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 3nkp_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 KXXXXXXXXR LHTKGSTEER 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 4.876 118.904 114.554 -0.877 0.000 2.792 52 T HA 0.182 4.532 4.350 0.000 0.000 0.280 52 T C -0.618 173.229 174.700 -1.421 0.000 0.990 52 T CA -0.558 61.010 62.100 -0.886 0.000 0.960 52 T CB 0.856 69.451 68.868 -0.453 0.000 0.939 52 T HN 0.344 nan 8.240 nan 0.000 0.439 53 N N 2.372 120.339 118.700 -1.222 0.000 2.605 53 N HA 0.015 4.755 4.740 0.000 0.000 0.258 53 N C 1.376 176.668 175.510 -0.363 0.000 1.156 53 N CA 0.040 52.549 53.050 -0.901 0.000 1.008 53 N CB 0.804 39.022 38.487 -0.448 0.000 1.354 53 N HN 0.636 nan 8.380 nan 0.000 0.509 54 T N 0.539 114.929 114.554 -0.273 0.000 3.025 54 T HA -0.054 4.296 4.350 0.000 0.000 0.270 54 T C 1.287 176.016 174.700 0.047 0.000 1.126 54 T CA 1.337 63.379 62.100 -0.097 0.000 1.105 54 T CB -0.050 68.787 68.868 -0.051 0.000 0.884 54 T HN 0.383 nan 8.240 nan 0.000 0.522 55 S N 0.483 116.208 115.700 0.042 0.000 2.442 55 S HA 0.165 4.635 4.470 0.000 0.000 0.236 55 S C 1.443 176.154 174.600 0.185 0.000 1.007 55 S CA 0.437 58.691 58.200 0.089 0.000 0.965 55 S CB -0.662 62.572 63.200 0.056 0.000 0.773 55 S HN 0.819 nan 8.310 nan 0.000 0.504 56 G N 0.941 109.808 108.800 0.112 0.000 2.647 56 G HA2 0.352 4.312 3.960 0.000 0.000 0.271 56 G HA3 0.352 4.312 3.960 0.000 0.000 0.271 56 G C -0.280 174.684 174.900 0.107 0.000 1.300 56 G CA -0.231 44.923 45.100 0.090 0.000 0.997 56 G HN 0.328 nan 8.290 nan 0.000 0.533 57 S N -2.540 113.178 115.700 0.029 0.000 2.542 57 S HA 0.300 4.770 4.470 0.000 0.000 0.293 57 S C 0.344 174.916 174.600 -0.047 0.000 1.089 57 S CA -0.772 57.398 58.200 -0.049 0.000 0.961 57 S CB 1.394 64.597 63.200 0.004 0.000 1.062 57 S HN 0.575 nan 8.310 nan 0.000 0.483 58 c N 3.300 121.860 118.600 -0.067 0.000 2.625 58 c HA 0.421 4.992 4.570 0.000 0.000 0.285 58 c C 1.365 175.453 174.090 -0.004 0.000 1.279 58 c CA -0.054 56.267 56.329 -0.014 0.000 1.698 58 c CB -2.056 40.472 42.510 0.030 0.000 1.821 58 c HN 0.927 nan 8.230 nan 0.000 0.600 59 K N 0.521 120.915 120.400 -0.011 0.000 2.466 59 K HA 0.351 4.671 4.320 0.000 0.000 0.278 59 K C 1.274 177.887 176.600 0.022 0.000 1.048 59 K CA 0.786 57.076 56.287 0.005 0.000 1.088 59 K CB -0.936 31.569 32.500 0.009 0.000 0.884 59 K HN 1.319 nan 8.250 nan 0.000 0.478 60 G N 1.658 110.477 108.800 0.032 0.000 2.258 60 G HA2 -0.287 3.673 3.960 0.000 0.000 0.274 60 G HA3 -0.287 3.673 3.960 0.000 0.000 0.274 60 G C 0.849 175.786 174.900 0.062 0.000 1.021 60 G CA 0.737 45.866 45.100 0.048 0.000 0.798 60 G HN 0.781 nan 8.290 nan 0.000 0.507 61 R N -1.624 118.915 120.500 0.065 0.000 2.541 61 R HA 0.132 4.472 4.340 0.000 0.000 0.332 61 R C 0.926 177.291 176.300 0.108 0.000 0.951 61 R CA 0.047 56.192 56.100 0.074 0.000 1.136 61 R CB 0.261 30.585 30.300 0.040 0.000 1.449 61 R HN 0.397 nan 8.270 nan 0.000 0.531 62 c N 2.376 121.046 118.600 0.116 0.000 2.523 62 c HA -0.015 4.555 4.570 0.000 0.000 0.406 62 c C 0.933 175.206 174.090 0.305 0.000 1.449 62 c CA 0.464 56.865 56.329 0.120 0.000 1.588 62 c CB -1.858 40.734 42.510 0.137 0.000 2.514 62 c HN 0.607 nan 8.230 nan 0.000 0.606 63 F N 0.698 120.837 119.950 0.315 0.000 3.048 63 F HA -0.209 4.318 4.527 0.001 0.000 0.269 63 F C 1.152 177.214 175.800 0.436 0.000 0.960 63 F CA 1.127 59.365 58.000 0.398 0.000 0.909 63 F CB -1.517 37.716 39.000 0.388 0.000 0.837 63 F HN 0.798 nan 8.300 nan 0.000 0.768 64 E N 0.376 120.777 120.200 0.334 0.000 2.418 64 E HA 0.210 4.561 4.350 0.000 0.000 0.261 64 E C 0.592 177.264 176.600 0.119 0.000 1.070 64 E CA -0.448 56.080 56.400 0.214 0.000 0.931 64 E CB 0.800 30.561 29.700 0.102 0.000 0.954 64 E HN 0.564 nan 8.360 nan 0.000 0.439 65 L N 0.704 121.922 121.223 -0.009 0.000 2.513 65 L HA -0.010 4.330 4.340 0.000 0.000 0.222 65 L C 1.235 178.031 176.870 -0.123 0.000 1.096 65 L CA -0.103 54.638 54.840 -0.165 0.000 0.857 65 L CB -0.252 41.606 42.059 -0.335 0.000 1.026 65 L HN 0.633 nan 8.230 nan 0.000 0.469 66 Q N 0.864 120.621 119.800 -0.072 0.000 2.392 66 Q HA 0.261 4.601 4.340 0.000 0.000 0.262 66 Q C 0.052 176.008 176.000 -0.074 0.000 1.003 66 Q CA 0.022 55.785 55.803 -0.066 0.000 0.888 66 Q CB 0.280 28.992 28.738 -0.043 0.000 1.260 66 Q HN 0.195 nan 8.270 nan 0.000 0.435 67 E N 2.019 122.174 120.200 -0.075 0.000 2.324 67 E HA 0.417 4.768 4.350 0.000 0.000 0.271 67 E C -0.913 175.637 176.600 -0.083 0.000 1.028 67 E CA -0.433 55.917 56.400 -0.084 0.000 0.890 67 E CB 1.085 30.741 29.700 -0.073 0.000 1.004 67 E HN 0.469 nan 8.360 nan 0.000 0.431 68 V N 2.679 122.529 119.914 -0.106 0.000 2.488 68 V HA 0.714 4.834 4.120 0.000 0.000 0.293 68 V C 0.584 176.596 176.094 -0.136 0.000 1.027 68 V CA -0.286 61.950 62.300 -0.106 0.000 0.862 68 V CB 1.751 33.512 31.823 -0.103 0.000 1.008 68 V HN 0.997 nan 8.190 nan 0.000 0.428 69 G N 4.582 113.311 108.800 -0.119 0.000 2.537 69 G HA2 0.771 4.731 3.960 0.000 0.000 0.323 69 G HA3 0.771 4.731 3.960 0.000 0.000 0.323 69 G C -2.998 171.833 174.900 -0.116 0.000 1.207 69 G CA -1.949 43.073 45.100 -0.131 0.000 0.976 69 G HN 0.499 nan 8.290 nan 0.000 0.487 70 P HA 0.090 nan 4.420 nan 0.000 0.267 70 P C -1.811 175.457 177.300 -0.053 0.000 1.195 70 P CA -0.577 62.461 63.100 -0.104 0.000 0.773 70 P CB 0.431 32.088 31.700 -0.071 0.000 0.837 71 P HA 0.056 nan 4.420 nan 0.000 0.249 71 P C -0.672 176.511 177.300 -0.195 0.000 1.229 71 P CA 0.490 63.537 63.100 -0.089 0.000 0.788 71 P CB -0.018 31.725 31.700 0.072 0.000 1.072 72 D N 0.257 120.579 120.400 -0.131 0.000 2.455 72 D HA 0.075 4.715 4.640 0.000 0.000 0.241 72 D C 0.595 176.788 176.300 -0.178 0.000 1.138 72 D CA 0.035 53.955 54.000 -0.133 0.000 0.877 72 D CB 0.195 40.941 40.800 -0.090 0.000 1.187 72 D HN 0.242 nan 8.370 nan 0.000 0.451 73 c N 1.639 120.135 118.600 -0.173 0.000 2.443 73 c HA 0.682 5.253 4.570 0.000 0.000 0.369 73 c C 0.289 174.285 174.090 -0.156 0.000 1.241 73 c CA -1.022 55.198 56.329 -0.183 0.000 2.413 73 c CB 0.396 42.808 42.510 -0.162 0.000 2.451 73 c HN 0.559 nan 8.230 nan 0.000 0.595 74 R N 1.117 121.504 120.500 -0.189 0.000 2.782 74 R HA 0.664 5.004 4.340 0.000 0.000 0.258 74 R C -0.380 175.783 176.300 -0.228 0.000 1.055 74 R CA -0.702 55.280 56.100 -0.197 0.000 1.065 74 R CB 1.067 31.228 30.300 -0.233 0.000 1.172 74 R HN 0.850 nan 8.270 nan 0.000 0.510 75 c N -0.276 118.209 118.600 -0.192 0.000 3.722 75 c HA 0.130 4.700 4.570 0.000 0.000 0.279 75 c C -0.281 173.720 174.090 -0.149 0.000 1.819 75 c CA -0.748 55.501 56.329 -0.134 0.000 1.744 75 c CB -1.165 41.366 42.510 0.036 0.000 3.247 75 c HN 0.953 nan 8.230 nan 0.000 0.549 76 D N 0.881 121.172 120.400 -0.181 0.000 2.423 76 D HA 0.159 4.799 4.640 0.000 0.000 0.255 76 D C 0.944 177.229 176.300 -0.025 0.000 1.174 76 D CA -0.328 53.656 54.000 -0.026 0.000 1.008 76 D CB 0.586 41.373 40.800 -0.022 0.000 1.101 76 D HN 0.114 nan 8.370 nan 0.000 0.516 77 N N -0.102 118.761 118.700 0.272 0.000 2.609 77 N HA -0.125 4.615 4.740 0.000 0.000 0.190 77 N C 1.157 176.774 175.510 0.179 0.000 1.157 77 N CA 1.108 54.406 53.050 0.413 0.000 0.918 77 N CB -0.734 38.044 38.487 0.485 0.000 0.978 77 N HN 0.529 nan 8.380 nan 0.000 0.448 78 L N -0.639 120.611 121.223 0.045 0.000 2.808 78 L HA 0.325 4.665 4.340 0.000 0.000 0.246 78 L C 2.467 179.369 176.870 0.053 0.000 1.153 78 L CA 0.327 55.214 54.840 0.080 0.000 0.956 78 L CB -1.424 40.712 42.059 0.128 0.000 1.270 78 L HN 0.570 nan 8.230 nan 0.000 0.528 79 c N -1.555 116.951 118.600 -0.158 0.000 2.446 79 c HA -0.114 4.456 4.570 0.000 0.000 0.277 79 c C 2.501 176.476 174.090 -0.191 0.000 1.275 79 c CA 1.074 57.257 56.329 -0.244 0.000 1.727 79 c CB -1.014 41.184 42.510 -0.521 0.000 2.010 79 c HN 0.664 nan 8.230 nan 0.000 0.486 80 K N 1.768 122.040 120.400 -0.214 0.000 2.103 80 K HA -0.112 4.208 4.320 0.000 0.000 0.207 80 K C 2.294 178.852 176.600 -0.070 0.000 1.048 80 K CA 1.912 58.143 56.287 -0.094 0.000 0.930 80 K CB -0.427 32.090 32.500 0.029 0.000 0.716 80 K HN 0.575 nan 8.250 nan 0.000 0.444 81 S N 0.249 115.910 115.700 -0.064 0.000 2.447 81 S HA -0.093 4.378 4.470 0.000 0.000 0.233 81 S C 1.321 175.620 174.600 -0.501 0.000 1.006 81 S CA 0.967 59.053 58.200 -0.191 0.000 0.957 81 S CB -0.152 62.998 63.200 -0.084 0.000 0.773 81 S HN 0.317 nan 8.310 nan 0.000 0.507 82 Y N 1.196 121.312 120.300 -0.306 0.000 2.458 82 Y HA 0.230 4.781 4.550 0.000 0.000 0.256 82 Y C 1.055 176.815 175.900 -0.234 0.000 1.159 82 Y CA -0.377 57.527 58.100 -0.328 0.000 1.261 82 Y CB 0.034 38.330 38.460 -0.274 0.000 1.119 82 Y HN 0.018 nan 8.280 nan 0.000 0.524 83 S N 0.222 115.872 115.700 -0.084 0.000 3.614 83 S HA -0.202 4.268 4.470 0.000 0.000 0.360 83 S C 0.833 175.380 174.600 -0.088 0.000 1.023 83 S CA 0.948 59.100 58.200 -0.079 0.000 1.114 83 S CB -1.831 61.327 63.200 -0.070 0.000 0.907 83 S HN 0.603 nan 8.310 nan 0.000 0.470 84 S N -2.619 113.013 115.700 -0.114 0.000 2.846 84 S HA 0.383 4.853 4.470 0.000 0.000 0.249 84 S C 0.489 174.967 174.600 -0.204 0.000 1.028 84 S CA -0.287 57.816 58.200 -0.161 0.000 1.043 84 S CB -0.206 62.894 63.200 -0.166 0.000 0.990 84 S HN 0.562 nan 8.310 nan 0.000 0.564 85 c N 2.172 120.640 118.600 -0.221 0.000 2.676 85 c HA 0.416 4.986 4.570 0.000 0.000 0.416 85 c C 1.497 175.507 174.090 -0.135 0.000 1.299 85 c CA -0.809 55.354 56.329 -0.277 0.000 2.048 85 c CB -0.843 41.458 42.510 -0.349 0.000 2.713 85 c HN 0.659 nan 8.230 nan 0.000 0.624 86 c N 3.539 122.077 118.600 -0.102 0.000 2.700 86 c HA 0.055 4.625 4.570 0.000 0.000 0.397 86 c C 2.248 176.326 174.090 -0.021 0.000 1.301 86 c CA -0.196 56.101 56.329 -0.052 0.000 2.219 86 c CB -0.222 42.243 42.510 -0.075 0.000 2.699 86 c HN 1.057 nan 8.230 nan 0.000 0.669 87 H N 1.405 120.485 119.070 0.017 0.000 2.489 87 H HA -0.113 4.443 4.556 0.001 0.000 0.295 87 H C 0.662 176.023 175.328 0.055 0.000 1.082 87 H CA 1.902 57.970 56.048 0.032 0.000 1.295 87 H CB -0.354 29.420 29.762 0.020 0.000 1.380 87 H HN 0.818 nan 8.280 nan 0.000 0.548 88 D N -0.557 119.510 120.400 -0.554 0.000 2.424 88 D HA -0.031 4.609 4.640 0.000 0.000 0.220 88 D C 1.598 177.826 176.300 -0.121 0.000 1.150 88 D CA -0.669 53.136 54.000 -0.326 0.000 0.831 88 D CB -1.014 39.509 40.800 -0.462 0.000 0.981 88 D HN 0.271 nan 8.370 nan 0.000 0.500 89 F N 2.050 121.895 119.950 -0.175 0.000 2.031 89 F HA -0.143 4.384 4.527 0.000 0.000 0.295 89 F C 1.200 176.949 175.800 -0.085 0.000 1.133 89 F CA 1.790 59.709 58.000 -0.136 0.000 1.188 89 F CB -0.310 38.611 39.000 -0.131 0.000 0.974 89 F HN -0.178 nan 8.300 nan 0.000 0.473 90 D N -0.187 120.159 120.400 -0.090 0.000 2.172 90 D HA -0.249 4.391 4.640 0.000 0.000 0.196 90 D C 2.182 178.380 176.300 -0.171 0.000 0.999 90 D CA 1.765 55.670 54.000 -0.158 0.000 0.856 90 D CB -0.238 40.580 40.800 0.029 0.000 0.934 90 D HN 0.583 nan 8.370 nan 0.000 0.453 91 E N 0.063 120.195 120.200 -0.114 0.000 2.028 91 E HA -0.099 4.251 4.350 0.000 0.000 0.190 91 E C 1.932 178.469 176.600 -0.105 0.000 0.984 91 E CA 0.586 56.936 56.400 -0.083 0.000 0.800 91 E CB 0.046 29.720 29.700 -0.042 0.000 0.758 91 E HN 0.266 nan 8.360 nan 0.000 0.448 92 L N -0.026 121.117 121.223 -0.132 0.000 2.270 92 L HA -0.026 4.314 4.340 0.000 0.000 0.210 92 L C 2.182 178.976 176.870 -0.126 0.000 1.104 92 L CA 0.326 55.104 54.840 -0.103 0.000 0.804 92 L CB 0.160 42.170 42.059 -0.081 0.000 0.937 92 L HN 0.362 nan 8.230 nan 0.000 0.450 93 c N -0.957 117.473 118.600 -0.284 0.000 2.935 93 c HA 0.242 4.813 4.570 0.000 0.000 0.308 93 c C 1.557 175.537 174.090 -0.183 0.000 1.263 93 c CA -0.366 55.770 56.329 -0.322 0.000 1.738 93 c CB 0.072 42.090 42.510 -0.820 0.000 2.237 93 c HN 0.307 nan 8.230 nan 0.000 0.600 94 L N 1.226 122.310 121.223 -0.232 0.000 3.141 94 L HA 0.217 4.557 4.340 0.000 0.000 0.263 94 L C -0.041 176.824 176.870 -0.009 0.000 1.312 94 L CA 0.055 54.861 54.840 -0.057 0.000 1.012 94 L CB -0.397 41.603 42.059 -0.098 0.000 1.408 94 L HN 0.238 nan 8.230 nan 0.000 0.559 95 K N 0.568 120.956 120.400 -0.019 0.000 2.469 95 K HA 0.064 4.385 4.320 0.000 0.000 0.274 95 K C 1.100 177.629 176.600 -0.118 0.000 0.983 95 K CA 0.716 56.965 56.287 -0.064 0.000 0.974 95 K CB 0.670 33.127 32.500 -0.072 0.000 0.913 95 K HN 0.231 nan 8.250 nan 0.000 0.493 96 T N -2.651 111.782 114.554 -0.202 0.000 3.080 96 T HA 0.193 4.543 4.350 0.000 0.000 0.280 96 T C 0.428 174.882 174.700 -0.410 0.000 0.926 96 T CA -0.395 61.494 62.100 -0.350 0.000 0.883 96 T CB 0.445 69.216 68.868 -0.161 0.000 1.194 96 T HN 0.514 nan 8.240 nan 0.000 0.541 97 A N 2.485 125.134 122.820 -0.286 0.000 2.537 97 A HA 0.486 4.806 4.320 0.000 0.000 0.260 97 A C 1.104 178.518 177.584 -0.283 0.000 1.082 97 A CA 0.138 52.036 52.037 -0.231 0.000 0.765 97 A CB -0.569 18.338 19.000 -0.154 0.000 1.019 