754 119.070 0.110 0.000 2.768 197 H HA 0.798 5.355 4.556 0.002 0.000 0.371 197 H C -1.315 174.154 175.328 0.236 0.000 1.151 197 H CA -1.155 54.976 56.048 0.139 0.000 1.165 197 H CB 1.414 31.202 29.762 0.044 0.000 1.722 197 H HN 0.641 nan 8.280 nan 0.000 0.543 198 A N 3.030 125.972 122.820 0.202 0.000 2.306 198 A HA 0.454 4.775 4.320 0.003 0.000 0.330 198 A C -1.732 175.886 177.584 0.055 0.000 1.146 198 A CA -1.792 50.268 52.037 0.039 0.000 0.827 198 A CB 0.884 19.940 19.000 0.093 0.000 1.178 198 A HN 0.684 nan 8.150 nan 0.000 0.490 199 P HA -0.017 nan 4.420 nan 0.000 0.221 199 P C -0.407 177.046 177.300 0.255 0.000 1.150 199 P CA 1.614 64.800 63.100 0.145 0.000 0.800 199 P CB -0.221 31.540 31.700 0.102 0.000 0.787 200 Y N -4.103 116.227 120.300 0.050 0.000 2.702 200 Y HA 0.653 5.204 4.550 0.003 0.000 0.336 200 Y C -1.072 174.757 175.900 -0.119 0.000 1.203 200 Y CA -1.726 56.380 58.100 0.009 0.000 1.072 200 Y CB 0.533 39.002 38.460 0.015 0.000 1.327 200 Y HN -0.289 nan 8.280 nan 0.000 0.456 201 M N 2.853 122.479 119.600 0.043 0.000 2.321 201 M HA 0.518 5.000 4.480 0.003 0.000 0.315 201 M C -1.069 175.247 176.300 0.027 0.000 1.052 201 M CA -0.870 54.295 55.300 -0.225 0.000 0.936 201 M CB 1.972 34.385 32.600 -0.313 0.000 1.639 201 M HN 0.920 nan 8.290 nan 0.000 0.433 202 R N 6.196 126.705 120.500 0.015 0.000 2.267 202 R HA 0.468 4.809 4.340 0.003 0.000 0.319 202 R C -2.502 173.859 176.300 0.102 0.000 1.067 202 R CA -1.265 54.901 56.100 0.110 0.000 0.936 202 R CB 0.782 31.154 30.300 0.121 0.000 1.006 202 R HN 0.375 nan 8.270 nan 0.000 0.452 203 P HA 0.049 nan 4.420 nan 0.000 0.279 203 P C -0.538 176.872 177.300 0.183 0.000 1.282 203 P CA -0.391 62.805 63.100 0.159 0.000 0.788 203 P CB 0.704 32.515 31.700 0.184 0.000 1.139 204 V N -2.484 117.550 119.914 0.200 0.000 2.997 204 V HA 0.397 4.518 4.120 0.003 0.000 0.311 204 V C -0.183 176.029 176.094 0.197 0.000 1.066 204 V CA -0.990 61.447 62.300 0.228 0.000 1.039 204 V CB 0.463 32.439 31.823 0.255 0.000 1.081 204 V HN 0.476 nan 8.190 nan 0.000 0.467 205 Y N 3.672 123.998 120.300 0.043 0.000 2.299 205 Y HA 0.620 5.172 4.550 0.002 0.000 0.326 205 Y C -2.246 173.525 175.900 -0.215 0.000 1.164 205 Y CA -2.286 55.757 58.100 -0.096 0.000 1.234 205 Y CB 1.741 40.097 38.460 -0.173 0.000 1.219 205 Y HN 0.564 nan 8.280 nan 0.000 0.497 206 P HA 0.057 nan 4.420 nan 0.000 0.275 206 P C -0.569 176.516 177.300 -0.358 0.000 1.228 206 P CA -0.290 62.116 63.100 -1.157 0.000 0.786 206 P CB 0.672 31.810 31.700 -0.937 0.000 0.927 207 T N 0.022 114.458 114.554 -0.198 0.000 4.309 207 T HA 0.234 4.586 4.350 0.003 0.000 0.242 207 T C 0.276 174.951 174.700 -0.042 0.000 1.142 207 T CA -0.348 61.757 62.100 0.009 0.000 1.042 207 T CB -0.756 68.186 68.868 0.123 0.000 1.366 207 T HN 0.213 nan 8.240 nan 0.000 0.942 208 K N 0.254 120.646 120.400 -0.013 0.000 2.346 208 K HA 0.445 4.766 4.320 0.003 0.000 0.238 208 K C 0.955 177.717 176.600 0.270 0.000 1.039 208 K CA -0.961 55.358 56.287 0.054 0.000 0.861 208 K CB 1.232 33.739 32.500 0.011 0.000 1.278 208 K HN 0.011 nan 8.250 nan 0.000 0.460 209 T N 0.681 115.473 114.554 0.397 0.000 2.668 209 T HA -0.095 4.256 4.350 0.003 0.000 0.262 209 T C 1.708 176.690 174.700 0.470 0.000 1.045 209 T CA 1.511 63.908 62.100 0.496 0.000 1.152 209 T CB -0.259 68.932 68.868 0.539 0.000 0.864 209 T HN 0.319 nan 8.240 nan 0.000 0.419 210 F N 1.580 121.645 119.950 0.191 0.000 2.095 210 F HA 0.037 4.566 4.527 0.003 0.000 0.298 210 F C -0.603 175.312 175.800 0.192 0.000 1.104 210 F CA 0.497 58.607 58.000 0.184 0.000 1.232 210 F CB -1.842 37.251 39.000 0.155 0.000 0.987 210 F HN 0.192 nan 8.300 nan 0.000 0.475 211 P HA -0.138 nan 4.420 nan 0.000 0.216 211 P C 1.361 178.870 177.300 0.349 0.000 1.150 211 P CA 1.559 64.867 63.100 0.347 0.000 0.837 211 P CB -0.002 31.837 31.700 0.231 0.000 0.786 212 N N -0.892 117.984 118.700 0.293 0.000 2.207 212 N HA -0.001 4.741 4.740 0.003 0.000 0.182 212 N C 1.748 177.393 175.510 0.225 0.000 1.020 212 N CA 0.938 54.144 53.050 0.261 0.000 0.858 212 N CB -0.466 38.180 38.487 0.265 0.000 0.991 212 N HN 0.160 nan 8.380 nan 0.000 0.427 213 L N -0.278 121.075 121.223 0.217 0.000 2.083 213 L HA -0.178 4.164 4.340 0.003 0.000 0.209 213 L C 2.262 179.254 176.870 0.204 0.000 1.083 213 L CA 1.170 56.117 54.840 0.177 0.000 0.752 213 L CB -0.485 41.628 42.059 0.091 0.000 0.899 213 L HN 0.216 nan 8.230 nan 0.000 0.433 214 Y N 0.175 120.481 120.300 0.010 0.000 2.337 214 Y HA -0.209 4.342 4.550 0.003 0.000 0.293 214 Y C 2.698 178.478 175.900 -0.200 0.000 1.123 214 Y CA 1.261 59.288 58.100 -0.123 0.000 1.201 214 Y CB 0.172 38.477 38.460 -0.259 0.000 1.011 214 Y HN 0.053 nan 8.280 nan 0.000 0.545 215 T N 0.992 115.550 114.554 0.007 0.000 2.708 215 T HA -0.210 4.142 4.350 0.003 0.000 0.266 215 T C 1.868 176.566 174.700 -0.002 0.000 1.037 215 T CA 1.675 63.828 62.100 0.088 0.000 1.146 215 T CB -0.462 68.554 68.868 0.248 0.000 0.865 215 T HN 0.277 nan 8.240 nan 0.000 0.435 216 L N 0.697 121.967 121.223 0.078 0.000 2.043 216 L HA -0.161 4.180 4.340 0.003 0.000 0.212 216 L C 2.905 179.831 176.870 0.094 0.000 1.075 216 L CA 1.460 56.372 54.840 0.119 0.000 0.752 216 L CB -0.552 41.615 42.059 0.180 0.000 0.891 216 L HN 0.237 nan 8.230 nan 0.000 0.432 217 A N -0.865 121.970 122.820 0.025 0.000 2.066 217 A HA -0.135 4.187 4.320 0.003 0.000 0.218 217 A C 2.188 179.578 177.584 -0.324 0.000 1.157 217 A CA 1.911 53.922 52.037 -0.044 0.000 0.670 217 A CB -0.545 18.457 19.000 0.003 0.000 0.804 217 A HN 0.544 nan 8.150 nan 0.000 0.453 218 T N -6.428 107.793 114.554 -0.555 0.000 2.958 218 T HA 0.420 4.771 4.350 0.003 0.000 0.256 218 T C 1.412 175.482 174.700 -1.050 0.000 0.983 218 T CA 1.074 62.603 62.100 -0.952 0.000 0.924 218 T CB 0.224 68.573 68.868 -0.864 0.000 1.136 218 T HN 1.608 nan 8.240 nan 0.000 0.506 219 G N 1.653 110.152 108.800 -0.501 0.000 2.155 219 G HA2 -0.214 3.748 3.960 0.003 0.000 0.257 219 G HA3 -0.214 3.748 3.960 0.003 0.000 0.257 219 G C -0.117 174.574 174.900 -0.348 0.000 0.983 219 G CA 0.538 45.447 45.100 -0.318 0.000 0.676 219 G HN 0.657 nan 8.290 nan 0.000 0.528 220 L N -0.466 120.578 121.223 -0.297 0.000 2.331 220 L HA 0.616 4.957 4.340 0.003 0.000 0.275 220 L C 0.675 177.425 176.870 -0.199 0.000 1.022 220 L CA -1.695 52.987 54.840 -0.264 0.000 0.812 220 L CB 0.878 42.855 42.059 -0.136 0.000 1.257 220 L HN 0.045 nan 8.230 nan 0.000 0.435 221 Y N 1.977 122.205 120.300 -0.121 0.000 2.578 221 Y HA 0.020 4.571 4.550 0.003 0.000 0.339 221 Y C -1.386 174.270 175.900 -0.406 0.000 1.231 221 Y CA -1.523 56.494 58.100 -0.138 0.000 1.461 221 Y CB -0.233 38.169 38.460 -0.096 0.000 1.323 221 Y HN 0.437 nan 8.280 nan 0.000 0.590 222 P HA -0.234 nan 4.420 nan 0.000 0.216 222 P C 1.140 178.229 177.300 -0.351 0.000 1.150 222 P CA 2.282 64.961 63.100 -0.702 0.000 0.843 222 P CB 0.094 31.771 31.700 -0.039 0.000 0.787 223 E N -1.090 119.047 120.200 -0.106 0.000 2.204 223 E HA -0.120 4.232 4.350 0.003 0.000 0.195 223 E C 1.527 178.076 176.600 -0.085 0.000 0.990 223 E CA 1.345 57.684 56.400 -0.103 0.000 0.821 223 E CB -0.728 28.928 29.700 -0.073 0.000 0.750 223 E HN 0.138 nan 8.360 nan 0.000 0.477 224 S N 0.570 116.222 115.700 -0.080 0.000 2.427 224 S HA -0.050 4.422 4.470 0.003 0.000 0.224 224 S C 1.625 176.223 174.600 -0.003 0.000 1.047 224 S CA 0.744 58.917 58.200 -0.045 0.000 0.953 224 S CB -0.177 63.007 63.200 -0.028 0.000 0.824 224 S HN 0.675 nan 8.310 nan 0.000 0.502 225 H N 0.049 119.141 119.070 0.037 0.000 2.529 225 H HA 0.375 4.932 4.556 0.003 0.000 0.277 225 H C 1.429 176.836 175.328 0.132 0.000 0.999 225 H CA 0.892 56.997 56.048 0.096 0.000 1.256 225 H CB -0.666 29.152 29.762 0.093 0.000 1.402 225 H HN 0.387 nan 8.280 nan 0.000 0.566 226 G N 0.485 109.396 108.800 0.185 0.000 2.213 226 G HA2 -0.239 3.722 3.960 0.003 0.000 0.236 226 G HA3 -0.239 3.722 3.960 0.003 0.000 0.236 226 G C 0.119 175.025 174.900 0.010 0.000 0.991 226 G CA 0.136 45.282 45.100 0.077 0.000 0.629 226 G HN 0.317 nan 8.290 nan 0.000 0.517 227 I N 3.387 124.069 120.570 0.186 0.000 2.206 227 I HA 0.248 4.419 4.170 0.003 0.000 0.292 227 I C 1.933 178.081 176.117 0.052 0.000 1.156 227 I CA 0.043 61.269 61.300 -0.123 0.000 1.356 227 I CB 0.150 38.012 38.000 -0.229 0.000 1.494 227 I HN 0.337 nan 8.210 nan 0.000 0.601 228 V N 2.176 122.060 119.914 -0.051 0.000 3.541 228 V HA 0.542 4.663 4.120 0.003 0.000 0.267 228 V C 0.795 176.956 176.094 0.113 0.000 1.213 228 V CA 0.614 62.962 62.300 0.081 0.000 1.149 228 V CB -0.166 31.659 31.823 0.004 0.000 0.822 228 V HN 0.586 nan 8.190 nan 0.000 0.462 229 G N -0.684 108.099 108.800 -0.029 0.000 2.608 229 G HA2 0.337 4.298 3.960 0.003 0.000 0.291 229 G HA3 0.337 4.298 3.960 0.003 0.000 0.291 229 G C -0.411 174.449 174.900 -0.068 0.000 1.425 229 G CA -0.174 44.907 45.100 -0.032 0.000 0.787 229 G HN -0.088 nan 8.290 nan 0.000 0.484 230 N N -0.410 118.267 118.700 -0.038 0.000 2.309 230 N HA 0.038 4.780 4.740 0.003 0.000 0.182 230 N C 0.597 176.084 175.510 -0.038 0.000 1.018 230 N CA 0.939 53.947 53.050 -0.069 0.000 0.876 230 N CB 0.164 38.588 38.487 -0.105 0.000 0.972 230 N HN 0.317 nan 8.380 nan 0.000 0.434 231 S N 0.029 115.702 115.700 -0.046 0.000 2.526 231 S HA 0.740 5.212 4.470 0.003 0.000 0.293 231 S C -0.333 174.205 174.600 -0.105 0.000 1.092 231 S CA -0.763 57.404 58.200 -0.055 0.000 0.980 231 S CB 2.132 65.333 63.200 0.002 0.000 1.048 231 S HN 0.135 nan 8.310 nan 0.000 0.483 232 M N 1.684 121.189 119.600 -0.157 0.000 2.603 232 M HA 0.530 5.012 4.480 0.003 0.000 0.275 232 M C -1.987 174.337 176.300 0.040 0.000 1.226 232 M CA -1.009 54.246 55.300 -0.076 0.000 0.870 232 M CB 1.542 34.066 32.600 -0.127 0.000 1.716 232 M HN 0.574 nan 8.290 nan 0.000 0.482 233 Y N 1.099 121.405 120.300 0.010 0.000 2.335 233 Y HA 0.522 5.074 4.550 0.003 0.000 0.338 233 Y C -1.329 174.641 175.900 0.118 0.000 0.977 233 Y CA -0.495 57.659 58.100 0.090 0.000 1.114 233 Y CB 1.195 39.670 38.460 0.024 0.000 1.182 233 Y HN 0.758 nan 8.280 nan 0.000 0.463 234 D N 8.344 128.501 120.400 -0.405 0.000 2.373 234 D HA 0.272 4.914 4.640 0.003 0.000 0.227 234 D C -2.209 173.545 176.300 -0.910 0.000 1.091 234 D CA -2.252 51.389 54.000 -0.598 0.000 0.840 234 D CB 2.351 42.677 40.800 -0.790 0.000 1.060 234 D HN 0.364 nan 8.370 nan 0.000 0.502 235 P HA -0.067 nan 4.420 nan 0.000 0.223 235 P C 1.528 178.678 177.300 -0.250 0.000 1.151 235 P CA 0.276 63.142 63.100 -0.391 0.000 0.787 235 P CB 0.573 32.221 31.700 -0.086 0.000 0.788 236 V N -1.078 118.643 119.914 -0.322 0.000 2.323 236 V HA -0.175 3.946 4.120 0.003 0.000 0.244 236 V C 2.063 178.114 176.094 -0.071 0.000 1.041 236 V CA 1.618 63.792 62.300 -0.209 0.000 1.025 236 V CB -1.369 30.300 31.823 -0.258 0.000 0.656 236 V HN -0.043 nan 8.190 nan 0.000 0.451 237 F N 0.328 120.128 119.950 -0.251 0.000 2.365 237 F HA 0.021 4.550 4.527 0.002 0.000 0.300 237 F C 1.447 177.169 175.800 -0.131 0.000 1.090 237 F CA 0.672 58.539 58.000 -0.220 0.000 1.408 237 F CB -1.196 37.601 39.000 -0.338 0.000 1.060 237 F HN 0.342 nan 8.300 nan 0.000 0.534 238 D N -0.011 120.378 120.400 -0.019 0.000 2.697 238 D HA -0.101 4.541 4.640 0.003 0.000 0.235 238 D C -0.313 176.104 176.300 0.195 0.000 1.167 238 D CA 0.745 54.779 54.000 0.057 0.000 0.656 238 D CB -0.842 40.048 40.800 0.150 0.000 1.025 238 D HN 0.405 nan 8.370 nan 0.000 0.419 239 A N -0.044 122.877 122.820 0.168 0.000 2.566 239 A HA 0.822 5.143 4.320 0.003 0.000 0.292 239 A C -0.226 177.649 177.584 0.486 0.000 1.112 239 A CA -0.398 51.859 52.037 0.367 0.000 0.707 239 A CB 2.013 21.265 19.000 0.419 0.000 1.302 239 A HN 0.149 nan 8.150 nan 0.000 0.409 240 T N 1.021 115.821 114.554 0.409 0.000 2.824 240 T HA 0.534 4.886 4.350 0.003 0.000 0.282 240 T C -1.076 173.562 174.700 -0.105 0.000 0.993 240 T CA -0.032 62.183 62.100 0.192 0.000 0.967 240 T CB 0.735 69.662 68.868 0.098 0.000 0.960 240 T HN 0.506 nan 8.240 nan 0.000 0.441 241 F N 4.321 123.867 119.950 -0.674 0.000 2.420 241 F HA 0.518 5.047 4.527 0.002 0.000 0.342 241 F C -0.052 175.263 175.800 -0.808 0.000 1.113 241 F CA -0.436 56.982 58.000 -0.970 0.000 1.059 241 F CB 0.648 38.640 39.000 -1.679 0.000 1.128 241 F HN 0.532 nan 8.300 nan 0.000 0.475 242 H N 6.753 125.487 119.070 -0.560 0.000 2.768 242 H HA 0.183 4.740 4.556 0.003 0.000 0.371 242 H C 0.578 175.523 175.328 -0.638 0.000 1.151 242 H CA -0.722 55.084 56.048 -0.403 0.000 1.165 242 H CB 2.294 31.897 29.762 -0.265 0.000 1.722 242 H HN 0.626 nan 8.280 nan 0.000 0.543 243 L N 1.260 122.254 121.223 -0.382 0.000 2.043 243 L HA -0.141 4.201 4.340 0.003 0.000 0.212 243 L C 0.995 177.620 176.870 -0.408 0.000 1.075 243 L CA 1.959 56.417 54.840 -0.637 0.000 0.752 243 L CB -0.764 41.014 42.059 -0.468 0.000 0.891 243 L HN 0.745 nan 8.230 nan 0.000 0.432 244 R N -0.811 119.543 120.500 -0.243 0.000 2.532 244 R HA 0.592 4.934 4.340 0.003 0.000 0.295 244 R C 0.387 176.605 176.300 -0.137 0.000 0.968 244 R CA 0.021 56.029 56.100 -0.153 0.000 0.916 244 R CB 0.274 30.508 30.300 -0.110 0.000 1.124 244 R HN 0.810 nan 8.270 nan 0.000 0.463 245 G N -1.507 107.246 108.800 -0.077 0.000 2.497 245 G HA2 0.415 4.376 3.960 0.003 0.000 0.686 245 G HA3 0.415 4.376 3.960 0.003 0.000 0.686 245 G C 0.498 175.400 174.900 0.004 0.000 1.288 245 G CA 0.417 45.495 45.100 -0.037 0.000 0.899 245 G HN 1.581 nan 8.290 nan 0.000 0.608 246 R N -0.272 120.273 120.500 0.075 0.000 2.210 246 R HA 0.365 4.707 4.340 0.003 0.000 0.203 246 R C 2.118 178.531 176.300 0.189 0.000 1.010 246 R CA 1.968 58.203 56.100 0.225 0.000 1.008 246 R CB -0.775 29.602 30.300 0.127 0.000 0.923 246 R HN 0.987 nan 8.270 nan 0.000 0.469 247 E N 2.306 122.533 120.200 0.045 0.000 2.130 247 E HA -0.242 4.110 4.350 0.003 0.000 0.196 247 E C 1.940 178.552 176.600 0.019 0.000 0.998 247 E CA 2.236 58.683 56.400 0.078 0.000 0.806 247 E CB -0.159 29.563 29.700 0.037 0.000 0.738 247 E HN 0.773 nan 8.360 nan 0.000 0.459 248 K N -0.888 119.276 120.400 -0.393 0.000 2.280 248 K HA -0.134 4.188 4.320 0.003 0.000 0.202 248 K C 1.673 178.345 176.600 0.120 0.000 1.047 248 K CA 1.392 57.360 56.287 -0.532 0.000 0.942 248 K CB -0.499 31.395 32.500 -1.009 0.000 0.739 248 K HN 0.100 nan 8.250 nan 0.000 0.457 249 F N 1.830 121.890 119.950 0.183 0.000 2.502 249 F HA 0.010 4.538 4.527 0.002 0.000 0.298 249 F C 1.024 177.080 175.800 0.427 0.000 1.111 249 F CA -0.031 58.106 58.000 0.229 0.000 1.445 249 F CB -0.502 38.496 39.000 -0.003 0.000 1.081 249 F HN 0.099 nan 8.300 nan 0.000 0.558 250 N N 0.745 119.802 118.700 0.595 0.000 2.468 250 N HA -0.095 4.647 4.740 0.003 0.000 0.265 250 N C 1.060 177.004 175.510 0.724 0.000 1.199 250 N CA 0.517 53.894 53.050 0.546 0.000 0.928 250 N CB 0.186 38.919 38.487 0.411 0.000 1.059 250 N HN 0.392 nan 8.380 nan 0.000 0.467 251 H N 2.875 122.155 119.070 0.350 0.000 2.524 251 H HA -0.070 4.488 4.556 0.003 0.000 0.282 251 H C 1.506 177.047 175.328 0.356 0.000 1.016 251 H CA 0.494 56.771 56.048 0.382 0.000 1.270 251 H CB 0.649 30.537 29.762 0.210 0.000 1.394 251 H HN 0.640 nan 8.280 nan 0.000 0.568 252 R N 0.597 121.248 120.500 0.252 0.000 2.200 252 R HA -0.171 4.171 4.340 0.003 0.000 0.234 252 R C 1.085 177.432 176.300 0.077 0.000 1.127 252 R CA 1.476 57.579 56.100 0.005 0.000 0.989 252 R CB -0.645 29.359 30.300 -0.493 0.000 0.869 252 R HN 0.358 nan 8.270 nan 0.000 0.459 253 W N 0.264 121.713 121.300 0.249 0.000 2.518 253 W HA 0.103 4.764 4.660 0.003 0.000 0.273 253 W C 0.016 176.409 176.519 -0.210 0.000 1.247 253 W CA -0.382 56.962 57.345 -0.001 0.000 1.288 253 W CB -0.020 29.318 29.460 -0.204 0.000 1.107 253 W HN 0.009 nan 8.180 nan 0.000 0.586 254 W N 1.351 122.783 121.300 0.220 0.000 2.311 254 W HA 0.566 5.228 4.660 0.002 0.000 0.317 254 W C 0.611 177.219 176.519 0.148 0.000 1.065 254 W CA -0.846 56.525 57.345 0.044 0.000 1.364 254 W CB 0.156 29.523 29.460 -0.155 0.000 1.233 254 W HN -0.256 nan 8.180 nan 0.000 0.409 255 G N 1.110 110.140 108.800 0.383 0.000 2.568 255 G HA2 0.649 4.611 3.960 0.003 0.000 0.293 255 G HA3 0.649 4.611 3.960 0.003 0.000 0.293 255 G C 0.516 175.558 174.900 0.237 0.000 1.347 255 G CA 0.005 45.265 45.100 0.266 0.000 1.039 255 G HN 0.938 nan 8.290 nan 0.000 0.523 256 G N -1.185 107.658 108.800 0.072 0.000 2.601 256 G HA2 -0.093 3.868 3.960 0.003 0.000 0.252 256 G HA3 -0.093 3.868 3.960 0.003 0.000 0.252 256 G C 0.018 174.841 174.900 -0.128 0.000 1.294 256 G CA 0.581 45.637 45.100 -0.073 0.000 0.912 256 G HN 1.061 nan 8.290 nan 0.000 0.574 257 Q N 0.583 120.211 119.800 -0.286 0.000 2.589 257 Q HA 0.463 4.804 4.340 0.003 0.000 0.245 257 Q C -2.569 173.125 176.000 -0.509 0.000 0.931 257 Q CA -1.798 53.820 55.803 -0.309 0.000 0.730 257 Q CB 2.347 30.964 28.738 -0.202 0.000 1.315 257 Q HN 0.580 nan 8.270 nan 0.000 0.469 258 P HA -0.040 nan 4.420 nan 0.000 0.272 258 P C 0.724 177.497 177.300 -0.879 0.000 1.230 258 P CA -0.381 62.094 63.100 -1.042 0.000 0.788 258 P CB 1.056 31.687 31.700 -1.781 0.000 0.949 259 L N 2.083 122.978 121.223 -0.547 0.000 2.051 259 L HA -0.160 4.182 4.340 0.003 0.000 0.214 259 L C 2.366 179.018 176.870 -0.365 0.000 1.076 259 L CA 2.021 56.718 54.840 -0.238 0.000 0.758 259 L CB -1.568 40.467 42.059 -0.039 0.000 0.890 259 L HN 0.604 nan 8.230 nan 0.000 0.433 260 W N -1.344 119.625 121.300 -0.552 0.000 2.363 260 W HA -0.105 4.556 4.660 0.002 0.000 0.296 260 W C 1.975 178.337 176.519 -0.262 0.000 1.212 260 W CA 0.543 57.577 57.345 -0.519 0.000 1.260 260 W CB -0.938 28.091 29.460 -0.719 0.000 1.131 260 W HN -0.011 nan 8.180 nan 0.000 0.530 261 I N 1.443 121.703 120.570 -0.516 0.000 2.286 261 I HA -0.208 3.964 4.170 0.003 0.000 0.245 261 I C 2.289 178.296 176.117 -0.184 0.000 1.104 261 I CA 1.831 62.962 61.300 -0.281 0.000 1.397 261 I CB -1.871 35.921 38.000 -0.347 0.000 1.072 261 I HN 0.086 nan 8.210 nan 0.000 0.417 262 T N 1.630 116.062 114.554 -0.203 0.000 2.720 262 T HA -0.166 4.186 4.350 0.003 0.000 0.268 262 T C 2.077 176.722 174.700 -0.093 0.000 1.037 262 T CA 1.687 63.720 62.100 -0.112 0.000 1.144 262 T CB -0.345 68.482 68.868 -0.068 0.000 0.864 262 T HN 0.447 nan 8.240 nan 0.000 0.444 263 A N 1.428 124.190 122.820 -0.097 0.000 1.858 263 A HA -0.137 4.185 4.320 0.003 0.000 0.216 263 A C 2.605 180.158 177.584 -0.051 0.000 1.190 263 A CA 2.186 54.186 52.037 -0.062 0.000 0.617 263 A CB -1.378 17.600 19.000 -0.037 0.000 0.827 263 A HN 0.467 nan 8.150 nan 0.000 0.443 264 T N 0.118 114.643 114.554 -0.048 0.000 2.684 264 T HA -0.154 4.197 4.350 0.003 0.000 0.267 264 T C 1.882 176.559 174.700 -0.038 0.000 1.036 264 T CA 1.759 63.836 62.100 -0.038 0.000 1.148 264 T CB -0.249 68.606 68.868 -0.023 0.000 0.863 264 T HN 0.494 nan 8.240 nan 0.000 0.436 265 K N 0.792 121.166 120.400 -0.044 0.000 2.280 265 K HA -0.026 4.296 4.320 0.003 0.000 0.202 265 K C 1.799 178.379 176.600 -0.032 0.000 1.047 265 K CA 0.910 57.175 56.287 -0.037 0.000 0.942 265 K CB -0.017 32.459 32.500 -0.041 0.000 0.739 265 K HN 0.461 nan 8.250 nan 0.000 0.457 266 Q N -0.485 119.294 119.800 -0.036 0.000 2.201 266 Q HA 0.121 4.463 4.340 0.003 0.000 0.217 266 Q C 0.266 176.249 176.000 -0.028 0.000 0.860 266 Q CA 0.059 55.844 55.803 -0.030 0.000 0.984 266 Q CB 1.122 29.840 28.738 -0.034 0.000 1.095 266 Q HN 0.408 nan 8.270 nan 0.000 0.477 267 G N 0.629 109.411 108.800 -0.030 0.000 2.198 267 G HA2 -0.246 3.715 3.960 0.003 0.000 0.260 267 G HA3 -0.246 3.715 3.960 0.003 0.000 0.260 267 G C -0.041 174.839 174.900 -0.033 0.000 1.025 267 G CA 0.087 45.170 45.100 -0.030 0.000 0.769 267 G HN 0.258 nan 8.290 nan 0.000 0.507 268 V N 0.456 120.349 119.914 -0.036 0.000 2.417 268 V HA 0.541 4.662 4.120 0.003 0.000 0.291 268 V C 0.827 176.891 176.094 -0.049 0.000 1.024 268 V CA -0.896 61.382 62.300 -0.037 0.000 0.861 268 V CB 1.662 33.468 31.823 -0.027 0.000 0.985 268 V HN 0.496 nan 8.190 nan 0.000 0.436 269 R N 3.363 123.822 120.500 -0.069 0.000 2.357 269 R HA 0.700 5.042 4.340 0.003 0.000 0.296 269 R C -0.292 175.928 176.300 -0.134 0.000 1.052 269 R CA -0.152 55.886 56.100 -0.103 0.000 0.988 269 R CB 1.078 31.302 30.300 -0.127 0.000 1.025 269 R HN 0.837 nan 8.270 nan 0.000 0.469 270 A N 2.901 125.641 122.820 -0.133 0.000 2.342 270 A HA 0.594 4.915 4.320 0.003 0.000 0.323 270 A C 0.044 177.477 177.584 -0.252 0.000 1.125 270 A CA -0.497 51.483 52.037 -0.097 0.000 0.785 270 A CB 1.572 20.623 19.000 0.084 0.000 1.221 270 A HN 0.899 nan 8.150 nan 0.000 0.463 271 G N 0.307 108.874 108.800 -0.389 0.000 2.611 271 G HA2 0.446 4.407 3.960 0.003 0.000 0.273 271 G HA3 0.446 4.407 3.960 0.003 0.000 0.273 271 G C 0.187 174.956 174.900 -0.219 0.000 1.305 271 G CA -0.050 44.733 45.100 -0.529 0.000 1.010 271 G HN 0.756 nan 8.290 nan 0.000 0.509 272 T N 0.137 114.543 114.554 -0.245 0.000 2.930 272 T HA 0.168 4.519 4.350 0.003 0.000 0.306 272 T C -0.159 174.379 174.700 -0.270 0.000 1.045 272 T CA 0.418 62.350 62.100 -0.279 0.000 1.134 272 T CB 0.625 69.194 68.868 -0.499 0.000 0.961 272 T HN 0.260 nan 8.240 nan 0.000 0.545 273 F N 0.943 120.535 119.950 -0.597 0.000 2.708 273 F HA 0.453 4.982 4.527 0.003 0.000 0.300 273 F C 0.607 176.052 175.800 -0.592 0.000 1.118 273 F CA -0.830 56.842 58.000 -0.547 0.000 1.307 273 F CB -0.018 38.520 39.000 -0.769 0.000 0.986 273 F HN 0.639 nan 8.300 nan 0.000 0.522 274 F N -1.199 118.449 119.950 -0.504 0.000 2.591 274 F HA 0.720 5.248 4.527 0.003 0.000 0.309 274 F C -1.514 173.997 175.800 -0.481 0.000 1.098 274 F CA -1.757 56.012 58.000 -0.384 0.000 0.937 274 F CB 0.404 39.229 39.000 -0.292 0.000 1.250 274 F HN 0.003 nan 8.300 nan 0.000 0.447 275 W N 1.658 122.934 121.300 -0.041 0.000 2.739 275 W HA 0.582 5.243 4.660 0.002 0.000 0.331 275 W C -0.009 176.551 176.519 0.068 0.000 1.049 275 W CA -0.942 56.420 57.345 0.029 0.000 1.234 275 W CB 2.327 31.767 29.460 -0.033 0.000 1.404 275 W HN 0.803 nan 8.180 nan 0.000 0.477 276 S N 1.606 117.511 115.700 0.342 0.000 2.549 276 S HA -0.050 4.422 4.470 0.003 0.000 