97 A HN 0.555 nan 8.150 nan 0.000 0.507 98 R N 1.038 121.390 120.500 -0.247 0.000 3.804 98 R HA -0.187 4.154 4.340 0.000 0.000 0.459 98 R C 0.949 177.075 176.300 -0.290 0.000 1.009 98 R CA 0.962 56.932 56.100 -0.218 0.000 1.210 98 R CB -2.445 27.753 30.300 -0.170 0.000 1.860 98 R HN 2.739 nan 8.270 nan 0.000 0.526 99 G N -0.406 108.104 108.800 -0.483 0.000 2.584 99 G HA2 -0.297 3.664 3.960 0.000 0.000 0.229 99 G HA3 -0.297 3.664 3.960 0.000 0.000 0.229 99 G C -0.092 174.352 174.900 -0.760 0.000 1.320 99 G CA 0.199 44.906 45.100 -0.656 0.000 0.891 99 G HN 0.237 nan 8.290 nan 0.000 0.573 100 W N 0.888 122.159 121.300 -0.049 0.000 2.870 100 W HA 0.544 5.204 4.660 0.000 0.000 0.358 100 W C 0.788 177.286 176.519 -0.034 0.000 1.043 100 W CA -0.007 57.307 57.345 -0.052 0.000 1.692 100 W CB 0.780 30.210 29.460 -0.050 0.000 1.100 100 W HN 0.530 nan 8.180 nan 0.000 0.557 101 E N 0.074 120.341 120.200 0.112 0.000 2.272 101 E HA 0.332 4.682 4.350 0.000 0.000 0.269 101 E C -0.896 175.735 176.600 0.051 0.000 0.877 101 E CA -0.854 55.602 56.400 0.094 0.000 0.755 101 E CB 1.900 31.655 29.700 0.092 0.000 1.192 101 E HN -0.234 nan 8.360 nan 0.000 0.422 102 c N 2.291 120.936 118.600 0.074 0.000 2.644 102 c HA 0.369 4.940 4.570 0.000 0.000 0.417 102 c C 0.809 174.927 174.090 0.047 0.000 1.304 102 c CA -0.242 56.132 56.329 0.074 0.000 2.035 102 c CB -0.519 42.076 42.510 0.142 0.000 2.673 102 c HN 0.716 nan 8.230 nan 0.000 0.602 103 T N -0.644 113.930 114.554 0.032 0.000 2.932 103 T HA 0.591 4.941 4.350 0.000 0.000 0.289 103 T C 0.872 175.580 174.700 0.015 0.000 1.039 103 T CA -0.153 61.958 62.100 0.018 0.000 1.024 103 T CB 1.505 70.377 68.868 0.008 0.000 1.090 103 T HN 0.728 nan 8.240 nan 0.000 0.496 104 K N 0.912 121.314 120.400 0.002 0.000 2.127 104 K HA -0.186 4.134 4.320 0.000 0.000 0.208 104 K C 1.601 178.204 176.600 0.005 0.000 1.047 104 K CA 2.343 58.628 56.287 -0.004 0.000 0.927 104 K CB -1.587 30.907 32.500 -0.010 0.000 0.716 104 K HN 0.957 nan 8.250 nan 0.000 0.450 105 D N -1.096 119.308 120.400 0.006 0.000 2.363 105 D HA -0.109 4.532 4.640 0.000 0.000 0.226 105 D C 1.458 177.767 176.300 0.015 0.000 1.020 105 D CA 0.385 54.389 54.000 0.007 0.000 0.892 105 D CB -0.012 40.789 40.800 0.001 0.000 0.900 105 D HN 0.548 nan 8.370 nan 0.000 0.531 106 R N -0.439 120.077 120.500 0.026 0.000 2.335 106 R HA 0.182 4.523 4.340 0.000 0.000 0.210 106 R C 0.518 176.861 176.300 0.072 0.000 0.892 106 R CA -0.265 55.859 56.100 0.041 0.000 1.048 106 R CB 0.492 30.816 30.300 0.040 0.000 1.067 106 R HN 0.097 nan 8.270 nan 0.000 0.524 107 c N 1.653 120.296 118.600 0.071 0.000 2.611 107 c HA 0.178 4.748 4.570 0.000 0.000 0.416 107 c C 1.676 175.822 174.090 0.093 0.000 1.366 107 c CA 0.670 57.061 56.329 0.103 0.000 1.761 107 c CB -0.154 42.380 42.510 0.040 0.000 2.619 107 c HN 0.870 nan 8.230 nan 0.000 0.606 108 G N 3.034 111.916 108.800 0.136 0.000 2.283 108 G HA2 -0.224 3.736 3.960 0.000 0.000 0.280 108 G HA3 -0.224 3.736 3.960 0.000 0.000 0.280 108 G C 0.012 174.947 174.900 0.058 0.000 1.029 108 G CA 0.703 45.858 45.100 0.092 0.000 0.840 108 G HN 0.961 nan 8.290 nan 0.000 0.505 109 E N -1.088 119.148 120.200 0.060 0.000 2.392 109 E HA 0.513 4.863 4.350 0.000 0.000 0.256 109 E C 0.251 176.865 176.600 0.023 0.000 1.145 109 E CA -0.965 55.458 56.400 0.037 0.000 0.929 109 E CB 1.270 30.995 29.700 0.041 0.000 0.998 109 E HN 0.123 nan 8.360 nan 0.000 0.442 110 V N 1.907 121.830 119.914 0.015 0.000 2.555 110 V HA 0.036 4.157 4.120 0.000 0.000 0.286 110 V C 0.829 176.925 176.094 0.003 0.000 1.044 110 V CA -0.173 62.129 62.300 0.003 0.000 1.026 110 V CB 0.626 32.450 31.823 0.001 0.000 0.981 110 V HN 0.656 nan 8.190 nan 0.000 0.480 111 R N 4.584 125.071 120.500 -0.023 0.000 2.483 111 R HA -0.020 4.320 4.340 0.000 0.000 0.329 111 R C 0.007 176.296 176.300 -0.018 0.000 0.961 111 R CA 0.077 56.148 56.100 -0.048 0.000 1.041 111 R CB -0.070 30.146 30.300 -0.141 0.000 0.930 111 R HN 0.750 nan 8.270 nan 0.000 0.413 112 N N 3.529 122.260 118.700 0.053 0.000 2.437 112 N HA 0.019 4.759 4.740 0.000 0.000 0.259 112 N C -0.056 175.534 175.510 0.134 0.000 0.983 112 N CA -0.348 52.738 53.050 0.059 0.000 0.937 112 N CB 1.398 39.911 38.487 0.044 0.000 1.122 112 N HN 0.562 nan 8.380 nan 0.000 0.499 113 E N 1.795 122.040 120.200 0.075 0.000 2.515 113 E HA -0.142 4.208 4.350 0.000 0.000 0.201 113 E C 0.262 176.926 176.600 0.106 0.000 1.071 113 E CA 0.502 56.967 56.400 0.108 0.000 0.880 113 E CB 0.391 30.109 29.700 0.030 0.000 0.828 113 E HN 0.623 nan 8.360 nan 0.000 0.540 114 E N 0.647 120.883 120.200 0.060 0.000 2.385 114 E HA 0.003 4.353 4.350 0.000 0.000 0.194 114 E C 0.189 176.760 176.600 -0.047 0.000 1.013 114 E CA 0.025 56.427 56.400 0.002 0.000 0.866 114 E CB 0.169 29.860 29.700 -0.014 0.000 0.832 114 E HN 0.071 nan 8.360 nan 0.000 0.500 115 N N 0.029 118.698 118.700 -0.052 0.000 2.482 115 N HA 0.056 4.796 4.740 0.000 0.000 0.260 115 N C 0.613 175.929 175.510 -0.323 0.000 1.236 115 N CA 0.661 53.590 53.050 -0.202 0.000 0.938 115 N CB 1.327 39.682 38.487 -0.220 0.000 1.128 115 N HN 0.107 nan 8.380 nan 0.000 0.448 116 A N 0.901 123.493 122.820 -0.380 0.000 1.902 116 A HA -0.060 4.261 4.320 0.000 0.000 0.217 116 A C 0.925 178.317 177.584 -0.320 0.000 1.181 116 A CA 1.257 53.056 52.037 -0.396 0.000 0.623 116 A CB -0.456 18.059 19.000 -0.808 0.000 0.818 116 A HN 0.832 nan 8.150 nan 0.000 0.443 117 c N -4.197 114.148 118.600 -0.425 0.000 3.323 117 c HA 0.821 5.392 4.570 0.000 0.000 0.324 117 c C -0.673 173.070 174.090 -0.578 0.000 1.428 117 c CA -1.278 54.801 56.329 -0.417 0.000 1.368 117 c CB 0.785 43.248 42.510 -0.079 0.000 1.731 117 c HN 0.488 nan 8.230 nan 0.000 0.455 118 H N -1.145 117.891 119.070 -0.058 0.000 2.679 118 H HA 0.559 5.115 4.556 0.000 0.000 0.367 118 H C -0.532 174.709 175.328 -0.146 0.000 1.162 118 H CA -0.443 55.549 56.048 -0.094 0.000 1.181 118 H CB 1.781 31.478 29.762 -0.108 0.000 1.693 118 H HN 0.891 nan 8.280 nan 0.000 0.538 119 c N 0.616 119.221 118.600 0.008 0.000 3.657 119 c HA 0.119 4.689 4.570 0.000 0.000 0.291 119 c C 1.172 175.260 174.090 -0.002 0.000 1.572 119 c CA -0.477 55.855 56.329 0.006 0.000 1.818 119 c CB -1.030 41.594 42.510 0.190 0.000 2.903 119 c HN 0.768 nan 8.230 nan 0.000 0.632 120 S N 0.955 116.620 115.700 -0.057 0.000 2.593 120 S HA 0.195 4.666 4.470 0.000 0.000 0.269 120 S C 0.820 175.371 174.600 -0.082 0.000 1.334 120 S CA 0.197 58.378 58.200 -0.032 0.000 1.015 120 S CB 1.062 64.236 63.200 -0.043 0.000 0.912 120 S HN 0.367 nan 8.310 nan 0.000 0.541 121 E N 0.948 121.152 120.200 0.007 0.000 2.267 121 E HA -0.188 4.162 4.350 0.000 0.000 0.197 121 E C 1.136 177.727 176.600 -0.015 0.000 0.998 121 E CA 1.803 58.229 56.400 0.042 0.000 0.830 121 E CB -0.273 29.458 29.700 0.053 0.000 0.751 121 E HN 0.851 nan 8.360 nan 0.000 0.491 122 D N -1.085 119.280 120.400 -0.060 0.000 2.350 122 D HA -0.083 4.557 4.640 0.000 0.000 0.213 122 D C 1.874 178.113 176.300 -0.102 0.000 1.031 122 D CA 0.678 54.640 54.000 -0.063 0.000 0.861 122 D CB -1.164 39.600 40.800 -0.060 0.000 0.926 122 D HN 0.399 nan 8.370 nan 0.000 0.520 123 c N -0.495 117.998 118.600 -0.179 0.000 2.403 123 c HA -0.038 4.532 4.570 0.000 0.000 0.279 123 c C 2.432 176.443 174.090 -0.131 0.000 1.269 123 c CA 0.094 56.307 56.329 -0.193 0.000 1.774 123 c CB -1.682 40.648 42.510 -0.299 0.000 1.993 123 c HN 0.257 nan 8.230 nan 0.000 0.496 124 L N 2.096 123.250 121.223 -0.115 0.000 2.056 124 L HA -0.055 4.285 4.340 0.000 0.000 0.207 124 L C 2.842 179.716 176.870 0.006 0.000 1.078 124 L CA 2.307 57.132 54.840 -0.025 0.000 0.749 124 L CB -0.574 41.507 42.059 0.037 0.000 0.901 124 L HN 0.426 nan 8.230 nan 0.000 0.433 125 S N -0.741 114.959 115.700 0.000 0.000 2.383 125 S HA -0.118 4.353 4.470 0.000 0.000 0.227 125 S C 1.918 176.527 174.600 0.015 0.000 1.026 125 S CA 1.008 59.217 58.200 0.016 0.000 0.981 125 S CB -0.302 62.904 63.200 0.010 0.000 0.818 125 S HN 0.431 nan 8.310 nan 0.000 0.472 126 R N 0.675 121.170 120.500 -0.008 0.000 2.236 126 R HA 0.151 4.491 4.340 0.000 0.000 0.208 126 R C 1.479 177.793 176.300 0.023 0.000 1.036 126 R CA 0.542 56.640 56.100 -0.003 0.000 1.001 126 R CB -0.254 30.018 30.300 -0.047 0.000 0.896 126 R HN 0.471 nan 8.270 nan 0.000 0.464 127 G N 2.481 111.294 108.800 0.021 0.000 2.160 127 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 127 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 127 G C -0.272 174.652 174.900 0.039 0.000 1.022 127 G CA 0.512 45.636 45.100 0.039 0.000 0.741 127 G HN 0.553 nan 8.290 nan 0.000 0.508 128 D N -0.925 119.500 120.400 0.042 0.000 2.740 128 D HA 0.279 4.920 4.640 0.000 0.000 0.301 128 D C 0.781 177.132 176.300 0.085 0.000 1.408 128 D CA -0.293 53.761 54.000 0.089 0.000 0.808 128 D CB -0.973 39.940 40.800 0.187 0.000 1.128 128 D HN 0.260 nan 8.370 nan 0.000 0.465 129 c N 0.681 119.278 118.600 -0.006 0.000 2.679 129 c HA 0.240 4.810 4.570 0.000 0.000 0.417 129 c C 1.346 175.445 174.090 0.015 0.000 1.302 129 c CA -0.732 55.557 56.329 -0.066 0.000 1.973 129 c CB -0.071 42.361 42.510 -0.130 0.000 2.715 129 c HN 0.519 nan 8.230 nan 0.000 0.628 130 c N 2.729 121.349 118.600 0.034 0.000 2.665 130 c HA 0.150 4.720 4.570 0.000 0.000 0.416 130 c C 2.249 176.401 174.090 0.105 0.000 1.305 130 c CA 0.430 56.807 56.329 0.080 0.000 1.903 130 c CB -0.148 42.418 42.510 0.092 0.000 2.704 130 c HN 1.063 nan 8.230 nan 0.000 0.629 131 T N -0.253 114.349 114.554 0.081 0.000 2.929 131 T HA -0.176 4.174 4.350 0.000 0.000 0.271 131 T C 1.093 175.843 174.700 0.082 0.000 1.085 131 T CA 1.722 63.858 62.100 0.059 0.000 1.125 131 T CB -0.419 68.457 68.868 0.013 0.000 0.874 131 T HN 0.842 nan 8.240 nan 0.000 0.494 132 N N 0.177 118.939 118.700 0.103 0.000 2.268 132 N HA -0.013 4.727 4.740 0.000 0.000 0.204 132 N C 1.199 176.740 175.510 0.052 0.000 1.124 132 N CA -0.383 52.711 53.050 0.074 0.000 0.838 132 N CB -0.724 37.831 38.487 0.113 0.000 0.994 132 N HN 0.503 nan 8.380 nan 0.000 0.489 133 Y N 1.781 122.075 120.300 -0.009 0.000 2.081 133 Y HA -0.254 4.297 4.550 0.001 0.000 0.280 133 Y C 2.092 177.974 175.900 -0.030 0.000 1.163 133 Y CA 2.190 60.284 58.100 -0.010 0.000 1.135 133 Y CB -0.266 38.197 38.460 0.006 0.000 0.970 133 Y HN 0.155 nan 8.280 nan 0.000 0.498 134 Q N -0.779 118.868 119.800 -0.255 0.000 2.167 134 Q HA -0.134 4.207 4.340 0.000 0.000 0.202 134 Q C 2.329 178.154 176.000 -0.291 0.000 0.970 134 Q CA 1.748 57.335 55.803 -0.360 0.000 0.855 134 Q CB -0.200 28.453 28.738 -0.140 0.000 0.911 134 Q HN 0.447 nan 8.270 nan 0.000 0.438 135 V N 0.077 119.844 119.914 -0.245 0.000 2.307 135 V HA -0.200 3.920 4.120 0.000 0.000 0.245 135 V C 2.146 178.105 176.094 -0.225 0.000 1.045 135 V CA 1.403 63.536 62.300 -0.278 0.000 1.024 135 V CB -0.361 31.175 31.823 -0.477 0.000 0.651 135 V HN 0.162 nan 8.190 nan 0.000 0.449 136 V N -1.585 118.212 119.914 -0.195 0.000 2.719 136 V HA -0.150 3.971 4.120 0.000 0.000 0.252 136 V C 2.045 178.040 176.094 -0.165 0.000 1.065 136 V CA 1.888 64.107 62.300 -0.135 0.000 1.086 136 V CB -0.076 31.708 31.823 -0.065 0.000 0.700 136 V HN 0.657 nan 8.190 nan 0.000 0.467 137 c N -1.390 117.036 118.600 -0.291 0.000 3.270 137 c HA 0.259 4.829 4.570 0.000 0.000 0.369 137 c C 1.817 175.726 174.090 -0.301 0.000 1.326 137 c CA -0.313 55.824 56.329 -0.320 0.000 1.846 137 c CB -0.028 42.169 42.510 -0.522 0.000 2.534 137 c HN 0.340 nan 8.230 nan 0.000 0.649 138 K N 0.476 120.681 120.400 -0.325 0.000 2.469 138 K HA 0.278 4.599 4.320 0.000 0.000 0.204 138 K C 1.181 177.690 176.600 -0.151 0.000 1.047 138 K CA 0.665 56.821 56.287 -0.219 0.000 1.072 138 K CB 0.423 32.786 32.500 -0.228 0.000 0.863 138 K HN 0.395 nan 8.250 nan 0.000 0.530 139 G N 1.576 110.286 108.800 -0.151 0.000 2.155 139 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 139 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 139 G C 0.146 174.978 174.900 -0.113 0.000 0.983 139 G CA 0.288 45.319 45.100 -0.115 0.000 0.676 139 G HN 0.242 nan 8.290 nan 0.000 0.528 140 E N 0.618 120.736 120.200 -0.137 0.000 2.391 140 E HA 0.486 4.837 4.350 0.000 0.000 0.255 140 E C 0.943 177.452 176.600 -0.152 0.000 1.187 140 E CA 0.535 56.859 56.400 -0.126 0.000 0.941 140 E CB 1.018 30.644 29.700 -0.123 0.000 1.010 140 E HN 0.596 nan 8.360 nan 0.000 0.458 141 S N 0.815 116.441 115.700 -0.123 0.000 2.565 141 S HA 0.310 4.780 4.470 0.000 0.000 0.290 141 S C 0.120 174.653 174.600 -0.112 0.000 1.150 141 S CA -0.870 57.260 58.200 -0.118 0.000 1.058 141 S CB 0.840 64.003 63.200 -0.062 0.000 1.032 141 S HN 0.354 nan 8.310 nan 0.000 0.510 142 H N 0.563 119.617 119.070 -0.027 0.000 3.016 142 H HA -0.059 4.497 4.556 -0.001 0.000 0.345 142 H C 0.700 176.046 175.328 0.031 0.000 1.066 142 H CA 0.747 56.799 56.048 0.007 0.000 1.390 142 H CB 0.247 30.010 29.762 0.001 0.000 1.344 142 H HN 1.026 nan 8.280 nan 0.000 0.605 143 W N 3.786 125.096 121.300 0.017 0.000 2.342 143 W HA -0.193 4.471 4.660 0.006 0.000 0.297 143 W C 1.993 178.487 176.519 -0.041 0.000 1.213 143 W CA 1.585 58.900 57.345 -0.050 0.000 1.251 143 W CB -0.426 28.982 29.460 -0.086 0.000 1.136 143 W HN 0.403 nan 8.180 nan 0.000 0.526 144 V N 1.310 121.220 119.914 -0.007 0.000 2.490 144 V HA -0.244 3.876 4.120 0.000 0.000 0.250 144 V C 1.572 177.487 176.094 -0.298 0.000 1.061 144 V CA 2.636 64.768 62.300 -0.280 0.000 1.064 144 V CB -0.569 31.209 31.823 -0.076 0.000 0.670 144 V HN 0.100 nan 8.190 nan 0.000 0.461 145 D N -0.308 120.000 120.400 -0.152 0.000 2.347 145 D HA 0.017 4.657 4.640 0.000 0.000 0.213 145 D C 0.331 176.537 176.300 -0.157 0.000 0.985 145 D CA 0.303 54.231 54.000 -0.120 0.000 0.879 145 D CB -0.074 40.708 40.800 -0.030 0.000 0.919 145 D HN 0.509 nan 8.370 nan 0.000 0.526 146 D N 1.745 122.006 120.400 -0.231 0.000 2.350 146 D HA 0.069 4.710 4.640 0.000 0.000 0.249 146 D C 0.133 176.293 176.300 -0.234 0.000 1.119 146 D CA -0.113 53.763 54.000 -0.207 0.000 0.886 146 D CB 0.916 41.596 40.800 -0.199 0.000 1.195 146 D HN -0.121 nan 8.370 nan 0.000 0.437 147 D N 0.446 120.767 120.400 -0.132 0.000 2.449 147 D HA -0.061 4.579 4.640 0.000 0.000 0.236 147 D C 0.222 176.473 176.300 -0.082 0.000 1.149 147 D CA -0.062 53.879 54.000 -0.097 0.000 0.878 147 D CB 0.490 41.264 40.800 -0.044 0.000 1.198 147 D HN 0.262 nan 8.370 nan 0.000 0.446 148 c N 2.962 121.534 118.600 -0.047 0.000 2.648 148 c HA 0.240 4.810 4.570 0.000 0.000 0.419 148 c C 0.204 174.375 174.090 0.134 0.000 1.352 148 c CA -0.082 56.283 56.329 0.061 0.000 1.816 148 c CB -0.845 41.719 42.510 0.091 0.000 2.598 148 c HN 0.585 nan 8.230 nan 0.000 0.598 149 E N 4.022 124.317 120.200 0.158 0.000 2.263 149 E HA 0.237 4.587 4.350 0.000 0.000 0.268 149 E C -0.868 175.711 176.600 -0.034 0.000 0.884 149 E CA -0.367 56.068 56.400 0.058 0.000 0.766 149 E CB 1.202 30.914 29.700 0.020 0.000 1.196 149 E HN 0.881 nan 8.360 nan 0.000 0.416 150 E N 4.328 124.282 120.200 -0.411 0.000 2.529 150 E HA -0.017 4.334 4.350 0.000 0.000 0.259 150 E C -0.555 175.878 176.600 -0.278 0.000 0.966 150 E CA 0.210 56.188 56.400 -0.702 0.000 0.937 150 E CB 0.488 29.501 29.700 -1.144 0.000 0.923 150 E HN 0.427 nan 8.360 nan 0.000 0.468 151 I N 6.076 126.538 120.570 -0.179 0.000 2.310 151 I HA 0.182 4.352 4.170 0.000 0.000 0.287 151 I C 1.269 177.322 176.117 -0.106 0.000 1.073 151 I CA -0.320 60.907 61.300 -0.123 0.000 1.216 151 I CB 0.788 38.719 38.000 -0.114 0.000 1.415 151 I HN 0.537 nan 8.210 nan 0.000 0.480 152 R N 3.511 123.948 120.500 -0.104 0.000 2.119 152 R HA 0.087 4.427 4.340 0.000 0.000 0.222 152 R C 0.360 176.627 176.300 -0.054 0.000 1.088 152 R CA 0.746 56.799 56.100 -0.079 0.000 0.984 152 R CB 0.434 30.686 30.300 -0.081 0.000 0.884 152 R HN 0.609 nan 8.270 nan 0.000 0.447 153 V N -2.760 117.122 119.914 -0.053 0.000 3.114 153 V HA 0.528 4.648 4.120 0.000 0.000 0.308 153 V C -2.894 173.175 176.094 -0.043 0.000 1.168 153 V CA -3.196 59.080 62.300 -0.040 0.000 1.015 153 V CB 2.138 33.942 31.823 -0.031 0.000 1.050 153 V HN -0.172 nan 8.190 nan 0.000 0.433 154 P HA 0.298 nan 4.420 nan 0.000 0.268 154 P C -0.735 176.539 177.300 -0.042 0.000 1.204 154 P CA 0.317 63.397 63.100 -0.034 0.000 0.768 154 P CB 0.226 31.921 31.700 -0.009 0.000 0.842 155 E N 1.913 122.071 120.200 -0.069 0.000 2.267 155 E HA 0.289 4.640 4.350 0.000 0.000 0.241 155 E C -0.886 175.652 176.600 -0.104 0.000 0.950 155 E CA -0.393 55.962 56.400 -0.077 0.000 0.776 155 E CB 0.187 29.830 29.700 -0.095 0.000 1.207 155 E HN 0.402 nan 8.360 nan 0.000 0.436 156 c N 2.578 121.127 118.600 -0.085 0.000 2.454 156 c HA 0.543 5.113 4.570 0.000 0.000 0.336 156 c C -1.800 172.233 174.090 -0.096 0.000 1.189 156 c CA -1.634 54.599 56.329 -0.160 0.000 1.877 156 c CB 0.730 43.180 42.510 -0.100 0.000 2.348 156 c HN 0.561 nan 8.230 nan 0.000 0.508 157 P HA 0.321 nan 4.420 nan 0.000 0.274 157 P C -0.644 176.764 177.300 0.180 0.000 1.260 157 P CA -0.186 62.921 63.100 0.013 0.000 0.793 157 P CB 0.292 31.996 31.700 0.008 0.000 1.048 158 A N 0.510 123.427 122.820 0.161 0.000 2.546 158 A HA 0.416 4.737 4.320 0.000 0.000 0.243 158 A C 1.395 179.113 177.584 0.222 0.000 1.063 158 A CA 0.862 52.993 52.037 0.158 0.000 0.757 158 A CB -1.431 17.631 19.000 0.104 0.000 0.991 158 A HN 0.878 nan 8.150 nan 0.000 0.503 159 G N 1.320 110.221 108.800 0.169 0.000 2.259 159 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 159 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 159 G C 0.075 174.992 174.900 0.028 0.000 1.001 159 G CA 0.029 45.179 45.100 0.082 0.000 0.627 159 G HN 0.685 nan 8.290 nan 0.000 0.501 160 F N 1.217 121.193 119.950 0.044 0.000 2.445 160 F HA 0.472 5.001 4.527 0.003 0.000 0.359 160 F C 1.594 177.417 175.800 0.038 0.000 1.101 160 F CA -0.059 57.970 58.000 0.048 0.000 1.177 160 F CB 1.791 40.823 39.000 0.053 0.000 1.110 160 F HN -0.070 nan 8.300 nan 0.000 0.522 161 V N 2.212 122.210 119.914 0.139 0.000 3.431 161 V HA 0.301 4.422 4.120 0.000 0.000 0.253 161 V C 0.915 177.069 176.094 0.100 0.000 1.184 161 V CA 0.738 63.093 62.300 0.092 0.000 1.104 161 V CB -0.686 31.162 31.823 0.041 0.000 0.799 161 V HN 0.683 nan 8.190 nan 0.000 0.462 162 R N 0.106 120.688 120.500 0.137 0.000 2.707 162 R HA 0.716 5.056 4.340 0.000 0.000 0.272 162 R C -3.281 173.126 176.300 0.178 0.000 1.011 162 R CA -1.677 54.495 56.100 0.120 0.000 0.893 162 R CB -0.341 30.009 30.300 0.083 0.000 1.233 162 R HN 0.097 nan 8.270 nan 0.000 0.464 163 P HA 0.254 nan 4.420 nan 0.000 0.266 163 P C -2.437 174.976 177.300 0.188 0.000 1.215 163 P CA -0.918 62.266 63.100 0.141 0.000 0.763 163 P CB 0.408 32.153 31.700 0.075 0.000 0.806 164 P HA 0.077 nan 4.420 nan 0.000 0.269 164 P C -0.817 176.644 177.300 0.269 0.000 1.217 164 P CA -0.074 63.217 63.100 0.317 0.000 0.783 164 P CB 0.378 32.336 31.700 0.429 0.000 0.898 165 L N 2.793 124.199 121.223 0.306 0.000 2.333 165 L HA 0.519 4.859 4.340 0.000 0.000 0.280 165 L C -1.131 175.953 176.870 0.358 0.000 1.004 165 L CA -0.186 54.825 54.840 0.286 0.000 0.820 165 L CB 0.620 42.823 42.059 0.240 0.000 1.247 165 L HN 0.214 nan 8.230 nan 0.000 0.416 166 I N 6.494 127.247 120.570 0.305 0.000 2.389 166 I HA 0.382 4.552 4.170 0.000 0.000 0.288 166 I C -0.678 175.601 176.117 0.269 0.000 0.999 166 I CA -0.492 60.985 61.300 0.295 0.000 1.129 166 I CB 1.661 39.784 38.000 0.206 0.000 1.288 166 I HN 0.524 nan 8.210 nan 0.000 0.444 167 I N 6.280 126.993 120.570 0.239 0.000 2.312 167 I HA 0.233 4.403 4.170 0.000 0.000 0.290 167 I C -0.684 175.576 176.117 0.239 0.000 1.008 167 I CA -0.369 61.069 61.300 0.229 0.000 1.226 167 I CB 1.031 39.146 38.000 0.191 0.000 1.371 167 I HN 0.407 nan 8.210 nan 0.000 0.468 168 F N 7.125 127.137 119.950 0.102 0.000 2.325 168 F HA 0.413 4.942 4.527 0.002 0.000 0.369 168 F C 0.358 176.138 175.800 -0.034 0.000 1.095 168 F CA -0.655 57.413 58.000 0.112 0.000 1.082 168 F CB 0.858 39.909 39.000 0.085 0.000 1.289 168 F HN 0.449 nan 8.300 nan 0.000 0.462 169 S N 5.384 121.094 115.700 0.017 0.000 2.489 169 S HA 0.807 5.277 4.470 0.000 0.000 0.291 169 S C -0.690 173.830 174.600 -0.134 0.000 1.151 169 S CA -0.600 57.585 58.200 -0.026 0.000 1.082 169 S CB 1.426 64.686 63.200 0.099 0.000 1.019 169 S HN 0.660 nan 8.310 nan 0.000 0.492 170 V N -0.235 119.575 119.914 -0.173 0.000 2.604 170 V HA 0.589 4.709 4.120 0.000 0.000 0.305 170 V C -0.560 175.497 176.094 -0.061 0.000 1.043 170 V CA -0.890 61.339 62.300 -0.119 0.000 0.888 170 V CB 1.675 33.489 31.823 -0.015 0.000 0.995 170 V HN 0.911 nan 8.190 nan 0.000 0.429 171 D N 3.044 123.398 120.400 -0.077 0.000 2.249 171 D HA 0.473 5.113 4.640 0.000 0.000 0.246 171 D C 1.170 177.421 176.300 -0.083 0.000 1.114 171 D CA 1.326 55.300 54.000 -0.044 0.000 0.854 171 D CB 1.454 42.304 40.800 0.083 0.000 1.132 171 D HN 1.426 nan 8.370 nan 0.000 0.461 172 G N 3.676 112.226 108.800 -0.416 0.000 2.160 172 G HA2 -0.305 3.655 3.960 0.000 0.000 0.251 172 G HA3 -0.305 3.655 3.960 0.000 0.000 0.251 172 G C 0.248 175.127 174.900 -0.034 0.000 1.008 172 G CA -0.094 44.814 45.100 -0.320 0.000 0.724 172 G HN 0.484 nan 8.290 nan 0.000 0.514 173 F N 2.400 122.280 119.950 -0.116 0.000 2.509 173 F HA 0.476 5.003 4.527 0.001 0.000 0.350 173 F C 1.214 176.913 175.800 -0.169 0.000 1.220 173 F CA -1.032 56.980 58.000 0.020 0.000 1.151 173 F CB 0.204 39.237 39.000 0.055 0.000 1.379 173 F HN 0.244 nan 8.300 nan 0.000 0.610 174 R N 3.619 123.820 120.500 -0.498 0.000 2.623 174 R HA 0.209 4.550 4.340 0.000 0.000 0.271 174 R C 1.344 177.498 176.300 -0.243 0.000 1.043 174 R CA 0.523 56.285 56.100 -0.563 0.000 1.083 174 R CB 0.917 30.541 30.300 -1.126 0.000 0.974 174 R HN 0.808 nan 8.270 nan 0.000 0.436 175 A N 2.630 125.431 122.820 -0.033 0.000 1.940 175 A HA -0.209 4.111 4.320 0.000 0.000 0.219 175 A C 1.975 179.640 177.584 0.135 0.000 1.176 175 A CA 2.060 54.182 52.037 0.141 0.000 0.631 175 A CB -0.637 18.460 19.000 0.162 0.000 0.814 175 A HN 0.889 nan 8.150 nan 0.000 0.446 176 S N -1.681 114.018 115.700 -0.002 0.000 2.515 176 S HA -0.105 4.366 4.470 0.000 0.000 0.231 176 S C 1.643 176.340 174.600 0.163 0.000 0.987 176 S CA 0.891 59.137 58.200 0.077 0.000 0.936 176 S CB -0.686 62.553 63.200 0.065 0.000 0.766 176 S HN 0.515 nan 8.310 nan 0.000 0.528 177 Y N 1.759 122.081 120.300 0.037 0.000 2.333 177 Y HA 0.115 4.665 4.550 -0.000 0.000 0.290 177 Y C 2.446 178.405 175.900 0.099 0.000 1.144 177 Y CA -0.074 57.994 58.100 -0.053 0.000 1.228 177 Y CB -0.834 37.369 38.460 -0.428 0.000 0.985 177 Y HN 0.251 nan 8.280 nan 0.000 0.542 178 M N 0.077 119.915 119.600 0.397 0.000 2.267 178 M HA -0.217 4.264 4.480 0.000 0.000 0.263 178 M C 1.778 178.181 176.300 0.171 0.000 1.063 178 M CA 1.363 56.847 55.300 0.306 0.000 1.090 178 M CB -0.946 31.811 32.600 0.263 0.000 1.392 178 M HN 0.224 nan 8.290 nan 0.000 0.422 179 K N 0.247 120.745 120.400 0.164 0.000 2.280 179 K HA -0.140 4.180 4.320 0.000 0.000 0.202 179 K C 1.836 178.488 176.600 0.086 0.000 1.047 179 K CA 0.912 57.268 56.287 0.115 0.000 0.942 179 K CB -0.097 32.478 32.500 0.125 0.000 0.739 179 K HN 0.395 nan 8.250 nan 0.000 0.457 180 K N 0.434 120.889 120.400 0.092 0.000 2.280 180 K HA -0.068 4.252 4.320 0.000 0.000 0.202 180 K C 1.100 177.714 176.600 0.024 0.000 1.047 180 K CA 0.585 56.901 56.287 0.048 0.000 0.942 180 K CB -0.230 32.284 32.500 0.023 0.000 0.739 180 K HN 0.331 nan 8.250 nan 0.000 0.457 181 G N 0.764 109.581 108.800 0.029 0.000 2.645 181 G HA2 -0.348 3.612 3.960 0.000 0.000 0.246 181 G HA3 -0.348 3.612 3.960 0.000 0.000 0.246 181 G C 0.655 175.539 174.900 -0.028 0.000 1.322 181 G CA 0.214 45.311 45.100 -0.005 0.000 0.898 181 G HN 0.287 nan 8.290 nan 0.000 0.573 182 S N -0.534 115.138 115.700 -0.047 0.000 2.507 182 S HA 0.016 4.487 4.470 0.000 0.000 0.235 182 S C 1.839 176.408 174.600 -0.053 0.000 0.988 182 S CA 1.649 59.812 58.200 -0.062 0.000 0.944 182 S CB -0.003 63.153 63.200 -0.075 0.000 0.762 182 S HN 0.737 nan 8.310 nan 0.000 0.526 183 K N 0.507 120.883 120.400 -0.039 0.000 2.148 183 K HA 0.052 4.372 4.320 0.000 0.000 0.204 183 K C 1.498 178.074 176.600 -0.040 0.000 1.050 183 K CA 1.323 57.588 56.287 -0.037 0.000 0.942 183 K CB -0.061 32.422 32.500 -0.027 0.000 0.724 183 K HN 0.343 nan 8.250 nan 0.000 0.446 184 V N -0.187 119.704 119.914 -0.037 0.000 3.212 184 V HA 0.113 4.234 4.120 0.000 0.000 0.244 184 V C 0.824 176.894 176.094 -0.041 0.000 1.151 184 V CA 0.530 62.805 62.300 -0.041 0.000 1.119 184 V CB 0.279 32.078 31.823 -0.041 0.000 0.838 184 V HN 0.196 nan 8.190 nan 0.000 0.470 185 M N 1.274 120.849 119.600 -0.041 0.000 2.720 185 M HA 0.297 4.777 4.480 0.000 0.000 0.250 185 M C -2.165 174.082 176.300 -0.089 0.000 1.280 185 M CA -1.234 54.033 55.300 -0.054 0.000 0.579 185 M CB 2.175 34.767 32.600 -0.014 0.000 1.469 185 M HN 0.011 nan 8.290 nan 0.000 0.416 186 P HA -0.129 nan 4.420 nan 0.000 0.216 186 P C 0.717 177.951 177.300 -0.110 0.000 1.153 186 P CA 1.548 64.586 63.100 -0.102 0.000 0.848 186 P CB 0.063 31.703 31.700 -0.100 0.000 0.787 187 N N 0.091 118.737 118.700 -0.090 0.000 2.084 187 N HA -0.087 4.653 4.740 0.000 0.000 0.190 187 N C 2.032 177.468 175.510 -0.123 0.000 1.030 187 N CA 1.133 54.179 53.050 -0.008 0.000 0.849 187 N CB -0.529 37.931 38.487 -0.046 0.000 1.012 187 N HN 0.192 nan 8.380 nan 0.000 0.423 188 I N 1.217 121.614 120.570 -0.288 0.000 2.286 188 I HA -0.216 3.954 4.170 0.000 0.000 0.248 188 I C 2.443 178.359 176.117 -0.334 0.000 1.115 188 I CA 0.938 61.943 61.300 -0.492 0.000 1.392 188 I CB -0.127 37.505 38.000 -0.614 0.000 1.065 188 I HN 0.062 nan 8.210 nan 0.000 0.418 189 E N 1.555 121.627 120.200 -0.212 0.000 2.153 189 E HA -0.268 4.082 4.350 