0.286 276 S C 1.385 176.136 174.600 0.252 0.000 1.314 276 S CA -0.236 58.118 58.200 0.257 0.000 1.062 276 S CB 0.856 64.200 63.200 0.240 0.000 0.865 276 S HN 0.605 nan 8.310 nan 0.000 0.498 277 V N 2.197 122.228 119.914 0.196 0.000 2.453 277 V HA -0.176 3.946 4.120 0.003 0.000 0.252 277 V C 1.792 177.969 176.094 0.138 0.000 1.068 277 V CA 2.110 64.510 62.300 0.168 0.000 1.070 277 V CB -1.345 30.557 31.823 0.133 0.000 0.664 277 V HN 0.894 nan 8.190 nan 0.000 0.461 278 S N 0.046 115.834 115.700 0.147 0.000 2.603 278 S HA 0.325 4.796 4.470 0.003 0.000 0.220 278 S C 0.737 175.427 174.600 0.150 0.000 0.967 278 S CA 0.099 58.376 58.200 0.128 0.000 0.920 278 S CB -0.785 62.494 63.200 0.132 0.000 0.773 278 S HN 0.628 nan 8.310 nan 0.000 0.529 279 I N 4.189 124.872 120.570 0.188 0.000 2.312 279 I HA 0.292 4.464 4.170 0.003 0.000 0.291 279 I C -2.299 173.856 176.117 0.062 0.000 1.031 279 I CA -2.592 58.818 61.300 0.184 0.000 1.293 279 I CB 0.950 39.136 38.000 0.310 0.000 1.403 279 I HN -0.017 nan 8.210 nan 0.000 0.484 280 P HA 0.004 nan 4.420 nan 0.000 0.269 280 P C 0.404 177.595 177.300 -0.181 0.000 1.215 280 P CA 0.200 63.226 63.100 -0.123 0.000 0.780 280 P CB 0.522 32.132 31.700 -0.151 0.000 0.898 281 H N 0.635 119.525 119.070 -0.299 0.000 2.387 281 H HA -0.178 4.380 4.556 0.003 0.000 0.299 281 H C 1.513 176.600 175.328 -0.401 0.000 1.099 281 H CA 1.293 57.194 56.048 -0.246 0.000 1.315 281 H CB 0.085 29.807 29.762 -0.068 0.000 1.380 281 H HN 0.522 nan 8.280 nan 0.000 0.513 282 E N 0.408 120.265 120.200 -0.572 0.000 2.110 282 E HA -0.158 4.193 4.350 0.003 0.000 0.193 282 E C 2.219 178.365 176.600 -0.756 0.000 0.988 282 E CA 0.707 56.598 56.400 -0.848 0.000 0.804 282 E CB 0.035 28.712 29.700 -1.705 0.000 0.745 282 E HN 0.185 nan 8.360 nan 0.000 0.458 283 R N 1.151 121.195 120.500 -0.760 0.000 2.092 283 R HA 0.023 4.365 4.340 0.003 0.000 0.231 283 R C 1.829 177.842 176.300 -0.478 0.000 1.119 283 R CA 1.385 57.239 56.100 -0.410 0.000 0.970 283 R CB -0.073 30.128 30.300 -0.165 0.000 0.864 283 R HN 0.058 nan 8.270 nan 0.000 0.440 284 R N -0.072 120.076 120.500 -0.587 0.000 2.073 284 R HA -0.070 4.271 4.340 0.003 0.000 0.234 284 R C 2.107 178.031 176.300 -0.626 0.000 1.134 284 R CA 1.552 57.073 56.100 -0.966 0.000 0.952 284 R CB -0.493 29.059 30.300 -1.248 0.000 0.850 284 R HN 0.180 nan 8.270 nan 0.000 0.433 285 I N 1.169 121.491 120.570 -0.412 0.000 2.179 285 I HA -0.241 3.930 4.170 0.003 0.000 0.242 285 I C 2.369 178.318 176.117 -0.280 0.000 1.088 285 I CA 1.476 62.581 61.300 -0.324 0.000 1.357 285 I CB -0.959 36.847 38.000 -0.322 0.000 1.051 285 I HN 0.199 nan 8.210 nan 0.000 0.409 286 L N 0.024 121.082 121.223 -0.274 0.000 2.083 286 L HA -0.214 4.127 4.340 0.003 0.000 0.209 286 L C 2.527 179.234 176.870 -0.271 0.000 1.083 286 L CA 1.365 56.087 54.840 -0.196 0.000 0.752 286 L CB -0.817 41.179 42.059 -0.105 0.000 0.899 286 L HN 0.242 nan 8.230 nan 0.000 0.433 287 T N 0.056 114.345 114.554 -0.442 0.000 2.737 287 T HA -0.143 4.208 4.350 0.003 0.000 0.265 287 T C 1.902 176.172 174.700 -0.717 0.000 1.038 287 T CA 1.346 63.018 62.100 -0.714 0.000 1.144 287 T CB -0.189 68.062 68.868 -1.029 0.000 0.866 287 T HN 0.172 nan 8.240 nan 0.000 0.434 288 I N 0.793 121.122 120.570 -0.401 0.000 2.163 288 I HA -0.172 4.000 4.170 0.003 0.000 0.243 288 I C 2.230 178.295 176.117 -0.087 0.000 1.085 288 I CA 1.288 62.545 61.300 -0.072 0.000 1.347 288 I CB -0.390 37.613 38.000 0.005 0.000 1.044 288 I HN 0.194 nan 8.210 nan 0.000 0.408 289 L N -0.178 120.965 121.223 -0.134 0.000 2.083 289 L HA -0.240 4.101 4.340 0.003 0.000 0.209 289 L C 2.632 179.501 176.870 -0.001 0.000 1.083 289 L CA 1.193 55.989 54.840 -0.073 0.000 0.752 289 L CB -0.522 41.493 42.059 -0.075 0.000 0.899 289 L HN 0.281 nan 8.230 nan 0.000 0.433 290 Q N -0.356 119.420 119.800 -0.040 0.000 2.050 290 Q HA -0.215 4.127 4.340 0.003 0.000 0.202 290 Q C 2.047 178.166 176.000 0.198 0.000 0.980 290 Q CA 1.823 57.646 55.803 0.033 0.000 0.840 290 Q CB -0.213 28.502 28.738 -0.038 0.000 0.898 290 Q HN 0.362 nan 8.270 nan 0.000 0.424 291 W N 0.347 121.734 121.300 0.147 0.000 2.342 291 W HA -0.118 4.543 4.660 0.002 0.000 0.297 291 W C 1.816 178.468 176.519 0.221 0.000 1.213 291 W CA 0.716 58.194 57.345 0.221 0.000 1.251 291 W CB -0.863 28.824 29.460 0.378 0.000 1.136 291 W HN 0.253 nan 8.180 nan 0.000 0.526 292 L N 0.105 121.542 121.223 0.356 0.000 2.362 292 L HA -0.140 4.202 4.340 0.003 0.000 0.219 292 L C 1.880 178.918 176.870 0.280 0.000 1.134 292 L CA 0.945 55.947 54.840 0.270 0.000 0.807 292 L CB -0.531 41.582 42.059 0.091 0.000 0.927 292 L HN -0.200 nan 8.230 nan 0.000 0.447 293 S N -0.602 115.233 115.700 0.225 0.000 2.575 293 S HA 0.224 4.696 4.470 0.003 0.000 0.215 293 S C 0.764 175.466 174.600 0.169 0.000 0.966 293 S CA -0.244 58.069 58.200 0.188 0.000 0.911 293 S CB 0.006 63.288 63.200 0.136 0.000 0.780 293 S HN 0.148 nan 8.310 nan 0.000 0.514 294 L N 2.033 123.368 121.223 0.186 0.000 2.472 294 L HA 0.237 4.578 4.340 0.003 0.000 0.260 294 L C -2.176 174.746 176.870 0.087 0.000 1.209 294 L CA -2.055 52.872 54.840 0.145 0.000 0.817 294 L CB -0.371 41.787 42.059 0.165 0.000 1.106 294 L HN -0.066 nan 8.230 nan 0.000 0.479 295 P HA -0.041 nan 4.420 nan 0.000 0.265 295 P C -0.130 177.165 177.300 -0.009 0.000 1.187 295 P CA -0.030 63.088 63.100 0.031 0.000 0.766 295 P CB 0.379 32.097 31.700 0.029 0.000 0.820 296 D N 1.832 122.211 120.400 -0.035 0.000 2.220 296 D HA -0.206 4.436 4.640 0.003 0.000 0.198 296 D C 1.286 177.545 176.300 -0.069 0.000 1.001 296 D CA 1.542 55.490 54.000 -0.087 0.000 0.875 296 D CB -0.412 40.351 40.800 -0.062 0.000 0.921 296 D HN 0.521 nan 8.370 nan 0.000 0.454 297 N N 0.052 118.731 118.700 -0.036 0.000 2.398 297 N HA -0.071 4.671 4.740 0.003 0.000 0.188 297 N C 0.861 176.352 175.510 -0.032 0.000 1.122 297 N CA 0.391 53.422 53.050 -0.032 0.000 0.866 297 N CB 0.018 38.494 38.487 -0.018 0.000 0.970 297 N HN 0.259 nan 8.380 nan 0.000 0.462 298 E N -0.521 119.663 120.200 -0.026 0.000 2.453 298 E HA 0.117 4.468 4.350 0.003 0.000 0.211 298 E C 0.095 176.673 176.600 -0.036 0.000 0.897 298 E CA -0.463 55.922 56.400 -0.025 0.000 1.063 298 E CB 0.865 30.570 29.700 0.008 0.000 1.080 298 E HN 0.170 nan 8.360 nan 0.000 0.512 299 R N 2.849 123.332 120.500 -0.028 0.000 2.484 299 R HA 0.087 4.429 4.340 0.003 0.000 0.293 299 R C -2.430 173.853 176.300 -0.029 0.000 1.023 299 R CA -1.406 54.699 56.100 0.009 0.000 1.037 299 R CB 0.294 30.568 30.300 -0.044 0.000 0.951 299 R HN -0.182 nan 8.270 nan 0.000 0.418 300 P HA 0.087 nan 4.420 nan 0.000 0.272 300 P C -0.412 176.810 177.300 -0.131 0.000 1.230 300 P CA -0.191 62.769 63.100 -0.234 0.000 0.788 300 P CB 1.108 32.442 31.700 -0.609 0.000 0.949 301 S N -0.558 115.063 115.700 -0.132 0.000 2.492 301 S HA 0.127 4.599 4.470 0.003 0.000 0.218 301 S C 0.556 175.196 174.600 0.067 0.000 1.016 301 S CA 0.012 58.233 58.200 0.035 0.000 0.916 301 S CB 0.223 63.440 63.200 0.028 0.000 0.791 301 S HN 0.343 nan 8.310 nan 0.000 0.513 302 V N 1.357 121.189 119.914 -0.135 0.000 2.656 302 V HA 0.663 4.785 4.120 0.003 0.000 0.307 302 V C -2.142 173.823 176.094 -0.216 0.000 1.051 302 V CA -0.775 61.551 62.300 0.042 0.000 0.893 302 V CB 1.627 33.581 31.823 0.217 0.000 0.999 302 V HN 0.332 nan 8.190 nan 0.000 0.426 303 Y N 3.663 124.050 120.300 0.145 0.000 2.553 303 Y HA 0.858 5.410 4.550 0.003 0.000 0.347 303 Y C 0.166 175.991 175.900 -0.125 0.000 1.019 303 Y CA -0.409 57.741 58.100 0.084 0.000 1.032 303 Y CB 2.493 41.083 38.460 0.217 0.000 1.284 303 Y HN 0.848 nan 8.280 nan 0.000 0.466 304 A N 2.432 125.197 122.820 -0.091 0.000 2.393 304 A HA 0.740 5.062 4.320 0.003 0.000 0.306 304 A C -2.097 175.644 177.584 0.260 0.000 1.050 304 A CA -0.571 51.373 52.037 -0.155 0.000 0.724 304 A CB 0.894 19.427 19.000 -0.777 0.000 1.248 304 A HN 0.648 nan 8.150 nan 0.000 0.424 305 F N 2.231 122.171 119.950 -0.016 0.000 2.508 305 F HA 0.736 5.265 4.527 0.004 0.000 0.325 305 F C -1.223 174.410 175.800 -0.280 0.000 1.090 305 F CA -0.838 57.022 58.000 -0.234 0.000 0.945 305 F CB 1.549 40.178 39.000 -0.618 0.000 1.156 305 F HN 0.646 nan 8.300 nan 0.000 0.463 306 Y N 4.079 123.541 120.300 -1.396 0.000 2.442 306 Y HA 0.578 5.129 4.550 0.003 0.000 0.344 306 Y C -1.345 173.737 175.900 -1.364 0.000 0.976 306 Y CA -0.720 56.799 58.100 -0.967 0.000 1.040 306 Y CB 1.803 40.050 38.460 -0.356 0.000 1.228 306 Y HN 0.635 nan 8.280 nan 0.000 0.451 307 S N 4.186 118.978 115.700 -1.513 0.000 2.500 307 S HA 0.251 4.722 4.470 0.003 0.000 0.301 307 S C 0.380 174.320 174.600 -1.099 0.000 1.092 307 S CA -0.561 56.968 58.200 -1.119 0.000 1.030 307 S CB 0.948 63.940 63.200 -0.347 0.000 1.031 307 S HN 0.856 nan 8.310 nan 0.000 0.483 308 E N 3.540 123.418 120.200 -0.536 0.000 2.481 308 E HA 0.043 4.395 4.350 0.003 0.000 0.195 308 E C -0.193 176.441 176.600 0.056 0.000 1.047 308 E CA 0.372 56.681 56.400 -0.151 0.000 0.867 308 E CB 0.073 29.854 29.700 0.134 0.000 0.858 308 E HN 0.568 nan 8.360 nan 0.000 0.513 309 Q N 1.193 121.033 119.800 0.067 0.000 2.205 309 Q HA 0.245 4.586 4.340 0.003 0.000 0.249 309 Q C -1.912 174.183 176.000 0.158 0.000 0.948 309 Q CA -2.028 53.867 55.803 0.153 0.000 0.895 309 Q CB 1.628 30.471 28.738 0.175 0.000 1.249 309 Q HN 0.028 nan 8.270 nan 0.000 0.458 310 P HA -0.001 nan 4.420 nan 0.000 0.256 310 P C 0.231 177.619 177.300 0.146 0.000 1.384 310 P CA 0.361 63.534 63.100 0.122 0.000 0.879 310 P CB 0.364 32.058 31.700 -0.009 0.000 1.403 311 D N 0.033 120.535 120.400 0.169 0.000 2.092 311 D HA -0.235 4.406 4.640 0.003 0.000 0.193 311 D C 1.596 178.057 176.300 0.267 0.000 0.994 311 D CA 1.171 55.283 54.000 0.186 0.000 0.828 311 D CB -0.650 40.310 40.800 0.268 0.000 0.963 311 D HN 0.020 nan 8.370 nan 0.000 0.450 312 F N 0.785 120.867 119.950 0.220 0.000 2.065 312 F HA -0.216 4.312 4.527 0.002 0.000 0.298 312 F C 2.470 178.363 175.800 0.154 0.000 1.112 312 F CA 1.872 60.003 58.000 0.219 0.000 1.212 312 F CB -0.530 38.551 39.000 0.134 0.000 0.975 312 F HN -0.088 nan 8.300 nan 0.000 0.476 313 S N 0.176 116.026 115.700 0.250 0.000 2.399 313 S HA -0.094 4.378 4.470 0.003 0.000 0.231 313 S C 2.262 176.895 174.600 0.055 0.000 1.022 313 S CA 0.972 59.268 58.200 0.160 0.000 0.983 313 S CB -1.128 62.250 63.200 0.298 0.000 0.803 313 S HN 0.651 nan 8.310 nan 0.000 0.480 314 G N 1.686 110.507 108.800 0.034 0.000 2.440 314 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 314 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 314 G C 1.187 176.045 174.900 -0.069 0.000 1.154 314 G CA 0.787 45.882 45.100 -0.009 0.000 0.767 314 G HN 0.503 nan 8.290 nan 0.000 0.552 315 H N 0.373 119.422 119.070 -0.034 0.000 2.352 315 H HA -0.056 4.502 4.556 0.003 0.000 0.299 315 H C 2.475 177.718 175.328 -0.142 0.000 1.097 315 H CA 1.647 57.657 56.048 -0.064 0.000 1.311 315 H CB -0.056 29.627 29.762 -0.132 0.000 1.377 315 H HN 0.416 nan 8.280 nan 0.000 0.504 316 K N 0.087 120.319 120.400 -0.280 0.000 2.057 316 K HA -0.135 4.187 4.320 0.003 0.000 0.206 316 K C 0.999 177.330 176.600 -0.447 0.000 1.050 316 K CA 1.345 57.314 56.287 -0.529 0.000 0.935 316 K CB 0.168 32.041 32.500 -1.045 0.000 0.715 316 K HN 0.174 nan 8.250 nan 0.000 0.439 317 Y N -0.645 119.647 120.300 -0.013 0.000 2.430 317 Y HA 0.325 4.877 4.550 0.003 0.000 0.248 317 Y C 0.646 176.549 175.900 0.005 0.000 1.108 317 Y CA 0.093 58.191 58.100 -0.003 0.000 1.264 317 Y CB 1.083 39.535 38.460 -0.013 0.000 1.172 317 Y HN 0.250 nan 8.280 nan 0.000 0.520 318 G N 1.503 110.373 108.800 0.117 0.000 2.758 318 G HA2 -0.182 3.779 3.960 0.003 0.000 0.686 318 G HA3 -0.182 3.779 3.960 0.003 0.000 0.686 318 G C -2.023 172.886 174.900 0.015 0.000 1.389 318 G CA -0.437 44.704 45.100 0.068 0.000 0.845 318 G HN 0.033 nan 8.290 nan 0.000 0.572 319 P HA 0.116 nan 4.420 nan 0.000 0.231 319 P C 1.007 178.098 177.300 -0.348 0.000 1.168 319 P CA 1.100 64.052 63.100 -0.248 0.000 0.779 319 P CB 0.025 31.390 31.700 -0.558 0.000 0.844 320 F N -0.127 119.884 119.950 0.101 0.000 2.653 320 F HA 0.379 4.907 4.527 0.002 0.000 0.304 320 F C 1.730 177.542 175.800 0.020 0.000 1.092 320 F CA -0.802 57.234 58.000 0.060 0.000 1.279 320 F CB -0.670 38.359 39.000 0.049 0.000 1.044 320 F HN -0.184 nan 8.300 nan 0.000 0.564 321 G N 2.363 111.238 108.800 0.125 0.000 2.414 321 G HA2 0.145 4.106 3.960 0.003 0.000 0.236 321 G HA3 0.145 4.106 3.960 0.003 0.000 0.236 321 G C -1.299 173.588 174.900 -0.021 0.000 1.293 321 G CA -0.724 44.409 45.100 0.056 0.000 0.869 321 G HN 0.018 nan 8.290 nan 0.000 0.556 322 P HA -0.053 nan 4.420 nan 0.000 0.225 322 P C 0.877 178.080 177.300 -0.162 0.000 1.148 322 P CA 0.862 63.910 63.100 -0.086 0.000 0.779 322 P CB 0.392 32.047 31.700 -0.076 0.000 0.780 323 E N -0.963 119.074 120.200 -0.272 0.000 2.478 323 E HA -0.022 4.329 4.350 0.003 0.000 0.198 323 E C 1.795 178.242 176.600 -0.256 0.000 1.046 323 E CA 0.689 56.826 56.400 -0.440 0.000 0.870 323 E CB -0.626 28.344 29.700 -1.216 0.000 0.818 323 E HN 0.185 nan 8.360 nan 0.000 0.527 324 M N -0.234 119.261 119.600 -0.176 0.000 2.492 324 M HA 0.013 4.495 4.480 0.003 0.000 0.262 324 M C 1.527 177.705 176.300 -0.204 0.000 1.090 324 M CA 1.014 56.202 55.300 -0.185 0.000 1.110 324 M CB -0.755 31.671 32.600 -0.291 0.000 1.407 324 M HN 0.058 nan 8.290 nan 0.000 0.470 325 T N 0.924 115.381 114.554 -0.161 0.000 2.708 325 T HA -0.169 4.183 4.350 0.003 0.000 0.266 325 T C 1.648 176.288 174.700 -0.099 0.000 1.037 325 T CA 1.987 64.010 62.100 -0.129 0.000 1.146 325 T CB -0.445 68.365 68.868 -0.097 0.000 0.865 325 T HN 0.443 nan 8.240 nan 0.000 0.435 326 N N 1.531 120.182 118.700 -0.083 0.000 2.069 326 N HA -0.082 4.660 4.740 0.003 0.000 0.191 326 N C -1.068 174.426 175.510 -0.026 0.000 1.031 326 N CA 1.303 54.324 53.050 -0.049 0.000 0.852 326 N CB -0.627 37.837 38.487 -0.039 0.000 1.018 326 N HN 0.239 nan 8.380 nan 0.000 0.423 327 P HA -0.093 nan 4.420 nan 0.000 0.217 327 P C 1.213 178.519 177.300 0.011 0.000 1.150 327 P CA 1.050 64.161 63.100 0.018 0.000 0.832 327 P CB -0.012 31.709 31.700 0.035 0.000 0.787 328 L N -1.171 120.018 121.223 -0.055 0.000 2.141 328 L HA -0.108 4.234 4.340 0.003 0.000 0.209 328 L C 2.631 179.509 176.870 0.014 0.000 1.094 328 L CA 1.339 56.158 54.840 -0.036 0.000 0.763 328 L CB -0.570 41.396 42.059 -0.155 0.000 0.908 328 L HN -0.086 nan 8.230 nan 0.000 0.437 329 R N 0.012 120.502 120.500 -0.017 0.000 2.096 329 R HA -0.148 4.194 4.340 0.003 0.000 0.235 329 R C 2.140 178.441 176.300 0.001 0.000 1.127 329 R CA 1.238 57.328 56.100 -0.016 0.000 0.968 329 R CB -0.192 30.089 30.300 -0.030 0.000 0.861 329 R HN 0.475 nan 8.270 nan 0.000 0.440 330 E N 0.564 120.776 120.200 0.020 0.000 2.072 330 E HA -0.157 4.194 4.350 0.003 0.000 0.191 330 E C 2.075 178.721 176.600 0.077 0.000 0.985 330 E CA 1.024 57.444 56.400 0.034 0.000 0.801 330 E CB -0.100 29.620 29.700 0.034 0.000 0.750 330 E HN 0.324 nan 8.360 nan 0.000 0.452 331 I N 1.361 122.011 120.570 0.134 0.000 2.208 331 I HA -0.274 3.898 4.170 0.003 0.000 0.245 331 I C 2.262 178.441 176.117 0.103 0.000 1.097 331 I CA 1.366 62.796 61.300 0.217 0.000 1.363 331 I CB -0.244 37.962 38.000 0.343 0.000 1.051 331 I HN 0.054 nan 8.210 nan 0.000 0.413 332 D N 0.938 121.362 120.400 0.040 0.000 2.144 332 D HA -0.253 4.388 4.640 0.003 0.000 0.199 332 D C 2.193 178.438 176.300 -0.093 0.000 0.984 332 D CA 1.329 55.291 54.000 -0.065 0.000 0.834 332 D CB 0.010 40.773 40.800 -0.061 0.000 0.955 332 D HN 0.137 nan 8.370 nan 0.000 0.465 333 K N -0.702 119.664 120.400 -0.056 0.000 2.057 333 K HA -0.138 4.183 4.320 0.003 0.000 0.207 333 K C 1.806 178.355 176.600 -0.085 0.000 1.049 333 K CA 1.668 57.913 56.287 -0.070 0.000 0.931 333 K CB -0.126 32.347 32.500 -0.045 0.000 0.714 333 K HN 0.079 nan 8.250 nan 0.000 0.440 334 T N 0.603 115.122 114.554 -0.057 0.000 2.708 334 T HA -0.111 4.240 4.350 0.003 0.000 0.266 334 T C 1.848 176.439 174.700 -0.183 0.000 1.037 334 T CA 1.427 63.471 62.100 -0.093 0.000 1.146 334 T CB -0.189 68.682 68.868 0.006 0.000 0.865 334 T HN 0.012 nan 8.240 nan 0.000 0.435 335 V N 1.481 121.233 119.914 -0.269 0.000 2.392 335 V HA -0.136 3.985 4.120 0.003 0.000 0.249 335 V C 2.817 178.694 176.094 -0.361 0.000 1.059 335 V CA 1.981 63.976 62.300 -0.508 0.000 1.051 335 V CB -1.294 30.115 31.823 -0.691 0.000 0.658 335 V HN 0.619 nan 8.190 nan 0.000 0.455 336 G N -1.408 107.257 108.800 -0.226 0.000 2.403 336 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 336 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 336 G C 1.476 176.308 174.900 -0.113 0.000 1.154 336 G CA 0.580 45.598 45.100 -0.135 0.000 0.784 336 G HN 0.523 nan 8.290 nan 0.000 0.538 337 Q N -0.636 119.091 119.800 -0.122 0.000 2.061 337 Q HA -0.099 4.242 4.340 0.003 0.000 0.204 337 Q C 2.468 178.381 176.000 -0.144 0.000 0.984 337 Q CA 1.338 57.081 55.803 -0.099 0.000 0.846 337 Q CB -0.279 28.391 28.738 -0.114 0.000 0.902 337 Q HN 0.439 nan 8.270 nan 0.000 0.421 338 L N -0.025 121.070 121.223 -0.213 0.000 2.046 338 L HA -0.172 4.170 4.340 0.003 0.000 0.208 338 L C 2.028 178.732 176.870 -0.278 0.000 1.077 338 L CA 1.699 56.399 54.840 -0.233 0.000 0.747 338 L CB -0.303 41.612 42.059 -0.239 0.000 0.896 338 L HN 0.213 nan 8.230 nan 0.000 0.432 339 M N -0.734 118.628 119.600 -0.398 0.000 2.132 339 M HA -0.139 4.342 4.480 0.003 0.000 0.263 339 M C 1.960 178.071 176.300 -0.316 0.000 1.065 339 M CA 1.293 56.231 55.300 -0.604 0.000 1.122 339 M CB -1.484 30.367 32.600 -1.248 0.000 1.365 339 M HN 0.242 nan 8.290 nan 0.000 0.411 340 D N 0.420 120.749 120.400 -0.120 0.000 2.123 340 D HA -0.095 4.546 4.640 0.003 0.000 0.196 340 D C 2.104 178.378 176.300 -0.044 0.000 0.992 340 D CA 1.709 55.703 54.000 -0.011 0.000 0.833 340 D CB -0.627 40.213 40.800 0.067 0.000 0.954 340 D HN 0.446 nan 8.370 nan 0.000 0.455 341 G N 0.665 109.425 108.800 -0.066 0.000 2.440 341 G HA2 -0.212 3.749 3.960 0.003 0.000 0.218 341 G HA3 -0.212 3.749 3.960 0.003 0.000 0.218 341 G C 1.771 176.641 174.900 -0.051 0.000 1.154 341 G CA 0.403 45.472 45.100 -0.051 0.000 0.767 341 G HN 0.263 nan 8.290 nan 0.000 0.552 342 L N -0.062 121.106 121.223 -0.091 0.000 2.093 342 L HA -0.010 4.331 4.340 0.003 0.000 0.208 342 L C 2.823 179.707 176.870 0.023 0.000 1.085 342 L CA 1.351 56.159 54.840 -0.053 0.000 0.755 342 L CB -0.333 41.670 42.059 -0.093 0.000 0.904 342 L HN 0.211 nan 8.230 nan 0.000 0.435 343 K N 0.124 120.506 120.400 -0.031 0.000 2.057 343 K HA -0.216 4.106 4.320 0.003 0.000 0.207 343 K C 2.127 178.720 176.600 -0.012 0.000 1.049 343 K CA 1.388 57.612 56.287 -0.104 0.000 0.931 343 K CB -0.015 32.312 32.500 -0.289 0.000 0.714 343 K HN 0.332 nan 8.250 nan 0.000 0.440 344 Q N 0.079 119.875 119.800 -0.007 0.000 2.197 344 Q HA -0.151 4.191 4.340 0.003 0.000 0.207 344 Q C 1.744 177.775 176.000 0.051 0.000 0.984 344 Q CA 1.241 57.063 55.803 0.031 0.000 0.869 344 Q CB 0.016 28.787 28.738 0.055 0.000 0.906 344 Q HN 0.386 nan 8.270 nan 0.000 0.426 345 L N -0.071 121.179 121.223 0.046 0.000 2.607 345 L HA 0.086 4.427 4.340 0.003 0.000 0.228 345 L C -0.008 176.881 176.870 0.032 0.000 1.123 345 L CA 0.065 54.931 54.840 0.043 0.000 0.890 345 L CB 0.163 42.242 42.059 0.033 0.000 1.103 345 L HN 0.136 nan 8.230 nan 0.000 0.468 346 K N 0.040 120.491 120.400 0.085 0.000 3.117 346 K HA -0.186 4.135 4.320 0.003 0.000 0.269 346 K C 0.501 177.102 176.600 0.003 0.000 1.098 346 K CA 0.337 56.687 56.287 0.104 0.000 0.785 346 K CB -1.778 30.744 32.500 0.036 0.000 1.242 346 K HN 0.330 nan 8.250 nan 0.000 0.491 347 L N -0.727 120.521 121.223 0.042 0.000 2.858 347 L HA 0.092 4.434 4.340 0.003 0.000 0.251 347 L C 1.864 178.720 176.870 -0.023 0.000 1.149 347 L CA 0.049 54.840 54.840 -0.081 0.000 0.955 347 L CB -0.054 41.952 42.059 -0.088 0.000 1.289 347 L HN 0.410 nan 8.230 nan 0.000 0.542 348 H N -1.091 117.969 119.070 -0.016 0.000 2.546 348 H HA 0.041 4.597 4.556 0.000 0.000 0.277 348 H C 1.530 176.942 175.328 0.140 0.000 1.004 348 H CA 0.498 56.567 56.048 0.035 0.000 1.231 348 H CB -0.050 29.763 29.762 0.086 0.000 1.382 348 H HN 0.119 nan 8.280 nan 0.000 0.580 349 R N -0.311 119.980 120.500 -0.348 0.000 2.629 349 R HA 0.240 4.582 4.340 0.003 0.000 0.386 349 R C 0.230 176.446 176.300 -0.139 0.000 1.071 349 R CA 0.253 56.225 56.100 -0.214 0.000 1.104 349 R CB 0.503 30.616 30.300 -0.312 0.000 1.370 349 R HN 0.456 nan 8.270 nan 0.000 0.574 350 c N -0.916 117.621 118.600 -0.106 0.000 2.426 350 c HA 0.331 4.903 4.570 0.003 0.000 0.436 350 c C 0.783 174.875 174.090 0.003 0.000 1.380 350 c CA -0.003 56.276 56.329 -0.084 0.000 2.446 350 c CB 0.245 42.642 42.510 -0.188 0.000 2.794 350 c HN 0.067 nan 8.230 nan 0.000 0.559 351 V N 3.930 123.865 119.914 0.034 0.000 2.732 351 V HA 0.287 4.408 4.120 0.003 0.000 0.297 351 V C -0.385 175.799 176.094 0.150 0.000 1.060 351 V CA 0.046 62.408 62.300 0.104 0.000 1.038 351 V CB 1.011 32.886 31.823 0.087 0.000 1.003 351 V HN 0.484 nan 8.190 nan 0.000 0.481 352 N N 2.422 121.237 118.700 0.193 0.000 2.426 352 N HA 0.417 5.159 4.740 0.003 0.000 0.275 352 N C -0.856 174.839 175.510 0.308 0.000 1.019 352 N CA -0.216 53.003 53.050 0.282 0.000 0.941 352 N CB 1.977 40.624 38.487 0.267 0.000 1.123 352 N HN 0.370 nan 8.380 nan 0.000 0.486 353 V N 3.788 123.895 119.914 0.321 0.000 2.417 353 V HA 0.476 4.598 4.120 0.003 0.000 0.291 353 V C 0.373 176.575 176.094 0.180 0.000 1.024 353 V CA -0.679 61.755 62.300 0.223 0.000 0.861 353 V CB 1.502 33.390 31.823 0.109 0.000 0.985 353 V HN 0.485 nan 8.190 nan 0.000 0.436 354 I N 4.944 125.632 120.570 0.198 0.000 2.362 354 I HA 0.407 4.579 4.170 0.003 0.000 0.289 354 I C -0.987 175.204 176.117 0.122 0.000 0.994 354 I CA -0.376 60.986 61.300 0.104 0.000 1.158 354 I CB 1.566 39.736 38.000 0.283 0.000 1.315 354 I HN 0.553 nan 8.210 nan 0.000 0.451 355 F N 8.452 128.284 119.950 -0.197 0.000 2.388 355 F HA 0.686 5.215 4.527 0.004 0.000 0.358 355 F C -0.893 174.823 