0.000 0.000 0.194 189 E C 2.055 178.557 176.600 -0.164 0.000 0.988 189 E CA 1.513 57.812 56.400 -0.168 0.000 0.811 189 E CB -0.126 29.500 29.700 -0.123 0.000 0.746 189 E HN 0.320 nan 8.360 nan 0.000 0.466 190 K N -0.126 120.180 120.400 -0.156 0.000 2.025 190 K HA -0.087 4.233 4.320 0.000 0.000 0.207 190 K C 2.176 178.730 176.600 -0.076 0.000 1.049 190 K CA 1.255 57.445 56.287 -0.161 0.000 0.933 190 K CB -0.206 32.088 32.500 -0.343 0.000 0.714 190 K HN 0.190 nan 8.250 nan 0.000 0.438 191 L N 0.744 121.914 121.223 -0.088 0.000 2.012 191 L HA -0.210 4.130 4.340 0.000 0.000 0.210 191 L C 2.944 179.773 176.870 -0.068 0.000 1.073 191 L CA 1.514 56.263 54.840 -0.153 0.000 0.748 191 L CB -0.498 41.350 42.059 -0.351 0.000 0.891 191 L HN 0.297 nan 8.230 nan 0.000 0.431 192 R N 0.141 120.538 120.500 -0.172 0.000 2.066 192 R HA -0.159 4.181 4.340 0.000 0.000 0.232 192 R C 2.581 178.760 176.300 -0.202 0.000 1.131 192 R CA 1.935 57.917 56.100 -0.197 0.000 0.955 192 R CB -0.152 29.989 30.300 -0.266 0.000 0.851 192 R HN 0.470 nan 8.270 nan 0.000 0.432 193 S N -0.776 114.816 115.700 -0.180 0.000 2.406 193 S HA -0.127 4.343 4.470 0.000 0.000 0.228 193 S C 2.301 176.836 174.600 -0.108 0.000 1.020 193 S CA 0.883 58.983 58.200 -0.166 0.000 0.965 193 S CB -0.583 62.529 63.200 -0.145 0.000 0.798 193 S HN 0.520 nan 8.310 nan 0.000 0.488 194 c N 1.678 120.266 118.600 -0.021 0.000 2.504 194 c HA 0.462 5.032 4.570 0.000 0.000 0.279 194 c C 1.957 176.086 174.090 0.066 0.000 1.358 194 c CA 0.170 56.515 56.329 0.027 0.000 1.747 194 c CB -1.443 41.222 42.510 0.259 0.000 2.037 194 c HN 0.687 nan 8.230 nan 0.000 0.503 195 G N -0.256 108.654 108.800 0.183 0.000 2.829 195 G HA2 0.432 4.392 3.960 0.000 0.000 0.173 195 G HA3 0.432 4.392 3.960 0.000 0.000 0.173 195 G C -0.732 174.226 174.900 0.096 0.000 1.476 195 G CA 0.189 45.377 45.100 0.146 0.000 1.072 195 G HN 0.350 nan 8.290 nan 0.000 0.577 196 T N 0.855 115.449 114.554 0.067 0.000 2.771 196 T HA 0.530 4.880 4.350 0.000 0.000 0.281 196 T C -0.712 174.074 174.700 0.143 0.000 0.982 196 T CA -0.292 61.881 62.100 0.122 0.000 0.978 196 T CB 0.903 69.865 68.868 0.156 0.000 0.930 196 T HN 0.701 nan 8.240 nan 0.000 0.447 197 H N 0.465 119.590 119.070 0.091 0.000 2.851 197 H HA 0.797 5.353 4.556 -0.001 0.000 0.372 197 H C -1.349 174.114 175.328 0.225 0.000 1.158 197 H CA -1.162 54.961 56.048 0.126 0.000 1.159 197 H CB 1.364 31.150 29.762 0.040 0.000 1.757 197 H HN 0.657 nan 8.280 nan 0.000 0.546 198 A N 3.074 126.014 122.820 0.201 0.000 2.306 198 A HA 0.461 4.781 4.320 0.000 0.000 0.330 198 A C -1.702 175.910 177.584 0.047 0.000 1.146 198 A CA -1.807 50.254 52.037 0.041 0.000 0.827 198 A CB 0.868 19.936 19.000 0.113 0.000 1.178 198 A HN 0.673 nan 8.150 nan 0.000 0.490 199 P HA -0.041 nan 4.420 nan 0.000 0.220 199 P C -0.375 177.078 177.300 0.255 0.000 1.148 199 P CA 1.716 64.897 63.100 0.135 0.000 0.803 199 P CB -0.245 31.506 31.700 0.085 0.000 0.782 200 Y N -4.214 116.119 120.300 0.055 0.000 2.702 200 Y HA 0.648 5.199 4.550 0.001 0.000 0.336 200 Y C -1.131 174.698 175.900 -0.118 0.000 1.203 200 Y CA -1.734 56.374 58.100 0.014 0.000 1.072 200 Y CB 0.464 38.940 38.460 0.026 0.000 1.327 200 Y HN -0.270 nan 8.280 nan 0.000 0.456 201 M N 2.870 122.493 119.600 0.039 0.000 2.393 201 M HA 0.538 5.018 4.480 0.000 0.000 0.316 201 M C -1.137 175.179 176.300 0.027 0.000 1.087 201 M CA -0.876 54.282 55.300 -0.237 0.000 0.937 201 M CB 2.050 34.454 32.600 -0.327 0.000 1.668 201 M HN 0.915 nan 8.290 nan 0.000 0.438 202 R N 6.033 126.541 120.500 0.013 0.000 2.265 202 R HA 0.510 4.851 4.340 0.000 0.000 0.314 202 R C -2.544 173.818 176.300 0.105 0.000 1.053 202 R CA -1.322 54.847 56.100 0.116 0.000 0.931 202 R CB 0.894 31.272 30.300 0.131 0.000 1.024 202 R HN 0.383 nan 8.270 nan 0.000 0.457 203 P HA 0.065 nan 4.420 nan 0.000 0.289 203 P C -0.591 176.821 177.300 0.187 0.000 1.299 203 P CA -0.402 62.795 63.100 0.162 0.000 0.766 203 P CB 0.678 32.490 31.700 0.187 0.000 1.226 204 V N -2.909 117.128 119.914 0.205 0.000 2.973 204 V HA 0.422 4.542 4.120 0.000 0.000 0.314 204 V C -0.250 175.966 176.094 0.205 0.000 1.066 204 V CA -1.052 61.389 62.300 0.235 0.000 1.021 204 V CB 0.649 32.633 31.823 0.268 0.000 1.076 204 V HN 0.470 nan 8.190 nan 0.000 0.462 205 Y N 3.963 124.292 120.300 0.047 0.000 2.299 205 Y HA 0.605 5.155 4.550 0.000 0.000 0.326 205 Y C -2.155 173.621 175.900 -0.206 0.000 1.164 205 Y CA -2.176 55.869 58.100 -0.092 0.000 1.234 205 Y CB 1.732 40.086 38.460 -0.176 0.000 1.219 205 Y HN 0.579 nan 8.280 nan 0.000 0.497 206 P HA 0.042 nan 4.420 nan 0.000 0.275 206 P C -0.595 176.504 177.300 -0.335 0.000 1.228 206 P CA -0.299 62.110 63.100 -1.150 0.000 0.786 206 P CB 0.777 31.899 31.700 -0.963 0.000 0.927 207 T N -0.221 114.231 114.554 -0.170 0.000 4.309 207 T HA 0.231 4.581 4.350 0.000 0.000 0.242 207 T C 0.306 174.989 174.700 -0.027 0.000 1.142 207 T CA -0.348 61.766 62.100 0.023 0.000 1.042 207 T CB -0.693 68.255 68.868 0.134 0.000 1.366 207 T HN 0.228 nan 8.240 nan 0.000 0.942 208 K N 0.249 120.653 120.400 0.007 0.000 2.346 208 K HA 0.441 4.761 4.320 0.000 0.000 0.238 208 K C 0.951 177.722 176.600 0.286 0.000 1.039 208 K CA -0.937 55.402 56.287 0.087 0.000 0.861 208 K CB 1.346 33.870 32.500 0.040 0.000 1.278 208 K HN 0.014 nan 8.250 nan 0.000 0.460 209 T N 0.714 115.517 114.554 0.415 0.000 2.643 209 T HA -0.104 4.247 4.350 0.000 0.000 0.264 209 T C 1.732 176.645 174.700 0.355 0.000 1.045 209 T CA 1.585 63.950 62.100 0.442 0.000 1.155 209 T CB -0.294 68.854 68.868 0.466 0.000 0.863 209 T HN 0.347 nan 8.240 nan 0.000 0.420 210 F N 1.562 121.625 119.950 0.188 0.000 2.069 210 F HA -0.001 4.526 4.527 0.001 0.000 0.298 210 F C -0.549 175.366 175.800 0.191 0.000 1.113 210 F CA 0.902 59.008 58.000 0.178 0.000 1.214 210 F CB -1.700 37.386 39.000 0.143 0.000 0.978 210 F HN 0.199 nan 8.300 nan 0.000 0.474 211 P HA -0.131 nan 4.420 nan 0.000 0.217 211 P C 1.226 178.739 177.300 0.355 0.000 1.150 211 P CA 1.531 64.850 63.100 0.364 0.000 0.832 211 P CB -0.015 31.829 31.700 0.241 0.000 0.787 212 N N -0.911 117.959 118.700 0.284 0.000 2.250 212 N HA 0.000 4.740 4.740 0.000 0.000 0.181 212 N C 1.746 177.383 175.510 0.212 0.000 1.017 212 N CA 0.912 54.112 53.050 0.251 0.000 0.866 212 N CB -0.431 38.206 38.487 0.250 0.000 0.985 212 N HN 0.164 nan 8.380 nan 0.000 0.429 213 L N -0.265 121.073 121.223 0.190 0.000 2.046 213 L HA -0.177 4.163 4.340 0.000 0.000 0.208 213 L C 2.285 179.278 176.870 0.206 0.000 1.077 213 L CA 1.186 56.119 54.840 0.156 0.000 0.747 213 L CB -0.513 41.573 42.059 0.045 0.000 0.896 213 L HN 0.207 nan 8.230 nan 0.000 0.432 214 Y N 0.255 120.570 120.300 0.025 0.000 2.314 214 Y HA -0.236 4.314 4.550 0.001 0.000 0.293 214 Y C 2.700 178.482 175.900 -0.198 0.000 1.129 214 Y CA 1.362 59.400 58.100 -0.104 0.000 1.201 214 Y CB 0.137 38.461 38.460 -0.227 0.000 0.999 214 Y HN 0.083 nan 8.280 nan 0.000 0.541 215 T N 0.989 115.545 114.554 0.003 0.000 2.708 215 T HA -0.223 4.127 4.350 0.000 0.000 0.266 215 T C 1.870 176.571 174.700 0.002 0.000 1.037 215 T CA 1.737 63.887 62.100 0.083 0.000 1.146 215 T CB -0.514 68.502 68.868 0.248 0.000 0.865 215 T HN 0.279 nan 8.240 nan 0.000 0.435 216 L N 0.714 121.986 121.223 0.083 0.000 2.043 216 L HA -0.183 4.157 4.340 0.000 0.000 0.212 216 L C 2.862 179.794 176.870 0.103 0.000 1.075 216 L CA 1.490 56.404 54.840 0.122 0.000 0.752 216 L CB -0.540 41.626 42.059 0.178 0.000 0.891 216 L HN 0.245 nan 8.230 nan 0.000 0.432 217 A N -1.011 121.831 122.820 0.038 0.000 2.119 217 A HA -0.100 4.220 4.320 0.000 0.000 0.216 217 A C 2.158 179.567 177.584 -0.291 0.000 1.152 217 A CA 1.720 53.755 52.037 -0.003 0.000 0.708 217 A CB -0.480 18.567 19.000 0.079 0.000 0.805 217 A HN 0.534 nan 8.150 nan 0.000 0.460 218 T N -6.456 107.785 114.554 -0.521 0.000 2.958 218 T HA 0.416 4.766 4.350 0.000 0.000 0.256 218 T C 1.401 175.505 174.700 -0.994 0.000 0.983 218 T CA 1.083 62.634 62.100 -0.915 0.000 0.924 218 T CB 0.184 68.541 68.868 -0.852 0.000 1.136 218 T HN 1.590 nan 8.240 nan 0.000 0.506 219 G N 1.656 110.168 108.800 -0.479 0.000 2.155 219 G HA2 -0.210 3.751 3.960 0.000 0.000 0.257 219 G HA3 -0.210 3.751 3.960 0.000 0.000 0.257 219 G C -0.136 174.560 174.900 -0.340 0.000 0.983 219 G CA 0.528 45.444 45.100 -0.307 0.000 0.676 219 G HN 0.657 nan 8.290 nan 0.000 0.528 220 L N -0.553 120.498 121.223 -0.286 0.000 2.334 220 L HA 0.626 4.966 4.340 0.000 0.000 0.273 220 L C 0.624 177.391 176.870 -0.172 0.000 1.013 220 L CA -1.700 52.988 54.840 -0.253 0.000 0.816 220 L CB 0.954 42.932 42.059 -0.135 0.000 1.278 220 L HN 0.055 nan 8.230 nan 0.000 0.431 221 Y N 1.910 122.149 120.300 -0.100 0.000 2.578 221 Y HA 0.039 4.589 4.550 0.001 0.000 0.339 221 Y C -1.390 174.286 175.900 -0.373 0.000 1.231 221 Y CA -1.574 56.457 58.100 -0.116 0.000 1.461 221 Y CB -0.221 38.192 38.460 -0.079 0.000 1.323 221 Y HN 0.437 nan 8.280 nan 0.000 0.590 222 P HA -0.240 nan 4.420 nan 0.000 0.217 222 P C 1.066 178.150 177.300 -0.361 0.000 1.151 222 P CA 2.273 64.959 63.100 -0.689 0.000 0.849 222 P CB 0.101 31.784 31.700 -0.028 0.000 0.787 223 E N -1.314 118.818 120.200 -0.113 0.000 2.268 223 E HA -0.090 4.260 4.350 0.000 0.000 0.195 223 E C 1.509 178.055 176.600 -0.089 0.000 0.995 223 E CA 1.187 57.521 56.400 -0.110 0.000 0.836 223 E CB -0.635 29.020 29.700 -0.075 0.000 0.763 223 E HN 0.134 nan 8.360 nan 0.000 0.491 224 S N 0.544 116.193 115.700 -0.084 0.000 2.412 224 S HA -0.042 4.428 4.470 0.000 0.000 0.223 224 S C 1.641 176.238 174.600 -0.005 0.000 1.048 224 S CA 0.673 58.845 58.200 -0.046 0.000 0.954 224 S CB -0.168 63.015 63.200 -0.028 0.000 0.840 224 S HN 0.667 nan 8.310 nan 0.000 0.503 225 H N 0.205 119.297 119.070 0.037 0.000 2.495 225 H HA 0.336 4.892 4.556 0.000 0.000 0.287 225 H C 1.448 176.862 175.328 0.144 0.000 1.033 225 H CA 1.122 57.231 56.048 0.101 0.000 1.307 225 H CB -0.662 29.156 29.762 0.094 0.000 1.401 225 H HN 0.402 nan 8.280 nan 0.000 0.555 226 G N 0.408 109.308 108.800 0.166 0.000 2.234 226 G HA2 -0.231 3.729 3.960 0.000 0.000 0.235 226 G HA3 -0.231 3.729 3.960 0.000 0.000 0.235 226 G C 0.135 175.036 174.900 0.002 0.000 0.997 226 G CA 0.114 45.253 45.100 0.066 0.000 0.623 226 G HN 0.317 nan 8.290 nan 0.000 0.514 227 I N 3.474 124.158 120.570 0.190 0.000 2.206 227 I HA 0.241 4.412 4.170 0.000 0.000 0.292 227 I C 1.955 178.106 176.117 0.056 0.000 1.156 227 I CA 0.118 61.361 61.300 -0.096 0.000 1.356 227 I CB 0.122 38.039 38.000 -0.138 0.000 1.494 227 I HN 0.336 nan 8.210 nan 0.000 0.601 228 V N 2.121 122.003 119.914 -0.052 0.000 3.541 228 V HA 0.527 4.648 4.120 0.000 0.000 0.267 228 V C 0.792 176.948 176.094 0.103 0.000 1.213 228 V CA 0.621 62.964 62.300 0.072 0.000 1.149 228 V CB -0.177 31.639 31.823 -0.012 0.000 0.822 228 V HN 0.589 nan 8.190 nan 0.000 0.462 229 G N -0.689 108.088 108.800 -0.040 0.000 2.608 229 G HA2 0.338 4.299 3.960 0.000 0.000 0.291 229 G HA3 0.338 4.299 3.960 0.000 0.000 0.291 229 G C -0.417 174.421 174.900 -0.104 0.000 1.425 229 G CA -0.193 44.878 45.100 -0.048 0.000 0.787 229 G HN -0.085 nan 8.290 nan 0.000 0.484 230 N N -0.403 118.257 118.700 -0.065 0.000 2.309 230 N HA 0.041 4.781 4.740 0.000 0.000 0.182 230 N C 0.527 175.939 175.510 -0.163 0.000 1.018 230 N CA 0.931 53.900 53.050 -0.136 0.000 0.876 230 N CB 0.191 38.636 38.487 -0.070 0.000 0.972 230 N HN 0.305 nan 8.380 nan 0.000 0.434 231 S N -0.032 115.598 115.700 -0.117 0.000 2.536 231 S HA 0.726 5.196 4.470 0.000 0.000 0.287 231 S C -0.448 174.060 174.600 -0.153 0.000 1.101 231 S CA -0.763 57.361 58.200 -0.126 0.000 0.950 231 S CB 2.046 65.212 63.200 -0.057 0.000 1.056 231 S HN 0.131 nan 8.310 nan 0.000 0.481 232 M N 1.802 121.284 119.600 -0.197 0.000 2.603 232 M HA 0.540 5.020 4.480 0.000 0.000 0.275 232 M C -1.963 174.355 176.300 0.031 0.000 1.226 232 M CA -1.014 54.227 55.300 -0.098 0.000 0.870 232 M CB 1.550 34.065 32.600 -0.141 0.000 1.716 232 M HN 0.563 nan 8.290 nan 0.000 0.482 233 Y N 1.081 121.378 120.300 -0.004 0.000 2.335 233 Y HA 0.517 5.067 4.550 0.000 0.000 0.338 233 Y C -1.345 174.612 175.900 0.095 0.000 0.977 233 Y CA -0.552 57.592 58.100 0.074 0.000 1.114 233 Y CB 1.183 39.649 38.460 0.009 0.000 1.182 233 Y HN 0.756 nan 8.280 nan 0.000 0.463 234 D N 8.708 128.862 120.400 -0.410 0.000 2.329 234 D HA 0.242 4.882 4.640 0.000 0.000 0.232 234 D C -2.060 173.663 176.300 -0.962 0.000 1.088 234 D CA -2.208 51.405 54.000 -0.644 0.000 0.835 234 D CB 2.343 42.616 40.800 -0.879 0.000 1.078 234 D HN 0.372 nan 8.370 nan 0.000 0.495 235 P HA -0.078 nan 4.420 nan 0.000 0.223 235 P C 1.474 178.610 177.300 -0.272 0.000 1.151 235 P CA 0.287 63.125 63.100 -0.436 0.000 0.787 235 P CB 0.708 32.333 31.700 -0.125 0.000 0.788 236 V N -0.844 118.864 119.914 -0.344 0.000 2.379 236 V HA -0.133 3.988 4.120 0.000 0.000 0.243 236 V C 2.318 178.374 176.094 -0.065 0.000 1.035 236 V CA 1.459 63.632 62.300 -0.211 0.000 1.035 236 V CB -1.388 30.285 31.823 -0.250 0.000 0.673 236 V HN -0.094 nan 8.190 nan 0.000 0.457 237 F N 0.338 120.129 119.950 -0.265 0.000 2.365 237 F HA 0.032 4.559 4.527 0.000 0.000 0.300 237 F C 1.420 177.135 175.800 -0.143 0.000 1.090 237 F CA 0.646 58.506 58.000 -0.234 0.000 1.408 237 F CB -1.138 37.645 39.000 -0.362 0.000 1.060 237 F HN 0.330 nan 8.300 nan 0.000 0.534 238 D N 0.129 120.513 120.400 -0.027 0.000 2.697 238 D HA -0.101 4.539 4.640 0.000 0.000 0.235 238 D C -0.328 176.087 176.300 0.192 0.000 1.167 238 D CA 0.769 54.800 54.000 0.051 0.000 0.656 238 D CB -0.851 40.034 40.800 0.142 0.000 1.025 238 D HN 0.411 nan 8.370 nan 0.000 0.419 239 A N 0.032 122.948 122.820 0.161 0.000 2.587 239 A HA 0.802 5.122 4.320 0.000 0.000 0.293 239 A C -0.295 177.590 177.584 0.502 0.000 1.087 239 A CA -0.404 51.854 52.037 0.368 0.000 0.692 239 A CB 1.977 21.222 19.000 0.408 0.000 1.291 239 A HN 0.141 nan 8.150 nan 0.000 0.407 240 T N 1.118 115.923 114.554 0.419 0.000 2.812 240 T HA 0.518 4.868 4.350 0.000 0.000 0.282 240 T C -1.050 173.596 174.700 -0.092 0.000 0.990 240 T CA -0.012 62.206 62.100 0.196 0.000 0.960 240 T CB 0.627 69.538 68.868 0.072 0.000 0.948 240 T HN 0.497 nan 8.240 nan 0.000 0.438 241 F N 4.583 124.133 119.950 -0.668 0.000 2.410 241 F HA 0.463 4.990 4.527 0.000 0.000 0.349 241 F C 0.059 175.379 175.800 -0.800 0.000 1.117 241 F CA -0.384 57.017 58.000 -0.997 0.000 1.104 241 F CB 0.507 38.471 39.000 -1.727 0.000 1.122 241 F HN 0.522 nan 8.300 nan 0.000 0.483 242 H N 5.725 124.436 119.070 -0.599 0.000 2.690 242 H HA 0.354 4.910 4.556 0.000 0.000 0.368 242 H C 1.070 176.005 175.328 -0.654 0.000 1.150 242 H CA 0.100 55.888 56.048 -0.434 0.000 1.174 242 H CB 1.795 31.397 29.762 -0.267 0.000 1.684 242 H HN 0.786 nan 8.280 nan 0.000 0.538 243 L N 1.592 122.584 121.223 -0.386 0.000 2.081 243 L HA -0.076 4.264 4.340 0.000 0.000 0.212 243 L C 1.606 178.325 176.870 -0.251 0.000 1.080 243 L CA 2.540 57.062 54.840 -0.529 0.000 0.754 243 L CB -1.660 40.225 42.059 -0.290 0.000 0.893 243 L HN 0.706 nan 8.230 nan 0.000 0.433 244 R N -0.824 119.583 120.500 -0.155 0.000 2.437 244 R HA 0.715 5.055 4.340 0.000 0.000 0.310 244 R C 0.413 176.660 176.300 -0.088 0.000 0.955 244 R CA 0.319 56.370 56.100 -0.083 0.000 0.851 244 R CB 0.246 30.515 30.300 -0.052 0.000 1.161 244 R HN 2.378 nan 8.270 nan 0.000 0.446 245 G N -1.112 107.664 108.800 -0.040 0.000 2.340 245 G HA2 0.453 4.414 3.960 0.000 0.000 0.527 245 G HA3 0.453 4.414 3.960 0.000 0.000 0.527 245 G C 0.449 175.380 174.900 0.052 0.000 1.381 245 G CA 0.396 45.488 45.100 -0.014 0.000 1.001 245 G HN 1.383 nan 8.290 nan 0.000 0.626 246 R N -0.322 120.229 120.500 0.085 0.000 2.127 246 R HA 0.299 4.640 4.340 0.000 0.000 0.217 246 R C 2.162 178.594 176.300 0.221 0.000 1.074 246 R CA 2.127 58.348 56.100 0.201 0.000 0.991 246 R CB -1.021 29.328 30.300 0.081 0.000 0.895 246 R HN 0.957 nan 8.270 nan 0.000 0.450 247 E N 2.084 122.326 120.200 0.069 0.000 2.171 247 E HA -0.245 4.106 4.350 0.000 0.000 0.197 247 E C 1.934 178.538 176.600 0.008 0.000 0.997 247 E CA 2.192 58.648 56.400 0.093 0.000 0.810 247 E CB -0.189 29.553 29.700 0.070 0.000 0.738 247 E HN 0.779 nan 8.360 nan 0.000 0.467 248 K N -0.863 119.295 120.400 -0.403 0.000 2.360 248 K HA -0.138 4.182 4.320 0.000 0.000 0.201 248 K C 1.490 178.124 176.600 0.055 0.000 1.046 248 K CA 1.370 57.286 56.287 -0.618 0.000 0.945 248 K CB -0.426 31.411 32.500 -1.104 0.000 0.750 248 K HN 0.137 nan 8.250 nan 0.000 0.464 249 F N 1.600 121.648 119.950 0.164 0.000 2.558 249 F HA 0.053 4.580 4.527 0.000 0.000 0.298 249 F C 0.998 177.051 175.800 0.422 0.000 1.119 249 F CA -0.249 57.882 58.000 0.219 0.000 1.451 249 F CB -0.307 38.684 39.000 -0.016 0.000 1.091 249 F HN 0.077 nan 8.300 nan 0.000 0.563 250 N N 0.804 119.862 118.700 0.596 0.000 2.483 250 N HA -0.088 4.652 4.740 0.000 0.000 0.264 250 N C 0.978 176.946 175.510 0.763 0.000 1.197 250 N CA 0.506 53.893 53.050 0.561 0.000 0.927 250 N CB 0.225 38.968 38.487 0.426 0.000 1.065 250 N HN 0.387 nan 8.380 nan 0.000 0.461 251 H N 2.760 122.065 119.070 0.392 0.000 2.546 251 H HA -0.056 4.501 4.556 0.001 0.000 0.277 251 H C 1.478 177.037 175.328 0.384 0.000 1.004 251 H CA 0.404 56.711 56.048 0.432 0.000 1.231 251 H CB 0.713 30.618 29.762 0.238 0.000 1.382 251 H HN 0.636 nan 8.280 nan 0.000 0.580 252 R N 0.487 121.158 120.500 0.284 0.000 2.193 252 R HA -0.156 4.184 4.340 0.000 0.000 0.229 252 R C 1.106 177.461 176.300 0.091 0.000 1.110 252 R CA 1.383 57.498 56.100 0.024 0.000 0.988 252 R CB -0.630 29.404 30.300 -0.444 0.000 0.871 252 R HN 0.327 nan 8.270 nan 0.000 0.458 253 W N 0.307 121.735 121.300 0.214 0.000 2.518 253 W HA 0.096 4.756 4.660 0.000 0.000 0.273 253 W C -0.016 176.361 176.519 -0.236 0.000 1.247 253 W CA -0.375 56.946 57.345 -0.040 0.000 1.288 253 W CB -0.029 29.265 29.460 -0.276 0.000 1.107 253 W HN 0.012 nan 8.180 nan 0.000 0.586 254 W N 1.387 122.834 121.300 0.245 0.000 2.311 254 W HA 0.560 5.220 4.660 0.000 0.000 0.317 254 W C 0.640 177.267 176.519 0.181 0.000 1.065 254 W CA -0.863 56.533 57.345 0.085 0.000 1.364 254 W CB 0.122 29.519 29.460 -0.104 0.000 1.233 254 W HN -0.259 nan 8.180 nan 0.000 0.409 255 G N 1.192 110.244 108.800 0.419 0.000 2.537 255 G HA2 0.628 4.588 3.960 0.000 0.000 0.297 255 G HA3 0.628 4.588 3.960 0.000 0.000 0.297 255 G C 0.539 175.586 174.900 0.246 0.000 1.310 255 G CA 0.037 45.309 45.100 0.286 0.000 1.027 255 G HN 0.923 nan 8.290 nan 0.000 0.505 256 G N -1.180 107.665 108.800 0.075 0.000 2.601 256 G HA2 -0.104 3.856 3.960 0.000 0.000 0.252 256 G HA3 -0.104 3.856 3.960 0.000 0.000 0.252 256 G C 0.018 174.843 174.900 -0.125 0.000 1.294 256 G CA 0.577 45.633 45.100 -0.073 0.000 0.912 256 G HN 1.043 nan 8.290 nan 0.000 0.574 257 Q N 0.591 120.223 119.800 -0.280 0.000 2.414 257 Q HA 0.478 4.819 4.340 0.000 0.000 0.256 257 Q C -2.547 173.155 176.000 -0.496 0.000 0.974 257 Q CA -1.859 53.763 55.803 -0.302 0.000 0.723 257 Q CB 2.403 31.023 28.738 -0.196 0.000 1.281 257 Q HN 0.574 nan 8.270 nan 0.000 0.470 258 P HA -0.035 nan 4.420 nan 0.000 0.272 258 P C 0.703 177.501 177.300 -0.837 0.000 1.230 258 P CA -0.380 62.113 63.100 -1.011 0.000 0.788 258 P CB 1.075 31.712 31.700 -1.771 0.000 0.949 259 L N 2.264 123.196 121.223 -0.486 0.000 2.051 259 L HA -0.163 4.177 4.340 0.000 0.000 0.214 259 L C 2.337 179.015 176.870 -0.319 0.000 1.076 259 L CA 2.038 56.770 54.840 -0.180 0.000 0.758 259 L CB -1.531 40.544 42.059 0.027 0.000 0.890 259 L HN 0.603 nan 8.230 nan 0.000 0.433 260 W N -1.421 119.562 121.300 -0.527 0.000 2.388 260 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 260 W C 1.973 178.334 176.519 -0.263 0.000 1.212 260 W CA 0.459 57.486 57.345 -0.530 0.000 1.271 260 W CB -0.910 28.087 29.460 -0.771 0.000 1.126 260 W HN -0.018 nan 8.180 nan 0.000 0.535 261 I N 1.486 121.748 120.570 -0.512 0.000 2.252 261 I HA -0.211 3.959 4.170 0.000 0.000 0.245 261 I C 2.266 178.279 176.117 -0.173 0.000 1.102 261 I CA 1.812 62.950 61.300 -0.272 0.000 1.385 261 I CB -1.872 35.927 38.000 -0.336 0.000 1.064 261 I HN 0.088 nan 8.210 nan 0.000 0.414 262 T N 1.566 116.005 114.554 -0.191 0.000 2.720 262 T HA -0.147 4.203 4.350 0.000 0.000 0.268 262 T C 2.076 176.725 174.700 -0.084 0.000 1.037 262 T CA 1.662 63.701 62.100 -0.101 0.000 1.144 262 T CB -0.308 68.527 68.868 -0.056 0.000 0.864 262 T HN 0.448 nan 8.240 nan 0.000 0.444 263 A N 1.357 124.125 122.820 -0.088 0.000 1.858 263 A HA -0.123 4.197 4.320 0.000 0.000 0.216 263 A C 2.594 180.152 177.584 -0.045 0.000 1.190 263 A CA 2.124 54.128 52.037 -0.055 0.000 0.617 263 A CB -1.331 17.649 19.000 -0.033 0.000 0.827 263 A HN 0.465 nan 8.150 nan 0.000 0.443 264 T N 0.142 114.669 114.554 -0.044 0.000 2.684 264 T HA -0.153 4.197 4.350 0.000 0.000 0.267 264 T C 1.882 176.562 174.700 -0.033 0.000 1.036 264 T CA 1.744 63.824 62.100 -0.034 0.000 1.148 264 T CB -0.252 68.605 68.868 -0.019 0.000 0.863 264 T HN 0.498 nan 8.240 nan 0.000 0.436 265 K N 0.791 121.168 120.400 -0.038 0.000 2.280 265 K HA -0.052 4.269 4.320 0.000 0.000 0.202 265 K C 1.793 178.377 176.600 -0.027 0.000 1.047 265 K CA 0.986 57.254 56.287 -0.031 0.000 0.942 265 K CB -0.034 32.445 32.500 -0.035 0.000 0.739 265 K HN 0.459 nan 8.250 nan 0.000 0.457 266 Q N -0.617 119.165 119.800 -0.030 0.000 2.189 266 Q HA 0.128 4.468 4.340 0.000 0.000 0.221 266 Q C 0.251 176.238 176.000 -0.022 0.000 0.848 266 Q CA 0.062 55.850 55.803 -0.024 0.000 1.007 266 Q CB 1.211 29.933 28.738 -0.026 0.000 1.116 266 Q HN 0.407 nan 8.270 nan 0.000 0.481 267 G N 0.576 109.362 108.800 -0.025 0.000 2.176 267 G HA2 -0.244 3.716 3.960 0.000 0.000 0.252 267 G HA3 -0.244 3.716 3.960 0.000 0.000 0.252 267 G C -0.060 174.824 174.900 -0.027 0.000 1.024 267 G CA 0.080 45.165 45.100 -0.025 0.000 0.755 267 G HN 0.254 nan 8.290 nan 0.000 0.507 268 V N 0.290 120.187 119.914 -0.029 0.000 2.417 268 V HA 0.541 4.661 4.120 0.000 0.000 0.291 268 V C 0.803 176.873 176.094 -0.041 0.000 1.024 268 V CA -0.894 61.389 62.300 -0.029 0.000 0.861 268 V CB 1.659 33.470 31.823 -0.019 0.000 0.985 268 V HN 0.490 nan 8.190 nan 0.000 0.436 269 R N 3.515 123.980 120.500 -0.057 0.000 2.340 269 R HA 0.662 5.002 4.340 0.000 0.000 0.300 269 R C -0.169 176.060 176.300 -0.119 0.000 1.069 269 R CA -0.079 55.966 56.100 -0.092 0.000 0.984 269 R CB 0.923 31.155 30.300 -0.113 0.000 1.003 269 R HN 0.851 nan 8.270 nan 0.000 0.459 270 A N 3.245 125.997 122.820 -0.114 0.000 2.317 270 A HA 0.592 4.912 4.320 0.000 0.000 0.327 270 A C 0.179 177.628 177.584 -0.226 0.000 1.178 270 A CA -0.427 51.562 52.037 -0.080 0.000 0.817 270 A CB 1.444 20.480 19.000 0.060 0.000 1.189 270 A HN 0.905 nan 8.150 nan 0.000 0.489 271 G N 0.017 108.613 108.800 -0.340 0.000 2.631 271 G HA2 0.409 4.370 3.960 0.000 0.000 0.271 271 G HA3 0.409 4.370 3.960 0.000 0.000 0.271 271 G C 0.445 175.230 174.900 -0.192 0.000 1.302 271 G CA 0.339 45.153 45.100 -0.478 0.000 1.002 271 G HN 0.845 nan 8.290 nan 0.000 0.519 272 T N -1.024 113.366 114.554 -0.273 0.000 2.926 272 T HA 0.211 4.561 4.350 0.000 0.000 0.307 272 T C 0.110 174.689 174.700 -0.201 0.000 1.059 272 T CA 0.086 62.034 62.100 -0.254 0.000 1.122 272 T CB -0.003 68.606 68.868 -0.432 0.000 0.972 272 T HN 0.233 nan 8.240 nan 0.000 0.545 273 F N 2.413 122.007 119.950 -0.593 0.000 2.654 273 F HA 0.408 4.936 4.527 0.001 0.000 0.303 273 F C 0.610 176.071 175.800 -0.566 0.000 1.099 273 F CA -0.567 57.108 58.000 -0.541 0.000 1.270 273 F CB 0.122 38.651 39.000 -0.786 0.000 1.024 273 F HN 0.590 nan 8.300 nan 0.000 0.548 274 F N -1.055 118.604 119.950 -0.485 0.000 2.556 274 F HA 0.730 5.258 4.527 0.000 0.000 0.314 274 F C -1.351 174.169 175.800 -0.467 0.000 1.106 274 F CA -1.646 56.127 58.000 -0.378 0.000 0.911 274 F CB 0.299 39.126 39.000 -0.289 0.000 1.190 274 F HN -0.001 nan 8.300 nan 0.000 0.448 275 W N 1.901 123.175 121.300 -0.044 0.000 2.739 275 W HA 0.569 5.229 4.660 0.000 0.000 0.331 275 W C 0.260 176.815 176.519 0.061 0.000 1.049 275 W CA -1.004 56.359 57.345 0.032 0.000 1.234 275 W CB 2.217 31.662 29.460 -0.025 0.000 1.404 275 W HN 0.881 nan 8.180 nan 0.000 0.477 276 S N 1.652 117.560 115.700 0.346 0.000 2.549 276 S HA 0.011 4.481 4.470 0.000 0.000 0.286 276 S C 1.258 176.006 174.600 0.247 0.000 1.314 276 S CA -0.057 58.297 58.200 0.257 0.000 1.062 276 S CB 0.732 64.081 63.200 0.248 0.000 0.865 276 S HN 0.750 nan 8.310 nan 0.000 0.498 277 V N 3.620 123.647 119.914 0.188 0.000 2.688 277 V HA -0.100 4.021 4.120 0.000 0.000 0.256 277 V C 2.026 178.196 176.094 0.128 0.000 1.084 277 V CA 2.170 64.564 62.300 0.157 0.000 1.103 277 V CB -1.548 30.353 31.823 0.130 0.000 0.688 277 V HN 0.957 nan 8.190 nan 0.000 0.480 278 S N 0.088 115.874 115.700 0.145 0.000 2.522 278 S HA 0.242 4.713 4.470 0.000 0.000 0.227 278 S C 0.799 175.486 174.600 0.144 0.000 0.986 278 S CA 0.133 58.409 58.200 0.127 0.000 0.929 278 S CB -0.834 62.450 63.200 0.139 0.000 0.769 278 S HN 0.623 nan 8.310 nan 0.000 0.529 279 I N 4.416 125.101 120.570 0.191 0.000 2.379 279 I HA 0.269 4.439 4.170 0.000 0.000 0.290 279 I C -2.197 173.947 176.117 0.046 0.000 1.063 279 I CA -2.430 58.982 61.300 0.187 0.000 1.351 279 I CB 0.738 38.933 38.000 0.325 0.000 1.410 279 I HN 0.089 nan 8.210 nan 0.000 0.505 280 P HA 0.043 nan 4.420 nan 0.000 0.272 280 P C 0.318 177.484 177.300 -0.223 0.000 1.223 280 P CA 0.096 63.104 63.100 -0.153 0.000 0.784 280 P CB 0.561 32.178 31.700 -0.138 0.000 0.923 281 H N 0.611 119.494 119.070 -0.310 0.000 2.353 281 H HA -0.182 4.375 4.556 0.000 0.000 0.298 281 H C 1.541 176.622 175.328 -0.412 0.000 1.103 281 H CA 1.346 57.238 56.048 -0.259 0.000 1.293 281 H CB 0.040 29.752 29.762 -0.084 0.000 1.372 281 H HN 0.523 nan 8.280 nan 0.000 0.501 282 E N 0.384 120.242 120.200 -0.570 0.000 2.118 282 E HA -0.175 4.175 4.350 0.000 0.000 0.195 282 E C 2.213 178.350 176.600 -0.771 0.000 0.992 282 E CA 0.834 56.717 56.400 -0.863 0.000 0.804 282 E CB 0.032 28.688 29.700 -1.740 0.000 0.741 282 E HN 0.203 nan 8.360 nan 0.000 0.458 283 R N 1.074 121.121 120.500 -0.754 0.000 2.090 283 R HA 0.035 4.375 4.340 0.000 0.000 0.228 283 R C 1.808 177.814 176.300 -0.489 0.000 1.110 283 R CA 1.306 57.156 56.100 -0.416 0.000 0.973 283 R CB -0.027 30.174 30.300 -0.166 0.000 0.869 283 R HN 0.056 nan 8.270 nan 0.000 0.440 284 R N -0.025 120.110 120.500 -0.608 0.000 2.081 284 R HA -0.058 4.283 4.340 0.000 0.000 0.235 284 R C 2.053 177.976 176.300 -0.628 0.000 1.131 284 R CA 1.476 56.958 56.100 -1.031 0.000 0.960 284 R CB -0.456 29.025 30.300 -1.364 0.000 0.856 284 R HN 0.184 nan 8.270 nan 0.000 0.436 285 I N 1.199 121.517 120.570 -0.420 0.000 2.179 285 I HA -0.233 3.937 4.170 0.000 0.000 0.242 285 I C 2.391 178.338 176.117 -0.282 0.000 1.088 285 I CA 1.446 62.548 61.300 -0.330 0.000 1.357 285 I CB -0.987 36.814 38.000 -0.332 0.000 1.051 285 I HN 0.187 nan 8.210 nan 0.000 0.409 286 L N 0.138 121.198 121.223 -0.273 0.000 2.079 286 L HA -0.229 4.111 4.340 0.000 0.000 0.210 286 L C 2.557 179.266 176.870 -0.268 0.000 1.081 286 L CA 1.498 56.221 54.840 -0.194 0.000 0.752 286 L CB -0.923 41.077 42.059 -0.099 0.000 0.896 286 L HN 0.251 nan 8.230 nan 0.000 0.433 287 T N 0.093 114.388 114.554 -0.433 0.000 2.708 287 T HA -0.153 4.197 4.350 0.000 0.000 0.266 287 T C 1.903 176.154 174.700 -0.748 0.000 1.037 287 T CA 1.381 63.062 62.100 -0.699 0.000 1.146 287 T CB -0.203 68.084 68.868 -0.967 0.000 0.865 287 T HN 0.193 nan 8.240 nan 0.000 0.435 288 I N 0.697 121.014 120.570 -0.421 0.000 2.226 288 I HA -0.149 4.021 4.170 0.000 0.000 0.245 288 I C 2.196 178.239 176.117 -0.123 0.000 1.100 288 I CA 1.218 62.443 61.300 -0.125 0.000 1.374 288 I CB -0.377 37.620 38.000 -0.004 0.000 1.057 288 I HN 0.194 nan 8.210 nan 0.000 0.413 289 L N -0.138 120.993 121.223 -0.153 0.000 2.093 289 L HA -0.229 4.111 4.340 0.000 0.000 0.208 289 L C 2.627 179.490 176.870 -0.011 0.000 1.085 289 L CA 1.127 55.915 54.840 -0.086 0.000 0.755 289 L CB -0.522 41.486 42.059 -0.084 0.000 0.904 289 L HN 0.254 nan 8.230 nan 0.000 0.435 290 Q N -0.354 119.416 119.800 -0.049 0.000 2.050 290 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 290 Q C 2.036 178.156 176.000 0.199 0.000 0.980 290 Q CA 1.884 57.705 55.803 0.029 0.000 0.840 290 Q CB -0.201 28.509 28.738 -0.046 0.000 0.898 290 Q HN 0.373 nan 8.270 nan 0.000 0.424 291 W N 0.250 121.639 121.300 0.147 0.000 2.342 291 W HA -0.094 4.566 4.660 -0.000 0.000 0.297 291 W C 1.789 178.440 176.519 0.219 0.000 1.213 291 W CA 0.689 58.167 57.345 0.221 0.000 1.251 291 W CB -0.863 28.825 29.460 0.380 0.000 1.136 291 W HN 0.240 nan 8.180 nan 0.000 0.526 292 L N 0.236 121.670 121.223 0.351 0.000 2.362 292 L HA -0.131 4.210 4.340 0.000 0.000 0.219 292 L C 1.853 178.891 176.870 0.280 0.000 1.134 292 L CA 0.922 55.926 54.840 0.274 0.000 0.807 292 L CB -0.553 41.564 42.059 0.097 0.000 0.927 292 L HN -0.191 nan 8.230 nan 0.000 0.447 293 S N -0.677 115.157 115.700 0.222 0.000 2.575 293 S HA 0.219 4.689 4.470 0.000 0.000 0.215 293 S C 0.800 175.499 174.600 0.166 0.000 0.966 293 S CA -0.250 58.060 58.200 0.184 0.000 0.911 293 S CB 0.030 63.310 63.200 0.134 0.000 0.780 293 S HN 0.160 nan 8.310 nan 0.000 0.514 294 L N 2.196 123.530 121.223 0.185 0.000 2.476 294 L HA 0.197 4.537 4.340 0.000 0.000 0.264 294 L C -2.158 174.761 176.870 0.081 0.000 1.224 294 L CA -1.915 53.012 54.840 0.144 0.000 0.821 294 L CB -0.256 41.901 42.059 0.164 0.000 1.101 294 L HN -0.036 nan 8.230 nan 0.000 0.488 295 P HA -0.035 nan 4.420 nan 0.000 0.266 295 P C -0.109 177.181 177.300 -0.017 0.000 1.193 295 P CA -0.111 63.004 63.100 0.024 0.000 0.770 295 P CB 0.403 32.118 31.700 0.024 0.000 0.836 296 D N 1.575 121.948 120.400 -0.045 0.000 2.172 296 D HA -0.192 4.448 4.640 0.000 0.000 0.196 296 D C 1.243 177.498 176.300 -0.074 0.000 0.999 296 D CA 1.534 55.475 54.000 -0.097 0.000 0.856 296 D CB -0.478 40.275 40.800 -0.078 0.000 0.934 296 D HN 0.518 nan 8.370 nan 0.000 0.453 297 N N 0.185 118.861 118.700 -0.040 0.000 2.398 297 N HA -0.072 4.668 4.740 0.000 0.000 0.188 297 N C 0.732 176.222 175.510 -0.033 0.000 1.122 297 N CA 0.353 53.383 53.050 -0.034 0.000 0.866 297 N CB 0.025 38.499 38.487 -0.022 0.000 0.970 297 N HN 0.285 nan 8.380 nan 0.000 0.462 298 E N -0.642 119.541 120.200 -0.029 0.000 2.474 298 E HA 0.109 4.459 4.350 0.000 0.000 0.215 298 E C 0.084 176.662 176.600 -0.036 0.000 0.867 298 E CA -0.477 55.906 56.400 -0.028 0.000 1.135 298 E CB 0.883 30.583 29.700 0.000 0.000 1.147 298 E HN 0.167 nan 8.360 nan 0.000 0.534 299 R N 2.887 123.373 120.500 -0.023 0.000 2.449 299 R HA 0.110 4.450 4.340 0.000 0.000 0.296 299 R C -2.443 173.854 176.300 -0.005 0.000 1.047 299 R CA -1.466 54.648 56.100 0.023 0.000 1.018 299 R CB 0.308 30.598 30.300 -0.017 0.000 0.962 299 R HN -0.193 nan 8.270 nan 0.000 0.428 300 P HA 0.090 nan 4.420 nan 0.000 0.272 300 P C -0.421 176.841 177.300 -0.064 0.000 1.230 300 P CA -0.183 62.807 63.100 -0.184 0.000 0.788 300 P CB 1.093 32.455 31.700 -0.563 0.000 0.949 301 S N -0.620 115.030 115.700 -0.083 0.000 2.492 301 S HA 0.126 4.597 4.470 0.000 0.000 0.218 301 S C 0.587 175.250 174.600 0.105 0.000 1.016 301 S CA 0.019 58.264 58.200 0.075 0.000 0.916 301 S CB 0.240 63.473 63.200 0.055 0.000 0.791 301 S HN 0.350 nan 8.310 nan 0.000 0.513 302 V N 1.410 121.264 119.914 -0.101 0.000 2.709 302 V HA 0.661 4.781 4.120 0.000 0.000 0.308 302 V C -2.159 173.807 176.094 -0.214 0.000 1.062 302 V CA -0.814 61.520 62.300 0.056 0.000 0.901 302 V CB 1.640 33.599 31.823 0.227 0.000 1.003 302 V HN 0.342 nan 8.190 nan 0.000 0.425 303 Y N 3.706 124.105 120.300 0.166 0.000 2.553 303 Y HA 0.858 5.408 4.550 0.001 0.000 0.347 303 Y C 0.162 175.984 175.900 -0.131 0.000 1.019 303 Y CA -0.446 57.710 58.100 0.093 0.000 1.032 303 Y CB 2.482 41.076 38.460 0.224 0.000 1.284 303 Y HN 0.841 nan 8.280 nan 0.000 0.466 304 A N 2.466 125.208 122.820 -0.130 0.000 2.393 304 A HA 0.743 5.063 4.320 0.000 0.000 0.306 304 A C -2.082 175.642 177.584 0.234 0.000 1.050 304 A CA -0.574 51.349 52.037 -0.190 0.000 0.724 304 A CB 0.904 19.407 19.000 -0.829 0.000 1.248 304 A HN 0.655 nan 8.150 nan 0.000 0.424 305 F N 2.149 122.086 119.950 -0.022 0.000 2.522 305 F HA 0.739 5.267 4.527 0.002 0.000 0.324 305 F C -1.216 174.419 175.800 -0.275 0.000 1.077 305 F CA -0.829 57.042 58.000 -0.214 0.000 0.944 305 F CB 1.572 40.211 39.000 -0.602 0.000 1.175 305 F HN 0.642 nan 8.300 nan 0.000 0.468 306 Y N 4.004 123.483 120.300 -1.367 0.000 2.442 306 Y HA 0.565 5.116 4.550 0.000 0.000 0.344 306 Y C -1.372 173.701 175.900 -1.379 0.000 0.976 306 Y CA -0.708 56.812 58.100 -0.966 0.000 1.040 306 Y CB 1.785 40.008 38.460 -0.396 0.000 1.228 306 Y HN 0.631 nan 8.280 nan 0.000 0.451 307 S N 4.409 119.164 115.700 -1.576 0.000 2.502 307 S HA 0.243 4.713 4.470 0.000 0.000 0.304 307 S C 0.416 174.324 174.600 -1.153 0.000 1.097 307 S CA -0.549 56.931 58.200 -1.200 0.000 1.045 307 S CB 0.941 63.852 63.200 -0.482 0.000 1.019 307 S HN 0.859 nan 8.310 nan 0.000 0.481 308 E N 3.569 123.407 120.200 -0.604 0.000 2.482 308 E HA 0.015 4.365 4.350 0.000 0.000 0.196 308 E C -0.162 176.458 176.600 0.033 0.000 1.047 308 E CA 0.454 56.749 56.400 -0.176 0.000 0.869 308 E CB 0.070 29.841 29.700 0.119 0.000 0.836 308 E HN 0.572 nan 8.360 nan 0.000 0.520 309 Q N 1.112 120.935 119.800 0.038 0.000 2.205 309 Q HA 0.243 4.583 4.340 0.000 0.000 0.249 309 Q C -1.922 174.160 176.000 0.137 0.000 0.948 309 Q CA -2.018 53.868 55.803 0.138 0.000 0.895 309 Q CB 1.681 30.521 28.738 0.170 0.000 1.249 309 Q HN 0.034 nan 8.270 nan 0.000 0.458 310 P HA 0.008 nan 4.420 nan 0.000 0.256 310 P C 0.190 177.587 177.300 0.161 0.000 1.384 310 P CA 0.338 63.514 63.100 0.127 0.000 0.879 310 P CB 0.354 32.053 31.700 -0.001 0.000 1.403 311 D N 0.093 120.603 120.400 0.184 0.000 2.092 311 D HA -0.236 4.404 4.640 0.000 0.000 0.193 311 D C 1.582 178.077 176.300 0.325 0.000 0.994 311 D CA 1.206 55.340 54.000 0.224 0.000 0.828 311 D CB -0.629 40.345 40.800 0.290 0.000 0.963 311 D HN 0.049 nan 8.370 nan 0.000 0.450 312 F N 0.669 120.764 119.950 0.242 0.000 2.095 312 F HA -0.174 4.353 4.527 0.000 0.000 0.298 312 F C 2.418 178.336 175.800 0.197 0.000 1.104 312 F CA 1.710 59.858 58.000 0.247 0.000 1.232 312 F CB -0.436 38.659 39.000 0.158 0.000 0.987 312 F HN -0.098 nan 8.300 nan 0.000 0.475 313 S N 0.266 116.151 115.700 0.308 0.000 2.402 313 S HA -0.080 4.390 4.470 0.000 0.000 0.229 313 S C 2.259 176.924 174.600 0.108 0.000 1.021 313 S CA 0.939 59.269 58.200 0.216 0.000 0.974 313 S CB -1.101 62.299 63.200 0.333 0.000 0.800 313 S HN 0.647 nan 8.310 nan 0.000 0.484 314 G N 1.799 110.647 108.800 0.079 0.000 2.446 314 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 314 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 314 G C 1.190 176.074 174.900 -0.028 0.000 1.168 314 G CA 0.793 45.912 45.100 0.033 0.000 0.771 314 G HN 0.494 nan 8.290 nan 0.000 0.551 315 H N 0.456 119.532 119.070 0.010 0.000 2.319 315 H HA -0.083 4.474 4.556 0.001 0.000 0.299 315 H C 2.493 177.765 175.328 -0.094 0.000 1.092 315 H CA 1.734 57.767 56.048 -0.025 0.000 1.302 315 H CB -0.101 29.600 29.762 -0.103 0.000 1.373 315 H HN 0.417 nan 8.280 nan 0.000 0.497 316 K N 0.008 120.278 120.400 -0.217 0.000 2.057 316 K HA -0.141 4.179 4.320 0.000 0.000 0.206 316 K C 1.004 177.348 176.600 -0.426 0.000 1.050 316 K CA 1.387 57.393 56.287 -0.468 0.000 0.935 316 K CB 0.150 32.089 32.500 -0.935 0.000 0.715 316 K HN 0.180 nan 8.250 nan 0.000 0.439 317 Y N -0.637 119.661 120.300 -0.003 0.000 2.453 317 Y HA 0.321 4.871 4.550 0.001 0.000 0.247 317 Y C 0.575 176.485 175.900 0.017 0.000 1.124 317 Y CA 0.111 58.213 58.100 0.003 0.000 1.243 317 Y CB 1.198 39.653 38.460 -0.008 0.000 1.213 317 Y HN 0.246 nan 8.280 nan 0.000 0.523 318 G N 1.468 110.352 108.800 0.140 0.000 2.733 318 G HA2 -0.186 3.775 3.960 0.000 0.000 0.686 318 G HA3 -0.186 3.775 3.960 0.000 0.000 0.686 318 G C -1.979 172.959 174.900 0.064 0.000 1.373 318 G CA -0.465 44.697 45.100 0.104 0.000 0.838 318 G HN 0.031 nan 8.290 nan 0.000 0.588 319 P HA 0.053 nan 4.420 nan 0.000 0.221 319 P C 1.152 178.286 177.300 -0.276 0.000 1.150 319 P CA 1.242 64.248 63.100 -0.157 0.000 0.800 319 P CB 0.013 31.444 31.700 -0.449 0.000 0.787 320 F N -0.011 120.004 119.950 0.109 0.000 2.641 320 F HA 0.366 4.893 4.527 -0.000 0.000 0.302 320 F C 1.756 177.570 175.800 0.023 0.000 1.098 320 F CA -0.655 57.384 58.000 0.065 0.000 1.318 320 F CB -0.625 38.407 39.000 0.052 0.000 1.035 320 F HN -0.177 nan 8.300 nan 0.000 0.551 321 G N 1.898 110.775 108.800 0.128 0.000 2.441 321 G HA2 0.179 4.139 3.960 0.000 0.000 0.243 321 G HA3 0.179 4.139 3.960 0.000 0.000 0.243 321 G C -1.361 173.526 174.900 -0.023 0.000 1.281 321 G CA -0.823 44.315 45.100 0.063 0.000 0.854 321 G HN -0.001 nan 8.290 nan 0.000 0.560 322 P HA -0.059 nan 4.420 nan 0.000 0.222 322 P C 0.936 178.133 177.300 -0.171 0.000 1.147 322 P CA 0.889 63.934 63.100 -0.090 0.000 0.790 322 P CB 0.401 32.054 31.700 -0.079 0.000 0.780 323 E N -0.866 119.158 120.200 -0.292 0.000 2.409 323 E HA -0.055 4.296 4.350 0.000 0.000 0.198 323 E C 1.844 178.275 176.600 -0.282 0.000 1.024 323 E CA 0.778 56.896 56.400 -0.470 0.000 0.861 323 E CB -0.673 28.249 29.700 -1.296 0.000 0.788 323 E HN 0.173 nan 8.360 nan 0.000 0.521 324 M N -0.128 119.355 119.600 -0.195 0.000 2.476 324 M HA -0.011 4.470 4.480 0.000 0.000 0.262 324 M C 1.564 177.734 176.300 -0.217 0.000 1.079 324 M CA 1.083 56.264 55.300 -0.200 0.000 1.104 324 M CB -0.812 31.608 32.600 -0.300 0.000 1.409 324 M HN 0.060 nan 8.290 nan 0.000 0.467 325 T N 0.794 115.245 114.554 -0.172 0.000 2.708 325 T HA -0.154 4.196 4.350 0.000 0.000 0.266 325 T C 1.655 176.291 174.700 -0.106 0.000 1.037 325 T CA 1.896 63.913 62.100 -0.138 0.000 1.146 325 T CB -0.373 68.432 68.868 -0.104 0.000 0.865 325 T HN 0.437 nan 8.240 nan 0.000 0.435 326 N N 1.523 120.168 118.700 -0.091 0.000 2.043 326 N HA -0.085 4.655 4.740 0.000 0.000 0.193 326 N C -0.859 174.633 175.510 -0.030 0.000 1.037 326 N CA 1.395 54.413 53.050 -0.054 0.000 0.851 326 N CB -0.557 37.903 38.487 -0.044 0.000 1.027 326 N HN 0.254 nan 8.380 nan 0.000 0.422 327 P HA -0.108 nan 4.420 nan 0.000 0.218 327 P C 1.347 178.651 177.300 0.008 0.000 1.149 327 P CA 1.073 64.184 63.100 0.018 0.000 0.817 327 P CB -0.054 31.674 31.700 0.046 0.000 0.785 328 L N -0.720 120.465 121.223 -0.063 0.000 2.093 328 L HA -0.089 4.251 4.340 0.000 0.000 0.208 328 L C 2.921 179.795 176.870 0.006 0.000 1.085 328 L CA 1.381 