175.800 -0.140 0.000 1.122 355 F CA -0.521 57.389 58.000 -0.149 0.000 1.056 355 F CB 1.120 39.931 39.000 -0.314 0.000 1.155 355 F HN 0.145 nan 8.300 nan 0.000 0.461 356 V N 5.858 125.527 119.914 -0.409 0.000 2.851 356 V HA 0.827 4.948 4.120 0.003 0.000 0.307 356 V C -0.506 175.456 176.094 -0.221 0.000 1.129 356 V CA -0.196 62.013 62.300 -0.152 0.000 0.932 356 V CB 1.741 33.645 31.823 0.136 0.000 1.024 356 V HN 0.920 nan 8.190 nan 0.000 0.426 357 G N 2.930 111.654 108.800 -0.126 0.000 2.462 357 G HA2 0.497 4.459 3.960 0.003 0.000 0.319 357 G HA3 0.497 4.459 3.960 0.003 0.000 0.319 357 G C 0.270 175.165 174.900 -0.009 0.000 1.171 357 G CA 0.283 45.337 45.100 -0.078 0.000 0.920 357 G HN 0.882 nan 8.290 nan 0.000 0.499 358 D N -1.791 118.571 120.400 -0.064 0.000 2.277 358 D HA 0.090 4.732 4.640 0.003 0.000 0.209 358 D C 0.698 177.015 176.300 0.028 0.000 0.970 358 D CA 1.046 55.044 54.000 -0.002 0.000 0.874 358 D CB -0.021 40.818 40.800 0.065 0.000 0.982 358 D HN 0.652 nan 8.370 nan 0.000 0.504 359 H N -3.779 115.311 119.070 0.033 0.000 2.876 359 H HA 0.594 5.152 4.556 0.003 0.000 0.284 359 H C 0.148 175.445 175.328 -0.052 0.000 1.445 359 H CA -0.860 55.186 56.048 -0.002 0.000 1.141 359 H CB 0.832 30.570 29.762 -0.040 0.000 1.816 359 H HN 0.029 nan 8.280 nan 0.000 0.511 360 G N -0.551 108.347 108.800 0.163 0.000 2.630 360 G HA2 0.530 4.492 3.960 0.003 0.000 0.223 360 G HA3 0.530 4.492 3.960 0.003 0.000 0.223 360 G C -0.840 174.119 174.900 0.099 0.000 1.434 360 G CA -0.424 44.698 45.100 0.038 0.000 1.057 360 G HN 0.749 nan 8.290 nan 0.000 0.570 361 M N -1.020 118.581 119.600 0.001 0.000 2.365 361 M HA 0.543 5.025 4.480 0.003 0.000 0.288 361 M C -1.595 174.708 176.300 0.005 0.000 1.152 361 M CA -0.586 54.731 55.300 0.028 0.000 0.948 361 M CB 2.351 34.928 32.600 -0.039 0.000 1.729 361 M HN 0.576 nan 8.290 nan 0.000 0.487 362 E N 1.472 121.733 120.200 0.102 0.000 2.299 362 E HA 0.480 4.831 4.350 0.003 0.000 0.265 362 E C -1.472 175.184 176.600 0.093 0.000 0.911 362 E CA -0.406 56.062 56.400 0.114 0.000 0.789 362 E CB 1.448 31.305 29.700 0.261 0.000 1.246 362 E HN 0.642 nan 8.360 nan 0.000 0.427 363 D N 1.754 122.211 120.400 0.094 0.000 2.346 363 D HA 0.212 4.854 4.640 0.003 0.000 0.260 363 D C -0.759 175.567 176.300 0.044 0.000 1.252 363 D CA 0.293 54.345 54.000 0.087 0.000 0.895 363 D CB 0.676 41.555 40.800 0.131 0.000 1.097 363 D HN 0.085 nan 8.370 nan 0.000 0.489 364 V N 2.654 122.598 119.914 0.051 0.000 2.524 364 V HA 0.330 4.451 4.120 0.003 0.000 0.297 364 V C 0.390 176.525 176.094 0.068 0.000 1.035 364 V CA -0.779 61.515 62.300 -0.009 0.000 0.867 364 V CB 1.950 33.736 31.823 -0.061 0.000 1.004 364 V HN 0.591 nan 8.190 nan 0.000 0.426 365 T N -0.305 114.161 114.554 -0.146 0.000 2.930 365 T HA 0.326 4.678 4.350 0.003 0.000 0.290 365 T C 1.170 175.650 174.700 -0.367 0.000 1.052 365 T CA -0.387 61.476 62.100 -0.395 0.000 1.017 365 T CB 1.518 70.190 68.868 -0.326 0.000 1.137 365 T HN 0.489 nan 8.240 nan 0.000 0.511 366 c N 0.679 118.926 118.600 -0.589 0.000 2.403 366 c HA -0.093 4.479 4.570 0.003 0.000 0.277 366 c C 2.316 176.344 174.090 -0.103 0.000 1.248 366 c CA 0.918 57.136 56.329 -0.185 0.000 1.762 366 c CB -1.309 41.075 42.510 -0.209 0.000 2.014 366 c HN 0.879 nan 8.230 nan 0.000 0.486 367 D N 0.183 120.471 120.400 -0.187 0.000 2.309 367 D HA -0.061 4.580 4.640 0.003 0.000 0.212 367 D C 1.263 177.391 176.300 -0.287 0.000 0.968 367 D CA 0.971 54.875 54.000 -0.160 0.000 0.882 367 D CB -0.286 40.416 40.800 -0.163 0.000 0.918 367 D HN 0.576 nan 8.370 nan 0.000 0.503 368 R N 0.274 120.471 120.500 -0.506 0.000 3.057 368 R HA 0.265 4.607 4.340 0.003 0.000 0.291 368 R C -0.608 175.332 176.300 -0.599 0.000 1.394 368 R CA -0.095 55.258 56.100 -1.246 0.000 1.630 368 R CB 0.746 29.926 30.300 -1.867 0.000 1.268 368 R HN -0.156 nan 8.270 nan 0.000 0.621 369 T N 0.891 115.407 114.554 -0.064 0.000 2.809 369 T HA 0.213 4.564 4.350 0.003 0.000 0.284 369 T C -0.240 174.464 174.700 0.008 0.000 0.992 369 T CA -0.755 61.362 62.100 0.029 0.000 0.957 369 T CB 2.105 70.833 68.868 -0.233 0.000 0.942 369 T HN 0.143 nan 8.240 nan 0.000 0.439 370 E N 2.302 122.602 120.200 0.168 0.000 2.331 370 E HA 0.322 4.674 4.350 0.003 0.000 0.272 370 E C -0.852 175.603 176.600 -0.242 0.000 1.036 370 E CA -0.107 56.370 56.400 0.128 0.000 0.864 370 E CB 0.943 30.855 29.700 0.352 0.000 1.035 370 E HN 0.442 nan 8.360 nan 0.000 0.408 371 F N 1.720 121.844 119.950 0.290 0.000 2.458 371 F HA 0.205 4.734 4.527 0.003 0.000 0.336 371 F C 1.496 177.442 175.800 0.243 0.000 1.114 371 F CA -0.626 57.487 58.000 0.189 0.000 0.987 371 F CB 0.926 40.019 39.000 0.156 0.000 1.130 371 F HN 0.321 nan 8.300 nan 0.000 0.458 372 L N 1.266 122.647 121.223 0.264 0.000 2.131 372 L HA -0.174 4.168 4.340 0.003 0.000 0.210 372 L C 2.355 179.413 176.870 0.312 0.000 1.092 372 L CA 1.360 56.330 54.840 0.216 0.000 0.759 372 L CB -0.590 41.496 42.059 0.045 0.000 0.903 372 L HN 0.792 nan 8.230 nan 0.000 0.435 373 S N -0.581 115.273 115.700 0.257 0.000 2.440 373 S HA -0.226 4.246 4.470 0.003 0.000 0.238 373 S C 1.411 176.112 174.600 0.170 0.000 1.010 373 S CA 1.632 59.935 58.200 0.173 0.000 0.972 373 S CB -0.830 62.431 63.200 0.101 0.000 0.774 373 S HN 0.557 nan 8.310 nan 0.000 0.501 374 N N -0.449 118.398 118.700 0.246 0.000 2.515 374 N HA 0.081 4.823 4.740 0.003 0.000 0.185 374 N C 0.550 176.019 175.510 -0.067 0.000 1.109 374 N CA 0.914 54.010 53.050 0.076 0.000 0.903 374 N CB -0.040 38.466 38.487 0.032 0.000 0.969 374 N HN 0.528 nan 8.380 nan 0.000 0.450 375 Y N -0.344 120.021 120.300 0.109 0.000 2.512 375 Y HA 0.365 4.917 4.550 0.003 0.000 0.268 375 Y C 0.111 176.051 175.900 0.065 0.000 1.102 375 Y CA -0.199 57.958 58.100 0.094 0.000 1.261 375 Y CB 0.815 39.363 38.460 0.147 0.000 1.250 375 Y HN -0.156 nan 8.280 nan 0.000 0.506 376 L N -0.613 120.745 121.223 0.226 0.000 2.362 376 L HA 0.393 4.734 4.340 0.003 0.000 0.271 376 L C 0.849 177.774 176.870 0.091 0.000 1.002 376 L CA -0.401 54.521 54.840 0.136 0.000 0.818 376 L CB 2.063 44.195 42.059 0.122 0.000 1.298 376 L HN -0.133 nan 8.230 nan 0.000 0.420 377 T N -0.247 114.344 114.554 0.062 0.000 2.812 377 T HA -0.052 4.300 4.350 0.003 0.000 0.264 377 T C 0.619 175.343 174.700 0.039 0.000 1.042 377 T CA 1.421 63.547 62.100 0.042 0.000 1.140 377 T CB -0.177 68.708 68.868 0.029 0.000 0.870 377 T HN 0.519 nan 8.240 nan 0.000 0.445 378 N N 1.278 120.003 118.700 0.043 0.000 2.841 378 N HA 0.271 5.013 4.740 0.003 0.000 0.257 378 N C 0.828 176.364 175.510 0.044 0.000 1.396 378 N CA -0.224 52.849 53.050 0.038 0.000 0.823 378 N CB 1.546 40.052 38.487 0.032 0.000 1.162 378 N HN 0.065 nan 8.380 nan 0.000 0.503 379 V N -2.177 117.764 119.914 0.047 0.000 3.141 379 V HA -0.062 4.059 4.120 0.003 0.000 0.265 379 V C 1.040 177.152 176.094 0.031 0.000 1.126 379 V CA 1.201 63.529 62.300 0.047 0.000 1.141 379 V CB -0.108 31.749 31.823 0.057 0.000 0.743 379 V HN 0.374 nan 8.190 nan 0.000 0.492 380 D N 0.983 121.397 120.400 0.023 0.000 2.348 380 D HA -0.058 4.584 4.640 0.003 0.000 0.216 380 D C 1.283 177.588 176.300 0.008 0.000 0.970 380 D CA 1.067 55.074 54.000 0.011 0.000 0.889 380 D CB -0.011 40.793 40.800 0.007 0.000 0.912 380 D HN 0.544 nan 8.370 nan 0.000 0.524 381 D N 0.219 120.631 120.400 0.020 0.000 2.349 381 D HA 0.098 4.740 4.640 0.003 0.000 0.214 381 D C 1.033 177.342 176.300 0.016 0.000 1.063 381 D CA 0.008 54.020 54.000 0.020 0.000 0.847 381 D CB 0.886 41.711 40.800 0.042 0.000 0.933 381 D HN 0.391 nan 8.370 nan 0.000 0.513 382 I N -2.421 118.158 120.570 0.015 0.000 2.693 382 I HA 0.480 4.652 4.170 0.003 0.000 0.303 382 I C -0.364 175.729 176.117 -0.040 0.000 1.025 382 I CA -0.706 60.590 61.300 -0.006 0.000 1.086 382 I CB 2.287 40.317 38.000 0.051 0.000 1.268 382 I HN -0.429 nan 8.210 nan 0.000 0.440 383 T N 5.331 119.838 114.554 -0.079 0.000 2.794 383 T HA 0.587 4.939 4.350 0.003 0.000 0.280 383 T C -0.751 173.909 174.700 -0.067 0.000 0.987 383 T CA -0.309 61.743 62.100 -0.079 0.000 0.993 383 T CB 1.396 70.192 68.868 -0.119 0.000 0.939 383 T HN 0.499 nan 8.240 nan 0.000 0.449 384 L N 4.988 126.176 121.223 -0.058 0.000 2.349 384 L HA 0.592 4.934 4.340 0.003 0.000 0.278 384 L C -0.735 176.090 176.870 -0.075 0.000 0.996 384 L CA -0.626 54.174 54.840 -0.068 0.000 0.825 384 L CB 1.383 43.397 42.059 -0.074 0.000 1.243 384 L HN 0.407 nan 8.230 nan 0.000 0.412 385 V N 8.166 128.036 119.914 -0.074 0.000 2.421 385 V HA 0.338 4.460 4.120 0.003 0.000 0.271 385 V C -1.821 174.196 176.094 -0.128 0.000 1.031 385 V CA -0.664 61.587 62.300 -0.082 0.000 1.032 385 V CB -0.009 31.782 31.823 -0.054 0.000 1.009 385 V HN 0.740 nan 8.190 nan 0.000 0.477 386 P HA 0.803 nan 4.420 nan 0.000 0.309 386 P C 0.309 177.451 177.300 -0.263 0.000 1.302 386 P CA 0.278 63.259 63.100 -0.198 0.000 0.835 386 P CB 2.594 34.180 31.700 -0.190 0.000 1.324 387 G N -0.313 108.302 108.800 -0.308 0.000 2.964 387 G HA2 -0.203 3.759 3.960 0.003 0.000 0.229 387 G HA3 -0.203 3.759 3.960 0.003 0.000 0.229 387 G C 0.684 175.508 174.900 -0.126 0.000 1.395 387 G CA 0.449 45.280 45.100 -0.448 0.000 1.060 387 G HN 0.706 nan 8.290 nan 0.000 0.568 388 T N 0.532 114.960 114.554 -0.210 0.000 3.107 388 T HA 0.560 4.912 4.350 0.003 0.000 0.249 388 T C 0.857 175.430 174.700 -0.213 0.000 1.096 388 T CA 1.317 63.186 62.100 -0.385 0.000 1.012 388 T CB -0.599 67.644 68.868 -1.043 0.000 0.977 388 T HN 1.690 nan 8.240 nan 0.000 0.527 389 L N -3.797 117.342 121.223 -0.140 0.000 2.600 389 L HA 0.967 5.309 4.340 0.003 0.000 0.257 389 L C -0.776 175.991 176.870 -0.171 0.000 1.048 389 L CA -1.527 53.273 54.840 -0.067 0.000 0.869 389 L CB 1.570 43.599 42.059 -0.051 0.000 1.482 389 L HN -0.041 nan 8.230 nan 0.000 0.408 390 G N 0.560 109.183 108.800 -0.294 0.000 2.617 390 G HA2 0.743 4.705 3.960 0.003 0.000 0.306 390 G HA3 0.743 4.705 3.960 0.003 0.000 0.306 390 G C -1.452 173.226 174.900 -0.370 0.000 1.360 390 G CA -0.797 44.127 45.100 -0.292 0.000 0.983 390 G HN 0.578 nan 8.290 nan 0.000 0.496 391 R N 1.709 122.106 120.500 -0.172 0.000 2.561 391 R HA 0.524 4.866 4.340 0.003 0.000 0.297 391 R C -1.091 175.192 176.300 -0.029 0.000 0.969 391 R CA -0.742 55.329 56.100 -0.048 0.000 0.879 391 R CB 2.552 32.890 30.300 0.063 0.000 1.178 391 R HN 0.421 nan 8.270 nan 0.000 0.445 392 I N 3.454 124.031 120.570 0.012 0.000 2.509 392 I HA 0.513 4.685 4.170 0.003 0.000 0.293 392 I C -0.047 176.074 176.117 0.007 0.000 1.020 392 I CA -0.822 60.487 61.300 0.015 0.000 1.088 392 I CB 1.814 39.854 38.000 0.067 0.000 1.267 392 I HN 0.557 nan 8.210 nan 0.000 0.430 393 R N 5.354 125.787 120.500 -0.111 0.000 2.764 393 R HA 0.622 4.963 4.340 0.003 0.000 0.270 393 R C -3.176 172.854 176.300 -0.451 0.000 1.014 393 R CA -1.953 53.949 56.100 -0.332 0.000 0.904 393 R CB 1.443 31.610 30.300 -0.223 0.000 1.236 393 R HN 0.125 nan 8.270 nan 0.000 0.466 394 P HA -0.057 nan 4.420 nan 0.000 0.266 394 P C -0.277 176.868 177.300 -0.259 0.000 1.195 394 P CA -0.052 62.778 63.100 -0.449 0.000 0.768 394 P CB 1.141 32.572 31.700 -0.448 0.000 0.838 395 K N 3.159 123.466 120.400 -0.154 0.000 2.063 395 K HA -0.066 4.256 4.320 0.003 0.000 0.208 395 K C 0.649 177.166 176.600 -0.139 0.000 1.048 395 K CA 1.067 57.276 56.287 -0.129 0.000 0.928 395 K CB -0.087 32.369 32.500 -0.073 0.000 0.713 395 K HN 0.464 nan 8.250 nan 0.000 0.442 396 I N 3.212 123.717 120.570 -0.109 0.000 2.312 396 I HA 0.154 4.325 4.170 0.003 0.000 0.291 396 I C -2.261 173.790 176.117 -0.110 0.000 1.031 396 I CA -2.554 58.693 61.300 -0.089 0.000 1.293 396 I CB 1.267 39.241 38.000 -0.043 0.000 1.403 396 I HN -0.005 nan 8.210 nan 0.000 0.484 397 P HA -0.005 nan 4.420 nan 0.000 0.264 397 P C -0.149 177.129 177.300 -0.036 0.000 1.183 397 P CA 0.534 63.578 63.100 -0.095 0.000 0.763 397 P CB 0.163 31.851 31.700 -0.021 0.000 0.807 398 N N -1.021 117.659 118.700 -0.035 0.000 2.828 398 N HA -0.243 4.499 4.740 0.003 0.000 0.248 398 N C 0.075 175.592 175.510 0.011 0.000 1.044 398 N CA 0.097 53.149 53.050 0.003 0.000 0.851 398 N CB -1.629 36.874 38.487 0.026 0.000 1.136 398 N HN 0.505 nan 8.380 nan 0.000 0.572 399 N N 1.784 120.477 118.700 -0.011 0.000 2.374 399 N HA -0.062 4.680 4.740 0.003 0.000 0.269 399 N C 0.980 176.535 175.510 0.074 0.000 1.310 399 N CA 0.191 53.255 53.050 0.022 0.000 0.877 399 N CB 0.414 38.906 38.487 0.009 0.000 1.096 399 N HN 0.138 nan 8.380 nan 0.000 0.484 400 L N 3.393 124.654 121.223 0.063 0.000 2.275 400 L HA -0.044 4.297 4.340 0.003 0.000 0.215 400 L C 1.847 178.767 176.870 0.082 0.000 1.119 400 L CA 1.313 56.195 54.840 0.071 0.000 0.790 400 L CB -0.792 41.295 42.059 0.046 0.000 0.919 400 L HN 0.666 nan 8.230 nan 0.000 0.443 401 K N -1.125 119.326 120.400 0.084 0.000 2.444 401 K HA -0.068 4.254 4.320 0.003 0.000 0.193 401 K C 0.031 176.697 176.600 0.109 0.000 1.024 401 K CA -0.360 55.971 56.287 0.074 0.000 1.077 401 K CB 0.140 32.672 32.500 0.054 0.000 0.833 401 K HN 0.003 nan 8.250 nan 0.000 0.517 402 Y N 2.132 122.434 120.300 0.003 0.000 2.802 402 Y HA -0.152 4.400 4.550 0.003 0.000 0.333 402 Y C -0.093 175.810 175.900 0.005 0.000 1.244 402 Y CA 0.080 58.182 58.100 0.003 0.000 1.558 402 Y CB 0.147 38.608 38.460 0.001 0.000 1.233 402 Y HN -0.056 nan 8.280 nan 0.000 0.547 403 D N 9.290 129.463 120.400 -0.379 0.000 2.551 403 D HA 0.250 4.891 4.640 0.003 0.000 0.294 403 D C -1.902 174.130 176.300 -0.446 0.000 1.201 403 D CA -2.106 51.700 54.000 -0.322 0.000 0.941 403 D CB 0.903 41.615 40.800 -0.146 0.000 0.995 403 D HN 0.341 nan 8.370 nan 0.000 0.502 404 P HA -0.166 nan 4.420 nan 0.000 0.216 404 P C 1.175 178.354 177.300 -0.202 0.000 1.150 404 P CA 0.961 63.790 63.100 -0.452 0.000 0.837 404 P CB 0.612 32.116 31.700 -0.327 0.000 0.786 405 K N -0.218 120.092 120.400 -0.150 0.000 2.097 405 K HA -0.036 4.285 4.320 0.003 0.000 0.205 405 K C 2.301 178.855 176.600 -0.076 0.000 1.050 405 K CA 1.413 57.647 56.287 -0.088 0.000 0.938 405 K CB -0.515 31.945 32.500 -0.066 0.000 0.718 405 K HN 0.041 nan 8.250 nan 0.000 0.442 406 A N 1.467 124.234 122.820 -0.088 0.000 1.930 406 A HA -0.108 4.214 4.320 0.003 0.000 0.217 406 A C 2.106 179.662 177.584 -0.047 0.000 1.175 406 A CA 1.085 53.086 52.037 -0.060 0.000 0.627 406 A CB -0.493 18.473 19.000 -0.057 0.000 0.815 406 A HN 0.141 nan 8.150 nan 0.000 0.443 407 I N -0.083 120.443 120.570 -0.074 0.000 2.142 407 I HA -0.262 3.910 4.170 0.003 0.000 0.240 407 I C 2.332 178.442 176.117 -0.010 0.000 1.078 407 I CA 1.207 62.486 61.300 -0.036 0.000 1.343 407 I CB -0.306 37.660 38.000 -0.057 0.000 1.046 407 I HN 0.284 nan 8.210 nan 0.000 0.405 408 I N 0.905 121.459 120.570 -0.028 0.000 2.208 408 I HA -0.334 3.837 4.170 0.003 0.000 0.245 408 I C 2.840 178.947 176.117 -0.017 0.000 1.097 408 I CA 1.695 62.987 61.300 -0.013 0.000 1.363 408 I CB -0.784 37.204 38.000 -0.020 0.000 1.051 408 I HN 0.248 nan 8.210 nan 0.000 0.413 409 A N 0.944 123.750 122.820 -0.024 0.000 1.883 409 A HA -0.242 4.079 4.320 0.003 0.000 0.217 409 A C 1.935 179.520 177.584 0.001 0.000 1.186 409 A CA 2.107 54.129 52.037 -0.025 0.000 0.624 409 A CB -0.790 18.192 19.000 -0.030 0.000 0.822 409 A HN 0.414 nan 8.150 nan 0.000 0.444 410 N N -0.423 118.294 118.700 0.029 0.000 2.520 410 N HA 0.007 4.748 4.740 0.003 0.000 0.185 410 N C 1.093 176.698 175.510 0.158 0.000 1.068 410 N CA 0.755 53.856 53.050 0.085 0.000 0.911 410 N CB -0.206 38.340 38.487 0.099 0.000 0.961 410 N HN 0.521 nan 8.380 nan 0.000 0.446 411 L N -0.924 120.350 121.223 0.085 0.000 2.640 411 L HA 0.183 4.524 4.340 0.003 0.000 0.230 411 L C -0.098 176.741 176.870 -0.051 0.000 1.123 411 L CA 0.186 55.055 54.840 0.049 0.000 0.900 411 L CB 0.266 42.375 42.059 0.083 0.000 1.146 411 L HN -0.101 nan 8.230 nan 0.000 0.484 412 T N -0.168 114.358 114.554 -0.046 0.000 2.738 412 T HA 0.143 4.495 4.350 0.003 0.000 0.298 412 T C 0.565 175.195 174.700 -0.117 0.000 0.962 412 T CA -0.276 61.756 62.100 -0.113 0.000 0.972 412 T CB 0.501 69.305 68.868 -0.107 0.000 0.928 412 T HN 0.241 nan 8.240 nan 0.000 0.474 413 c N 4.141 122.637 118.600 -0.174 0.000 4.167 413 c HA -0.105 4.467 4.570 0.003 0.000 0.302 413 c C 1.597 175.622 174.090 -0.107 0.000 1.384 413 c CA 0.115 56.346 56.329 -0.164 0.000 2.041 413 c CB -1.814 40.597 42.510 -0.165 0.000 1.303 413 c HN 0.815 nan 8.230 nan 0.000 0.718 414 K N 0.113 120.483 120.400 -0.050 0.000 2.352 414 K HA 0.152 4.474 4.320 0.003 0.000 0.194 414 K C 0.753 177.316 176.600 -0.060 0.000 1.038 414 K CA 0.794 57.075 56.287 -0.009 0.000 1.023 414 K CB 0.305 32.870 32.500 0.109 0.000 0.840 414 K HN 0.665 nan 8.250 nan 0.000 0.519 415 K N 0.778 121.132 120.400 -0.077 0.000 2.318 415 K HA 0.226 4.547 4.320 0.003 0.000 0.249 415 K C -1.948 174.556 176.600 -0.160 0.000 0.942 415 K CA -1.872 54.342 56.287 -0.122 0.000 0.808 415 K CB 2.142 34.567 32.500 -0.124 0.000 1.189 415 K HN -0.281 nan 8.250 nan 0.000 0.428 416 P HA -0.176 nan 4.420 nan 0.000 0.216 416 P C -0.009 177.172 177.300 -0.199 0.000 1.150 416 P CA 1.517 64.531 63.100 -0.144 0.000 0.837 416 P CB 0.136 31.776 31.700 -0.101 0.000 0.786 417 D N -1.367 118.879 120.400 -0.257 0.000 2.491 417 D HA 0.044 4.686 4.640 0.003 0.000 0.228 417 D C 0.607 176.403 176.300 -0.841 0.000 1.183 417 D CA -0.445 53.304 54.000 -0.418 0.000 0.827 417 D CB -0.976 39.655 40.800 -0.282 0.000 0.989 417 D HN 0.188 nan 8.370 nan 0.000 0.494 418 Q N 0.749 120.198 119.800 -0.585 0.000 2.269 418 Q HA -0.090 4.252 4.340 0.003 0.000 0.300 418 Q C 0.035 175.580 176.000 -0.759 0.000 1.070 418 Q CA 0.383 55.807 55.803 -0.632 0.000 0.957 418 Q CB 0.395 28.827 28.738 -0.511 0.000 1.131 418 Q HN 0.340 nan 8.270 nan 0.000 0.377 419 H N 5.261 124.067 119.070 -0.441 0.000 2.507 419 H HA 0.173 4.730 4.556 0.003 0.000 0.294 419 H C -0.811 174.494 175.328 -0.037 0.000 1.064 419 H CA 0.152 55.935 56.048 -0.442 0.000 1.138 419 H CB -0.444 28.646 29.762 -1.119 0.000 1.515 419 H HN 0.476 nan 8.280 nan 0.000 0.547 420 F N -1.277 118.624 119.950 -0.081 0.000 2.741 420 F HA 0.590 5.118 4.527 0.002 0.000 0.313 420 F C -1.401 174.372 175.800 -0.045 0.000 1.153 420 F CA -1.456 56.536 58.000 -0.013 0.000 0.931 420 F CB 1.933 40.926 39.000 -0.012 0.000 1.335 420 F HN -0.312 nan 8.300 nan 0.000 0.460 421 K N 2.465 122.977 120.400 0.186 0.000 2.507 421 K HA 0.522 4.844 4.320 0.003 0.000 0.251 421 K C -3.229 173.487 176.600 0.193 0.000 0.943 421 K CA -2.055 54.248 56.287 0.027 0.000 0.794 421 K CB 2.665 35.161 32.500 -0.006 0.000 1.188 421 K HN 0.471 nan 8.250 nan 0.000 0.428 422 P HA 0.199 nan 4.420 nan 0.000 0.284 422 P C -1.452 175.830 177.300 -0.030 0.000 1.253 422 P CA -0.189 62.986 63.100 0.124 0.000 0.800 422 P CB 0.584 32.331 31.700 0.079 0.000 0.961 423 Y N 0.544 120.933 120.300 0.148 0.000 2.457 423 Y HA 0.309 4.861 4.550 0.003 0.000 0.343 423 Y C 0.733 176.705 175.900 0.120 0.000 0.994 423 Y CA -1.144 57.048 58.100 0.154 0.000 1.031 423 Y CB 1.960 40.523 38.460 0.172 0.000 1.246 423 Y HN 0.170 nan 8.280 nan 0.000 0.449 424 M N 3.449 123.175 119.600 0.209 0.000 2.245 424 M HA 0.080 4.561 4.480 0.003 0.000 0.344 424 M C 1.326 177.635 176.300 0.016 0.000 1.170 424 M CA 0.045 55.365 55.300 0.035 0.000 1.135 424 M CB 0.928 33.435 32.600 -0.154 0.000 1.574 424 M HN 0.828 nan 8.290 nan 0.000 0.452 425 K N 2.114 122.470 120.400 -0.074 0.000 2.209 425 K HA -0.183 4.138 4.320 0.003 0.000 0.204 425 K C 1.344 177.832 176.600 -0.186 0.000 1.048 425 K CA 1.214 57.434 56.287 -0.111 0.000 0.940 425 K CB -0.244 32.148 32.500 -0.179 0.000 0.729 425 K HN 0.676 nan 8.250 nan 0.000 0.451 426 Q N 1.137 120.738 119.800 -0.332 0.000 2.437 426 Q HA -0.162 4.179 4.340 0.003 0.000 0.210 426 Q C 0.721 176.728 176.000 0.011 0.000 0.972 426 Q CA 1.516 57.171 55.803 -0.247 0.000 0.903 426 Q CB -0.466 28.069 28.738 -0.338 0.000 0.967 426 Q HN 0.717 nan 8.270 nan 0.000 0.486 427 H N -0.156 118.957 119.070 0.071 0.000 2.575 427 H HA 0.317 4.874 4.556 0.003 0.000 0.267 427 H C 0.299 175.777 175.328 0.250 0.000 0.966 427 H CA -0.728 55.439 56.048 0.198 0.000 1.165 427 H CB 0.560 30.475 29.762 0.255 0.000 1.433 427 H HN 0.064 nan 8.280 nan 0.000 0.544 428 L N 2.458 123.746 121.223 0.108 0.000 2.483 428 L HA 0.058 4.400 4.340 0.003 0.000 0.276 428 L C -1.953 174.867 176.870 -0.084 0.000 1.213 428 L CA -1.959 52.717 54.840 -0.274 0.000 0.843 428 L CB 0.115 41.981 42.059 -0.321 0.000 1.107 428 L HN -0.069 nan 8.230 nan 0.000 0.487 429 P HA -0.054 nan 4.420 nan 0.000 0.261 429 P C -0.090 177.125 177.300 -0.141 0.000 1.173 429 P CA 0.030 63.046 63.100 -0.140 0.000 0.760 429 P CB 0.373 31.823 31.700 -0.418 0.000 0.783 430 K N 4.042 124.393 120.400 -0.082 0.000 2.209 430 K HA -0.165 4.157 4.320 0.003 0.000 0.204 430 K C 1.815 178.101 176.600 -0.524 0.000 1.048 430 K CA 1.411 57.531 56.287 -0.278 0.000 0.940 430 K CB -0.315 32.019 32.500 -0.276 0.000 0.729 430 K HN 0.568 nan 8.250 nan 0.000 0.451 431 R N 0.912 121.221 120.500 -0.318 0.000 2.193 431 R HA -0.050 4.291 4.340 0.003 0.000 0.229 431 R C 2.019 178.169 176.300 -0.250 0.000 1.110 431 R CA 1.018 56.959 56.100 -0.265 0.000 0.988 431 R CB -0.703 29.544 30.300 -0.089 0.000 0.871 431 R HN 0.113 nan 8.270 nan 0.000 0.458 432 L N 0.097 121.155 121.223 -0.274 0.000 2.313 432 L HA 0.006 4.347 4.340 0.003 0.000 0.214 432 L C 0.258 177.079 176.870 -0.081 0.000 1.119 432 L CA 0.356 55.102 54.840 -0.156 0.000 0.809 432 L CB -0.721 41.179 42.059 -0.266 0.000 0.933 432 L HN 0.361 nan 8.230 nan 0.000 0.449 433 H N -1.610 117.335 119.070 -0.208 0.000 2.713 433 H HA -0.253 4.305 4.556 0.003 0.000 0.311 433 H C -0.540 174.733 175.328 -0.092 0.000 1.175 433 H CA 0.628 56.481 56.048 -0.325 0.000 1.143 433 H CB -1.957 27.201 29.762 -1.007 0.000 1.434 433 H HN 0.353 nan 8.280 nan 0.000 0.418 434 Y N -0.593 119.641 120.300 -0.109 0.000 2.638 434 Y HA 0.542 5.093 4.550 0.003 0.000 0.367 434 Y C 0.443 176.294 175.900 -0.082 0.000 1.001 434 Y CA 0.236 58.297 58.100 -0.065 0.000 1.133 434 Y CB 0.167 38.611 38.460 -0.028 0.000 1.199 434 Y HN 0.355 nan 8.280 nan 0.000 0.642 435 A N 1.473 124.191 122.820 -0.170 0.000 1.998 435 A HA 0.091 4.413 4.320 0.003 0.000 0.180 435 A C 0.437 178.038 177.584 0.029 0.000 1.858 435 A CA -0.075 51.878 52.037 -0.141 0.000 1.403 435 A CB 0.031 18.986 19.000 -0.076 0.000 1.550 435 A HN 0.328 nan 8.150 nan 0.000 0.385 436 N N 2.526 121.272 118.700 0.076 0.000 3.254 436 N HA 0.159 4.901 4.740 0.003 0.000 0.308 436 N C -0.852 174.648 175.510 -0.016 0.000 1.281 436 N CA 0.129 53.234 53.050 0.092 0.000 1.212 436 N CB -0.525 37.971 38.487 0.016 0.000 1.478 436 N HN 0.429 nan 8.380 nan 0.000 0.548 437 N N 0.295 118.972 118.700 -0.038 0.000 2.431 437 N HA 0.085 4.826 4.740 0.003 0.000 0.275 437 N C 0.540 175.997 175.510 -0.088 0.000 1.091 437 N CA -0.348 52.648 53.050 -0.090 0.000 0.922 437 N CB 1.176 39.577 38.487 -0.144 0.000 1.666 437 N HN 0.387 nan 8.380 nan 0.000 0.484 438 R N 2.044 122.484 120.500 -0.100 0.000 2.237 438 R HA 0.044 4.386 4.340 0.003 0.000 0.219 438 R C 0.586 176.816 176.300 -0.116 0.000 1.080 438 R CA 0.922 56.961 56.100 -0.102 0.000 0.995 438 R CB -0.010 30.204 30.300 -0.143 0.000 0.875 438 R HN 0.410 nan 8.270 nan 0.000 0.462 439 R N 0.697 121.118 120.500 -0.132 0.000 2.310 439 R HA 0.269 4.611 4.340 0.003 0.000 0.202 439 R C 0.163 176.421 176.300 -0.070 0.000 0.933 439 R CA 0.170 56.213 56.100 -0.095 0.000 1.054 439 R CB 0.220 30.472 30.300 -0.080 0.000 0.985 439 R HN 0.204 nan 8.270 nan 0.000 0.489 440 I N 2.264 122.760 120.570 -0.123 0.000 2.297 440 I HA 0.078 4.250 4.170 0.003 0.000 0.291 440 I C -0.160 175.926 176.117 -0.051 0.000 1.033 440 I CA -0.667 60.543 61.300 -0.149 0.000 1.253 440 I CB 1.117 38.867 38.000 -0.416 0.000 1.396 440 I HN -0.079 nan 8.210 nan 0.000 0.476 441 E N 4.406 124.627 120.200 0.034 0.000 2.437 441 E HA -0.074 4.277 4.350 0.003 0.000 0.263 441 E C 0.604 177.236 176.600 0.052 0.000 1.030 441 E CA 0.191 56.624 56.400 0.056 0.000 0.934 441 E CB 0.450 30.197 29.700 0.079 0.000 0.943 441 E HN 0.405 nan 8.360 nan 0.000 0.444 442 D N 0.667 121.092 120.400 0.041 0.000 2.123 442 D HA -0.129 4.513 4.640 0.003 0.000 0.196 442 D C 0.408 176.747 176.300 0.066 0.000 0.992 442 D CA 0.931 54.939 54.000 0.013 0.000 0.833 442 D CB -0.003 40.817 40.800 0.033 0.000 0.954 442 D HN 0.143 nan 8.370 nan 0.000 0.455 443 L N 0.742 122.038 121.223 0.123 0.000 2.281 443 L HA 0.288 4.629 4.340 0.003 0.000 0.285 443 L C -0.781 176.203 176.870 0.190 0.000 1.074 443 L CA -0.287 54.641 54.840 0.147 0.000 0.817 443 L CB 0.692 42.840 42.059 0.147 0.000 1.168 443 L HN -0.068 nan 8.230 nan 0.000 0.434 444 H N 3.889 123.044 119.070 0.141 0.000 2.622 444 H HA 0.701 5.258 4.556 0.003 0.000 0.363 444 H C -1.354 174.095 175.328 0.203 0.000 1.151 444 H CA -0.636 55.517 56.048 0.175 0.000 1.184 444 H CB 1.482 31.373 29.762 0.214 0.000 1.643 444 H HN 0.605 nan 8.280 nan 0.000 0.531 445 L N 5.012 126.126 121.223 -0.181 0.000 2.325 445 L HA 0.346 4.687 4.340 0.003 0.000 0.281 445 L C -0.633 176.324 176.870 0.145 0.000 1.004 445 L CA -0.663 54.215 54.840 0.064 0.000 0.823 445 L CB 1.647 43.659 42.059 -0.079 0.000 1.236 445 L HN 0.398 nan 8.230 nan 0.000 0.415 446 L N 4.262 125.717 121.223 0.386 0.000 2.281 446 L HA 0.396 4.737 4.340 0.003 0.000 0.285 446 L C -0.326 176.748 176.870 0.340 0.000 1.074 446 L CA -0.427 54.623 54.840 0.349 0.000 0.817 446 L CB 1.611 43.837 42.059 0.279 0.000 1.168 446 L HN 0.361 nan 8.230 nan 0.000 0.434 447 V N 3.964 124.097 119.914 0.365 0.000 2.539 447 V HA 0.193 4.315 4.120 0.003 0.000 0.292 447 V C 0.341 176.687 176.094 0.421 0.000 1.045 447 V CA -0.772 61.782 62.300 0.423 0.000 0.945 447 V CB 1.775 33.864 31.823 0.444 0.000 0.993 447 V HN 0.707 nan 8.190 nan 0.000 0.464 448 E N 4.461 124.845 120.200 0.307 0.000 2.392 448 E HA 0.157 4.509 4.350 0.003 0.000 0.264 448 E C 0.424 176.995 176.600 -0.049 0.000 1.024 448 E CA -0.691 55.792 56.400 0.139 0.000 0.903 448 E CB 0.628 30.394 29.700 0.109 0.000 0.963 448 E HN 0.695 nan 8.360 nan 0.000 0.432 449 R N 3.625 123.883 120.500 -0.404 0.000 2.640 449 R HA -0.011 4.331 4.340 0.003 0.000 0.270 449 R C -0.038 176.030 176.300 -0.386 0.000 1.024 449 R CA 0.520 56.017 56.100 -1.005 0.000 1.085 449 R CB 0.406 30.357 30.300 -0.583 0.000 0.963 449 R HN 0.871 nan 8.270 nan 0.000 0.426 450 R N -0.755 119.513 120.500 -0.387 0.000 3.728 450 R HA -0.168 4.174 4.340 0.003 0.000 0.478 450 R C -1.083 175.153 176.300 -0.107 0.000 0.932 450 R CA 1.653 57.706 56.100 -0.077 0.000 1.317 450 R CB -1.763 28.494 30.300 -0.072 0.000 1.987 450 R HN 0.693 nan 8.270 nan 0.000 0.509 451 W N 0.163 121.511 121.300 0.081 0.000 2.719 451 W HA 0.562 5.223 4.660 0.002 0.000 0.352 451 W C 0.681 177.346 176.519 0.244 0.000 1.085 451 W CA -0.450 56.964 57.345 0.116 0.000 1.187 451 W CB 0.836 30.354 29.460 0.096 0.000 1.417 451 W HN -0.007 nan 8.180 nan 0.000 0.557 452 H N -0.016 119.259 119.070 0.341 0.000 2.621 452 H HA 0.622 5.179 4.556 0.003 0.000 0.360 452 H C -1.074 174.323 175.328 0.115 0.000 1.163 452 H CA -1.190 54.948 56.048 0.150 0.000 1.194 452 H CB 2.535 32.309 29.762 0.021 0.000 1.649 452 H HN 0.177 nan 8.280 nan 0.000 0.532 453 V N 2.114 122.083 119.914 0.090 0.000 2.495 453 V HA 0.778 4.900 4.120 0.003 0.000 0.298 453 V C -0.957 175.030 176.094 -0.177 0.000 1.031 453 V CA -0.179 62.053 62.300 -0.114 0.000 0.871 453 V CB 0.900 32.551 31.823 -0.287 0.000 0.988 453 V HN 0.872 nan 8.190 nan 0.000 0.432 454 A N 5.616 128.323 122.820 -0.189 0.000 2.479 454 A HA 0.702 5.023 4.320 0.003 0.000 0.296 454 A C 0.621 178.241 177.584 0.061 0.000 1.121 454 A CA -0.578 51.417 52.037 -0.069 0.000 0.743 454 A CB 1.672 20.675 19.000 0.005 0.000 1.323 454 A HN 0.905 nan 8.150 nan 0.000 0.415 455 R N -0.093 120.463 120.500 0.093 0.000 2.062 455 R HA 0.011 4.353 4.340 0.003 0.000 0.229 455 R C 0.278 176.701 176.300 0.206 0.000 1.128 455 R CA 2.025 58.184 56.100 0.098 0.000 0.960 455 R CB -0.093 30.232 30.300 0.042 0.000 0.855 455 R HN 0.765 nan 8.270 nan 0.000 0.432 456 K N -2.801 117.761 120.400 0.268 0.000 2.607 456 K HA 0.276 4.597 4.320 0.003 0.000 0.287 456 K C -2.667 173.878 176.600 -0.092 0.000 0.996 456 K CA -1.419 54.945 56.287 0.128 0.000 0.876 456 K CB 1.770 34.279 32.500 0.014 0.000 1.496 456 K HN -0.313 nan 8.250 nan 0.000 0.415 457 P HA -0.102 nan 4.420 nan 0.000 0.218 457 P C 1.073 178.245 177.300 -0.214 0.000 1.149 457 P CA 1.379 64.032 63.100 -0.745 0.000 0.817 457 P CB -0.206 31.053 31.700 -0.735 0.000 0.785 469 F N 1.361 121.250 119.950 -0.101 0.000 2.771 469 F HA 0.240 4.768 4.527 0.003 0.000 0.299 469 F C 0.826 176.629 175.800 0.005 0.000 1.177 469 F CA 0.478 58.455 58.000 -0.039 0.000 1.450 469 F CB -0.026 38.986 39.000 0.020 0.000 1.114 469 F HN 0.561 nan 8.300 nan 0.000 0.587 470 F N -0.657 119.355 119.950 0.104 0.000 2.569 470 F HA 0.471 5.000 4.527 0.002 0.000 0.312 470 F C -0.165 175.644 175.800 0.015 0.000 1.109 470 F CA -1.114 56.904 58.000 0.030 0.000 0.919 470 F CB 1.021 40.053 39.000 0.054 0.000 1.211 470 F HN -0.201 nan 8.300 nan 0.000 0.446 471 Q N 2.526 122.403 119.800 0.128 0.000 2.113 471 Q HA 0.376 4.717 4.340 0.003 0.000 0.225 471 Q C 0.072 176.163 176.000 0.151 0.000 0.786 471 Q CA -0.143 55.683 55.803 0.038 0.000 0.989 471 Q CB 2.102 30.847 28.738 0.011 0.000 1.174 471 Q HN 0.994 nan 8.270 nan 0.000 0.470 472 G N -0.099 108.849 108.800 0.248 0.000 2.620 472 G HA2 0.568 4.529 3.960 0.003 0.000 0.301 472 G HA3 0.568 4.529 3.960 0.003 0.000 0.301 472 G C -1.684 173.329 174.900 0.188 0.000 1.347 472 G CA -0.036 45.154 45.100 0.150 0.000 0.971 472 G HN -0.086 nan 8.290 nan 0.000 0.488 473 D N -1.163 119.307 120.400 0.115 0.000 2.692 473 D HA 0.566 5.208 4.640 0.003 0.000 0.303 473 D C -0.880 175.454 176.300 0.058 0.000 1.278 473 D CA -0.334 53.701 54.000 0.059 0.000 0.852 473 D CB 2.018 42.828 40.800 0.018 0.000 1.375 473 D HN 0.741 nan 8.370 nan 0.000 0.453 474 H N -2.487 116.521 119.070 -0.103 0.000 2.948 474 H HA 0.665 5.223 4.556 0.003 0.000 0.315 474 H C 0.369 175.457 175.328 -0.400 0.000 1.360 474 H CA -0.365 55.570 56.048 -0.189 0.000 1.125 474 H CB 1.487 31.138 29.762 -0.184 0.000 1.844 474 H HN 0.637 nan 8.280 nan 0.000 0.529 475 G N -0.847 107.797 108.800 -0.260 0.000 2.551 475 G HA2 -0.155 3.807 3.960 0.003 0.000 0.186 475 G HA3 -0.155 3.807 3.960 0.003 0.000 0.186 475 G C -0.401 174.384 174.900 -0.193 0.000 1.002 475 G CA -0.370 44.533 45.100 -0.329 0.000 0.723 475 G HN 0.437 nan 8.290 nan 0.000 0.481 476 F N 2.365 122.390 119.950 0.124 0.000 2.535 476 F HA 0.415 4.943 4.527 0.002 0.000 0.332 476 F C 1.150 177.152 175.800 0.336 0.000 1.208 476 F CA -0.234 57.904 58.000 0.231 0.000 1.330 476 F CB 0.234 39.329 39.000 0.159 0.000 1.167 476 F HN 0.019 nan 8.300 nan 0.000 0.597 477 D N 2.086 122.786 120.400 0.500 0.000 3.046 477 D HA -0.204 4.437 4.640 0.003 0.000 0.213 477 D C 1.044 177.477 176.300 0.222 0.000 1.074 477 D CA 0.225 54.327 54.000 0.169 0.000 0.785 477 D CB 0.209 41.028 40.800 0.032 0.000 1.160 477 D HN 0.620 nan 8.370 nan 0.000 0.524 478 N N 3.417 122.240 118.700 0.205 0.000 2.571 478 N HA -0.193 4.548 4.740 0.003 0.000 0.189 478 N C 1.183 176.757 175.510 0.106 0.000 1.154 478 N CA 0.685 53.844 53.050 0.182 0.000 0.907 478 N CB -0.225 38.382 38.487 0.200 0.000 0.977 478 N HN 0.635 nan 8.380 nan 0.000 0.449 479 K N -0.418 120.019 120.400 0.061 0.000 2.393 479 K HA 0.157 4.478 4.320 0.003 0.000 0.193 479 K C -0.046 176.560 176.600 0.010 0.000 1.026 479 K CA -0.243 56.061 56.287 0.029 0.000 1.064 479 K CB 0.232 32.740 32.500 0.013 0.000 0.833 479 K HN -0.121 nan 8.250 nan 0.000 0.521 480 V N 3.682 123.617 119.914 0.036 0.000 2.540 480 V HA -0.094 4.027 4.120 0.003 0.000 0.297 480 V C 0.895 176.977 176.094 -0.020 0.000 1.024 480 V CA -0.042 62.268 62.300 0.017 0.000 1.105 480 V CB 0.511 32.367 31.823 0.055 0.000 0.938 480 V HN 0.407 nan 8.190 nan 0.000 0.482 481 N N 3.424 122.087 118.700 -0.061 0.000 2.094 481 N HA -0.162 4.580 4.740 0.003 0.000 0.191 481 N C 2.113 177.572 175.510 -0.085 0.000 1.023 481 N CA 1.800 54.775 53.050 -0.124 0.000 0.857 481 N CB -0.251 38.173 38.487 -0.105 0.000 1.013 481 N HN 0.884 nan 8.380 nan 0.000 0.426 482 S N -0.446 115.245 115.700 -0.016 0.000 2.474 482 S HA -0.014 4.457 4.470 0.003 0.000 0.235 482 S C 1.659 176.274 174.600 0.024 0.000 0.997 482 S CA 0.661 58.864 58.200 0.005 0.000 0.949 482 S CB -0.079 63.149 63.200 0.047 0.000 0.766 482 S HN 0.128 nan 8.310 nan 0.000 0.517 483 M N 0.870 120.509 119.600 0.064 0.000 2.541 483 M HA 0.268 4.750 4.480 0.003 0.000 0.252 483 M C 0.300 176.647 176.300 0.077 0.000 1.125 483 M CA 0.436 55.807 55.300 0.120 0.000 1.091 483 M CB -0.907 31.803 32.600 0.183 0.000 1.420 483 M HN 0.307 nan 8.290 nan 0.000 0.486 484 Q N 0.497 120.296 119.800 -0.003 0.000 2.392 484 Q HA 0.182 4.524 4.340 0.003 0.000 0.262 484 Q C 0.487 176.514 176.000 0.044 0.000 1.003 484 Q CA 0.505 56.311 55.803 0.004 0.000 0.888 484 Q CB 0.956 29.582 28.738 -0.186 0.000 1.260 484 Q HN 0.128 nan 8.270 nan 0.000 0.435 485 T N -0.644 113.970 114.554 0.101 0.000 2.676 485 T HA 0.676 5.028 4.350 0.003 0.000 0.269 485 T C -0.877 173.909 174.700 0.143 0.000 0.952 485 T CA -0.481 61.681 62.100 0.103 0.000 1.040 485 T CB 1.160 70.068 68.868 0.067 0.000 1.352 485 T HN 0.418 nan 8.240 nan 0.000 0.554 486 V N 0.558 120.546 119.914 0.122 0.000 2.769 486 V HA 0.915 5.036 4.120 0.003 0.000 0.312 486 V C -1.076 175.101 176.094 0.139 0.000 1.058 486 V CA -0.918 61.458 62.300 0.126 0.000 0.952 486 V CB 1.332 33.197 31.823 0.070 0.000 1.019 486 V HN 0.758 nan 8.190 nan 0.000 0.445 487 F N 2.846 122.817 119.950 0.035 0.000 2.573 487 F HA 0.823 5.352 4.527 0.002 0.000 0.316 487 F C -1.290 174.587 175.800 0.128 0.000 1.148 487 F CA -0.486 57.558 58.000 0.073 0.000 0.940 487 F CB 1.971 41.014 39.000 0.071 0.000 1.214 487 F HN 0.530 nan 8.300 nan 0.000 0.448 488 V N 4.546 123.891 119.914 -0.949 0.000 2.760 488 V HA 0.819 4.941 4.120 0.003 0.000 0.309 488 V C -0.196 175.165 176.094 -1.221 0.000 1.077 488 V CA -0.629 61.185 62.300 -0.810 0.000 0.910 488 V CB 1.847 33.485 31.823 -0.309 0.000 1.008 488 V HN 1.040 nan 8.190 nan 0.000 0.424 489 G N 2.295 110.430 108.800 -1.108 0.000 2.470 489 G HA2 0.645 4.606 3.960 0.003 0.000 0.320 489 G HA3 0.645 4.606 3.960 0.003 0.000 0.320 489 G C -1.937 172.524 174.900 -0.730 0.000 1.245 489 G CA -0.502 43.709 45.100 -1.482 0.000 0.935 489 G HN 0.666 nan 8.290 nan 0.000 0.476 490 Y N 1.537 121.618 120.300 -0.364 0.000 2.421 490 Y HA 0.671 5.222 4.550 0.001 0.000 0.339 490 Y C 0.221 176.276 175.900 0.258 0.000 0.996 490 Y CA 0.346 58.461 58.100 0.026 0.000 1.046 490 Y CB 2.110 40.568 38.460 -0.004 0.000 1.226 490 Y HN 1.256 nan 8.280 nan 0.000 0.445 491 G N 5.061 113.794 108.800 -0.113 0.000 2.369 491 G HA2 0.015 3.977 3.960 0.003 0.000 0.295 491 G HA3 0.015 3.977 3.960 0.003 0.000 0.295 491 G C -2.804 172.092 174.900 -0.007 0.000 1.298 491 G CA -0.507 44.571 45.100 -0.036 0.000 0.940 491 G HN 0.340 nan 8.290 nan 0.000 0.536 492 P HA -0.010 nan 4.420 nan 0.000 0.220 492 P C 1.446 178.729 177.300 -0.029 0.000 1.148 492 P CA 2.098 65.179 63.100 -0.032 0.000 0.803 492 P CB 0.001 31.682 31.700 -0.031 0.000 0.782 493 T N -1.685 112.831 114.554 -0.063 0.000 3.067 493 T HA 0.111 4.463 4.350 0.003 0.000 0.257 493 T C 0.658 175.213 174.700 -0.242 0.000 1.105 493 T CA 0.270 62.264 62.100 -0.177 0.000 1.104 493 T CB -0.374 68.332 68.868 -0.271 0.000 0.925 493 T HN -0.032 nan 8.240 nan 0.000 0.498 494 F N 1.653 121.624 119.950 0.037 0.000 2.370 494 F HA 0.382 4.909 4.527 0.000 0.000 0.319 494 F C 1.025 176.860 175.800 0.058 0.000 1.129 494 F CA -1.057 56.981 58.000 0.062 0.000 1.109 494 F CB 0.765 39.820 39.000 0.092 0.000 1.262 494 F HN -0.323 nan 8.300 nan 0.000 0.534 495 K N 0.362 120.950 120.400 0.313 0.000 2.180 495 K HA 0.111 4.433 4.320 0.003 0.000 0.251 495 K C -1.210 175.539 176.600 0.248 0.000 1.014 495 K CA -0.385 56.038 56.287 0.228 0.000 0.913 495 K CB 0.569 33.183 32.500 0.190 0.000 1.008 495 K HN 0.576 nan 8.250 nan 0.000 0.490 496 Y N 0.840 121.190 120.300 0.083 0.000 2.330 496 Y HA 0.154 4.703 4.550 -0.001 0.000 0.336 496 Y C -0.200 175.752 175.900 0.087 0.000 1.036 496 Y CA -0.470 57.669 58.100 0.065 0.000 1.125 496 Y CB 0.871 39.351 38.460 0.034 0.000 1.194 496 Y HN 0.586 nan 8.280 nan 0.000 0.469 497 R N 2.990 123.259 120.500 -0.386 0.000 3.225 497 R HA -0.164 4.177 4.340 0.003 0.000 0.245 497 R C -1.060 175.207 176.300 -0.056 0.000 0.928 497 R CA 1.123 57.035 56.100 -0.312 0.000 0.632 497 R CB -2.116 27.840 30.300 -0.574 0.000 1.038 497 R HN 0.681 nan 8.270 nan 0.000 0.461 498 T N 0.346 114.934 114.554 0.057 0.000 2.848 498 T HA 0.375 4.727 4.350 0.003 0.000 0.285 498 T C -0.272 174.489 174.700 0.101 0.000 0.995 498 T CA -0.803 61.352 62.100 0.092 0.000 0.970 498 T CB 2.425 71.364 68.868 0.117 0.000 0.976 498 T HN 0.181 nan 8.240 nan 0.000 0.441 499 K N 2.557 122.976 120.400 0.031 0.000 2.138 499 K HA 0.722 5.043 4.320 0.003 0.000 0.263 499 K C -0.461 176.113 176.600 -0.044 0.000 0.965 499 K CA -0.699 55.490 56.287 -0.163 0.000 0.868 499 K CB 0.855 33.263 32.500 -0.154 0.000 1.083 499 K HN 0.484 nan 8.250 nan 0.000 0.443 500 V N 0.772 120.662 119.914 -0.041 0.000 3.001 500 V HA 0.691 4.813 4.120 0.003 0.000 0.314 500 V C -2.650 173.493 176.094 0.081 0.000 1.099 500 V CA -2.548 59.823 62.300 0.119 0.000 0.989 500 V CB 1.298 33.267 31.823 0.244 0.000 1.040 500 V HN 0.755 nan 8.190 nan 0.000 0.434 501 P HA 0.344 nan 4.420 nan 0.000 0.272 501 P C -2.772 174.555 177.300 0.046 0.000 1.240 501 P CA -1.459 61.669 63.100 0.047 0.000 0.791 501 P CB -0.479 31.258 31.700 0.062 0.000 0.978 502 P HA 0.121 nan 4.420 nan 0.000 0.269 502 P C -0.700 176.561 177.300 -0.065 0.000 1.215 502 P CA 0.571 63.438 63.100 -0.389 0.000 0.780 502 P CB 0.065 31.164 31.700 -1.002 0.000 0.898 503 F N -2.052 117.829 119.950 -0.115 0.000 2.715 503 F HA 0.608 5.136 4.527 0.002 0.000 0.318 503 F C -0.662 175.127 175.800 -0.018 0.000 1.141 503 F CA -1.364 56.606 58.000 -0.051 0.000 0.950 503 F CB 1.106 40.063 39.000 -0.071 0.000 1.374 503 F HN 0.140 nan 8.300 nan 0.000 0.477 504 E N 0.947 121.304 120.200 0.262 0.000 2.277 504 E HA 0.151 4.503 4.350 0.003 0.000 0.274 504 E C 0.139 176.881 176.600 0.236 0.000 1.022 504 E CA -0.524 55.975 56.400 0.165 0.000 0.853 504 E CB 1.121 30.921 29.700 0.166 0.000 1.086 504 E HN 0.711 nan 8.360 nan 0.000 0.397 505 N N 3.354 122.138 118.700 0.141 0.000 2.364 505 N HA -0.181 4.561 4.740 0.003 0.000 0.183 505 N C 1.573 177.161 175.510 0.131 0.000 1.022 505 N CA 1.137 54.283 53.050 0.161 0.000 0.883 505 N CB -0.581 37.987 38.487 0.135 0.000 0.965 505 N HN 0.661 nan 8.380 nan 0.000 0.438 506 I N -2.559 118.057 120.570 0.076 0.000 2.700 506 I HA 0.002 4.173 4.170 0.003 0.000 0.261 506 I C 1.037 177.140 176.117 -0.023 0.000 1.219 506 I CA 1.149 62.429 61.300 -0.033 0.000 1.463 506 I CB -0.191 37.697 38.000 -0.187 0.000 1.092 506 I HN -0.126 nan 8.210 nan 0.000 0.452 507 E N 1.422 121.646 120.200 0.039 0.000 2.371 507 E HA 0.071 4.422 4.350 0.003 0.000 0.194 507 E C 2.267 178.829 176.600 -0.065 0.000 1.012 507 E CA 0.556 56.937 56.400 -0.031 0.000 0.860 507 E CB 0.055 29.725 29.700 -0.051 0.000 0.811 507 E HN 0.609 nan 8.360 nan 0.000 0.502 508 L N -0.047 121.194 121.223 0.029 0.000 2.156 508 L HA -0.140 4.202 4.340 0.003 0.000 0.208 508 L C 2.455 179.347 176.870 0.036 0.000 1.095 508 L CA 0.836 55.698 54.840 0.037 0.000 0.770 508 L CB -0.431 41.725 42.059 0.163 0.000 0.914 508 L HN 0.134 nan 8.230 nan 0.000 0.439 509 Y N 1.426 121.675 120.300 -0.084 0.000 2.114 509 Y HA -0.347 4.204 4.550 0.003 0.000 0.282 509 Y C 2.496 178.279 175.900 -0.195 0.000 1.165 509 Y CA 1.962 59.988 58.100 -0.124 0.000 1.148 509 Y CB -0.168 38.191 38.460 -0.169 0.000 0.972 509 Y HN 0.227 nan 8.280 nan 0.000 0.504 510 N N 0.038 118.553 118.700 -0.308 0.000 2.104 510 N HA -0.192 4.550 4.740 0.003 0.000 0.190 510 N C 1.907 177.137 175.510 -0.466 0.000 1.024 510 N CA 1.807 54.483 53.050 -0.623 0.000 0.853 510 N CB -0.661 37.323 38.487 -0.838 0.000 1.008 510 N HN 0.344 nan 8.380 nan 0.000 0.424 511 V N 1.353 121.106 119.914 -0.268 0.000 2.427 511 V HA -0.118 4.003 4.120 0.003 0.000 0.248 511 V C 2.269 178.303 176.094 -0.099 0.000 1.051 511 V CA 1.176 63.389 62.300 -0.145 0.000 1.048 511 V CB -0.341 31.415 31.823 -0.112 0.000 0.666 511 V HN 0.284 nan 8.190 nan 0.000 0.456 512 M N -1.420 118.125 119.600 -0.091 0.000 2.229 512 M HA -0.173 4.308 4.480 0.003 0.000 0.264 512 M C 2.381 178.603 176.300 -0.131 0.000 1.063 512 M CA 1.465 56.743 55.300 -0.036 0.000 1.114 512 M CB -0.652 31.970 32.600 0.037 0.000 1.387 512 M HN 0.398 nan 8.290 nan 0.000 0.420 513 C N 0.806 119.927 119.300 -0.299 0.000 2.432 513 C HA -0.154 4.308 4.460 0.003 0.000 0.277 513 C C 2.273 177.173 174.990 -0.149 0.000 1.249 513 C CA 0.933 59.770 59.018 -0.302 0.000 1.725 513 C CB -0.959 26.483 27.740 -0.496 0.000 2.028 513 C HN 0.543 nan 8.230 nan 0.000 0.477 514 D N 0.865 121.197 120.400 -0.114 0.000 2.116 514 D HA -0.124 4.518 4.640 0.003 0.000 0.193 514 D C 1.912 178.187 176.300 -0.041 0.000 0.998 514 D CA 1.222 55.208 54.000 -0.023 0.000 0.836 514 D CB -0.528 40.283 40.800 0.019 0.000 0.951 514 D HN 0.450 nan 8.370 nan 0.000 0.449 515 L N -0.150 121.036 121.223 -0.062 0.000 2.362 515 L HA -0.062 4.279 4.340 0.003 0.000 0.219 515 L C 1.862 178.726 176.870 -0.010 0.000 1.134 515 L CA 0.462 55.270 54.840 -0.054 0.000 0.807 515 L CB -0.002 42.030 42.059 -0.045 0.000 0.927 515 L HN 0.000 nan 8.230 nan 0.000 0.447 516 L N -1.299 119.916 121.223 -0.014 0.000 2.766 516 L HA 0.320 4.662 4.340 0.003 0.000 0.242 516 L C 1.287 178.151 176.870 -0.009 0.000 1.136 516 L CA 0.206 55.048 54.840 0.002 0.000 0.933 516 L CB 0.371 42.432 42.059 0.003 0.000 1.241 516 L HN 0.270 nan 8.230 nan 0.000 0.522 517 G N 1.097 109.888 108.800 -0.014 0.000 2.160 517 G HA2 -0.273 3.689 3.960 0.003 0.000 0.251 517 G HA3 -0.273 3.689 3.960 0.003 0.000 0.251 517 G C 0.041 174.930 174.900 -0.017 0.000 1.008 517 G CA 0.105 45.202 45.100 -0.006 0.000 0.724 517 G HN 0.232 nan 8.290 nan 0.000 0.514 518 L N -0.601 120.594 121.223 -0.047 0.000 2.360 518 L HA 0.521 4.862 4.340 0.003 0.000 0.271 518 L C 0.713 177.541 176.870 -0.070 0.000 1.057 518 L CA -0.903 53.896 54.840 -0.069 0.000 0.803 518 L CB 1.255 43.244 42.059 -0.118 0.000 1.207 518 L HN -0.008 nan 8.230 nan 0.000 0.445 519 K N 3.303 123.672 120.400 -0.052 0.000 2.262 519 K HA 0.310 4.632 4.320 0.003 0.000 0.282 519 K C -2.336 174.215 176.600 -0.082 0.000 1.066 519 K CA -1.667 54.597 56.287 -0.037 0.000 0.901 519 K CB 0.730 33.233 32.500 0.004 0.000 1.089 519 K HN 0.262 nan 8.250 nan 0.000 0.476 520 P HA 0.002 nan 4.420 nan 0.000 0.271 520 P C -0.554 176.773 177.300 0.045 0.000 1.216 520 P CA -0.267 62.758 63.100 -0.126 0.000 0.776 520 P CB 0.855 32.405 31.700 -0.250 0.000 0.881 521 A N 5.292 128.206 122.820 0.158 0.000 2.386 521 A HA 0.363 4.684 4.320 0.003 0.000 0.246 521 A C -2.023 175.573 177.584 0.020 0.000 1.089 521 A CA -1.151 50.917 52.037 0.051 0.000 0.790 521 A CB -1.550 17.442 19.000 -0.013 0.000 1.042 521 A HN 0.419 nan 8.150 nan 0.000 0.497 522 P HA 0.145 nan 4.420 nan 0.000 0.264 522 P C -0.624 176.611 177.300 -0.108 0.000 1.193 522 P CA 0.492 63.563 63.100 -0.049 0.000 0.763 522 P CB 0.279 31.951 31.700 -0.047 0.000 0.810 523 N N 0.776 119.409 118.700 -0.111 0.000 3.344 523 N HA 0.253 4.995 4.740 0.003 0.000 0.296 523 N C -0.379 175.018 175.510 -0.189 0.000 1.571 523 N CA -0.888 52.047 53.050 -0.192 0.000 0.844 523 N CB 0.414 38.751 38.487 -0.250 0.000 1.718 523 N HN -0.021 nan 8.380 nan 0.000 0.589 524 N N -1.744 116.783 118.700 -0.289 0.000 2.336 524 N HA 0.197 4.938 4.740 0.003 0.000 0.189 524 N C 0.538 175.922 175.510 -0.211 0.000 1.113 524 N CA -0.042 52.810 