56.194 54.840 -0.045 0.000 0.755 328 L CB -0.659 41.302 42.059 -0.164 0.000 0.904 328 L HN -0.100 nan 8.230 nan 0.000 0.435 329 R N 0.034 120.521 120.500 -0.023 0.000 2.096 329 R HA -0.152 4.188 4.340 0.000 0.000 0.235 329 R C 2.144 178.442 176.300 -0.003 0.000 1.127 329 R CA 1.291 57.378 56.100 -0.021 0.000 0.968 329 R CB -0.218 30.061 30.300 -0.034 0.000 0.861 329 R HN 0.490 nan 8.270 nan 0.000 0.440 330 E N 0.587 120.797 120.200 0.017 0.000 2.072 330 E HA -0.155 4.195 4.350 0.000 0.000 0.191 330 E C 2.080 178.723 176.600 0.072 0.000 0.985 330 E CA 1.004 57.424 56.400 0.033 0.000 0.801 330 E CB -0.114 29.611 29.700 0.041 0.000 0.750 330 E HN 0.335 nan 8.360 nan 0.000 0.452 331 I N 1.419 122.064 120.570 0.125 0.000 2.208 331 I HA -0.273 3.897 4.170 0.000 0.000 0.245 331 I C 2.269 178.442 176.117 0.093 0.000 1.097 331 I CA 1.422 62.841 61.300 0.199 0.000 1.363 331 I CB -0.246 37.950 38.000 0.326 0.000 1.051 331 I HN 0.064 nan 8.210 nan 0.000 0.413 332 D N 0.880 121.297 120.400 0.029 0.000 2.144 332 D HA -0.239 4.402 4.640 0.000 0.000 0.200 332 D C 2.197 178.437 176.300 -0.100 0.000 0.978 332 D CA 1.199 55.154 54.000 -0.074 0.000 0.833 332 D CB 0.044 40.803 40.800 -0.068 0.000 0.961 332 D HN 0.130 nan 8.370 nan 0.000 0.470 333 K N -0.633 119.730 120.400 -0.061 0.000 2.057 333 K HA -0.139 4.181 4.320 0.000 0.000 0.207 333 K C 1.809 178.354 176.600 -0.091 0.000 1.049 333 K CA 1.688 57.930 56.287 -0.075 0.000 0.931 333 K CB -0.149 32.322 32.500 -0.049 0.000 0.714 333 K HN 0.058 nan 8.250 nan 0.000 0.440 334 T N 0.641 115.155 114.554 -0.067 0.000 2.746 334 T HA -0.113 4.237 4.350 0.000 0.000 0.267 334 T C 1.847 176.440 174.700 -0.179 0.000 1.039 334 T CA 1.461 63.497 62.100 -0.106 0.000 1.142 334 T CB -0.195 68.651 68.868 -0.037 0.000 0.866 334 T HN 0.019 nan 8.240 nan 0.000 0.444 335 V N 1.506 121.272 119.914 -0.246 0.000 2.392 335 V HA -0.149 3.971 4.120 0.000 0.000 0.249 335 V C 2.843 178.729 176.094 -0.348 0.000 1.059 335 V CA 2.005 64.024 62.300 -0.468 0.000 1.051 335 V CB -1.355 30.079 31.823 -0.648 0.000 0.658 335 V HN 0.613 nan 8.190 nan 0.000 0.455 336 G N -1.325 107.343 108.800 -0.220 0.000 2.408 336 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 336 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 336 G C 1.488 176.320 174.900 -0.113 0.000 1.150 336 G CA 0.656 45.677 45.100 -0.132 0.000 0.776 336 G HN 0.538 nan 8.290 nan 0.000 0.542 337 Q N -0.658 119.067 119.800 -0.125 0.000 2.050 337 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 337 Q C 2.470 178.382 176.000 -0.147 0.000 0.980 337 Q CA 1.235 56.975 55.803 -0.104 0.000 0.840 337 Q CB -0.284 28.382 28.738 -0.119 0.000 0.898 337 Q HN 0.430 nan 8.270 nan 0.000 0.424 338 L N 0.106 121.201 121.223 -0.213 0.000 2.017 338 L HA -0.188 4.153 4.340 0.000 0.000 0.208 338 L C 2.039 178.744 176.870 -0.275 0.000 1.073 338 L CA 1.777 56.476 54.840 -0.234 0.000 0.745 338 L CB -0.333 41.581 42.059 -0.242 0.000 0.894 338 L HN 0.224 nan 8.230 nan 0.000 0.432 339 M N -0.871 118.497 119.600 -0.387 0.000 2.156 339 M HA -0.127 4.354 4.480 0.000 0.000 0.264 339 M C 1.970 178.095 176.300 -0.292 0.000 1.067 339 M CA 1.245 56.201 55.300 -0.574 0.000 1.131 339 M CB -1.475 30.417 32.600 -1.181 0.000 1.368 339 M HN 0.232 nan 8.290 nan 0.000 0.416 340 D N 0.493 120.827 120.400 -0.110 0.000 2.123 340 D HA -0.102 4.538 4.640 0.000 0.000 0.196 340 D C 2.100 178.373 176.300 -0.045 0.000 0.992 340 D CA 1.739 55.734 54.000 -0.007 0.000 0.833 340 D CB -0.608 40.234 40.800 0.071 0.000 0.954 340 D HN 0.447 nan 8.370 nan 0.000 0.455 341 G N 0.595 109.355 108.800 -0.067 0.000 2.418 341 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 341 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 341 G C 1.795 176.660 174.900 -0.059 0.000 1.158 341 G CA 0.342 45.410 45.100 -0.054 0.000 0.771 341 G HN 0.255 nan 8.290 nan 0.000 0.545 342 L N 0.031 121.194 121.223 -0.100 0.000 2.046 342 L HA -0.054 4.286 4.340 0.000 0.000 0.208 342 L C 2.841 179.706 176.870 -0.008 0.000 1.077 342 L CA 1.502 56.300 54.840 -0.069 0.000 0.747 342 L CB -0.323 41.670 42.059 -0.111 0.000 0.896 342 L HN 0.216 nan 8.230 nan 0.000 0.432 343 K N 0.005 120.362 120.400 -0.071 0.000 2.063 343 K HA -0.234 4.086 4.320 0.000 0.000 0.208 343 K C 2.126 178.682 176.600 -0.073 0.000 1.048 343 K CA 1.474 57.644 56.287 -0.195 0.000 0.928 343 K CB -0.026 32.278 32.500 -0.327 0.000 0.713 343 K HN 0.346 nan 8.250 nan 0.000 0.442 344 Q N -0.219 119.560 119.800 -0.034 0.000 2.234 344 Q HA -0.146 4.194 4.340 0.000 0.000 0.206 344 Q C 1.308 177.330 176.000 0.036 0.000 0.980 344 Q CA 0.873 56.684 55.803 0.014 0.000 0.869 344 Q CB 0.136 28.899 28.738 0.041 0.000 0.912 344 Q HN 0.191 nan 8.270 nan 0.000 0.436 345 L N 0.088 121.329 121.223 0.030 0.000 2.607 345 L HA 0.083 4.423 4.340 0.000 0.000 0.228 345 L C 0.149 177.036 176.870 0.028 0.000 1.123 345 L CA 0.795 55.656 54.840 0.035 0.000 0.890 345 L CB 0.099 42.172 42.059 0.025 0.000 1.103 345 L HN 0.065 nan 8.230 nan 0.000 0.468 346 K N -0.887 119.556 120.400 0.072 0.000 3.129 346 K HA -0.217 4.103 4.320 0.000 0.000 0.273 346 K C 0.716 177.338 176.600 0.036 0.000 1.123 346 K CA 0.407 56.763 56.287 0.114 0.000 0.800 346 K CB -1.895 30.635 32.500 0.050 0.000 1.238 346 K HN 0.277 nan 8.250 nan 0.000 0.492 347 L N -0.721 120.534 121.223 0.054 0.000 2.731 347 L HA 0.078 4.419 4.340 0.000 0.000 0.240 347 L C 1.966 178.834 176.870 -0.003 0.000 1.120 347 L CA 0.141 54.936 54.840 -0.075 0.000 0.913 347 L CB -0.121 41.866 42.059 -0.119 0.000 1.213 347 L HN 0.402 nan 8.230 nan 0.000 0.515 348 H N -0.823 118.229 119.070 -0.031 0.000 2.518 348 H HA -0.024 4.532 4.556 -0.001 0.000 0.289 348 H C 1.603 177.006 175.328 0.125 0.000 1.051 348 H CA 0.683 56.742 56.048 0.017 0.000 1.280 348 H CB -0.086 29.719 29.762 0.071 0.000 1.380 348 H HN 0.149 nan 8.280 nan 0.000 0.566 349 R N -0.320 119.976 120.500 -0.339 0.000 2.613 349 R HA 0.231 4.571 4.340 0.000 0.000 0.361 349 R C 0.341 176.561 176.300 -0.133 0.000 1.072 349 R CA 0.261 56.229 56.100 -0.220 0.000 1.089 349 R CB 0.532 30.633 30.300 -0.331 0.000 1.343 349 R HN 0.456 nan 8.270 nan 0.000 0.571 350 c N -0.857 117.682 118.600 -0.103 0.000 2.553 350 c HA 0.333 4.903 4.570 0.000 0.000 0.447 350 c C 0.745 174.827 174.090 -0.014 0.000 1.351 350 c CA -0.013 56.261 56.329 -0.091 0.000 2.354 350 c CB 0.284 42.675 42.510 -0.198 0.000 2.905 350 c HN 0.051 nan 8.230 nan 0.000 0.554 351 V N 3.901 123.825 119.914 0.017 0.000 2.686 351 V HA 0.316 4.436 4.120 0.000 0.000 0.295 351 V C -0.453 175.723 176.094 0.136 0.000 1.057 351 V CA -0.081 62.269 62.300 0.085 0.000 1.012 351 V CB 1.169 33.034 31.823 0.069 0.000 1.006 351 V HN 0.467 nan 8.190 nan 0.000 0.477 352 N N 2.525 121.330 118.700 0.174 0.000 2.455 352 N HA 0.430 5.170 4.740 0.000 0.000 0.280 352 N C -0.849 174.843 175.510 0.303 0.000 1.055 352 N CA -0.201 53.006 53.050 0.262 0.000 0.961 352 N CB 1.993 40.609 38.487 0.214 0.000 1.121 352 N HN 0.366 nan 8.380 nan 0.000 0.476 353 V N 3.689 123.803 119.914 0.334 0.000 2.459 353 V HA 0.480 4.601 4.120 0.000 0.000 0.295 353 V C 0.314 176.525 176.094 0.195 0.000 1.029 353 V CA -0.697 61.740 62.300 0.229 0.000 0.874 353 V CB 1.612 33.494 31.823 0.098 0.000 0.985 353 V HN 0.480 nan 8.190 nan 0.000 0.438 354 I N 4.920 125.610 120.570 0.200 0.000 2.362 354 I HA 0.396 4.567 4.170 0.000 0.000 0.289 354 I C -0.959 175.224 176.117 0.111 0.000 0.994 354 I CA -0.365 60.994 61.300 0.099 0.000 1.158 354 I CB 1.510 39.679 38.000 0.283 0.000 1.315 354 I HN 0.544 nan 8.210 nan 0.000 0.451 355 F N 8.412 128.234 119.950 -0.213 0.000 2.385 355 F HA 0.674 5.203 4.527 0.002 0.000 0.360 355 F C -0.813 174.898 175.800 -0.148 0.000 1.122 355 F CA -0.466 57.433 58.000 -0.168 0.000 1.090 355 F CB 1.084 39.881 39.000 -0.339 0.000 1.150 355 F HN 0.154 nan 8.300 nan 0.000 0.472 356 V N 5.851 125.520 119.914 -0.408 0.000 2.851 356 V HA 0.821 4.941 4.120 0.000 0.000 0.307 356 V C -0.495 175.460 176.094 -0.232 0.000 1.129 356 V CA -0.196 62.006 62.300 -0.165 0.000 0.932 356 V CB 1.767 33.668 31.823 0.131 0.000 1.024 356 V HN 0.930 nan 8.190 nan 0.000 0.426 357 G N 2.819 111.536 108.800 -0.139 0.000 2.491 357 G HA2 0.520 4.481 3.960 0.000 0.000 0.327 357 G HA3 0.520 4.481 3.960 0.000 0.000 0.327 357 G C 0.184 175.074 174.900 -0.017 0.000 1.189 357 G CA 0.266 45.310 45.100 -0.092 0.000 0.956 357 G HN 0.856 nan 8.290 nan 0.000 0.491 358 D N -2.013 118.345 120.400 -0.069 0.000 2.338 358 D HA 0.106 4.746 4.640 0.000 0.000 0.208 358 D C 0.670 176.999 176.300 0.048 0.000 0.997 358 D CA 0.951 54.953 54.000 0.004 0.000 0.880 358 D CB 0.011 40.844 40.800 0.056 0.000 0.980 358 D HN 0.653 nan 8.370 nan 0.000 0.509 359 H N -3.731 115.358 119.070 0.031 0.000 2.904 359 H HA 0.584 5.141 4.556 0.001 0.000 0.290 359 H C 0.091 175.388 175.328 -0.052 0.000 1.437 359 H CA -0.873 55.174 56.048 -0.001 0.000 1.147 359 H CB 0.807 30.548 29.762 -0.036 0.000 1.824 359 H HN 0.025 nan 8.280 nan 0.000 0.505 360 G N -0.505 108.402 108.800 0.177 0.000 2.630 360 G HA2 0.527 4.487 3.960 0.000 0.000 0.223 360 G HA3 0.527 4.487 3.960 0.000 0.000 0.223 360 G C -0.833 174.138 174.900 0.119 0.000 1.434 360 G CA -0.424 44.706 45.100 0.051 0.000 1.057 360 G HN 0.758 nan 8.290 nan 0.000 0.570 361 M N -0.995 118.615 119.600 0.016 0.000 2.365 361 M HA 0.543 5.023 4.480 0.000 0.000 0.288 361 M C -1.521 174.802 176.300 0.039 0.000 1.152 361 M CA -0.602 54.730 55.300 0.054 0.000 0.948 361 M CB 2.360 34.956 32.600 -0.007 0.000 1.729 361 M HN 0.576 nan 8.290 nan 0.000 0.487 362 E N 1.491 121.776 120.200 0.141 0.000 2.299 362 E HA 0.475 4.826 4.350 0.000 0.000 0.265 362 E C -1.449 175.232 176.600 0.135 0.000 0.911 362 E CA -0.405 56.086 56.400 0.151 0.000 0.789 362 E CB 1.412 31.283 29.700 0.285 0.000 1.246 362 E HN 0.641 nan 8.360 nan 0.000 0.427 363 D N 1.615 122.091 120.400 0.128 0.000 2.358 363 D HA 0.225 4.866 4.640 0.000 0.000 0.258 363 D C -0.781 175.555 176.300 0.061 0.000 1.223 363 D CA 0.316 54.381 54.000 0.108 0.000 0.886 363 D CB 0.704 41.583 40.800 0.131 0.000 1.120 363 D HN 0.095 nan 8.370 nan 0.000 0.482 364 V N 2.525 122.475 119.914 0.061 0.000 2.612 364 V HA 0.387 4.508 4.120 0.000 0.000 0.301 364 V C 0.334 176.427 176.094 -0.000 0.000 1.059 364 V CA -0.770 61.527 62.300 -0.004 0.000 0.886 364 V CB 2.094 33.923 31.823 0.010 0.000 1.007 364 V HN 0.632 nan 8.190 nan 0.000 0.426 365 T N -0.451 113.979 114.554 -0.207 0.000 2.907 365 T HA 0.335 4.685 4.350 0.000 0.000 0.290 365 T C 1.071 175.526 174.700 -0.409 0.000 1.066 365 T CA -0.346 61.488 62.100 -0.442 0.000 1.012 365 T CB 1.483 70.142 68.868 -0.349 0.000 1.184 365 T HN 0.479 nan 8.240 nan 0.000 0.522 366 c N 0.649 118.921 118.600 -0.547 0.000 2.403 366 c HA -0.081 4.489 4.570 0.000 0.000 0.277 366 c C 2.282 176.300 174.090 -0.119 0.000 1.248 366 c CA 1.002 57.214 56.329 -0.195 0.000 1.762 366 c CB -1.302 41.091 42.510 -0.194 0.000 2.014 366 c HN 0.880 nan 8.230 nan 0.000 0.486 367 D N 0.165 120.449 120.400 -0.194 0.000 2.310 367 D HA -0.052 4.589 4.640 0.000 0.000 0.212 367 D C 1.297 177.416 176.300 -0.301 0.000 0.965 367 D CA 0.895 54.797 54.000 -0.163 0.000 0.879 367 D CB -0.302 40.402 40.800 -0.160 0.000 0.921 367 D HN 0.564 nan 8.370 nan 0.000 0.510 368 R N 0.372 120.553 120.500 -0.533 0.000 3.463 368 R HA 0.255 4.596 4.340 0.000 0.000 0.303 368 R C -0.547 175.392 176.300 -0.602 0.000 1.370 368 R CA -0.080 55.273 56.100 -1.245 0.000 1.524 368 R CB 0.578 29.748 30.300 -1.882 0.000 1.389 368 R HN -0.141 nan 8.270 nan 0.000 0.640 369 T N 0.792 115.283 114.554 -0.106 0.000 2.809 369 T HA 0.209 4.559 4.350 0.000 0.000 0.284 369 T C -0.158 174.514 174.700 -0.046 0.000 0.992 369 T CA -0.757 61.334 62.100 -0.015 0.000 0.957 369 T CB 2.092 70.804 68.868 -0.259 0.000 0.942 369 T HN 0.129 nan 8.240 nan 0.000 0.439 370 E N 2.247 122.535 120.200 0.147 0.000 2.354 370 E HA 0.294 4.644 4.350 0.000 0.000 0.269 370 E C -0.873 175.579 176.600 -0.248 0.000 1.036 370 E CA -0.058 56.412 56.400 0.116 0.000 0.876 370 E CB 0.862 30.771 29.700 0.347 0.000 1.009 370 E HN 0.447 nan 8.360 nan 0.000 0.416 371 F N 1.953 122.079 119.950 0.293 0.000 2.444 371 F HA 0.201 4.728 4.527 0.001 0.000 0.342 371 F C 1.475 177.424 175.800 0.248 0.000 1.121 371 F CA -0.606 57.510 58.000 0.194 0.000 0.997 371 F CB 0.897 39.993 39.000 0.161 0.000 1.130 371 F HN 0.323 nan 8.300 nan 0.000 0.454 372 L N 1.345 122.726 121.223 0.263 0.000 2.191 372 L HA -0.191 4.150 4.340 0.000 0.000 0.212 372 L C 2.299 179.354 176.870 0.309 0.000 1.103 372 L CA 1.437 56.404 54.840 0.211 0.000 0.769 372 L CB -0.570 41.514 42.059 0.043 0.000 0.908 372 L HN 0.767 nan 8.230 nan 0.000 0.438 373 S N -0.957 114.900 115.700 0.261 0.000 2.442 373 S HA -0.190 4.281 4.470 0.000 