53.050 -0.330 0.000 0.858 524 N CB 0.349 38.366 38.487 -0.784 0.000 0.970 524 N HN 0.597 nan 8.380 nan 0.000 0.471 525 G N -0.057 108.644 108.800 -0.165 0.000 2.699 525 G HA2 0.136 4.097 3.960 0.003 0.000 0.246 525 G HA3 0.136 4.097 3.960 0.003 0.000 0.246 525 G C -0.393 174.488 174.900 -0.032 0.000 1.219 525 G CA -0.064 44.981 45.100 -0.092 0.000 0.866 525 G HN 0.017 nan 8.290 nan 0.000 0.572 526 T N 0.342 114.892 114.554 -0.007 0.000 2.893 526 T HA 0.217 4.568 4.350 0.003 0.000 0.324 526 T C -0.170 174.553 174.700 0.039 0.000 1.082 526 T CA -0.227 61.892 62.100 0.033 0.000 0.983 526 T CB 0.251 69.143 68.868 0.039 0.000 1.005 526 T HN 0.583 nan 8.240 nan 0.000 0.475 527 H N 1.811 120.824 119.070 -0.095 0.000 3.026 527 H HA 0.393 4.951 4.556 0.002 0.000 0.289 527 H C 1.375 176.716 175.328 0.020 0.000 1.022 527 H CA 0.980 56.918 56.048 -0.183 0.000 1.477 527 H CB 0.095 29.541 29.762 -0.527 0.000 1.510 527 H HN 0.997 nan 8.280 nan 0.000 0.535 528 G N 2.366 111.312 108.800 0.243 0.000 2.316 528 G HA2 -0.364 3.598 3.960 0.003 0.000 0.203 528 G HA3 -0.364 3.598 3.960 0.003 0.000 0.203 528 G C 1.374 176.296 174.900 0.036 0.000 0.999 528 G CA 0.327 45.508 45.100 0.135 0.000 0.649 528 G HN 0.662 nan 8.290 nan 0.000 0.489 529 S N 0.152 115.861 115.700 0.014 0.000 2.469 529 S HA 0.205 4.677 4.470 0.003 0.000 0.238 529 S C 1.787 176.404 174.600 0.028 0.000 0.998 529 S CA 1.357 59.565 58.200 0.013 0.000 0.957 529 S CB -0.164 63.041 63.200 0.007 0.000 0.764 529 S HN 0.556 nan 8.310 nan 0.000 0.514 530 L N 0.916 122.080 121.223 -0.098 0.000 2.910 530 L HA 0.349 4.691 4.340 0.003 0.000 0.252 530 L C 1.168 177.859 176.870 -0.299 0.000 1.195 530 L CA -0.250 54.379 54.840 -0.352 0.000 1.003 530 L CB -0.257 41.503 42.059 -0.498 0.000 1.328 530 L HN 0.154 nan 8.230 nan 0.000 0.540 531 N N 0.750 119.409 118.700 -0.069 0.000 2.205 531 N HA -0.196 4.545 4.740 0.003 0.000 0.186 531 N C 1.802 177.298 175.510 -0.023 0.000 1.015 531 N CA 1.206 54.245 53.050 -0.019 0.000 0.862 531 N CB -0.168 38.343 38.487 0.040 0.000 0.986 531 N HN 0.542 nan 8.380 nan 0.000 0.429 532 H N -1.058 118.000 119.070 -0.020 0.000 2.567 532 H HA 0.029 4.586 4.556 0.002 0.000 0.276 532 H C 1.274 176.625 175.328 0.038 0.000 1.016 532 H CA 0.364 56.414 56.048 0.003 0.000 1.186 532 H CB -0.218 29.540 29.762 -0.007 0.000 1.351 532 H HN 0.109 nan 8.280 nan 0.000 0.605 533 L N 0.611 121.686 121.223 -0.247 0.000 2.446 533 L HA 0.186 4.527 4.340 0.003 0.000 0.219 533 L C 0.752 177.713 176.870 0.151 0.000 1.116 533 L CA 0.547 55.378 54.840 -0.016 0.000 0.844 533 L CB 0.027 42.071 42.059 -0.024 0.000 0.970 533 L HN 0.162 nan 8.230 nan 0.000 0.457 534 L N -1.189 120.053 121.223 0.031 0.000 2.334 534 L HA 0.384 4.725 4.340 0.003 0.000 0.276 534 L C 1.417 178.294 176.870 0.013 0.000 1.014 534 L CA -0.404 54.425 54.840 -0.018 0.000 0.815 534 L CB 1.966 43.968 42.059 -0.095 0.000 1.268 534 L HN -0.054 nan 8.230 nan 0.000 0.428 535 R N 0.632 121.135 120.500 0.005 0.000 2.093 535 R HA 0.037 4.378 4.340 0.003 0.000 0.224 535 R C 0.465 176.759 176.300 -0.009 0.000 1.101 535 R CA 1.063 57.172 56.100 0.015 0.000 0.979 535 R CB 0.443 30.754 30.300 0.019 0.000 0.877 535 R HN 0.730 nan 8.270 nan 0.000 0.441 536 T N -1.690 112.842 114.554 -0.037 0.000 2.754 536 T HA 0.241 4.593 4.350 0.003 0.000 0.296 536 T C -1.248 173.421 174.700 -0.051 0.000 1.205 536 T CA -0.331 61.747 62.100 -0.036 0.000 1.009 536 T CB 1.484 70.332 68.868 -0.032 0.000 1.368 536 T HN 0.387 nan 8.240 nan 0.000 0.509 537 N N 0.732 119.412 118.700 -0.033 0.000 2.800 537 N HA -0.130 4.612 4.740 0.003 0.000 0.250 537 N C 0.040 175.550 175.510 0.000 0.000 1.078 537 N CA 1.516 54.552 53.050 -0.023 0.000 0.804 537 N CB -1.827 36.632 38.487 -0.047 0.000 1.135 537 N HN 0.922 nan 8.380 nan 0.000 0.565 538 T N -2.408 112.145 114.554 -0.001 0.000 2.856 538 T HA 0.315 4.667 4.350 0.003 0.000 0.306 538 T C 0.178 174.911 174.700 0.056 0.000 1.062 538 T CA -0.534 61.580 62.100 0.023 0.000 1.083 538 T CB 0.931 69.801 68.868 0.003 0.000 0.984 538 T HN 0.201 nan 8.240 nan 0.000 0.542 539 F N 1.510 121.388 119.950 -0.120 0.000 2.404 539 F HA 0.444 4.973 4.527 0.002 0.000 0.354 539 F C 0.603 176.292 175.800 -0.186 0.000 1.122 539 F CA -1.441 56.418 58.000 -0.235 0.000 1.080 539 F CB 1.083 39.718 39.000 -0.609 0.000 1.131 539 F HN 0.630 nan 8.300 nan 0.000 0.471 540 R N 8.448 128.497 120.500 -0.751 0.000 2.248 540 R HA 0.309 4.650 4.340 0.003 0.000 0.337 540 R C -2.483 173.327 176.300 -0.817 0.000 1.085 540 R CA -1.625 54.137 56.100 -0.564 0.000 0.934 540 R CB 0.201 30.300 30.300 -0.335 0.000 1.034 540 R HN 0.433 nan 8.270 nan 0.000 0.465 541 P HA 0.136 nan 4.420 nan 0.000 0.276 541 P C -0.988 176.379 177.300 0.112 0.000 1.252 541 P CA -0.300 62.714 63.100 -0.143 0.000 0.802 541 P CB 1.455 33.157 31.700 0.003 0.000 1.035 542 T N -0.992 113.687 114.554 0.209 0.000 2.841 542 T HA 0.382 4.734 4.350 0.003 0.000 0.283 542 T C -0.139 174.665 174.700 0.173 0.000 1.000 542 T CA -0.980 61.198 62.100 0.130 0.000 0.977 542 T CB 0.757 69.647 68.868 0.037 0.000 0.979 542 T HN 0.156 nan 8.240 nan 0.000 0.446 543 L N 5.092 126.233 121.223 -0.136 0.000 2.540 543 L HA 0.331 4.673 4.340 0.003 0.000 0.276 543 L C -1.755 175.102 176.870 -0.023 0.000 1.212 543 L CA -1.180 53.518 54.840 -0.236 0.000 0.893 543 L CB -0.241 41.601 42.059 -0.362 0.000 1.138 543 L HN 0.590 nan 8.230 nan 0.000 0.491 544 P HA 0.083 nan 4.420 nan 0.000 0.271 544 P C -0.917 176.396 177.300 0.021 0.000 1.216 544 P CA -0.277 62.856 63.100 0.056 0.000 0.776 544 P CB 0.457 32.206 31.700 0.081 0.000 0.881 545 E N 0.965 121.181 120.200 0.027 0.000 2.338 545 E HA 0.062 4.413 4.350 0.003 0.000 0.272 545 E C 0.271 176.886 176.600 0.026 0.000 1.029 545 E CA -0.328 56.084 56.400 0.020 0.000 0.872 545 E CB 0.605 30.320 29.700 0.024 0.000 1.015 545 E HN 0.446 nan 8.360 nan 0.000 0.417 546 E N 2.183 122.397 120.200 0.022 0.000 2.413 546 E HA -0.036 4.315 4.350 0.003 0.000 0.263 546 E C 0.084 176.705 176.600 0.034 0.000 1.015 546 E CA -0.185 56.232 56.400 0.028 0.000 0.916 546 E CB 0.794 30.520 29.700 0.042 0.000 0.947 546 E HN 0.297 nan 8.360 nan 0.000 0.440 547 V N 2.444 122.376 119.914 0.028 0.000 2.788 547 V HA 0.046 4.167 4.120 0.003 0.000 0.241 547 V C 0.118 176.228 176.094 0.027 0.000 1.083 547 V CA 0.558 62.875 62.300 0.029 0.000 1.103 547 V CB 0.870 32.712 31.823 0.031 0.000 0.800 547 V HN 0.529 nan 8.190 nan 0.000 0.476 548 S N 0.812 116.528 115.700 0.027 0.000 2.530 548 S HA 0.670 5.142 4.470 0.003 0.000 0.322 548 S C 0.143 174.842 174.600 0.165 0.000 1.085 548 S CA -0.475 57.770 58.200 0.075 0.000 1.096 548 S CB 1.313 64.547 63.200 0.056 0.000 0.988 548 S HN 0.519 nan 8.310 nan 0.000 0.466 549 R N 3.713 124.264 120.500 0.085 0.000 2.539 549 R HA 0.646 4.987 4.340 0.003 0.000 0.275 549 R C -2.772 173.438 176.300 -0.149 0.000 1.077 549 R CA -1.676 54.454 56.100 0.050 0.000 1.097 549 R CB -1.240 29.090 30.300 0.051 0.000 1.018 549 R HN 0.519 nan 8.270 nan 0.000 0.483 550 P HA 0.175 nan 4.420 nan 0.000 0.274 550 P C -1.011 175.937 177.300 -0.586 0.000 1.237 550 P CA -0.630 61.891 63.100 -0.965 0.000 0.793 550 P CB 0.734 31.850 31.700 -0.974 0.000 0.977 551 N N 0.757 119.109 118.700 -0.580 0.000 2.495 551 N HA 0.186 4.928 4.740 0.003 0.000 0.280 551 N C -0.682 174.568 175.510 -0.434 0.000 1.168 551 N CA 0.013 52.888 53.050 -0.292 0.000 0.978 551 N CB 0.519 38.908 38.487 -0.164 0.000 1.191 551 N HN 0.428 nan 8.380 nan 0.000 0.497 552 Y N 0.567 120.844 120.300 -0.039 0.000 2.837 552 Y HA 0.273 4.825 4.550 0.002 0.000 0.356 552 Y C -1.718 174.201 175.900 0.031 0.000 1.035 552 Y CA -1.652 56.454 58.100 0.010 0.000 1.165 552 Y CB 0.369 38.872 38.460 0.071 0.000 1.147 552 Y HN 0.270 nan 8.280 nan 0.000 0.628 553 P HA 0.224 nan 4.420 nan 0.000 0.271 553 P C 0.433 177.801 177.300 0.113 0.000 1.216 553 P CA 0.145 63.309 63.100 0.107 0.000 0.771 553 P CB 1.756 33.512 31.700 0.094 0.000 0.864 554 G N 2.283 111.145 108.800 0.102 0.000 2.568 554 G HA2 0.467 4.428 3.960 0.003 0.000 0.293 554 G HA3 0.467 4.428 3.960 0.003 0.000 0.293 554 G C 0.014 174.965 174.900 0.086 0.000 1.347 554 G CA -1.109 44.041 45.100 0.083 0.000 1.039 554 G HN 0.502 nan 8.290 nan 0.000 0.523 555 I N 0.053 120.665 120.570 0.069 0.000 2.775 555 I HA -0.017 4.155 4.170 0.003 0.000 0.290 555 I C 0.671 176.817 176.117 0.048 0.000 1.203 555 I CA 1.016 62.367 61.300 0.084 0.000 1.433 555 I CB 0.742 38.778 38.000 0.060 0.000 1.354 555 I HN 0.448 nan 8.210 nan 0.000 0.579 556 M N 5.131 124.764 119.600 0.055 0.000 2.112 556 M HA 0.201 4.683 4.480 0.003 0.000 0.397 556 M C -0.905 175.066 176.300 -0.550 0.000 0.854 556 M CA 0.017 55.183 55.300 -0.224 0.000 1.097 556 M CB 0.702 33.144 32.600 -0.264 0.000 2.136 556 M HN 0.387 nan 8.290 nan 0.000 0.720 557 Y N -0.292 120.040 120.300 0.053 0.000 2.634 557 Y HA 0.750 5.302 4.550 0.003 0.000 0.340 557 Y C -0.852 175.100 175.900 0.087 0.000 1.058 557 Y CA -1.353 56.764 58.100 0.029 0.000 1.081 557 Y CB 1.184 39.631 38.460 -0.022 0.000 1.295 557 Y HN -0.255 nan 8.280 nan 0.000 0.487 558 L N 0.756 122.120 121.223 0.235 0.000 2.342 558 L HA 0.482 4.824 4.340 0.003 0.000 0.271 558 L C 1.328 178.378 176.870 0.300 0.000 1.008 558 L CA -0.400 54.558 54.840 0.197 0.000 0.818 558 L CB 1.325 43.444 42.059 0.100 0.000 1.296 558 L HN 0.884 nan 8.230 nan 0.000 0.427 559 Q N 1.175 121.136 119.800 0.269 0.000 2.268 559 Q HA -0.236 4.106 4.340 0.003 0.000 0.210 559 Q C 1.774 177.944 176.000 0.284 0.000 0.988 559 Q CA 2.310 58.287 55.803 0.291 0.000 0.883 559 Q CB -1.207 27.614 28.738 0.139 0.000 0.911 559 Q HN 0.863 nan 8.270 nan 0.000 0.430 560 S N -0.111 115.694 115.700 0.174 0.000 2.481 560 S HA -0.093 4.379 4.470 0.003 0.000 0.231 560 S C 1.186 175.831 174.600 0.076 0.000 0.996 560 S CA 0.893 59.159 58.200 0.110 0.000 0.942 560 S CB 0.029 63.268 63.200 0.065 0.000 0.768 560 S HN 0.657 nan 8.310 nan 0.000 0.520 561 D N 0.648 121.073 120.400 0.040 0.000 2.371 561 D HA 0.157 4.799 4.640 0.003 0.000 0.221 561 D C -0.556 175.565 176.300 -0.299 0.000 0.986 561 D CA 0.476 54.386 54.000 -0.149 0.000 0.899 561 D CB -0.088 40.583 40.800 -0.216 0.000 0.902 561 D HN 0.422 nan 8.370 nan 0.000 0.530 562 F N 0.458 120.420 119.950 0.019 0.000 2.436 562 F HA 0.229 4.758 4.527 0.003 0.000 0.340 562 F C 0.523 176.325 175.800 0.003 0.000 1.113 562 F CA -0.965 57.032 58.000 -0.004 0.000 1.022 562 F CB 1.563 40.560 39.000 -0.005 0.000 1.128 562 F HN -0.376 nan 8.300 nan 0.000 0.466 563 D N 4.348 124.847 120.400 0.164 0.000 2.502 563 D HA 0.316 4.958 4.640 0.003 0.000 0.301 563 D C 0.084 176.444 176.300 0.099 0.000 1.202 563 D CA 0.092 54.153 54.000 0.103 0.000 0.878 563 D CB 0.235 41.065 40.800 0.049 0.000 1.062 563 D HN 0.476 nan 8.370 nan 0.000 0.499 564 L N 0.294 121.587 121.223 0.116 0.000 2.664 564 L HA 0.386 4.727 4.340 0.003 0.000 0.233 564 L C 1.672 178.585 176.870 0.071 0.000 1.113 564 L CA 0.261 55.158 54.840 0.094 0.000 0.896 564 L CB 0.427 42.546 42.059 0.100 0.000 1.163 564 L HN 0.465 nan 8.230 nan 0.000 0.497 565 G N -0.084 108.756 108.800 0.066 0.000 2.141 565 G HA2 -0.250 3.711 3.960 0.003 0.000 0.242 565 G HA3 -0.250 3.711 3.960 0.003 0.000 0.242 565 G C 0.182 175.118 174.900 0.059 0.000 0.982 565 G CA -0.035 45.102 45.100 0.061 0.000 0.662 565 G HN 0.318 nan 8.290 nan 0.000 0.527 566 c N 1.555 120.185 118.600 0.050 0.000 2.388 566 c HA 0.821 5.393 4.570 0.003 0.000 0.362 566 c C 0.882 174.994 174.090 0.038 0.000 1.266 566 c CA 0.298 56.649 56.329 0.037 0.000 2.028 566 c CB 0.609 43.126 42.510 0.011 0.000 2.440 566 c HN 0.887 nan 8.230 nan 0.000 0.547 567 T N -0.355 114.223 114.554 0.041 0.000 2.861 567 T HA 0.531 4.882 4.350 0.003 0.000 0.287 567 T C -0.914 173.803 174.700 0.028 0.000 1.003 567 T CA -0.583 61.539 62.100 0.038 0.000 0.977 567 T CB 1.310 70.204 68.868 0.043 0.000 0.996 567 T HN 0.779 nan 8.240 nan 0.000 0.448 568 c N 4.406 123.021 118.600 0.025 0.000 2.437 568 c HA 0.428 5.000 4.570 0.003 0.000 0.307 568 c C 1.141 175.256 174.090 0.042 0.000 1.093 568 c CA -0.493 55.843 56.329 0.013 0.000 1.463 568 c CB -0.954 41.571 42.510 0.024 0.000 1.926 568 c HN 1.048 nan 8.230 nan 0.000 0.420 569 D N 1.428 121.854 120.400 0.043 0.000 2.286 569 D HA -0.113 4.529 4.640 0.003 0.000 0.197 569 D C 0.799 177.157 176.300 0.096 0.000 1.015 569 D CA 1.707 55.747 54.000 0.067 0.000 0.871 569 D CB -0.090 40.758 40.800 0.080 0.000 1.044 569 D HN 0.689 nan 8.370 nan 0.000 0.459 570 D N 0.631 121.146 120.400 0.192 0.000 2.372 570 D HA 0.170 4.812 4.640 0.003 0.000 0.243 570 D C 0.022 176.439 176.300 0.195 0.000 1.121 570 D CA 0.379 54.495 54.000 0.194 0.000 0.898 570 D CB 0.733 41.710 40.800 0.294 0.000 1.202 570 D HN 0.001 nan 8.370 nan 0.000 0.428 587 T N 2.172 116.732 114.554 0.011 0.000 2.821 587 T HA -0.020 4.332 4.350 0.003 0.000 0.267 587 T C 1.505 176.321 174.700 0.194 0.000 1.046 587 T CA 1.930 64.115 62.100 0.142 0.000 1.139 587 T CB -0.234 68.768 68.868 0.223 0.000 0.871 587 T HN 0.682 nan 8.240 nan 0.000 0.454 588 E N 0.903 121.211 120.200 0.181 0.000 2.001 588 E HA -0.194 4.157 4.350 0.003 0.000 0.195 588 E C 2.131 178.789 176.600 0.097 0.000 1.002 588 E CA 1.531 58.059 56.400 0.213 0.000 0.819 588 E CB -0.151 29.677 29.700 0.214 0.000 0.769 588 E HN 0.535 nan 8.360 nan 0.000 0.454 589 E N 0.062 120.282 120.200 0.033 0.000 2.196 589 E HA -0.359 3.992 4.350 0.003 0.000 0.222 589 E C 2.230 178.793 176.600 -0.061 0.000 1.072 589 E CA 1.796 58.187 56.400 -0.016 0.000 0.902 589 E CB -0.095 29.588 29.700 -0.029 0.000 0.780 589 E HN 0.051 nan 8.360 nan 0.000 0.467 590 R N -1.147 119.278 120.500 -0.126 0.000 2.153 590 R HA -0.048 4.294 4.340 0.003 0.000 0.218 590 R C 1.480 177.597 176.300 -0.306 0.000 1.072 590 R CA 1.243 57.172 56.100 -0.285 0.000 0.990 590 R CB 0.049 30.055 30.300 -0.489 0.000 0.889 590 R HN 0.465 nan 8.270 nan 0.000 0.452 591 H N -1.844 117.286 119.070 0.099 0.000 3.058 591 H HA 0.219 4.776 4.556 0.003 0.000 0.258 591 H C -0.031 175.377 175.328 0.133 0.000 1.015 591 H CA -0.148 55.991 56.048 0.153 0.000 1.210 591 H CB 1.053 30.953 29.762 0.230 0.000 1.481 591 H HN -0.104 nan 8.280 nan 0.000 0.492 592 L N 2.605 123.934 121.223 0.176 0.000 2.599 592 L HA 0.198 4.539 4.340 0.003 0.000 0.241 592 L C 1.221 178.032 176.870 -0.097 0.000 1.207 592 L CA 0.212 55.097 54.840 0.074 0.000 0.987 592 L CB 0.282 42.422 42.059 0.134 0.000 1.318 592 L HN 0.148 nan 8.230 nan 0.000 0.458 593 L N 0.666 121.682 121.223 -0.346 0.000 2.265 593 L HA -0.166 4.176 4.340 0.003 0.000 0.215 593 L C 0.722 177.193 176.870 -0.665 0.000 1.117 593 L CA 1.575 56.035 54.840 -0.633 0.000 0.782 593 L CB -0.299 41.172 42.059 -0.980 0.000 0.914 593 L HN 0.518 nan 8.230 nan 0.000 0.441 594 Y N -0.765 119.597 120.300 0.103 0.000 2.706 594 Y HA 0.572 5.124 4.550 0.003 0.000 0.255 594 Y C 1.039 176.983 175.900 0.073 0.000 1.163 594 Y CA -0.391 57.783 58.100 0.123 0.000 1.174 594 Y CB 0.036 38.635 38.460 0.232 0.000 1.200 594 Y HN 0.063 nan 8.280 nan 0.000 0.544 595 G N 1.721 110.578 108.800 0.095 0.000 2.699 595 G HA2 -0.177 3.784 3.960 0.003 0.000 0.686 595 G HA3 -0.177 3.784 3.960 0.003 0.000 0.686 595 G C -0.554 174.351 174.900 0.008 0.000 1.301 595 G CA -0.848 44.294 45.100 0.071 0.000 0.816 595 G HN 0.567 nan 8.290 nan 0.000 0.595 596 R N 0.570 121.072 120.500 0.004 0.000 2.490 596 R HA 0.583 4.924 4.340 0.003 0.000 0.280 596 R C -2.347 173.823 176.300 -0.217 0.000 1.077 596 R CA -0.963 55.063 56.100 -0.123 0.000 1.065 596 R CB 0.328 30.688 30.300 0.100 0.000 1.003 596 R HN 0.361 nan 8.270 nan 0.000 0.470 597 P HA 0.032 nan 4.420 nan 0.000 0.269 597 P C -1.001 176.139 177.300 -0.268 0.000 1.209 597 P CA -0.071 62.721 63.100 -0.514 0.000 0.776 597 P CB 0.916 32.065 31.700 -0.919 0.000 0.876 598 A N 2.947 125.639 122.820 -0.214 0.000 2.301 598 A HA 0.409 4.731 4.320 0.003 0.000 0.298 598 A C -0.259 177.255 177.584 -0.117 0.000 1.185 598 A CA -0.533 51.450 52.037 -0.089 0.000 0.830 598 A CB 0.267 19.235 19.000 -0.052 0.000 1.112 598 A HN 0.371 nan 8.150 nan 0.000 0.508 599 V N 4.123 123.989 119.914 -0.080 0.000 2.432 599 V HA 0.126 4.247 4.120 0.003 0.000 0.271 599 V C 0.596 176.633 176.094 -0.094 0.000 1.046 599 V CA 0.174 62.373 62.300 -0.169 0.000 0.945 599 V CB 0.773 32.376 31.823 -0.368 0.000 0.992 599 V HN 0.787 nan 8.190 nan 0.000 0.471 600 L N 6.560 127.793 121.223 0.017 0.000 2.791 600 L HA 0.343 4.684 4.340 0.003 0.000 0.239 600 L C -0.100 176.889 176.870 0.198 0.000 1.203 600 L CA -0.149 54.746 54.840 0.092 0.000 1.002 600 L CB -0.561 41.559 42.059 0.102 0.000 1.295 600 L HN 0.793 nan 8.230 nan 0.000 0.504 601 Y N -3.482 116.836 120.300 0.029 0.000 2.644 601 Y HA 0.772 5.323 4.550 0.002 0.000 0.338 601 Y C 0.035 175.971 175.900 0.060 0.000 1.119 601 Y CA -1.912 56.214 58.100 0.043 0.000 1.060 601 Y CB 0.535 39.021 38.460 0.043 0.000 1.294 601 Y HN -0.202 nan 8.280 nan 0.000 0.472 602 R N 0.767 121.361 120.500 0.156 0.000 2.267 602 R HA 0.718 5.059 4.340 0.003 0.000 0.319 602 R C -0.460 175.883 176.300 0.072 0.000 1.067 602 R CA 0.347 56.486 56.100 0.066 0.000 0.936 602 R CB 0.124 30.477 30.300 0.089 0.000 1.006 602 R HN 1.052 nan 8.270 nan 0.000 0.452 603 T N -0.415 114.126 114.554 -0.021 0.000 2.663 603 T HA 0.508 4.860 4.350 0.003 0.000 0.305 603 T C -1.431 173.285 174.700 0.027 0.000 1.660 603 T CA 0.259 62.369 62.100 0.015 0.000 0.976 603 T CB 1.513 70.387 68.868 0.010 0.000 1.705 603 T HN 0.938 nan 8.240 nan 0.000 0.494 604 S N 1.427 117.143 115.700 0.027 0.000 2.605 604 S HA 0.802 5.274 4.470 0.003 0.000 0.308 604 S C -1.418 173.217 174.600 0.058 0.000 1.113 604 S CA -0.556 57.643 58.200 -0.001 0.000 1.049 604 S CB 0.171 63.303 63.200 -0.113 0.000 1.001 604 S HN 0.750 nan 8.310 nan 0.000 0.480 605 Y N 1.111 121.335 120.300 -0.127 0.000 2.597 605 Y HA 0.761 5.313 4.550 0.003 0.000 0.340 605 Y C -1.445 174.389 175.900 -0.111 0.000 1.097 605 Y CA -1.155 56.878 58.100 -0.113 0.000 1.037 605 Y CB 1.054 39.453 38.460 -0.102 0.000 1.305 605 Y HN 0.340 nan 8.280 nan 0.000 0.463 606 D N 2.783 123.134 120.400 -0.082 0.000 2.350 606 D HA 0.364 5.006 4.640 0.003 0.000 0.245 606 D C -0.346 175.816 176.300 -0.229 0.000 1.036 606 D CA -0.281 53.589 54.000 -0.215 0.000 0.848 606 D CB 2.591 43.366 40.800 -0.041 0.000 1.307 606 D HN 0.460 nan 8.370 nan 0.000 0.469 607 I N 1.878 122.183 120.570 -0.441 0.000 2.474 607 I HA 0.223 4.395 4.170 0.003 0.000 0.287 607 I C 0.241 176.119 176.117 -0.398 0.000 1.048 607 I CA -0.196 60.854 61.300 -0.417 0.000 1.383 607 I CB 0.296 37.961 38.000 -0.557 0.000 1.412 607 I HN 0.172 nan 8.210 nan 0.000 0.531 608 L N 7.147 128.148 121.223 -0.368 0.000 2.381 608 L HA 0.441 4.782 4.340 0.003 0.000 0.274 608 L C -1.018 175.614 176.870 -0.396 0.000 0.988 608 L CA -0.809 53.848 54.840 -0.304 0.000 0.824 608 L CB 1.616 43.672 42.059 -0.005 0.000 1.263 608 L HN 0.359 nan 8.230 nan 0.000 0.410 609 Y N 0.717 120.874 120.300 -0.237 0.000 2.419 609 Y HA 0.647 5.198 4.550 0.002 0.000 0.328 609 Y C -0.105 175.376 175.900 -0.699 0.000 1.162 609 Y CA -0.615 57.349 58.100 -0.226 0.000 1.174 609 Y CB 1.453 39.858 38.460 -0.091 0.000 1.228 609 Y HN 0.477 nan 8.280 nan 0.000 0.473 610 H N -2.240 116.691 119.070 -0.232 0.000 3.017 610 H HA 0.270 4.828 4.556 0.003 0.000 0.346 610 H C 0.465 175.652 175.328 -0.236 0.000 1.286 610 H CA -0.731 55.069 56.048 -0.414 0.000 1.120 610 H CB 1.136 30.236 29.762 -1.103 0.000 1.860 610 H HN 0.537 nan 8.280 nan 0.000 0.542 611 T N -0.198 114.337 114.554 -0.032 0.000 2.720 611 T HA -0.137 4.215 4.350 0.003 0.000 0.268 611 T C 0.570 175.336 174.700 0.110 0.000 1.037 611 T CA 2.033 64.161 62.100 0.046 0.000 1.144 611 T CB -0.160 68.740 68.868 0.054 0.000 0.864 611 T HN 0.556 nan 8.240 nan 0.000 0.444 612 D N -0.001 120.332 120.400 -0.112 0.000 2.379 612 D HA 0.283 4.924 4.640 0.003 0.000 0.208 612 D C -0.009 175.728 176.300 -0.939 0.000 1.065 612 D CA 0.023 53.862 54.000 -0.268 0.000 0.848 612 D CB 0.336 40.964 40.800 -0.287 0.000 0.949 612 D HN 0.551 nan 8.370 nan 0.000 0.509 613 F N -1.111 118.308 119.950 -0.885 0.000 2.744 613 F HA 0.503 5.031 4.527 0.002 0.000 0.311 613 F C -1.367 174.369 175.800 -0.107 0.000 1.144 613 F CA -1.263 56.317 58.000 -0.701 0.000 0.938 613 F CB 1.362 39.835 39.000 -0.878 0.000 1.292 613 F HN -0.299 nan 8.300 nan 0.000 0.444 614 E N 1.260 121.607 120.200 0.245 0.000 2.299 614 E HA 0.811 5.163 4.350 0.003 0.000 0.265 614 E C -1.578 175.255 176.600 0.389 0.000 0.911 614 E CA -0.893 55.687 56.400 0.300 0.000 0.789 614 E CB 2.354 32.310 29.700 0.426 0.000 1.246 614 E HN 1.004 nan 8.360 nan 0.000 0.427 615 S N 0.607 116.341 115.700 0.057 0.000 2.550 615 S HA 0.626 5.097 4.470 0.003 0.000 0.270 615 S C -0.531 173.527 174.600 -0.902 0.000 1.145 615 S CA -0.669 57.303 58.200 -0.379 0.000 0.852 615 S CB 1.402 64.621 63.200 0.031 0.000 1.119 615 S HN 0.587 nan 8.310 nan 0.000 0.465 616 G N 1.387 109.172 108.800 -1.691 0.000 2.741 616 G HA2 0.452 4.414 3.960 0.003 0.000 0.336 616 G HA3 0.452 4.414 3.960 0.003 0.000 0.336 616 G C -0.989 173.709 174.900 -0.336 0.000 1.022 616 G CA -0.491 44.072 45.100 -0.896 0.000 1.193 616 G HN 0.702 nan 8.290 nan 0.000 0.455 617 Y N 3.320 123.525 120.300 -0.159 0.000 2.359 617 Y HA 0.472 5.024 4.550 0.003 0.000 0.334 617 Y C 0.648 176.584 175.900 0.059 0.000 1.058 617 Y CA -0.455 57.626 58.100 -0.032 0.000 1.244 617 Y CB 1.362 39.823 38.460 0.002 0.000 1.187 617 Y HN 0.384 nan 8.280 nan 0.000 0.510 618 S N 4.802 120.210 115.700 -0.486 0.000 2.489 618 S HA 0.161 4.633 4.470 0.003 0.000 0.277 618 S C 0.584 174.940 174.600 -0.407 0.000 1.230 618 S CA -0.547 57.514 58.200 -0.232 0.000 1.053 618 S CB 0.527 63.734 63.200 0.010 0.000 0.955 618 S HN 0.917 nan 8.310 nan 0.000 0.488 619 E N 3.869 123.942 120.200 -0.211 0.000 2.511 619 E HA -0.007 4.345 4.350 0.003 0.000 0.196 619 E C 0.975 177.408 176.600 -0.280 0.000 1.066 619 E CA 0.378 56.601 56.400 -0.296 0.000 0.871 619 E CB 0.107 29.365 29.700 -0.736 0.000 0.863 619 E HN 0.661 nan 8.360 nan 0.000 0.520 620 I N -0.725 119.690 120.570 -0.257 0.000 2.729 620 I HA -0.046 4.125 4.170 0.003 0.000 0.256 620 I C 1.370 177.176 176.117 -0.518 0.000 1.115 620 I CA 0.952 62.008 61.300 -0.407 0.000 1.446 620 I CB -0.448 37.200 38.000 -0.586 0.000 1.176 620 I HN 0.064 nan 8.210 nan 0.000 0.446 621 F N 0.865 120.755 119.950 -0.100 0.000 2.727 621 F HA 0.336 4.865 4.527 0.003 0.000 0.302 621 F C 1.129 176.899 175.800 -0.050 0.000 1.097 621 F CA 0.032 57.974 58.000 -0.097 0.000 1.330 621 F CB -0.125 38.780 39.000 -0.158 0.000 1.084 621 F HN -0.139 nan 8.300 nan 0.000 0.578 622 L N 0.589 121.803 121.223 -0.016 0.000 3.898 622 L HA -0.259 4.083 4.340 0.003 0.000 0.407 622 L C -0.341 176.542 176.870 0.021 0.000 1.207 622 L CA 0.344 55.205 54.840 0.035 0.000 0.931 622 L CB -2.232 39.934 42.059 0.179 0.000 2.014 622 L HN 0.472 nan 8.230 nan 0.000 0.858 623 M N -4.187 115.247 119.600 -0.276 0.000 2.790 623 M HA 0.654 5.135 4.480 0.003 0.000 0.272 623 M C -3.018 173.163 176.300 -0.197 0.000 1.168 623 M CA -1.732 53.536 55.300 -0.053 0.000 0.829 623 M CB 1.863 34.570 32.600 0.178 0.000 1.675 623 M HN -0.315 nan 8.290 nan 0.000 0.505 624 P HA 0.192 nan 4.420 nan 0.000 0.268 624 P C 0.140 177.465 177.300 0.042 0.000 1.205 624 P CA -0.124 62.986 63.100 0.016 0.000 0.771 624 P CB 0.517 32.279 31.700 0.103 0.000 0.858 625 L N 1.606 122.819 121.223 -0.015 0.000 2.341 625 L HA 0.132 4.473 4.340 0.003 0.000 0.214 625 L C 0.665 177.788 176.870 0.420 0.000 1.115 625 L CA 0.582 55.524 54.840 0.170 0.000 0.820 625 L CB -0.340 41.795 42.059 0.126 0.000 0.944 625 L HN 0.527 nan 8.230 nan 0.000 0.452 626 W N -2.063 119.395 121.300 0.264 0.000 3.419 626 W HA 0.483 5.145 4.660 0.003 0.000 0.298 626 W C -1.533 175.170 176.519 0.307 0.000 1.260 626 W CA -0.783 56.766 57.345 0.339 0.000 1.199 626 W CB 0.788 30.496 29.460 0.413 0.000 1.349 626 W HN -0.457 nan 8.180 nan 0.000 0.557 627 T N 2.285 117.238 114.554 0.665 0.000 2.937 627 T HA 0.355 4.707 4.350 0.003 0.000 0.297 627 T C -1.022 174.106 174.700 0.713 0.000 0.991 627 T CA -0.342 62.103 62.100 0.574 0.000 0.990 627 T CB 1.758 70.852 68.868 0.377 0.000 0.991 627 T HN 0.478 nan 8.240 nan 0.000 0.440 628 S N 3.232 119.395 115.700 0.771 0.000 2.473 628 S HA 0.836 5.307 4.470 0.003 0.000 0.307 628 S C -1.448 173.489 174.600 0.562 0.000 1.094 628 S CA -0.642 57.912 58.200 0.591 0.000 1.070 628 S CB 0.376 63.889 63.200 0.521 0.000 1.019 628 S HN 0.666 nan 8.310 nan 0.000 0.480 629 Y N 0.005 120.509 120.300 0.339 0.000 2.558 629 Y HA 0.656 5.208 4.550 0.003 0.000 0.333 629 Y C -0.808 175.337 175.900 0.408 0.000 1.125 629 Y CA -1.008 57.267 58.100 0.292 0.000 1.039 629 Y CB 0.661 39.267 38.460 0.243 0.000 1.331 629 Y HN 0.355 nan 8.280 nan 0.000 0.456 630 T N 4.946 119.931 114.554 0.718 0.000 2.824 630 T HA 0.607 4.958 4.350 0.003 0.000 0.280 630 T C -0.824 174.128 174.700 0.420 0.000 0.995 630 T CA -0.531 61.812 62.100 0.404 0.000 1.009 630 T CB 0.904 69.918 68.868 0.243 0.000 0.955 630 T HN 0.500 nan 8.240 nan 0.000 0.452 631 I N 3.600 124.337 120.570 0.278 0.000 2.411 631 I HA 0.264 4.435 4.170 0.003 0.000 0.284 631 I C 0.885 177.091 176.117 0.148 0.000 1.012 631 I CA -0.785 60.655 61.300 0.233 0.000 1.119 631 I CB 1.179 39.302 38.000 0.204 0.000 1.261 631 I HN 0.739 nan 8.210 nan 0.000 0.448 632 S N 5.183 120.960 115.700 0.129 0.000 2.593 632 S HA 0.173 4.645 4.470 0.003 0.000 0.269 632 S C 1.257 175.901 174.600 0.072 0.000 1.334 632 S CA -0.421 57.834 58.200 0.092 0.000 1.015 632 S CB 1.579 64.826 63.200 0.079 0.000 0.912 632 S HN 0.716 nan 8.310 nan 0.000 0.541 633 K N 0.831 121.270 120.400 0.064 0.000 2.127 633 K HA -0.248 4.074 4.320 0.003 0.000 0.208 633 K C 1.670 178.292 176.600 0.036 0.000 1.047 633 K CA 1.991 58.309 56.287 0.051 0.000 0.927 633 K CB -0.244 32.288 32.500 0.054 0.000 0.716 633 K HN 0.723 nan 8.250 nan 0.000 0.450 634 Q N 0.069 119.892 119.800 0.039 0.000 2.424 634 Q HA 0.241 4.582 4.340 0.003 0.000 0.204 634 Q C 0.202 176.218 176.000 0.027 0.000 0.933 634 Q CA 0.479 56.300 55.803 0.029 0.000 0.929 634 Q CB 0.370 29.127 28.738 0.032 0.000 1.037 634 Q HN 0.381 nan 8.270 nan 0.000 0.511 635 A N 1.568 124.411 122.820 0.038 0.000 2.632 635 A HA -0.104 4.218 4.320 0.003 0.000 0.229 635 A C 0.067 177.660 177.584 0.015 0.000 1.047 635 A CA 0.443 52.505 52.037 0.041 0.000 0.754 635 A CB 0.173 19.209 19.000 0.060 0.000 0.969 635 A HN 0.104 nan 8.150 nan 0.000 0.509 636 E N 1.257 121.468 120.200 0.019 0.000 2.156 636 E HA 0.332 4.683 4.350 0.003 0.000 0.279 636 E C -0.820 175.773 176.600 -0.012 0.000 0.965 636 E CA -0.540 55.861 56.400 0.003 0.000 0.789 636 E CB 1.634 31.343 29.700 0.014 0.000 1.098 636 E HN 0.362 nan 8.360 nan 0.000 0.397 637 V N 3.718 123.610 119.914 -0.037 0.000 2.387 637 V HA 0.041 4.163 4.120 0.003 0.000 0.260 637 V C 0.539 176.622 176.094 -0.019 0.000 1.054 637 V CA -0.109 62.160 62.300 -0.051 0.000 0.967 637 V CB 0.200 31.962 31.823 -0.102 0.000 1.036 637 V HN 0.602 nan 8.190 nan 0.000 0.481 638 S N 3.865 119.568 115.700 0.005 0.000 2.549 638 S HA 0.651 5.123 4.470 0.003 0.000 0.297 638 S C 0.016 174.648 174.600 0.054 0.000 1.115 638 S CA -0.766 57.445 58.200 0.017 0.000 1.059 638 S CB 1.686 64.891 63.200 0.008 0.000 1.046 638 S HN 0.585 nan 8.310 nan 0.000 0.506 639 S N 1.480 117.209 115.700 0.048 0.000 2.614 639 S HA 0.390 4.861 4.470 0.003 0.000 0.265 639 S C 0.131 174.728 174.600 -0.004 0.000 1.303 639 S CA -0.776 57.471 58.200 0.078 0.000 1.000 639 S CB -0.014 63.215 63.200 0.048 0.000 0.935 639 S HN 0.702 nan 8.310 nan 0.000 0.551 640 I N 2.672 123.226 120.570 -0.028 0.000 2.301 640 I HA 0.231 4.403 4.170 0.003 0.000 0.292 640 I C -2.181 173.883 176.117 -0.088 0.000 1.046 640 I CA -2.137 59.102 61.300 -0.101 0.000 1.282 640 I CB 0.667 38.586 38.000 -0.135 0.000 1.409 640 I HN 0.338 nan 8.210 nan 0.000 0.484 641 P HA 0.024 nan 4.420 nan 0.000 0.265 641 P C 0.922 178.100 177.300 -0.204 0.000 1.187 641 P CA 0.241 63.244 63.100 -0.162 0.000 0.766 641 P CB 0.630 32.166 31.700 -0.274 0.000 0.820 642 E N 2.229 122.396 120.200 -0.056 0.000 2.209 642 E HA -0.262 4.090 4.350 0.003 0.000 0.196 642 E C 1.564 178.141 176.600 -0.039 0.000 0.993 642 E CA 1.861 58.247 56.400 -0.023 0.000 0.819 642 E CB -1.409 28.311 29.700 0.034 0.000 0.745 642 E HN 0.812 nan 8.360 nan 0.000 0.477 643 H N -1.035 118.003 119.070 -0.053 0.000 2.548 643 H HA 0.248 4.805 4.556 0.003 0.000 0.268 643 H C 1.725 176.982 175.328 -0.119 0.000 0.975 643 H CA 0.863 56.875 56.048 -0.060 0.000 1.195 643 H CB -0.050 29.689 29.762 -0.039 0.000 1.397 643 H HN 0.404 nan 8.280 nan 0.000 0.572 644 L N 0.663 121.530 121.223 -0.594 0.000 2.640 644 L HA 0.090 4.431 4.340 0.003 0.000 0.230 644 L C 1.993 178.613 176.870 -0.416 0.000 1.123 644 L CA 0.052 54.493 54.840 -0.664 0.000 0.900 644 L CB 0.099 41.549 42.059 -1.015 0.000 1.146 644 L HN 0.091 nan 8.230 nan 0.000 0.484 645 T N 0.633 115.070 114.554 -0.195 0.000 2.592 645 T HA -0.283 4.068 4.350 0.003 0.000 0.267 645 T C 1.212 175.934 174.700 0.038 0.000 1.060 645 T CA 2.157 64.231 62.100 -0.044 0.000 1.167 645 T CB -0.340 68.518 68.868 -0.016 0.000 0.863 645 T HN 0.474 nan 8.240 nan 0.000 0.431 646 N N 0.030 118.747 118.700 0.027 0.000 2.295 646 N HA 0.213 4.955 4.740 0.003 0.000 0.221 646 N C -0.154 175.420 175.510 0.106 0.000 1.129 646 N CA -0.487 52.638 53.050 0.124 0.000 0.836 646 N CB 0.146 38.696 38.487 0.106 0.000 1.040 646 N HN 0.320 nan 8.380 nan 0.000 0.494 647 c N 1.673 120.246 118.600 -0.044 0.000 2.624 647 c HA 0.310 4.882 4.570 0.003 0.000 0.397 647 c C 0.153 174.292 174.090 0.082 0.000 1.331 647 c CA -0.200 56.040 56.329 -0.149 0.000 1.716 647 c CB -1.397 40.734 42.510 -0.631 0.000 2.452 647 c HN 0.035 nan 8.230 nan 0.000 0.586 648 V N 8.516 128.485 119.914 0.091 0.000 2.525 648 V HA 0.558 4.679 4.120 0.003 0.000 0.299 648 V C -0.234 175.891 176.094 0.051 0.000 1.034 648 V CA -0.515 61.858 62.300 0.121 0.000 0.863 648 V CB 1.618 33.460 31.823 0.031 0.000 0.999 648 V HN 0.836 nan 8.190 nan 0.000 0.423 649 R N 5.439 125.973 120.500 0.056 0.000 2.387 649 R HA 0.510 4.852 4.340 0.003 0.000 0.314 649 R C -2.743 173.493 176.300 -0.107 0.000 0.958 649 R CA -1.896 54.201 56.100 -0.005 0.000 0.846 649 R CB 2.156 32.487 30.300 0.052 0.000 1.147 649 R HN 0.407 nan 8.270 nan 0.000 0.447 650 P HA -0.101 nan 4.420 nan 0.000 0.269 650 P C -0.791 176.218 177.300 -0.484 0.000 1.217 650 P CA 0.109 62.849 63.100 -0.599 0.000 0.783 650 P CB 0.644 31.651 31.700 -1.154 0.000 0.898 651 D N 1.218 121.311 120.400 -0.511 0.000 2.461 651 D HA 0.098 4.740 4.640 0.003 0.000 0.240 651 D C 1.091 177.354 176.300 -0.061 0.000 1.094 651 D CA -0.687 53.188 54.000 -0.208 0.000 0.868 651 D CB 0.825 41.536 40.800 -0.149 0.000 1.062 651 D HN 0.048 nan 8.370 nan 0.000 0.530 652 V N 2.592 122.544 119.914 0.062 0.000 3.330 652 V HA -0.079 4.042 4.120 0.003 0.000 0.273 652 V C 1.700 177.984 176.094 0.316 0.000 1.179 652 V CA 0.972 63.456 62.300 0.307 0.000 1.174 652 V CB -0.806 31.167 31.823 0.249 0.000 0.794 652 V HN 0.349 nan 8.190 nan 0.000 0.527 653 R N -0.035 120.572 120.500 0.177 0.000 2.246 653 R HA 0.325 4.666 4.340 0.003 0.000 0.199 653 R C 0.069 176.489 176.300 0.200 0.000 0.984 653 R CA 0.283 56.484 56.100 0.168 0.000 1.015 653 R CB 0.401 30.737 30.300 0.060 0.000 0.930 653 R HN 0.508 nan 8.270 nan 0.000 0.475 654 V N 0.637 120.636 119.914 0.141 0.000 2.540 654 V HA 0.150 4.271 4.120 0.003 0.000 0.302 654 V C 0.037 176.122 176.094 -0.014 0.000 1.035 654 V CA -0.986 61.368 62.300 0.091 0.000 0.873 654 V CB 1.850 33.636 31.823 -0.061 0.000 0.992 654 V HN 0.120 nan 8.190 nan 0.000 0.428 655 S N 5.492 121.130 115.700 -0.104 0.000 2.558 655 S HA 0.096 4.568 4.470 0.003 0.000 0.287 655 S C -1.315 173.129 174.600 -0.259 0.000 1.321 655 S CA -0.285 57.584 58.200 -0.551 0.000 1.048 655 S CB 0.899 63.959 63.200 -0.235 0.000 0.844 655 S HN 0.624 nan 8.310 nan 0.000 0.512 656 P HA 0.005 nan 4.420 nan 0.000 0.218 656 P C 1.437 178.679 177.300 -0.096 0.000 1.148 656 P CA 1.359 64.384 63.100 -0.126 0.000 0.822 656 P CB -0.279 31.172 31.700 -0.415 0.000 0.784 657 G N -1.873 106.763 108.800 -0.274 0.000 2.471 657 G HA2 -0.162 3.800 3.960 0.003 0.000 0.219 657 G HA3 -0.162 3.800 3.960 0.003 0.000 0.219 657 G C 0.689 175.418 174.900 -0.285 0.000 1.125 657 G CA 0.108 45.001 45.100 -0.344 0.000 0.775 657 G HN 0.280 nan 8.290 nan 0.000 0.548 658 F N 1.244 121.222 119.950 0.046 0.000 2.837 658 F HA 0.400 4.928 4.527 0.003 0.000 0.298 658 F C 0.478 176.403 175.800 0.208 0.000 1.161 658 F CA -0.653 57.417 58.000 0.117 0.000 1.353 658 F CB 0.744 39.829 39.000 0.142 0.000 0.951 658 F HN -0.086 nan 8.300 nan 0.000 0.508 659 S N -0.244 115.629 115.700 0.289 0.000 2.600 659 S HA 0.407 4.879 4.470 0.003 0.000 0.300 659 S C -0.314 174.415 174.600 0.215 0.000 1.087 659 S CA -0.869 57.489 58.200 0.265 0.000 0.965 659 S CB 1.991 65.306 63.200 0.192 0.000 1.089 659 S HN 0.184 nan 8.310 nan 0.000 0.496 660 Q N 1.090 121.023 119.800 0.222 0.000 2.396 660 Q HA 0.360 4.701 4.340 0.003 0.000 0.221 660 Q C -0.358 175.726 176.000 0.140 0.000 1.025 660 Q CA -0.440 55.474 55.803 0.185 0.000 0.946 660 Q CB 0.369 29.255 28.738 0.247 0.000 1.224 660 Q HN 0.758 nan 8.270 nan 0.000 0.539 661 N N -2.001 116.771 118.700 0.119 0.000 2.229 661 N HA 0.265 5.007 4.740 0.003 0.000 0.298 661 N C -0.652 174.940 175.510 0.136 0.000 1.114 661 N CA -0.756 52.354 53.050 0.100 0.000 0.776 661 N CB 1.045 39.573 38.487 0.069 0.000 1.501 661 N HN 0.452 nan 8.380 nan 0.000 0.474 662 c N 0.525 119.200 118.600 0.125 0.000 2.448 662 c HA 0.042 4.614 4.570 0.003 0.000 0.280 662 c C 2.284 176.475 174.090 0.168 0.000 1.398 662 c CA -0.130 56.303 56.329 0.173 0.000 1.774 662 c CB -1.552 41.004 42.510 0.077 0.000 1.888 662 c HN 0.820 nan 8.230 nan 0.000 0.519 663 L N 2.182 123.463 121.223 0.097 0.000 2.042 663 L HA -0.103 4.239 4.340 0.003 0.000 0.210 663 L C 2.635 179.531 176.870 0.043 0.000 1.076 663 L CA 2.259 57.141 54.840 0.069 0.000 0.749 663 L CB -0.693 41.392 42.059 0.044 0.000 0.893 663 L HN 0.270 nan 8.230 nan 0.000 0.432 664 A N -1.176 121.633 122.820 -0.018 0.000 1.883 664 A HA -0.273 4.049 4.320 0.003 0.000 0.217 664 A C 2.115 179.612 177.584 -0.145 0.000 1.186 664 A CA 2.164 54.125 52.037 -0.126 0.000 0.624 664 A CB -1.184 17.662 19.000 -0.256 0.000 0.822 664 A HN 0.580 nan 8.150 nan 0.000 0.444 665 Y N -0.129 120.211 120.300 0.068 0.000 2.089 665 Y HA -0.136 4.415 4.550 0.003 0.000 0.282 665 Y C 3.042 179.003 175.900 0.102 0.000 1.139 665 Y CA 2.162 60.325 58.100 0.104 0.000 1.123 665 Y CB -0.606 37.949 38.460 0.159 0.000 0.980 665 Y HN 0.366 nan 8.280 nan 0.000 0.493 666 K N 0.781 121.327 120.400 0.243 0.000 2.107 666 K HA -0.300 4.022 4.320 0.003 0.000 0.211 666 K C 1.519 178.188 176.600 0.115 0.000 1.049 666 K CA 2.432 58.817 56.287 0.162 0.000 0.927 666 K CB -1.598 30.976 32.500 0.123 0.000 0.714 666 K HN 0.713 nan 8.250 nan 0.000 0.452 667 N N -0.314 118.437 118.700 0.085 0.000 2.368 667 N HA -0.048 4.694 4.740 0.003 0.000 0.176 667 N C 0.144 175.688 175.510 0.057 0.000 1.021 667 N CA 0.073 53.158 53.050 0.058 0.000 0.888 667 N CB 0.258 38.765 38.487 0.035 0.000 0.995 667 N HN 0.435 nan 8.380 nan 0.000 0.437 668 D N 1.527 121.962 120.400 0.057 0.000 2.342 668 D HA 0.014 4.656 4.640 0.003 0.000 0.260 668 D C 0.776 177.135 176.300 0.097 0.000 1.278 668 D CA 0.259 54.297 54.000 0.063 0.000 0.910 668 D CB 0.917 41.741 40.800 0.040 0.000 1.079 668 D HN 0.193 nan 8.370 nan 0.000 0.496 669 K N 3.282 123.734 120.400 0.087 0.000 2.504 669 K HA -0.079 4.243 4.320 0.003 0.000 0.195 669 K C 1.665 178.332 176.600 0.112 0.000 1.036 669 K CA 1.049 57.390 56.287 0.090 0.000 0.984 669 K CB -0.202 32.339 32.500 0.069 0.000 0.788 669 K HN 0.630 nan 8.250 nan 0.000 0.488 670 Q N -1.985 117.900 119.800 0.142 0.000 2.391 670 Q HA 0.268 4.609 4.340 0.003 0.000 0.243 670 Q C 0.139 176.302 176.000 0.271 0.000 0.874 670 Q CA -0.123 55.804 55.803 0.207 0.000 0.950 670 Q CB 0.550 29.435 28.738 0.245 0.000 1.103 670 Q HN 0.493 nan 8.270 nan 0.000 0.544 671 M N 0.814 120.523 119.600 0.182 0.000 2.205 671 M HA 0.294 4.775 4.480 0.003 0.000 0.344 671 M C -0.341 176.098 176.300 0.233 0.000 1.085 671 M CA -0.186 55.184 55.300 0.117 0.000 1.001 671 M CB 1.664 34.277 32.600 0.021 0.000 1.626 671 M HN -0.083 nan 8.290 nan 0.000 0.442 672 S N 3.878 119.684 115.700 0.177 0.000 2.505 672 S HA 0.824 5.295 4.470 0.003 0.000 0.273 672 S C -1.220 173.385 174.600 0.008 0.000 1.123 672 S CA -0.331 57.933 58.200 0.107 0.000 1.006 672 S CB 0.580 63.748 63.200 -0.054 0.000 1.243 672 S HN 0.739 nan 8.310 nan 0.000 0.498 673 Y N -2.075 118.037 120.300 -0.313 0.000 2.655 673 Y HA 0.847 5.398 4.550 0.003 0.000 0.336 673 Y C -0.212 175.400 175.900 -0.480 0.000 1.154 673 Y CA -0.691 57.092 58.100 -0.528 0.000 1.055 673 Y CB 0.792 38.637 38.460 -1.024 0.000 1.295 673 Y HN 0.817 nan 8.280 nan 0.000 0.465 674 G N 0.296 108.862 108.800 -0.389 0.000 2.788 674 G HA2 0.656 4.618 3.960 0.003 0.000 0.293 674 G HA3 0.656 4.618 3.960 0.003 0.000 0.293 674 G C -2.444 172.106 174.900 -0.584 0.000 1.392 674 G CA -1.097 43.713 45.100 -0.483 0.000 0.810 674 G HN 0.455 nan 8.290 nan 0.000 0.508 675 F N -0.191 119.814 119.950 0.092 0.000 2.532 675 F HA 0.497 5.026 4.527 0.003 0.000 0.321 675 F C 1.244 177.132 175.800 0.146 0.000 1.089 675 F CA -0.869 57.147 58.000 0.027 0.000 0.926 675 F CB 2.135 41.058 39.000 -0.129 0.000 1.168 675 F HN 0.224 nan 8.300 nan 0.000 0.459 676 L N 0.970 122.342 121.223 0.249 0.000 2.044 676 L HA -0.045 4.297 4.340 0.003 0.000 0.205 676 L C 0.559 177.519 176.870 0.150 0.000 1.075 676 L CA 1.058 56.076 54.840 0.296 0.000 0.747 676 L CB -0.095 42.091 42.059 0.212 0.000 0.903 676 L HN 0.432 nan 8.230 nan 0.000 0.435 677 F N 3.434 123.159 119.950 -0.374 0.000 2.424 677 F HA 0.312 4.841 4.527 0.002 0.000 0.356 677 F C -2.143 173.308 175.800 -0.581 0.000 1.110 677 F CA -3.215 54.313 58.000 -0.787 0.000 1.161 677 F CB 0.616 38.696 39.000 -1.534 0.000 1.115 677 F HN -0.215 nan 8.300 nan 0.000 0.507 678 P HA 0.224 nan 4.420 nan 0.000 0.287 678 P C -2.533 174.204 177.300 -0.939 0.000 1.294 678 P CA -1.709 60.922 63.100 -0.781 0.000 0.776 678 P CB 1.221 32.582 31.700 -0.566 0.000 0.889 679 P HA -0.154 nan 4.420 nan 0.000 0.220 679 P C 0.901 177.859 177.300 -0.570 0.000 1.144 679 P CA 1.445 64.085 63.100 -0.767 0.000 0.800 679 P CB -0.505 30.587 31.700 -1.014 0.000 0.772 680 Y N -1.400 118.673 120.300 -0.379 0.000 2.483 680 Y HA -0.046 4.505 4.550 0.003 0.000 0.291 680 Y C 1.779 177.512 175.900 -0.278 0.000 1.143 680 Y CA 0.580 58.507 58.100 -0.289 0.000 1.289 680 Y CB -0.740 37.541 38.460 -0.299 0.000 0.983 680 Y HN -0.055 nan 8.280 nan 0.000 0.556 681 L N -0.438 120.625 121.223 -0.266 0.000 2.959 681 L HA 0.185 4.527 4.340 0.003 0.000 0.259 681 L C 0.735 177.600 176.870 -0.008 0.000 1.185 681 L CA -0.402 54.325 54.840 -0.188 0.000 0.998 681 L CB -0.007 41.866 42.059 -0.309 0.000 1.337 681 L HN 0.009 nan 8.230 nan 0.000 0.555 682 S N -0.460 115.242 115.700 0.003 0.000 2.558 682 S HA -0.046 4.425 4.470 0.003 0.000 0.287 682 S C 1.289 175.971 174.600 0.137 0.000 1.321 682 S CA 0.078 58.375 58.200 0.162 0.000 1.048 682 S CB 1.009 64.252 63.200 0.070 0.000 0.844 682 S HN 0.376 nan 8.310 nan 0.000 0.512 683 S N 0.280 116.077 115.700 0.162 0.000 2.593 683 S HA 0.335 4.807 4.470 0.003 0.000 0.217 683 S C 0.385 175.044 174.600 0.100 0.000 0.966 683 S CA -0.009 58.270 58.200 0.131 0.000 0.914 683 S CB -0.985 62.302 63.200 0.144 0.000 0.776 683 S HN 1.801 nan 8.310 nan 0.000 0.523 684 S N -1.125 114.633 115.700 0.098 0.000 2.675 684 S HA 0.363 4.834 4.470 0.003 0.000 0.297 684 S C -3.136 171.527 174.600 0.105 0.000 1.035 684 S CA -0.883 57.371 58.200 0.090 0.000 0.852 684 S CB 0.608 63.861 63.200 0.088 0.000 1.051 684 S HN -0.067 nan 8.310 nan 0.000 0.451 685 P HA -0.168 nan 4.420 nan 0.000 0.218 685 P C 1.365 178.798 177.300 0.222 0.000 1.146 685 P CA 1.678 64.856 63.100 0.130 0.000 0.820 685 P CB 0.140 31.915 31.700 0.124 0.000 0.778 686 E N -0.199 120.116 120.200 0.192 0.000 2.001 686 E HA -0.201 4.150 4.350 0.003 0.000 0.195 686 E C 2.010 178.767 176.600 0.262 0.000 1.002 686 E CA 1.345 57.873 56.400 0.214 0.000 0.819 686 E CB -0.661 29.109 29.700 0.117 0.000 0.769 686 E HN 0.063 nan 8.360 nan 0.000 0.454 687 A N 1.722 124.650 122.820 0.179 0.000 1.948 687 A HA -0.261 4.060 4.320 0.003 0.000 0.220 687 A C 2.137 179.835 177.584 0.190 0.000 1.177 687 A CA 1.988 54.124 52.037 0.166 0.000 0.636 687 A CB -0.731 18.347 19.000 0.130 0.000 0.815 687 A HN 0.363 nan 8.150 nan 0.000 0.449 688 K N -1.548 118.949 120.400 0.162 0.000 2.228 688 K HA -0.242 4.080 4.320 0.003 0.000 0.205 688 K C 1.509 178.181 176.600 0.120 0.000 1.045 688 K CA 1.891 58.223 56.287 0.075 0.000 0.931 688 K CB -0.366 32.147 32.500 0.021 0.000 0.727 688 K HN 0.602 nan 8.250 nan 0.000 0.458 689 Y N 1.243 121.662 120.300 0.199 0.000 2.421 689 Y HA -0.164 4.387 4.550 0.003 0.000 0.292 689 Y C 1.948 177.970 175.900 0.203 0.000 1.136 689 Y CA 1.182 59.435 58.100 0.254 0.000 1.255 689 Y CB 0.043 38.581 38.460 0.130 0.000 0.991 689 Y HN 0.192 nan 8.280 nan 0.000 0.552 690 D N -0.426 120.133 120.400 0.265 0.000 2.178 690 D HA -0.131 4.511 4.640 0.003 0.000 0.202 690 D C 2.204 178.586 176.300 0.136 0.000 0.974 690 D CA 1.194 55.331 54.000 0.228 0.000 0.841 690 D CB -0.254 40.690 40.800 0.241 0.000 0.953 690 D HN 0.342 nan 8.370 nan 0.000 0.478 691 A N -0.085 122.687 122.820 -0.080 0.000 2.067 691 A HA -0.104 4.218 4.320 0.003 0.000 0.219 691 A C 1.493 178.497 177.584 -0.966 0.000 1.158 691 A CA 0.647 52.392 52.037 -0.486 0.000 0.661 691 A CB -0.722 17.856 19.000 -0.703 0.000 0.801 691 A HN 0.172 nan 8.150 nan 0.000 0.452 692 F N -0.223 119.448 119.950 -0.465 0.000 2.732 692 F HA 0.314 4.843 4.527 0.003 0.000 0.303 692 F C 0.546 176.236 175.800 -0.184 0.000 1.110 692 F CA -0.357 57.321 58.000 -0.537 0.000 1.355 692 F CB -0.286 38.523 39.000 -0.317 0.000 1.081 692 F HN -0.013 nan 8.300 nan 0.000 0.565 693 L N 0.001 121.237 121.223 0.022 0.000 2.483 693 L HA -0.027 4.314 4.340 0.003 0.000 0.276 693 L C 1.745 178.671 176.870 0.094 0.000 1.213 693 L CA -0.088 54.794 54.840 0.071 0.000 0.843 693 L CB 0.819 42.940 42.059 0.104 0.000 1.107 693 L HN -0.059 nan 8.230 nan 0.000 0.487 694 V N 1.604 121.541 119.914 0.038 0.000 2.867 694 V HA -0.200 3.922 4.120 0.003 0.000 0.260 694 V C 1.988 178.145 176.094 0.106 0.000 1.099 694 V CA 2.296 64.628 62.300 0.053 0.000 1.122 694 V CB -0.379 31.430 31.823 -0.024 0.000 0.708 694 V HN 1.085 nan 8.190 nan 0.000 0.490 695 T N -2.799 111.786 114.554 0.052 0.000 3.107 695 T HA 0.060 4.411 4.350 0.003 0.000 0.249 695 T C 1.325 176.163 174.700 0.229 0.000 1.096 695 T CA 0.787 62.912 62.100 0.041 0.000 1.012 695 T CB -0.348 68.330 68.868 -0.317 0.000 0.977 695 T HN 0.467 nan 8.240 nan 0.000 0.527 696 N N 1.149 119.974 118.700 0.209 0.000 2.205 696 N HA 0.220 4.962 4.740 0.003 0.000 0.201 696 N C 0.412 176.120 175.510 0.330 0.000 1.128 696 N CA -0.429 52.740 53.050 0.199 0.000 0.867 696 N CB -0.026 38.478 38.487 0.030 0.000 0.996 696 N HN 0.677 nan 8.380 nan 0.000 0.503 697 M N 0.558 120.346 119.600 0.313 0.000 2.277 697 M HA 0.523 5.004 4.480 0.003 0.000 0.350 697 M C -0.702 175.647 176.300 0.081 0.000 1.180 697 M CA -0.714 54.676 55.300 0.151 0.000 1.103 697 M CB 1.630 34.227 32.600 -0.004 0.000 1.577 697 M HN -0.146 nan 8.290 nan 0.000 0.459 698 V N 0.295 120.186 119.914 -0.038 0.000 3.007 698 V HA 0.751 4.872 4.120 0.003 0.000 0.311 698 V C -2.885 173.210 176.094 0.002 0.000 1.120 698 V CA -1.999 60.321 62.300 0.034 0.000 0.980 698 V CB 1.599 33.434 31.823 0.020 0.000 1.033 698 V HN 0.812 nan 8.190 nan 0.000 0.429 699 P HA 0.443 nan 4.420 nan 0.000 0.276 699 P C -0.983 176.319 177.300 0.003 0.000 1.253 699 P CA 0.087 63.326 63.100 0.233 0.000 0.766 699 P CB 0.687 32.582 31.700 0.325 0.000 0.845 700 M N 3.371 122.958 119.600 -0.021 0.000 2.326 700 M HA 0.298 4.780 4.480 0.003 0.000 0.292 700 M C -0.524 175.893 176.300 0.196 0.000 1.081 700 M CA -0.914 54.375 55.300 -0.018 0.000 0.919 700 M CB 1.959 34.481 32.600 -0.130 0.000 1.634 700 M HN 0.160 nan 8.290 nan 0.000 0.451 701 Y N 2.323 122.922 120.300 0.498 0.000 2.683 701 Y HA 0.031 4.583 4.550 0.003 0.000 0.340 701 Y C -1.513 174.509 175.900 0.203 0.000 1.245 701 Y CA -0.626 57.627 58.100 0.255 0.000 1.485 701 Y CB -0.095 38.460 38.460 0.157 0.000 1.328 701 Y HN 0.523 nan 8.280 nan 0.000 0.603 702 P HA -0.293 nan 4.420 nan 0.000 0.216 702 P C 1.199 178.611 177.300 0.186 0.000 1.153 702 P CA 2.751 65.960 63.100 0.180 0.000 0.858 702 P CB 0.088 31.865 31.700 0.129 0.000 0.789 703 A N -1.244 121.694 122.820 0.198 0.000 1.892 703 A HA -0.239 4.082 4.320 0.003 0.000 0.218 703 A C 2.158 179.888 177.584 0.242 0.000 1.188 703 A CA 1.718 53.854 52.037 0.164 0.000 0.631 703 A CB -1.864 17.181 19.000 0.075 0.000 0.822 703 A HN 0.161 nan 8.150 nan 0.000 0.447 704 F N 0.570 120.641 119.950 0.202 0.000 2.186 704 F HA -0.093 4.435 4.527 0.002 0.000 0.299 704 F C 2.144 178.036 175.800 0.152 0.000 1.090 704 F CA 1.907 60.025 58.000 0.197 0.000 1.307 704 F CB -0.151 39.020 39.000 0.285 0.000 1.019 704 F HN 0.130 nan 8.300 nan 0.000 0.489 705 K N -0.051 120.461 120.400 0.187 0.000 2.160 705 K HA -0.216 4.106 4.320 0.003 0.000 0.206 705 K C 2.146 178.756 176.600 0.018 0.000 1.047 705 K CA 1.585 57.926 56.287 0.090 0.000 0.930 705 K CB -0.205 32.338 32.500 0.073 0.000 0.720 705 K HN 0.308 nan 8.250 nan 0.000 0.450 706 R N 0.327 120.847 120.500 0.034 0.000 2.091 706 R HA -0.128 4.214 4.340 0.003 0.000 0.238 706 R C 2.308 178.538 176.300 -0.117 0.000 1.136 706 R CA 1.454 57.567 56.100 0.021 0.000 0.959 706 R CB -0.473 29.933 30.300 0.177 0.000 0.856 706 R HN 0.033 nan 8.270 nan 0.000 0.437 707 V N 0.061 119.858 119.914 -0.196 0.000 2.283 707 V HA -0.237 3.885 4.120 0.003 0.000 0.243 707 V C 2.035 177.988 176.094 -0.235 0.000 1.039 707 V CA 1.482 63.582 62.300 -0.332 0.000 1.016 707 V CB -0.670 30.889 31.823 -0.439 0.000 0.650 707 V HN 0.531 nan 8.190 nan 0.000 0.449 708 W N 0.888 121.864 121.300 -0.541 0.000 2.388 708 W HA -0.195 4.467 4.660 0.002 0.000 0.294 708 W C 2.315 178.766 176.519 -0.114 0.000 1.212 708 W CA 1.959 59.103 57.345 -0.335 0.000 1.271 708 W CB -0.161 29.088 29.460 -0.351 0.000 1.126 708 W HN 0.276 nan 8.180 nan 0.000 0.535 709 T N -0.065 114.448 114.554 -0.068 0.000 2.777 709 T HA -0.275 4.076 4.350 0.003 0.000 0.266 709 T C 1.328 175.850 174.700 -0.297 0.000 1.040 709 T CA 1.671 63.672 62.100 -0.165 0.000 1.141 709 T CB -0.859 67.969 68.868 -0.067 0.000 0.868 709 T HN 0.206 nan 8.240 nan 0.000 0.444 710 Y N 1.032 121.132 120.300 -0.334 0.000 2.165 710 Y HA -0.172 4.379 4.550 0.003 0.000 0.286 710 Y C 1.979 177.646 175.900 -0.389 0.000 1.155 710 Y CA 1.128 59.005 58.100 -0.371 0.000 1.164 710 Y CB -0.484 37.746 38.460 -0.383 0.000 0.978 710 Y HN 0.253 nan 8.280 nan 0.000 0.513 711 F N 0.706 120.369 119.950 -0.479 0.000 2.113 711 F HA -0.223 4.305 4.527 0.002 0.000 0.297 711 F C 2.240 177.632 175.800 -0.680 0.000 1.103 711 F CA 1.954 59.599 58.000 -0.592 0.000 1.248 711 F CB -0.604 38.037 39.000 -0.599 0.000 0.999 711 F HN 0.045 nan 8.300 nan 0.000 0.475 712 Q N 0.246 119.540 119.800 -0.844 0.000 2.079 712 Q HA -0.187 4.154 4.340 0.003 0.000 0.200 712 Q C 2.449 178.021 176.000 -0.713 0.000 0.974 712 Q CA 1.721 57.022 55.803 -0.837 0.000 0.840 712 Q CB -0.548 27.831 28.738 -0.599 0.000 0.898 712 Q HN 0.492 nan 8.270 nan 0.000 0.430 713 R N 0.007 120.041 120.500 -0.776 0.000 2.090 713 R HA -0.002 4.339 4.340 0.003 0.000 0.219 713 R C 2.015 177.903 176.300 -0.686 0.000 1.100 713 R CA 0.755 56.347 56.100 -0.847 0.000 0.991 713 R CB 0.425 30.053 30.300 -1.119 0.000 0.893 713 R HN 0.053 nan 8.270 nan 0.000 0.443 714 V N 0.475 119.910 119.914 -0.799 0.000 2.627 714 V HA -0.024 4.098 4.120 0.003 0.000 0.239 714 V C 2.179 177.816 176.094 -0.761 0.000 1.077 714 V CA 0.694 62.521 62.300 -0.789 0.000 1.103 714 V CB -0.178 30.971 31.823 -1.123 0.000 0.802 714 V HN 0.212 nan 8.190 nan 0.000 0.482 715 L N 0.015 120.698 121.223 -0.899 0.000 2.056 715 L HA -0.095 4.246 4.340 0.003 0.000 0.207 715 L C 2.497 178.636 176.870 -1.218 0.000 1.078 715 L CA 1.030 55.289 54.840 -0.968 0.000 0.749 715 L CB -0.650 40.952 42.059 -0.761 0.000 0.901 715 L HN 0.193 nan 8.230 nan 0.000 0.433 716 V N 0.375 119.671 119.914 -1.029 0.000 2.343 716 V HA -0.291 3.831 4.120 0.003 0.000 0.247 716 V C 2.596 178.444 176.094 -0.411 0.000 1.051 716 V CA 2.038 63.914 62.300 -0.706 0.000 1.036 716 V CB -0.548 30.920 31.823 -0.592 0.000 0.654 716 V HN 0.404 nan 8.190 nan 0.000 0.451 717 K N 1.294 121.455 120.400 -0.398 0.000 2.057 717 K HA -0.210 4.112 4.320 0.003 0.000 0.207 717 K C 2.125 178.600 176.600 -0.207 0.000 1.049 717 K CA 1.920 58.062 56.287 -0.241 0.000 0.931 717 K CB -0.500 31.857 32.500 -0.239 0.000 0.714 717 K HN 0.390 nan 8.250 nan 0.000 0.440 718 K N -0.980 119.230 120.400 -0.316 0.000 2.063 718 K HA -0.187 4.135 4.320 0.003 0.000 0.208 718 K C 1.811 178.396 176.600 -0.024 0.000 1.048 718 K CA 1.589 57.755 56.287 -0.201 0.000 0.928 718 K CB -0.243 32.102 32.500 -0.257 0.000 0.713 718 K HN 0.147 nan 8.250 nan 0.000 0.442 719 Y N 0.275 120.541 120.300 -0.056 0.000 2.163 719 Y HA -0.058 4.494 4.550 0.003 0.000 0.288 719 Y C 2.463 178.360 175.900 -0.006 0.000 1.136 719 Y CA 0.549 58.644 58.100 -0.008 0.000 1.147 719 Y CB -1.226 37.245 38.460 0.019 0.000 0.987 719 Y HN 0.145 nan 8.280 nan 0.000 0.509 720 A N -0.595 122.301 122.820 0.127 0.000 1.917 720 A HA -0.251 4.070 4.320 0.003 0.000 0.219 720 A C 2.628 180.250 177.584 0.064 0.000 1.182 720 A CA 2.318 54.405 52.037 0.084 0.000 0.633 720 A CB -1.178 17.851 19.000 0.048 0.000 0.819 720 A HN 0.414 nan 8.150 nan 0.000 0.448 721 S N -0.599 115.122 115.700 0.035 0.000 2.368 721 S HA -0.164 4.308 4.470 0.003 0.000 0.224 721 S C 1.833 176.453 174.600 0.034 0.000 1.029 721 S CA 1.575 59.790 58.200 0.024 0.000 0.988 721 S CB -0.349 62.848 63.200 -0.006 0.000 0.838 721 S HN 0.672 nan 8.310 nan 0.000 0.462 722 E N -0.055 120.174 120.200 0.048 0.000 2.285 722 E HA 0.051 4.403 4.350 0.003 0.000 0.194 722 E C 1.779 178.383 176.600 0.006 0.000 0.997 722 E CA 0.535 56.950 56.400 0.026 0.000 0.845 722 E CB 0.097 29.830 29.700 0.056 0.000 0.782 722 E HN 0.439 nan 8.360 nan 0.000 0.491 723 R N 0.372 120.903 120.500 0.052 0.000 2.508 723 R HA 0.127 4.469 4.340 0.003 0.000 0.300 723 R C -0.094 176.271 176.300 0.108 0.000 0.970 723 R CA -0.143 55.996 56.100 0.064 0.000 1.102 723 R CB 0.376 30.712 30.300 0.060 0.000 1.246 723 R HN -0.042 nan 8.270 nan 0.000 0.539 724 N N 1.317 120.076 118.700 0.098 0.000 2.753 724 N HA -0.144 4.597 4.740 0.003 0.000 0.252 724 N C -0.539 175.028 175.510 0.095 0.000 1.071 724 N CA 1.238 54.350 53.050 0.103 0.000 0.690 724 N CB -1.219 37.348 38.487 0.134 0.000 0.906 724 N HN 0.585 nan 8.380 nan 0.000 0.552 725 G N -1.867 106.987 108.800 0.090 0.000 2.705 725 G HA2 0.227 4.189 3.960 0.003 0.000 0.686 725 G HA3 0.227 4.189 3.960 0.003 0.000 0.686 725 G C -0.415 174.551 174.900 0.110 0.000 1.285 725 G CA 0.005 45.163 45.100 0.096 0.000 0.800 725 G HN 1.551 nan 8.290 nan 0.000 0.611 726 V N -1.305 118.679 119.914 0.118 0.000 2.925 726 V HA 0.852 4.973 4.120 0.003 0.000 0.311 726 V C -0.019 176.146 176.094 0.118 0.000 1.104 726 V CA -0.925 61.450 62.300 0.124 0.000 0.954 726 V CB 2.119 34.023 31.823 0.135 0.000 1.022 726 V HN 1.263 nan 8.190 nan 0.000 0.427 727 N N 1.998 120.783 118.700 0.142 0.000 2.421 727 N HA 0.585 5.326 4.740 0.003 0.000 0.285 727 N C -1.366 174.181 175.510 0.062 0.000 1.027 727 N CA -0.208 52.919 53.050 0.127 0.000 0.918 727 N CB 1.998 40.619 38.487 0.223 0.000 1.152 727 N HN 0.671 nan 8.380 nan 0.000 0.485 728 V N 5.037 124.866 119.914 -0.141 0.000 2.495 728 V HA 0.527 4.648 4.120 0.003 0.000 0.298 728 V C 0.054 176.098 176.094 -0.083 0.000 1.031 728 V CA -0.702 61.475 62.300 -0.204 0.000 0.871 728 V CB 1.608 33.039 31.823 -0.654 0.000 0.988 728 V HN 0.537 nan 8.190 nan 0.000 0.432 729 I N 3.236 123.878 120.570 0.120 0.000 2.436 729 I HA 0.590 4.762 4.170 0.003 0.000 0.289 729 I C -0.121 176.193 176.117 0.327 0.000 1.010 729 I CA -0.071 61.397 61.300 0.281 0.000 1.098 729 I CB 2.017 40.194 38.000 0.294 0.000 1.266 729 I HN 0.543 nan 8.210 nan 0.000 0.434 730 S N 2.996 118.876 115.700 0.300 0.000 2.634 730 S HA 0.977 5.448 4.470 0.003 0.000 0.296 730 S C -0.126 174.313 174.600 -0.269 0.000 1.104 730 S CA -0.733 57.482 58.200 0.025 0.000 0.920 730 S CB 2.508 65.961 63.200 0.421 0.000 1.111 730 S HN 0.961 nan 8.310 nan 0.000 0.493 731 G N 1.068 109.371 108.800 -0.828 0.000 2.356 731 G HA2 0.556 4.518 3.960 0.003 0.000 0.294 731 G HA3 0.556 4.518 3.960 0.003 0.000 0.294 731 G C -3.599 171.157 174.900 -0.241 0.000 1.423 731 G CA -0.772 44.088 45.100 -0.399 0.000 0.806 731 G HN 0.445 nan 8.290 nan 0.000 0.527 732 P HA 0.661 nan 4.420 nan 0.000 0.282 732 P C -0.817 176.365 177.300 -0.197 0.000 1.259 732 P CA -0.465 62.398 63.100 -0.394 0.000 0.826 732 P CB 2.053 33.518 31.700 -0.391 0.000 1.064 733 I N 1.354 121.626 120.570 -0.497 0.000 2.582 733 I HA 0.355 4.527 4.170 0.003 0.000 0.292 733 I C -0.671 175.095 176.117 -0.584 0.000 1.066 733 I CA -0.812 60.320 61.300 -0.280 0.000 1.053 733 I CB 1.691 39.649 38.000 -0.070 0.000 1.241 733 I HN 0.161 nan 8.210 nan 0.000 0.421 734 F N 4.226 124.117 119.950 -0.098 0.000 2.382 734 F HA 0.346 4.875 4.527 0.003 0.000 0.361 734 F C -0.014 175.781 175.800 -0.008 0.000 1.109 734 F CA -0.541 57.432 58.000 -0.045 0.000 1.031 734 F CB 1.027 40.007 39.000 -0.035 0.000 1.234 734 F HN 0.284 nan 8.300 nan 0.000 0.445 735 D N 2.342 122.802 120.400 0.100 0.000 2.656 735 D HA 0.146 4.787 4.640 0.003 0.000 0.303 735 D C 0.350 176.690 176.300 0.067 0.000 1.199 735 D CA -0.244 53.808 54.000 0.087 0.000 0.797 735 D CB -0.016 40.810 40.800 0.045 0.000 1.170 735 D HN 0.404 nan 8.370 nan 0.000 0.509 736 Y N 0.614 120.963 120.300 0.082 0.000 2.352 736 Y HA -0.108 4.444 4.550 0.003 0.000 0.292 736 Y C 1.947 177.881 175.900 0.056 0.000 1.136 736 Y CA 1.106 59.253 58.100 0.079 0.000 1.227 736 Y CB 0.108 38.598 38.460 0.049 0.000 0.991 736 Y HN 0.284 nan 8.280 nan 0.000 0.545 737 N N -0.419 118.312 118.700 0.051 0.000 2.276 737 N HA -0.107 4.634 4.740 0.003 0.000 0.212 737 N C -0.153 174.925 175.510 -0.721 0.000 1.127 737 N CA 0.022 52.883 53.050 -0.313 0.000 0.834 737 N CB -1.553 36.775 38.487 -0.265 0.000 1.014 737 N HN 0.507 nan 8.380 nan 0.000 0.491 738 Y N -0.660 119.650 120.300 0.017 0.000 3.152 738 Y HA -0.329 4.223 4.550 0.002 0.000 0.212 738 Y C 0.111 175.997 175.900 -0.024 0.000 1.198 738 Y CA 0.379 58.474 58.100 -0.010 0.000 1.220 738 Y CB -3.096 35.350 38.460 -0.024 0.000 1.326 738 Y HN 0.341 nan 8.280 nan 0.000 0.562 739 N N 0.614 119.269 118.700 -0.076 0.000 2.230 739 N HA 0.301 5.042 4.740 0.003 0.000 0.202 739 N C 1.435 176.943 175.510 -0.002 0.000 1.119 739 N CA 0.320 53.335 53.050 -0.058 0.000 0.851 739 N CB 0.471 38.891 38.487 -0.112 0.000 0.990 739 N HN 1.195 nan 8.380 nan 0.000 0.497 740 G N 0.068 108.881 108.800 0.021 0.000 2.159 740 G HA2 -0.231 3.731 3.960 0.003 0.000 0.256 740 G HA3 -0.231 3.731 3.960 0.003 0.000 0.256 740 G C -0.508 174.427 174.900 0.059 0.000 0.977 740 G CA 0.540 45.674 45.100 0.056 0.000 0.652 740 G HN 0.354 nan 8.290 nan 0.000 0.531 741 L N -0.415 120.819 121.223 0.018 0.000 2.381 741 L HA 0.549 4.890 4.340 0.003 0.000 0.268 741 L C 1.031 177.898 176.870 -0.005 0.000 0.997 741 L CA -1.325 53.523 54.840 0.014 0.000 0.818 741 L CB 1.772 43.820 42.059 -0.019 0.000 1.310 741 L HN 0.217 nan 8.230 nan 0.000 0.416 742 R N 1.729 122.214 120.500 -0.025 0.000 2.481 742 R HA -0.072 4.269 4.340 0.003 0.000 0.291 742 R C -0.759 175.492 176.300 -0.081 0.000 0.934 742 R CA -0.052 55.999 56.100 -0.082 0.000 1.116 742 R CB 0.168 30.345 30.300 -0.205 0.000 0.895 742 R HN 0.468 nan 8.270 nan 0.000 0.410 743 D N 4.410 124.794 120.400 -0.027 0.000 2.382 743 D HA 0.093 4.734 4.640 0.003 0.000 0.245 743 D C 0.748 177.011 176.300 -0.062 0.000 1.120 743 D CA -0.082 53.916 54.000 -0.004 0.000 0.890 743 D CB 0.679 41.541 40.800 0.103 0.000 1.201 743 D HN 0.492 nan 8.370 nan 0.000 0.433 744 I N -1.713 118.844 120.570 -0.022 0.000 3.021 744 I HA 0.191 4.363 4.170 0.003 0.000 0.303 744 I C 1.171 177.327 176.117 0.065 0.000 1.044 744 I CA -0.663 60.648 61.300 0.020 0.000 1.266 744 I CB 0.801 38.812 38.000 0.017 0.000 1.447 744 I HN 0.294 nan 8.210 nan 0.000 0.593 745 E N 1.057 121.328 120.200 0.117 0.000 2.097 745 E HA -0.279 4.073 4.350 0.003 0.000 0.196 745 E C 1.213 177.845 176.600 0.053 0.000 1.000 745 E CA 2.166 58.631 56.400 0.108 0.000 0.804 745 E CB -0.161 29.552 29.700 0.022 0.000 0.740 745 E HN 0.817 nan 8.360 nan 0.000 0.454 746 D N 0.490 120.909 120.400 0.031 0.000 2.263 746 D HA -0.136 4.506 4.640 0.003 0.000 0.208 746 D C 1.322 177.621 176.300 -0.002 0.000 0.971 746 D CA 0.896 54.905 54.000 0.016 0.000 0.867 746 D CB 0.117 40.922 40.800 0.008 0.000 0.929 746 D HN 0.184 nan 8.370 nan 0.000 0.492 747 E N -0.781 119.416 120.200 -0.005 0.000 2.447 747 E HA 0.124 4.476 4.350 0.003 0.000 0.195 747 E C 0.300 176.853 176.600 -0.078 0.000 1.028 747 E CA -0.175 56.217 56.400 -0.013 0.000 0.876 747 E CB 0.593 30.304 29.700 0.018 0.000 0.885 747 E HN 0.361 nan 8.360 nan 0.000 0.500 748 I N 1.819 122.303 120.570 -0.142 0.000 2.496 748 I HA -0.011 4.161 4.170 0.003 0.000 0.285 748 I C 1.061 176.779 176.117 -0.666 0.000 1.080 748 I CA 0.234 61.261 61.300 -0.454 0.000 1.404 748 I CB 0.746 38.570 38.000 -0.293 0.000 1.403 748 I HN -0.145 nan 8.210 nan 0.000 0.539 749 K N 5.013 124.646 120.400 -1.277 0.000 2.438 749 K HA 0.219 4.540 4.320 0.003 0.000 0.206 749 K C -0.241 176.054 176.600 -0.509 0.000 1.081 749 K CA 0.091 55.980 56.287 -0.662 0.000 1.053 749 K CB 0.809 33.071 32.500 -0.395 0.000 0.908 749 K HN 0.602 nan 8.250 nan 0.000 0.556 750 Q N -0.122 119.231 119.800 -0.745 0.000 2.315 750 Q HA 0.396 4.738 4.340 0.003 0.000 0.273 750 Q C -1.700 173.990 176.000 -0.518 0.000 1.053 750 Q CA -0.656 54.955 55.803 -0.320 0.000 0.817 750 Q CB 1.563 30.330 28.738 0.049 0.000 1.326 750 Q HN -0.035 nan 8.270 nan 0.000 0.423 751 Y N 0.446 120.763 120.300 0.028 0.000 2.576 751 Y HA 0.453 5.005 4.550 0.003 0.000 0.346 751 Y C -0.218 175.681 175.900 -0.002 0.000 1.018 751 Y CA -1.086 57.029 58.100 0.024 0.000 1.050 751 Y CB 1.803 40.258 38.460 -0.008 0.000 1.280 751 Y HN 0.334 nan 8.280 nan 0.000 0.474 752 V N 1.542 121.527 119.914 0.119 0.000 2.694 752 V HA -0.096 4.026 4.120 0.003 0.000 0.306 752 V C 0.452 176.539 176.094 -0.012 0.000 1.054 752 V CA -0.268 62.013 62.300 -0.032 0.000 1.161 752 V CB 0.527 32.198 31.823 -0.254 0.000 0.916 752 V HN 0.779 nan 8.190 nan 0.000 0.490 753 E N 3.530 123.718 120.200 -0.020 0.000 2.652 753 E HA 0.150 4.501 4.350 0.003 0.000 0.255 753 E C 1.236 177.823 176.600 -0.022 0.000 0.952 753 E CA 0.783 57.184 56.400 0.002 0.000 0.947 753 E CB -0.091 29.617 29.700 0.013 0.000 0.912 753 E HN 1.107 nan 8.360 nan 0.000 0.489 754 G N 3.048 111.842 108.800 -0.011 0.000 2.155 754 G HA2 -0.322 3.640 3.960 0.003 0.000 0.257 754 G HA3 -0.322 3.640 3.960 0.003 0.000 0.257 754 G C 0.112 174.985 174.900 -0.045 0.000 0.983 754 G CA 0.673 45.757 45.100 -0.026 0.000 0.676 754 G HN 0.976 nan 8.290 nan 0.000 0.528 755 S N -1.862 113.809 115.700 -0.049 0.000 2.811 755 S HA 0.805 5.277 4.470 0.003 0.000 0.311 755 S C 0.758 175.302 174.600 -0.094 0.000 1.152 755 S CA 0.695 58.859 58.200 -0.060 0.000 0.864 755 S CB 1.602 64.766 63.200 -0.060 0.000 1.226 755 S HN 1.437 nan 8.310 nan 0.000 0.541 756 S N -0.283 115.369 115.700 -0.081 0.000 2.601 756 S HA 0.403 4.875 4.470 0.003 0.000 0.244 756 S C -0.033 174.643 174.600 0.125 0.000 1.001 756 S CA -0.627 57.493 58.200 -0.133 0.000 0.984 756 S CB -0.941 62.156 63.200 -0.172 0.000 0.842 756 S HN 0.618 nan 8.310 nan 0.000 0.474 757 I N 4.378 125.049 120.570 0.169 0.000 2.421 757 I HA 0.269 4.440 4.170 0.003 0.000 0.291 757 I C -2.221 174.097 176.117 0.336 0.000 1.089 757 I CA -2.099 59.333 61.300 0.219 0.000 1.354 757 I CB 0.508 38.579 38.000 0.118 0.000 1.413 757 I HN 0.087 nan 8.210 nan 0.000 0.513 758 P HA 0.146 nan 4.420 nan 0.000 0.278 758 P C -0.626 176.883 177.300 0.348 0.000 1.238 758 P CA -0.242 62.978 63.100 0.200 0.000 0.794 758 P CB 1.587 33.356 31.700 0.116 0.000 0.955 759 V N 4.836 124.913 119.914 0.272 0.000 2.370 759 V HA 0.262 4.383 4.120 0.003 0.000 0.279 759 V C -2.071 174.147 176.094 0.207 0.000 1.029 759 V CA -2.100 60.345 62.300 0.241 0.000 0.870 759 V CB 0.975 32.881 31.823 0.138 0.000 0.984 759 V HN 0.520 nan 8.190 nan 0.000 0.451 760 P HA 0.129 nan 4.420 nan 0.000 0.269 760 P C 1.042 178.023 177.300 -0.532 0.000 1.209 760 P CA -0.024 62.497 63.100 -0.964 0.000 0.776 760 P CB 0.561 31.401 31.700 -1.434 0.000 0.876 761 T N -1.382 112.817 114.554 -0.592 0.000 3.043 761 T HA 0.020 4.371 4.350 0.003 0.000 0.263 761 T C 0.230 174.483 174.700 -0.746 0.000 1.094 761 T CA 0.949 62.707 62.100 -0.571 0.000 1.127 761 T CB -0.555 68.018 68.868 -0.491 0.000 0.905 761 T HN 0.465 nan 8.240 nan 0.000 0.490 762 H N -1.434 117.334 119.070 -0.505 0.000 3.037 762 H HA 0.588 5.146 4.556 0.003 0.000 0.355 762 H C -1.880 173.051 175.328 -0.662 0.000 1.263 762 H CA -0.963 54.845 56.048 -0.400 0.000 1.129 762 H CB 1.194 30.843 29.762 -0.189 0.000 1.861 762 H HN 0.133 nan 8.280 nan 0.000 0.546 763 Y N 0.951 121.149 120.300 -0.170 0.000 2.409 763 Y HA 0.339 4.890 4.550 0.002 0.000 0.343 763 Y C -0.782 175.158 175.900 0.067 0.000 0.973 763 Y CA -1.029 56.944 58.100 -0.212 0.000 1.064 763 Y CB 1.487 39.626 38.460 -0.534 0.000 1.207 763 Y HN 0.591 nan 8.280 nan 0.000 0.452 764 Y N -0.302 120.130 120.300 0.220 0.000 2.487 764 Y HA 0.836 5.388 4.550 0.003 0.000 0.337 764 Y C -0.618 175.483 175.900 0.336 0.000 1.076 764 Y CA -1.357 56.889 58.100 0.244 0.000 1.115 764 Y CB 1.950 40.508 38.460 0.163 0.000 1.235 764 Y HN 0.440 nan 8.280 nan 0.000 0.468 765 S N 2.900 118.893 115.700 0.489 0.000 2.548 765 S HA 0.675 5.147 4.470 0.003 0.000 0.276 765 S C -1.503 173.354 174.600 0.429 0.000 1.129 765 S CA -0.713 57.762 58.200 0.458 0.000 0.931 765 S CB 0.577 64.068 63.200 0.484 0.000 1.068 765 S HN 0.682 nan 8.310 nan 0.000 0.480 766 I N 5.150 125.910 120.570 0.317 0.000 2.382 766 I HA 0.467 4.639 4.170 0.003 0.000 0.286 766 I C -0.875 175.324 176.117 0.136 0.000 1.002 766 I CA -0.488 60.891 61.300 0.131 0.000 1.135 766 I CB 1.443 39.383 38.000 -0.100 0.000 1.288 766 I HN 0.520 nan 8.210 nan 0.000 0.448 767 I N 6.021 126.669 120.570 0.129 0.000 2.354 767 I HA 0.341 4.513 4.170 0.003 0.000 0.286 767 I C -0.244 175.915 176.117 0.070 0.000 1.007 767 I CA -0.152 61.225 61.300 0.128 0.000 1.167 767 I CB 1.533 39.638 38.000 0.175 0.000 1.320 767 I HN 0.469 nan 8.210 nan 0.000 0.458 768 T N 4.159 118.783 114.554 0.116 0.000 2.856 768 T HA 0.711 5.062 4.350 0.003 0.000 0.283 768 T C -0.084 174.700 174.700 0.140 0.000 1.008 768 T CA -0.689 61.476 62.100 0.108 0.000 0.997 768 T CB 1.879 70.842 68.868 0.159 0.000 0.992 768 T HN 0.730 nan 8.240 nan 0.000 0.454 769 S N 0.004 115.753 115.700 0.081 0.000 2.819 769 S HA 0.589 5.060 4.470 0.003 0.000 0.299 769 S C -0.737 173.906 174.600 0.073 0.000 1.192 769 S CA -0.934 57.329 58.200 0.105 0.000 0.847 769 S CB 0.793 64.043 63.200 0.083 0.000 1.224 769 S HN 0.855 nan 8.310 nan 0.000 0.537 770 c N 1.471 120.119 118.600 0.081 0.000 2.435 770 c HA 0.561 5.132 4.570 0.003 0.000 0.375 770 c C 1.914 176.025 174.090 0.034 0.000 1.281 770 c CA -0.603 55.758 56.329 0.053 0.000 1.963 770 c CB -0.401 42.143 42.510 0.057 0.000 2.490 770 c HN 0.846 nan 8.230 nan 0.000 0.557 771 L N 3.618 124.834 121.223 -0.012 0.000 2.042 771 L HA 0.022 4.363 4.340 0.003 0.000 0.210 771 L C 1.224 178.101 176.870 0.012 0.000 1.076 771 L CA 1.931 56.762 54.840 -0.015 0.000 0.749 771 L CB -0.586 41.434 42.059 -0.064 0.000 0.893 771 L HN 0.811 nan 8.230 nan 0.000 0.432 772 D N -0.372 119.996 120.400 -0.054 0.000 2.383 772 D HA -0.068 4.574 4.640 0.003 0.000 0.245 772 D C 1.223 177.433 176.300 -0.150 0.000 1.263 772 D CA -0.259 53.636 54.000 -0.174 0.000 0.936 772 D CB -0.008 40.700 40.800 -0.154 0.000 1.053 772 D HN 0.316 nan 8.370 nan 0.000 0.507 773 F N 1.330 121.280 119.950 -0.001 0.000 2.546 773 F HA -0.046 4.483 4.527 0.003 0.000 0.298 773 F C 2.102 177.910 175.800 0.014 0.000 1.120 773 F CA 0.753 58.757 58.000 0.007 0.000 1.456 773 F CB -1.268 37.737 39.000 0.009 0.000 1.088 773 F HN 0.271 nan 8.300 nan 0.000 0.572 774 T N -2.292 112.128 114.554 -0.223 0.000 3.035 774 T HA -0.021 4.331 4.350 0.003 0.000 0.268 774 T C 0.662 175.350 174.700 -0.020 0.000 1.109 774 T CA 0.302 62.346 62.100 -0.092 0.000 1.119 774 T CB -0.411 68.350 68.868 -0.178 0.000 0.900 774 T HN 0.513 nan 8.240 nan 0.000 0.503 775 Q N 2.108 121.895 119.800 -0.021 0.000 2.230 775 Q HA 0.444 4.785 4.340 0.003 0.000 0.253 775 Q C -2.823 173.205 176.000 0.046 0.000 0.919 775 Q CA -2.676 53.133 55.803 0.010 0.000 0.908 775 Q CB 1.464 30.201 28.738 -0.002 0.000 1.245 775 Q HN 0.227 nan 8.270 nan 0.000 0.437 776 P HA 0.014 nan 4.420 nan 0.000 0.274 776 P C -0.168 177.174 177.300 0.070 0.000 1.231 776 P CA 0.051 63.190 63.100 0.064 0.000 0.790 776 P CB 0.703 32.434 31.700 0.052 0.000 0.951 777 A N 2.579 125.451 122.820 0.087 0.000 1.948 777 A HA -0.226 4.095 4.320 0.003 0.000 0.220 777 A C 1.503 179.141 177.584 0.090 0.000 1.177 777 A CA 2.294 54.397 52.037 0.110 0.000 0.636 777 A CB -1.417 17.662 19.000 0.130 0.000 0.815 777 A HN 0.671 nan 8.150 nan 0.000 0.449 778 D N -1.550 118.883 120.400 0.055 0.000 2.349 778 D HA 0.216 4.857 4.640 0.003 0.000 0.224 778 D C 0.776 177.086 176.300 0.016 0.000 1.029 778 D CA 1.309 55.319 54.000 0.017 0.000 0.879 778 D CB -0.268 40.533 40.800 0.002 0.000 0.906 778 D HN 0.390 nan 8.370 nan 0.000 0.528 779 K N -0.003 120.417 120.400 0.033 0.000 3.278 779 K HA 0.412 4.733 4.320 0.003 0.000 0.200 779 K C -0.443 176.177 176.600 0.034 0.000 1.107 779 K CA -0.416 55.887 56.287 0.026 0.000 0.923 779 K CB -0.730 31.781 32.500 0.020 0.000 0.787 779 K HN 0.299 nan 8.250 nan 0.000 0.481 780 c N 1.572 120.203 118.600 0.052 0.000 2.347 780 c HA 0.453 5.025 4.570 0.003 0.000 0.353 780 c C 0.557 174.673 174.090 0.044 0.000 1.273 780 c CA -0.240 56.120 56.329 0.052 0.000 1.861 780 c CB -0.039 42.520 42.510 0.083 0.000 2.420 780 c HN 0.718 nan 8.230 nan 0.000 0.542 781 D N 2.656 123.069 120.400 0.022 0.000 2.346 781 D HA 0.174 4.815 4.640 0.003 0.000 0.206 781 D C 1.077 177.384 176.300 0.011 0.000 1.001 781 D CA 0.768 54.778 54.000 0.016 0.000 0.871 781 D CB 0.739 41.542 40.800 0.004 0.000 0.943 781 D HN 0.834 nan 8.370 nan 0.000 0.518 782 G N 0.395 109.196 108.800 0.002 0.000 3.264 782 G HA2 0.433 4.394 3.960 0.003 0.000 0.168 782 G HA3 0.433 4.394 3.960 0.003 0.000 0.168 782 G C -2.601 172.284 174.900 -0.025 0.000 1.145 782 G CA -0.671 44.421 45.100 -0.013 0.000 0.855 782 G HN -0.140 nan 8.290 nan 0.000 0.629 783 P HA 0.305 nan 4.420 nan 0.000 0.268 783 P C -0.443 176.801 177.300 -0.094 0.000 1.208 783 P CA 0.057 63.106 63.100 -0.086 0.000 0.777 783 P CB 0.616 32.257 31.700 -0.098 0.000 0.875 784 L N 0.655 121.787 121.223 -0.152 0.000 2.358 784 L HA 0.568 4.910 4.340 0.003 0.000 0.268 784 L C 0.627 177.372 176.870 -0.209 0.000 1.032 784 L CA -0.567 54.172 54.840 -0.169 0.000 0.805 784 L CB 1.407 43.296 42.059 -0.283 0.000 1.253 784 L HN 0.301 nan 8.230 nan 0.000 0.452 785 S N 0.676 116.271 115.700 -0.175 0.000 2.502 785 S HA 0.684 5.156 4.470 0.003 0.000 0.304 785 S C -1.204 173.271 174.600 -0.208 0.000 1.097 785 S CA -0.528 57.540 58.200 -0.221 0.000 1.045 785 S CB 1.665 64.781 63.200 -0.139 0.000 1.019 785 S HN 0.379 nan 8.310 nan 0.000 0.481 786 V N 4.433 124.188 119.914 -0.265 0.000 2.841 786 V HA 0.898 5.020 4.120 0.003 0.000 0.310 786 V C -0.883 175.152 176.094 -0.098 0.000 1.090 786 V CA -0.241 61.974 62.300 -0.141 0.000 0.930 786 V CB 2.327 34.099 31.823 -0.084 0.000 1.014 786 V HN 1.106 nan 8.190 nan 0.000 0.425 787 S N 4.055 119.680 115.700 -0.124 0.000 2.549 787 S HA 0.925 5.396 4.470 0.003 0.000 0.280 787 S C -0.812 173.654 174.600 -0.223 0.000 1.109 787 S CA -0.584 57.502 58.200 -0.189 0.000 0.905 787 S CB 2.090 65.044 63.200 -0.410 0.000 1.081 787 S HN 0.909 nan 8.310 nan 0.000 0.477 788 S N 0.694 116.178 115.700 -0.360 0.000 2.651 788 S HA 0.865 5.336 4.470 0.003 0.000 0.279 788 S C -1.630 172.637 174.600 -0.554 0.000 1.148 788 S CA -0.741 57.295 58.200 -0.274 0.000 0.837 788 S CB 0.818 63.987 63.200 -0.052 0.000 1.138 788 S HN 0.690 nan 8.310 nan 0.000 0.478 789 F N 0.257 120.314 119.950 0.179 0.000 2.626 789 F HA 0.638 5.167 4.527 0.003 0.000 0.311 789 F C -0.702 175.216 175.800 0.196 0.000 1.088 789 F CA -0.861 57.245 58.000 0.176 0.000 0.949 789 F CB 1.373 40.454 39.000 0.135 0.000 1.322 789 F HN 0.309 nan 8.300 nan 0.000 0.461 790 I N 3.743 124.542 120.570 0.383 0.000 2.521 790 I HA 0.301 4.473 4.170 0.003 0.000 0.277 790 I C -1.228 175.081 176.117 0.320 0.000 1.054 790 I CA -0.245 61.231 61.300 0.294 0.000 1.117 790 I CB 1.036 39.107 38.000 0.120 0.000 1.217 790 I HN 0.310 nan 8.210 nan 0.000 0.469 791 L N 7.430 128.846 121.223 0.321 0.000 2.292 791 L HA 0.468 4.809 4.340 0.003 0.000 0.284 791 L C -2.282 174.715 176.870 0.212 0.000 1.065 791 L CA -1.891 53.101 54.840 0.253 0.000 0.806 791 L CB 0.652 42.934 42.059 0.372 0.000 1.175 791 L HN 0.198 nan 8.230 nan 0.000 0.431 792 P HA 0.004 nan 4.420 nan 0.000 0.271 792 P C -0.870 176.365 177.300 -0.109 0.000 1.216 792 P CA 0.020 63.002 63.100 -0.197 0.000 0.771 792 P CB 0.312 31.876 31.700 -0.226 0.000 0.864 793 H N 4.709 123.491 119.070 -0.480 0.000 2.872 793 H HA 0.298 4.856 4.556 0.003 0.000 0.273 793 H C -0.267 174.965 175.328 -0.159 0.000 1.205 793 H CA -0.499 55.274 56.048 -0.458 0.000 1.342 793 H CB 0.173 29.567 29.762 -0.614 0.000 1.469 793 H HN 0.282 nan 8.280 nan 0.000 0.487 794 R N 4.370 124.843 120.500 -0.045 0.000 2.803 794 R HA 0.210 4.552 4.340 0.003 0.000 0.276 794 R C -1.924 174.208 176.300 -0.279 0.000 0.978 794 R CA -1.925 54.053 56.100 -0.205 0.000 0.939 794 R CB 1.802 31.945 30.300 -0.261 0.000 1.179 794 R HN 0.499 nan 8.270 nan 0.000 0.472 795 P HA -0.039 nan 4.420 nan 0.000 0.241 795 P C -0.888 176.158 177.300 -0.425 0.000 1.191 795 P CA 0.857 63.323 63.100 -1.056 0.000 0.771 795 P CB 0.197 31.201 31.700 -1.160 0.000 0.929 796 D N -2.190 118.046 120.400 -0.275 0.000 2.559 796 D HA 0.194 4.836 4.640 0.003 0.000 0.250 796 D C -0.068 176.144 176.300 -0.147 0.000 1.135 796 D CA -0.880 53.011 54.000 -0.181 0.000 0.955 796 D CB -0.022 40.668 40.800 -0.183 0.000 1.442 796 D HN -0.356 nan 8.370 nan 0.000 0.471 797 N N 0.155 118.757 118.700 -0.164 0.000 2.451 797 N HA 0.079 4.821 4.740 0.003 0.000 0.264 797 N C -0.334 175.025 175.510 -0.251 0.000 1.167 797 N CA -0.025 52.902 53.050 -0.204 0.000 0.898 797 N CB 0.480 38.761 38.487 -0.342 0.000 1.176 797 N HN 0.365 nan 8.380 nan 0.000 0.507 798 D N 0.793 121.066 120.400 -0.213 0.000 2.218 798 D HA -0.163 4.478 4.640 0.003 0.000 0.204 798 D C 1.648 177.816 176.300 -0.220 0.000 0.976 798 D CA 0.847 54.721 54.000 -0.210 0.000 0.853 798 D CB 0.257 40.949 40.800 -0.179 0.000 0.939 798 D HN 0.487 nan 8.370 nan 0.000 0.481 799 E N 0.083 120.158 120.200 -0.208 0.000 2.160 799 E HA -0.092 4.259 4.350 0.003 0.000 0.195 799 E C -0.105 176.406 176.600 -0.148 0.000 0.991 799 E CA 0.637 56.921 56.400 -0.194 0.000 0.810 799 E CB 0.223 29.867 29.700 -0.093 0.000 0.742 799 E HN -0.021 nan 8.360 nan 0.000 0.466 800 S N 0.051 115.648 115.700 -0.173 0.000 2.434 800 S HA 0.112 4.583 4.470 0.003 0.000 0.318 800 S C 0.492 174.916 174.600 -0.293 0.000 1.062 800 S CA -0.785 57.307 58.200 -0.181 0.000 1.116 800 S CB 1.132 64.223 63.200 -0.181 0.000 0.977 800 S HN 0.309 nan 8.310 nan 0.000 0.480 801 c N 2.804 121.276 118.600 -0.214 0.000 2.419 801 c HA -0.063 4.508 4.570 0.003 0.000 0.283 801 c C 1.860 175.801 174.090 -0.248 0.000 1.373 801 c CA 0.584 56.779 56.329 -0.223 0.000 1.781 801 c CB -1.476 40.923 42.510 -0.185 0.000 1.886 801 c HN 0.831 nan 8.230 nan 0.000 0.520 802 N N 0.481 119.026 118.700 -0.258 0.000 2.268 802 N HA -0.023 4.719 4.740 0.003 0.000 0.204 802 N C 1.460 176.649 175.510 -0.535 0.000 1.124 802 N CA 0.312 53.213 53.050 -0.250 0.000 0.838 802 N CB 0.120 38.563 38.487 -0.074 0.000 0.994 802 N HN 0.560 nan 8.380 nan 0.000 0.489 803 S N -0.278 114.858 115.700 -0.940 0.000 2.547 803 S HA -0.127 4.344 4.470 0.003 0.000 0.235 803 S C 1.897 176.011 174.600 -0.811 0.000 0.980 803 S CA 0.825 57.948 58.200 -1.795 0.000 0.941 803 S CB -0.321 61.818 63.200 -1.767 0.000 0.763 803 S HN 0.318 nan 8.310 nan 0.000 0.532 804 S N 0.561 115.999 115.700 -0.437 0.000 2.481 804 S HA 0.071 4.542 4.470 0.003 0.000 0.231 804 S C 0.556 175.096 174.600 -0.100 0.000 0.996 804 S CA -0.201 57.869 58.200 -0.217 0.000 0.942 804 S CB -0.331 62.770 63.200 -0.165 0.000 0.768 804 S HN 0.694 nan 8.310 nan 0.000 0.520 805 E N 1.307 121.464 120.200 -0.072 0.000 2.359 805 E HA 0.305 4.656 4.350 0.003 0.000 0.255 805 E C -0.735 175.985 176.600 0.201 0.000 1.191 805 E CA -0.739 55.696 56.400 0.057 0.000 0.952 805 E CB 0.248 29.988 29.700 0.068 0.000 1.152 805 E HN 0.279 nan 8.360 nan 0.000 0.496 806 D N -0.026 120.446 120.400 0.120 0.000 2.443 806 D HA -0.056 4.586 4.640 0.003 0.000 0.239 806 D C 0.393 176.666 176.300 -0.044 0.000 1.136 806 D CA 0.216 54.248 54.000 0.053 0.000 0.879 806 D CB 0.751 41.538 40.800 -0.021 0.000 1.195 806 D HN 0.262 nan 8.370 nan 0.000 0.443 807 E N 0.674 120.689 120.200 -0.307 0.000 2.233 807 E HA -0.210 4.142 4.350 0.003 0.000 0.199 807 E C 1.848 177.687 176.600 -1.268 0.000 1.004 807 E CA 1.416 57.171 56.400 -1.075 0.000 0.819 807 E CB -0.174 28.896 29.700 -1.051 0.000 0.738 807 E HN 0.510 nan 8.360 nan 0.000 0.478 808 S N -0.263 114.984 115.700 -0.755 0.000 2.507 808 S HA -0.052 4.420 4.470 0.003 0.000 0.235 808 S C 1.422 175.853 174.600 -0.282 0.000 0.988 808 S CA 0.557 58.472 58.200 -0.474 0.000 0.944 808 S CB 0.092 63.213 63.200 -0.131 0.000 0.762 808 S HN 0.008 nan 8.310 nan 0.000 0.526 809 K N 0.332 120.598 120.400 -0.223 0.000 2.353 809 K HA 0.199 4.520 4.320 0.003 0.000 0.195 809 K C 1.110 177.755 176.600 0.075 0.000 1.031 809 K CA 0.369 56.641 56.287 -0.025 0.000 1.079 809 K CB 0.113 32.661 32.500 0.080 0.000 0.857 809 K HN 0.872 nan 8.250 nan 0.000 0.535 810 W N -2.073 119.111 121.300 -0.194 0.000 2.166 810 W HA 0.147 4.808 4.660 0.003 0.000 0.196 810 W C 0.804 177.225 176.519 -0.163 0.000 0.895 810 W CA -0.096 57.156 57.345 -0.155 0.000 1.069 810 W CB -0.538 28.839 29.460 -0.139 0.000 0.798 810 W HN -0.270 nan 8.180 nan 0.000 0.647 811 V N 2.662 122.019 119.914 -0.927 0.000 2.295 811 V HA -0.270 3.852 4.120 0.003 0.000 0.246 811 V C 2.403 178.317 176.094 -0.300 0.000 1.049 811 V CA 2.714 64.548 62.300 -0.777 0.000 1.024 811 V CB -0.691 30.520 31.823 -1.019 0.000 0.648 811 V HN 0.102 nan 8.190 nan 0.000 0.447 812 E N -0.280 119.788 120.200 -0.220 0.000 2.110 812 E HA -0.279 4.072 4.350 0.003 0.000 0.193 812 E C 2.251 178.807 176.600 -0.074 0.000 0.988 812 E CA 1.346 57.690 56.400 -0.094 0.000 0.804 812 E CB -0.090 29.601 29.700 -0.014 0.000 0.745 812 E HN 0.725 nan 8.360 nan 0.000 0.458 813 E N 0.858 121.035 120.200 -0.037 0.000 2.077 813 E HA -0.226 4.126 4.350 0.003 0.000 0.193 813 E C 2.178 178.808 176.600 0.050 0.000 0.989 813 E CA 0.771 57.178 56.400 0.012 0.000 0.800 813 E CB -0.014 29.715 29.700 0.049 0.000 0.746 813 E HN 0.122 nan 8.360 nan 0.000 0.452 814 L N 0.557 121.834 121.223 0.089 0.000 2.046 814 L HA -0.143 4.199 4.340 0.003 0.000 0.208 814 L C 2.297 179.273 176.870 0.177 0.000 1.077 814 L CA 1.794 56.738 54.840 0.172 0.000 0.747 814 L CB -0.345 41.834 42.059 0.201 0.000 0.896 814 L HN 0.255 nan 8.230 nan 0.000 0.432 815 M N -0.922 118.693 119.600 0.026 0.000 2.117 815 M HA -0.215 4.266 4.480 0.003 0.000 0.262 815 M C 2.198 178.584 176.300 0.143 0.000 1.065 815 M CA 1.707 56.991 55.300 -0.028 0.000 1.114 815 M CB -0.311 32.061 32.600 -0.381 0.000 1.361 815 M HN 0.163 nan 8.290 nan 0.000 0.408 816 K N -0.156 120.230 120.400 -0.023 0.000 2.103 816 K HA -0.195 4.127 4.320 0.003 0.000 0.207 816 K C 1.866 178.490 176.600 0.040 0.000 1.048 816 K CA 1.422 57.617 56.287 -0.153 0.000 0.930 816 K CB -0.270 32.061 32.500 -0.282 0.000 0.716 816 K HN 0.206 nan 8.250 nan 0.000 0.444 817 M N 0.216 119.845 119.600 0.049 0.000 2.374 817 M HA -0.096 4.386 4.480 0.003 0.000 0.264 817 M C 0.805 176.983 176.300 -0.203 0.000 1.067 817 M CA 1.699 56.961 55.300 -0.063 0.000 1.103 817 M CB 0.151 32.713 32.600 -0.063 0.000 1.402 817 M HN 0.091 nan 8.290 nan 0.000 0.444 818 H N -0.651 118.514 119.070 0.158 0.000 2.469 818 H HA 0.216 4.773 4.556 0.003 0.000 0.286 818 H C 0.143 175.633 175.328 0.270 0.000 1.106 818 H CA -0.013 56.146 56.048 0.185 0.000 1.055 818 H CB -0.314 29.570 29.762 0.204 0.000 1.618 818 H HN 0.225 nan 8.280 nan 0.000 0.559 819 T N 1.109 115.850 114.554 0.311 0.000 2.906 819 T HA 0.357 4.708 4.350 0.003 0.000 0.320 819 T C 0.163 174.913 174.700 0.083 0.000 1.088 819 T CA -0.023 62.191 62.100 0.189 0.000 1.120 819 T CB 0.376 69.393 68.868 0.250 0.000 1.000 819 T HN 0.520 nan 8.240 nan 0.000 0.550 820 A N 3.780 126.600 122.820 -0.000 0.000 2.609 820 A HA 0.717 5.038 4.320 0.003 0.000 0.291 820 A C -0.667 176.914 177.584 -0.005 0.000 1.096 820 A CA -0.990 51.054 52.037 0.013 0.000 0.684 820 A CB 1.331 20.358 19.000 0.046 0.000 1.282 820 A HN 0.866 nan 8.150 nan 0.000 0.412 821 R N 0.252 120.770 120.500 0.030 0.000 2.531 821 R HA 0.403 4.745 4.340 0.003 0.000 0.273 821 R C 0.848 177.166 176.300 0.030 0.000 1.070 821 R CA -0.594 55.532 56.100 0.043 0.000 1.112 821 R CB 0.874 31.222 30.300 0.080 0.000 1.049 821 R HN 0.410 nan 8.270 nan 0.000 0.508 822 V N 1.970 121.905 119.914 0.035 0.000 2.392 822 V HA -0.265 3.856 4.120 0.003 0.000 0.249 822 V C 2.378 178.483 176.094 0.017 0.000 1.059 822 V CA 1.920 64.222 62.300 0.003 0.000 1.051 822 V CB -0.578 31.291 31.823 0.077 0.000 0.658 822 V HN 0.645 nan 8.190 nan 0.000 0.455 823 R N 0.701 121.212 120.500 0.018 0.000 2.105 823 R HA -0.169 4.172 4.340 0.003 0.000 0.239 823 R C 1.903 178.068 176.300 -0.225 0.000 1.135 823 R CA 1.837 57.879 56.100 -0.096 0.000 0.967 823 R CB -0.760 29.514 30.300 -0.043 0.000 0.861 823 R HN 0.562 nan 8.270 nan 0.000 0.442 824 D N -0.218 120.176 120.400 -0.010 0.000 2.097 824 D HA -0.140 4.501 4.640 0.003 0.000 0.195 824 D C 1.928 178.245 176.300 0.029 0.000 0.989 824 D CA 1.556 55.623 54.000 0.111 0.000 0.827 824 D CB -0.156 40.725 40.800 0.136 0.000 0.966 824 D HN 0.307 nan 8.370 nan 0.000 0.456 825 I N 1.214 121.767 120.570 -0.030 0.000 2.286 825 I HA -0.221 3.950 4.170 0.003 0.000 0.248 825 I C 2.276 178.372 176.117 -0.034 0.000 1.115 825 I CA 1.031 62.275 61.300 -0.093 0.000 1.392 825 I CB -0.209 37.652 38.000 -0.232 0.000 1.065 825 I HN -0.020 nan 8.210 nan 0.000 0.418 826 E N 0.069 120.276 120.200 0.012 0.000 2.077 826 E HA -0.246 4.106 4.350 0.003 0.000 0.193 826 E C 2.067 178.668 176.600 0.001 0.000 0.989 826 E CA 1.467 57.874 56.400 0.011 0.000 0.800 826 E CB -0.253 29.439 29.700 -0.013 0.000 0.746 826 E HN 0.658 nan 8.360 nan 0.000 0.452 827 H N 0.224 119.332 119.070 0.064 0.000 2.353 827 H HA -0.082 4.476 4.556 0.003 0.000 0.300 827 H C 2.076 177.410 175.328 0.010 0.000 1.090 827 H CA 0.868 56.944 56.048 0.046 0.000 1.327 827 H CB 0.044 29.852 29.762 0.076 0.000 1.383 827 H HN 0.064 nan 8.280 nan 0.000 0.508 828 L N 0.240 121.532 121.223 0.115 0.000 2.478 828 L HA -0.051 4.291 4.340 0.003 0.000 0.223 828 L C 1.961 178.830 176.870 -0.002 0.000 1.140 828 L CA 1.234 56.096 54.840 0.036 0.000 0.842 828 L CB 0.100 42.153 42.059 -0.010 0.000 0.953 828 L HN 0.480 nan 8.230 nan 0.000 0.452 829 T N -6.249 108.302 114.554 -0.004 0.000 2.958 829 T HA 0.237 4.589 4.350 0.003 0.000 0.256 829 T C 1.450 176.159 174.700 0.015 0.000 0.983 829 T CA 0.449 62.551 62.100 0.003 0.000 0.924 829 T CB 0.812 69.692 68.868 0.019 0.000 1.136 829 T HN 0.232 nan 8.240 nan 0.000 0.506 830 G N 1.779 110.589 108.800 0.017 0.000 2.168 830 G HA2 -0.211 3.750 3.960 0.003 0.000 0.257 830 G HA3 -0.211 3.750 3.960 0.003 0.000 0.257 830 G C -0.100 174.869 174.900 0.115 0.000 0.997 830 G CA 0.526 45.691 45.100 0.108 0.000 0.708 830 G HN 0.662 nan 8.290 nan 0.000 0.520 831 L N -0.321 120.870 121.223 -0.054 0.000 2.344 831 L HA 0.677 5.018 4.340 0.003 0.000 0.272 831 L C -0.147 176.456 176.870 -0.444 0.000 1.035 831 L CA -0.884 53.769 54.840 -0.311 0.000 0.807 831 L CB 1.670 43.395 42.059 -0.557 0.000 1.237 831 L HN 0.147 nan 8.230 nan 0.000 0.442 832 D N 0.728 120.837 120.400 -0.486 0.000 2.481 832 D HA 0.470 5.111 4.640 0.003 0.000 0.246 832 D C -1.003 175.054 176.300 -0.406 0.000 1.109 832 D CA -0.236 53.577 54.000 -0.311 0.000 0.845 832 D CB 0.967 41.712 40.800 -0.091 0.000 1.160 832 D HN 0.076 nan 8.370 nan 0.000 0.534 833 F N 2.335 122.248 119.950 -0.060 0.000 2.411 833 F HA 0.335 4.864 4.527 0.002 0.000 0.324 833 F C 0.246 176.023 175.800 -0.038 0.000 1.086 833 F CA -0.663 57.222 58.000 -0.192 0.000 1.028 833 F CB 0.630 39.394 39.000 -0.394 0.000 1.284 833 F HN 0.322 nan 8.300 nan 0.000 0.501 834 Y N -0.602 119.846 120.300 0.245 0.000 3.389 834 Y HA -0.242 4.310 4.550 0.003 0.000 0.213 834 Y C 1.290 177.268 175.900 0.130 0.000 1.272 834 Y CA -0.167 58.029 58.100 0.160 0.000 1.444 834 Y CB -1.962 36.538 38.460 0.067 0.000 1.445 834 Y HN 0.472 nan 8.280 nan 0.000 0.583 835 R N 0.117 120.727 120.500 0.184 0.000 2.240 835 R HA 0.048 4.390 4.340 0.003 0.000 0.203 835 R C 0.234 176.586 176.300 0.087 0.000 1.011 835 R CA 0.708 56.862 56.100 0.091 0.000 1.007 835 R CB 0.182 30.495 30.300 0.022 0.000 0.911 835 R HN -0.001 nan 8.270 nan 0.000 0.468 836 K N 1.536 122.020 120.400 0.140 0.000 2.530 836 K HA 0.194 4.516 4.320 0.003 0.000 0.230 836 K C -0.411 176.297 176.600 0.180 0.000 1.002 836 K CA -0.104 56.258 56.287 0.124 0.000 1.014 836 K CB 1.625 34.185 32.500 0.100 0.000 1.286 836 K HN 0.077 nan 8.250 nan 0.000 0.480 837 T N -2.880 111.767 114.554 0.156 0.000 2.778 837 T HA 0.289 4.641 4.350 0.003 0.000 0.293 837 T C 0.752 175.514 174.700 0.103 0.000 1.144 837 T CA -0.585 61.617 62.100 0.170 0.000 1.010 837 T CB 1.297 70.274 68.868 0.181 0.000 1.325 837 T HN 0.154 nan 8.240 nan 0.000 0.515 838 S N -0.575 115.177 115.700 0.088 0.000 2.605 838 S HA 0.287 4.758 4.470 0.003 0.000 0.217 838 S C 0.532 175.156 174.600 0.040 0.000 0.958 838 S CA -0.754 57.479 58.200 0.055 0.000 0.919 838 S CB -0.304 62.925 63.200 0.047 0.000 0.780 838 S HN 0.615 nan 8.310 nan 0.000 0.507 839 R N 2.402 122.927 120.500 0.042 0.000 2.596 839 R HA 0.520 4.861 4.340 0.003 0.000 0.267 839 R C 0.472 176.800 176.300 0.047 0.000 1.026 839 R CA -0.427 55.687 56.100 0.024 0.000 1.087 839 R CB 0.429 30.725 30.300 -0.007 0.000 1.132 839 R HN 0.431 nan 8.270 nan 0.000 0.531 840 S N 0.230 115.955 115.700 0.041 0.000 2.584 840 S HA -0.044 4.427 4.470 0.003 0.000 0.270 840 S C 1.016 175.699 174.600 0.138 0.000 1.346 840 S CA -0.385 57.858 58.200 0.072 0.000 1.018 840 S CB 0.303 63.531 63.200 0.047 0.000 0.899 840 S HN 0.586 nan 8.310 nan 0.000 0.542 841 Y N 2.506 122.807 120.300 0.002 0.000 2.181 841 Y HA -0.075 4.477 4.550 0.003 0.000 0.288 841 Y C 2.587 178.497 175.900 0.018 0.000 1.146 841 Y CA 1.602 59.710 58.100 0.013 0.000 1.164 841 Y CB -1.162 37.304 38.460 0.010 0.000 0.982 841 Y HN 0.781 nan 8.280 nan 0.000 0.515 842 S N 0.209 115.910 115.700 0.003 0.000 2.370 842 S HA -0.229 4.243 4.470 0.003 0.000 0.226 842 S C 1.844 176.414 174.600 -0.050 0.000 1.033 842 S CA 1.697 59.856 58.200 -0.068 0.000 1.011 842 S CB -0.283 62.917 63.200 -0.000 0.000 0.852 842 S HN 0.587 nan 8.310 nan 0.000 0.457 843 E N 0.452 120.635 120.200 -0.028 0.000 2.110 843 E HA -0.090 4.262 4.350 0.003 0.000 0.193 843 E C 1.900 178.445 176.600 -0.092 0.000 0.988 843 E CA 0.820 57.177 56.400 -0.071 0.000 0.804 843 E CB -0.131 29.529 29.700 -0.067 0.000 0.745 843 E HN 0.343 nan 8.360 nan 0.000 0.458 844 I N 1.092 121.635 120.570 -0.046 0.000 2.286 844 I HA -0.230 3.941 4.170 0.003 0.000 0.248 844 I C 2.309 178.389 176.117 -0.063 0.000 1.115 844 I CA 1.226 62.491 61.300 -0.057 0.000 1.392 844 I CB -0.919 37.150 38.000 0.116 0.000 1.065 844 I HN 0.187 nan 8.210 nan 0.000 0.418 845 L N 0.078 121.237 121.223 -0.107 0.000 2.017 845 L HA -0.229 4.112 4.340 0.003 0.000 0.208 845 L C 2.542 179.387 176.870 -0.041 0.000 1.073 845 L CA 1.634 56.406 54.840 -0.113 0.000 0.745 845 L CB -1.063 40.861 42.059 -0.226 0.000 0.894 845 L HN 0.228 nan 8.230 nan 0.000 0.432 846 T N 0.409 114.939 114.554 -0.039 0.000 2.684 846 T HA -0.251 4.101 4.350 0.003 0.000 0.267 846 T C 1.848 176.539 174.700 -0.015 0.000 1.036 846 T CA 1.614 63.711 62.100 -0.006 0.000 1.148 846 T CB -0.392 68.437 68.868 -0.066 0.000 0.863 846 T HN 0.147 nan 8.240 nan 0.000 0.436 847 L N 1.150 122.316 121.223 -0.095 0.000 2.042 847 L HA -0.077 4.265 4.340 0.003 0.000 0.210 847 L C 2.221 179.067 176.870 -0.040 0.000 1.076 847 L CA 1.821 56.575 54.840 -0.143 0.000 0.749 847 L CB -0.426 41.429 42.059 -0.340 0.000 0.893 847 L HN 0.100 nan 8.230 nan 0.000 0.432 848 K N -1.214 119.181 120.400 -0.008 0.000 2.283 848 K HA -0.078 4.244 4.320 0.003 0.000 0.202 848 K C 1.693 178.346 176.600 0.089 0.000 1.048 848 K CA 1.533 57.867 56.287 0.079 0.000 0.948 848 K CB -0.264 32.306 32.500 0.117 0.000 0.742 848 K HN 0.618 nan 8.250 nan 0.000 0.458 849 T N -2.398 112.210 114.554 0.090 0.000 3.081 849 T HA -0.044 4.307 4.350 0.003 0.000 0.250 849 T C 0.533 175.310 174.700 0.128 0.000 1.100 849 T CA -0.387 61.776 62.100 0.106 0.000 1.038 849 T CB -0.362 68.565 68.868 0.098 0.000 0.962 849 T HN 0.092 nan 8.240 nan 0.000 0.516 850 Y N 1.855 122.165 120.300 0.016 0.000 2.610 850 Y HA 0.421 4.972 4.550 0.002 0.000 0.332 850 Y C -0.328 175.588 175.900 0.026 0.000 1.201 850 Y CA -1.471 56.637 58.100 0.013 0.000 1.465 850 Y CB 0.351 38.796 38.460 -0.025 0.000 1.283 850 Y HN 0.205 nan 8.280 nan 0.000 0.563 851 L N 6.933 127.724 121.223 -0.720 0.000 2.349 851 L HA 0.316 4.657 4.340 0.003 0.000 0.278 851 L C -1.544 174.809 176.870 -0.861 0.000 0.996 851 L CA -0.692 53.828 54.840 -0.533 0.000 0.825 851 L CB 0.948 42.875 42.059 -0.220 0.000 1.243 851 L HN 0.766 nan 8.230 nan 0.000 0.412 852 H N 2.101 120.797 119.070 -0.623 0.000 2.864 852 H HA 0.263 4.821 4.556 0.002 0.000 0.281 852 H C 1.003 176.119 175.328 -0.352 0.000 1.093 852 H CA 0.753 56.514 56.048 -0.477 0.000 1.453 852 H CB 0.974 30.556 29.762 -0.299 0.000 1.462 852 H HN 0.804 nan 8.280 nan 0.000 0.480 853 T N 0.906 115.138 114.554 -0.536 0.000 3.051 853 T HA -0.061 4.291 4.350 0.003 0.000 0.255 853 T C 0.466 175.143 174.700 -0.038 0.000 1.085 853 T CA 0.352 62.337 62.100 -0.193 0.000 1.109 853 T CB -0.260 68.538 68.868 -0.117 0.000 0.921 853 T HN 0.725 nan 8.240 nan 0.000 0.488 854 Y N 1.229 121.350 120.300 -0.297 0.000 4.177 854 Y HA -0.181 4.372 4.550 0.003 0.000 0.227 854 Y C 0.549 176.409 175.900 -0.066 0.000 1.154 854 Y CA 0.247 58.266 58.100 -0.135 0.000 1.887 854 Y CB -2.503 35.957 38.460 0.001 0.000 1.594 854 Y HN 0.368 nan 8.280 nan 0.000 0.668 855 E N 0.000 120.196 120.200 -0.007 0.000 2.725 855 E HA 0.000 4.352 4.350 0.003 0.000 0.291 855 E CA 0.000 56.401 56.400 0.001 0.000 0.976 855 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440