0.000 0.236 373 S C 1.421 176.121 174.600 0.167 0.000 1.007 373 S CA 1.369 59.673 58.200 0.172 0.000 0.965 373 S CB -0.729 62.531 63.200 0.099 0.000 0.773 373 S HN 0.548 nan 8.310 nan 0.000 0.504 374 N N -0.391 118.454 118.700 0.242 0.000 2.512 374 N HA 0.061 4.801 4.740 0.000 0.000 0.183 374 N C 0.639 176.104 175.510 -0.076 0.000 1.073 374 N CA 0.987 54.078 53.050 0.068 0.000 0.911 374 N CB -0.050 38.453 38.487 0.027 0.000 0.964 374 N HN 0.511 nan 8.380 nan 0.000 0.447 375 Y N -0.178 120.187 120.300 0.110 0.000 2.526 375 Y HA 0.360 4.910 4.550 0.000 0.000 0.265 375 Y C 0.198 176.137 175.900 0.065 0.000 1.092 375 Y CA -0.121 58.036 58.100 0.094 0.000 1.277 375 Y CB 0.747 39.295 38.460 0.146 0.000 1.228 375 Y HN -0.158 nan 8.280 nan 0.000 0.507 376 L N -0.651 120.708 121.223 0.226 0.000 2.362 376 L HA 0.380 4.720 4.340 0.000 0.000 0.271 376 L C 0.856 177.781 176.870 0.091 0.000 1.002 376 L CA -0.399 54.523 54.840 0.137 0.000 0.818 376 L CB 2.041 44.174 42.059 0.123 0.000 1.298 376 L HN -0.146 nan 8.230 nan 0.000 0.420 377 T N -0.030 114.561 114.554 0.062 0.000 2.857 377 T HA -0.043 4.308 4.350 0.000 0.000 0.266 377 T C 0.543 175.266 174.700 0.039 0.000 1.048 377 T CA 1.431 63.556 62.100 0.042 0.000 1.139 377 T CB -0.188 68.697 68.868 0.029 0.000 0.874 377 T HN 0.510 nan 8.240 nan 0.000 0.455 378 N N 0.967 119.694 118.700 0.044 0.000 2.790 378 N HA 0.261 5.001 4.740 0.000 0.000 0.256 378 N C 0.768 176.305 175.510 0.046 0.000 1.409 378 N CA -0.199 52.874 53.050 0.039 0.000 0.799 378 N CB 1.599 40.106 38.487 0.033 0.000 1.170 378 N HN 0.043 nan 8.380 nan 0.000 0.507 379 V N -2.237 117.705 119.914 0.047 0.000 3.141 379 V HA -0.033 4.088 4.120 0.000 0.000 0.265 379 V C 1.037 177.149 176.094 0.029 0.000 1.126 379 V CA 1.196 63.524 62.300 0.047 0.000 1.141 379 V CB -0.080 31.777 31.823 0.056 0.000 0.743 379 V HN 0.335 nan 8.190 nan 0.000 0.492 380 D N 0.962 121.375 120.400 0.022 0.000 2.348 380 D HA -0.062 4.578 4.640 0.000 0.000 0.216 380 D C 1.380 177.684 176.300 0.006 0.000 0.970 380 D CA 1.067 55.073 54.000 0.009 0.000 0.889 380 D CB -0.066 40.738 40.800 0.006 0.000 0.912 380 D HN 0.534 nan 8.370 nan 0.000 0.524 381 D N 0.049 120.460 120.400 0.019 0.000 2.349 381 D HA 0.098 4.739 4.640 0.000 0.000 0.214 381 D C 0.993 177.300 176.300 0.012 0.000 1.063 381 D CA 0.016 54.027 54.000 0.019 0.000 0.847 381 D CB 0.924 41.749 40.800 0.042 0.000 0.933 381 D HN 0.381 nan 8.370 nan 0.000 0.513 382 I N -2.388 118.189 120.570 0.011 0.000 2.797 382 I HA 0.471 4.641 4.170 0.000 0.000 0.307 382 I C -0.359 175.731 176.117 -0.045 0.000 1.033 382 I CA -0.714 60.579 61.300 -0.013 0.000 1.071 382 I CB 2.287 40.315 38.000 0.046 0.000 1.255 382 I HN -0.434 nan 8.210 nan 0.000 0.445 383 T N 5.217 119.720 114.554 -0.084 0.000 2.794 383 T HA 0.590 4.940 4.350 0.000 0.000 0.280 383 T C -0.769 173.888 174.700 -0.072 0.000 0.987 383 T CA -0.301 61.748 62.100 -0.085 0.000 0.993 383 T CB 1.353 70.146 68.868 -0.124 0.000 0.939 383 T HN 0.495 nan 8.240 nan 0.000 0.449 384 L N 5.117 126.303 121.223 -0.063 0.000 2.349 384 L HA 0.610 4.950 4.340 0.000 0.000 0.278 384 L C -0.759 176.064 176.870 -0.080 0.000 0.996 384 L CA -0.629 54.168 54.840 -0.072 0.000 0.825 384 L CB 1.413 43.426 42.059 -0.076 0.000 1.243 384 L HN 0.405 nan 8.230 nan 0.000 0.412 385 V N 8.039 127.904 119.914 -0.082 0.000 2.415 385 V HA 0.371 4.491 4.120 0.000 0.000 0.267 385 V C -1.840 174.171 176.094 -0.138 0.000 1.042 385 V CA -0.722 61.523 62.300 -0.091 0.000 1.000 385 V CB 0.109 31.892 31.823 -0.066 0.000 1.015 385 V HN 0.742 nan 8.190 nan 0.000 0.478 386 P HA 0.795 nan 4.420 nan 0.000 0.309 386 P C 0.297 177.422 177.300 -0.291 0.000 1.302 386 P CA 0.279 63.253 63.100 -0.211 0.000 0.835 386 P CB 2.603 34.186 31.700 -0.195 0.000 1.324 387 G N -0.265 108.319 108.800 -0.360 0.000 2.846 387 G HA2 -0.208 3.752 3.960 0.000 0.000 0.225 387 G HA3 -0.208 3.752 3.960 0.000 0.000 0.225 387 G C 0.712 175.460 174.900 -0.253 0.000 1.285 387 G CA 0.440 45.192 45.100 -0.580 0.000 1.055 387 G HN 0.707 nan 8.290 nan 0.000 0.579 388 T N 0.542 114.921 114.554 -0.292 0.000 3.169 388 T HA 0.535 4.885 4.350 0.000 0.000 0.250 388 T C 0.861 175.427 174.700 -0.223 0.000 1.111 388 T CA 1.405 63.260 62.100 -0.409 0.000 1.010 388 T CB -0.715 67.500 68.868 -1.088 0.000 0.984 388 T HN 1.714 nan 8.240 nan 0.000 0.537 389 L N -4.004 117.127 121.223 -0.154 0.000 2.568 389 L HA 0.950 5.291 4.340 0.000 0.000 0.257 389 L C -0.734 176.023 176.870 -0.188 0.000 1.024 389 L CA -1.540 53.252 54.840 -0.081 0.000 0.854 389 L CB 1.517 43.540 42.059 -0.060 0.000 1.460 389 L HN -0.048 nan 8.230 nan 0.000 0.409 390 G N 0.569 109.185 108.800 -0.305 0.000 2.566 390 G HA2 0.759 4.719 3.960 0.000 0.000 0.311 390 G HA3 0.759 4.719 3.960 0.000 0.000 0.311 390 G C -1.406 173.270 174.900 -0.373 0.000 1.322 390 G CA -0.817 44.102 45.100 -0.301 0.000 0.969 390 G HN 0.582 nan 8.290 nan 0.000 0.490 391 R N 1.753 122.149 120.500 -0.173 0.000 2.561 391 R HA 0.510 4.850 4.340 0.000 0.000 0.297 391 R C -1.112 175.170 176.300 -0.031 0.000 0.969 391 R CA -0.746 55.327 56.100 -0.045 0.000 0.879 391 R CB 2.577 32.913 30.300 0.060 0.000 1.178 391 R HN 0.410 nan 8.270 nan 0.000 0.445 392 I N 3.710 124.287 120.570 0.011 0.000 2.465 392 I HA 0.493 4.663 4.170 0.000 0.000 0.291 392 I C 0.006 176.126 176.117 0.006 0.000 1.014 392 I CA -0.802 60.507 61.300 0.015 0.000 1.093 392 I CB 1.725 39.763 38.000 0.064 0.000 1.267 392 I HN 0.558 nan 8.210 nan 0.000 0.431 393 R N 5.812 126.244 120.500 -0.113 0.000 2.799 393 R HA 0.645 4.985 4.340 0.000 0.000 0.270 393 R C -3.160 172.853 176.300 -0.479 0.000 1.010 393 R CA -1.964 53.938 56.100 -0.330 0.000 0.916 393 R CB 1.485 31.651 30.300 -0.224 0.000 1.228 393 R HN 0.125 nan 8.270 nan 0.000 0.469 394 P HA -0.026 nan 4.420 nan 0.000 0.268 394 P C -0.275 176.862 177.300 -0.272 0.000 1.205 394 P CA -0.133 62.677 63.100 -0.484 0.000 0.771 394 P CB 1.229 32.645 31.700 -0.474 0.000 0.858 395 K N 2.878 123.180 120.400 -0.163 0.000 2.063 395 K HA -0.078 4.242 4.320 0.000 0.000 0.208 395 K C 0.635 177.147 176.600 -0.146 0.000 1.048 395 K CA 1.116 57.322 56.287 -0.136 0.000 0.928 395 K CB -0.141 32.313 32.500 -0.077 0.000 0.713 395 K HN 0.470 nan 8.250 nan 0.000 0.442 396 I N 2.991 123.491 120.570 -0.117 0.000 2.312 396 I HA 0.160 4.331 4.170 0.000 0.000 0.291 396 I C -2.265 173.783 176.117 -0.115 0.000 1.031 396 I CA -2.618 58.626 61.300 -0.095 0.000 1.293 396 I CB 1.293 39.264 38.000 -0.048 0.000 1.403 396 I HN -0.022 nan 8.210 nan 0.000 0.484 397 P HA -0.007 nan 4.420 nan 0.000 0.262 397 P C -0.191 177.090 177.300 -0.033 0.000 1.182 397 P CA 0.545 63.593 63.100 -0.088 0.000 0.761 397 P CB 0.142 31.838 31.700 -0.007 0.000 0.795 398 N N -0.887 117.793 118.700 -0.033 0.000 2.800 398 N HA -0.231 4.509 4.740 0.000 0.000 0.250 398 N C 0.091 175.608 175.510 0.012 0.000 1.078 398 N CA 0.071 53.123 53.050 0.004 0.000 0.804 398 N CB -1.536 36.967 38.487 0.027 0.000 1.135 398 N HN 0.496 nan 8.380 nan 0.000 0.565 399 N N 1.660 120.353 118.700 -0.011 0.000 2.414 399 N HA -0.044 4.697 4.740 0.000 0.000 0.268 399 N C 0.957 176.512 175.510 0.074 0.000 1.286 399 N CA 0.127 53.190 53.050 0.020 0.000 0.896 399 N CB 0.480 38.969 38.487 0.004 0.000 1.093 399 N HN 0.126 nan 8.380 nan 0.000 0.480 400 L N 3.841 125.102 121.223 0.062 0.000 2.275 400 L HA -0.051 4.289 4.340 0.000 0.000 0.215 400 L C 1.833 178.752 176.870 0.081 0.000 1.119 400 L CA 1.350 56.231 54.840 0.069 0.000 0.790 400 L CB -0.702 41.384 42.059 0.045 0.000 0.919 400 L HN 0.635 nan 8.230 nan 0.000 0.443 401 K N -1.314 119.136 120.400 0.083 0.000 2.459 401 K HA -0.077 4.244 4.320 0.000 0.000 0.193 401 K C 0.132 176.799 176.600 0.112 0.000 1.030 401 K CA -0.258 56.074 56.287 0.075 0.000 1.026 401 K CB -0.010 32.524 32.500 0.056 0.000 0.809 401 K HN 0.051 nan 8.250 nan 0.000 0.504 402 Y N 2.576 122.878 120.300 0.003 0.000 2.721 402 Y HA -0.133 4.417 4.550 0.000 0.000 0.329 402 Y C -0.022 175.882 175.900 0.005 0.000 1.211 402 Y CA -0.076 58.025 58.100 0.003 0.000 1.512 402 Y CB 0.201 38.662 38.460 0.002 0.000 1.249 402 Y HN -0.065 nan 8.280 nan 0.000 0.549 403 D N 9.101 129.264 120.400 -0.395 0.000 2.456 403 D HA 0.255 4.895 4.640 0.000 0.000 0.287 403 D C -1.999 174.032 176.300 -0.447 0.000 1.186 403 D CA -2.078 51.731 54.000 -0.317 0.000 0.916 403 D CB 0.964 41.678 40.800 -0.144 0.000 1.029 403 D HN 0.337 nan 8.370 nan 0.000 0.498 404 P HA -0.139 nan 4.420 nan 0.000 0.217 404 P C 1.178 178.355 177.300 -0.204 0.000 1.150 404 P CA 0.830 63.652 63.100 -0.463 0.000 0.832 404 P CB 0.640 32.132 31.700 -0.345 0.000 0.787 405 K N -0.044 120.266 120.400 -0.149 0.000 2.097 405 K HA -0.056 4.264 4.320 0.000 0.000 0.206 405 K C 2.304 178.858 176.600 -0.077 0.000 1.049 405 K CA 1.499 57.733 56.287 -0.088 0.000 0.933 405 K CB -0.549 31.912 32.500 -0.066 0.000 0.717 405 K HN 0.048 nan 8.250 nan 0.000 0.442 406 A N 1.467 124.234 122.820 -0.088 0.000 1.898 406 A HA -0.103 4.217 4.320 0.000 0.000 0.216 406 A C 2.112 179.669 177.584 -0.046 0.000 1.181 406 A CA 1.054 53.055 52.037 -0.060 0.000 0.620 406 A CB -0.487 18.479 19.000 -0.056 0.000 0.819 406 A HN 0.140 nan 8.150 nan 0.000 0.442 407 I N -0.263 120.263 120.570 -0.074 0.000 2.127 407 I HA -0.284 3.886 4.170 0.000 0.000 0.241 407 I C 2.319 178.430 176.117 -0.010 0.000 1.075 407 I CA 1.558 62.837 61.300 -0.036 0.000 1.334 407 I CB -0.367 37.596 38.000 -0.061 0.000 1.040 407 I HN 0.292 nan 8.210 nan 0.000 0.405 408 I N 0.737 121.290 120.570 -0.028 0.000 2.208 408 I HA -0.324 3.846 4.170 0.000 0.000 0.245 408 I C 2.801 178.908 176.117 -0.017 0.000 1.097 408 I CA 1.354 62.647 61.300 -0.012 0.000 1.363 408 I CB -0.517 37.472 38.000 -0.018 0.000 1.051 408 I HN 0.223 nan 8.210 nan 0.000 0.413 409 A N 0.993 123.798 122.820 -0.025 0.000 1.883 409 A HA -0.262 4.058 4.320 0.000 0.000 0.217 409 A C 1.989 179.574 177.584 0.002 0.000 1.186 409 A CA 2.354 54.376 52.037 -0.025 0.000 0.624 409 A CB -0.814 18.169 19.000 -0.029 0.000 0.822 409 A HN 0.415 nan 8.150 nan 0.000 0.444 410 N N -0.454 118.264 118.700 0.030 0.000 2.520 410 N HA 0.015 4.755 4.740 0.000 0.000 0.185 410 N C 1.101 176.710 175.510 0.165 0.000 1.068 410 N CA 0.729 53.833 53.050 0.089 0.000 0.911 410 N CB -0.207 38.341 38.487 0.102 0.000 0.961 410 N HN 0.521 nan 8.380 nan 0.000 0.446 411 L N -0.896 120.382 121.223 0.091 0.000 2.640 411 L HA 0.181 4.521 4.340 0.000 0.000 0.230 411 L C -0.096 176.748 176.870 -0.044 0.000 1.123 411 L CA 0.213 55.086 54.840 0.056 0.000 0.900 411 L CB 0.252 42.362 42.059 0.084 0.000 1.146 411 L HN -0.101 nan 8.230 nan 0.000 0.484 412 T N -0.101 114.429 114.554 -0.041 0.000 2.762 412 T HA 0.157 4.508 4.350 0.000 0.000 0.303 412 T C 0.476 175.105 174.700 -0.118 0.000 0.977 412 T CA -0.285 61.748 62.100 -0.112 0.000 0.961 412 T CB 0.438 69.242 68.868 -0.108 0.000 0.944 412 T HN 0.238 nan 8.240 nan 0.000 0.481 413 c N 4.276 122.771 118.600 -0.175 0.000 4.056 413 c HA -0.103 4.468 4.570 0.000 0.000 0.302 413 c C 1.516 175.541 174.090 -0.107 0.000 1.356 413 c CA 0.097 56.326 56.329 -0.166 0.000 2.074 413 c CB -1.791 40.616 42.510 -0.171 0.000 1.328 413 c HN 0.807 nan 8.230 nan 0.000 0.684 414 K N 0.017 120.389 120.400 -0.047 0.000 2.354 414 K HA 0.157 4.478 4.320 0.000 0.000 0.194 414 K C 0.686 177.253 176.600 -0.056 0.000 1.045 414 K CA 0.688 56.971 56.287 -0.008 0.000 1.026 414 K CB 0.371 32.934 32.500 0.106 0.000 0.866 414 K HN 0.667 nan 8.250 nan 0.000 0.530 415 K N 0.930 121.288 120.400 -0.070 0.000 2.371 415 K HA 0.231 4.551 4.320 0.000 0.000 0.251 415 K C -1.973 174.533 176.600 -0.157 0.000 0.934 415 K CA -1.866 54.353 56.287 -0.114 0.000 0.798 415 K CB 2.185 34.620 32.500 -0.108 0.000 1.204 415 K HN -0.291 nan 8.250 nan 0.000 0.427 416 P HA -0.201 nan 4.420 nan 0.000 0.215 416 P C 0.174 177.354 177.300 -0.201 0.000 1.153 416 P CA 1.600 64.614 63.100 -0.144 0.000 0.853 416 P CB 0.156 31.795 31.700 -0.102 0.000 0.788 417 D N -1.438 118.808 120.400 -0.256 0.000 2.463 417 D HA 0.021 4.661 4.640 0.000 0.000 0.224 417 D C 0.587 176.382 176.300 -0.842 0.000 1.174 417 D CA -0.444 53.306 54.000 -0.415 0.000 0.829 417 D CB -0.949 39.689 40.800 -0.270 0.000 0.993 417 D HN 0.188 nan 8.370 nan 0.000 0.497 418 Q N 0.753 120.201 119.800 -0.587 0.000 2.308 418 Q HA -0.127 4.213 4.340 0.000 0.000 0.313 418 Q C 0.036 175.568 176.000 -0.780 0.000 1.075 418 Q CA 0.544 55.974 55.803 -0.622 0.000 0.995 418 Q CB 0.357 28.795 28.738 -0.501 0.000 1.107 418 Q HN 0.339 nan 8.270 nan 0.000 0.380 419 H N 5.340 124.141 119.070 -0.448 0.000 2.524 419 H HA 0.171 4.727 4.556 0.000 0.000 0.299 419 H C -0.762 174.537 175.328 -0.049 0.000 1.074 419 H CA 0.154 55.927 56.048 -0.458 0.000 1.115 419 H CB -0.467 28.597 29.762 -1.163 0.000 1.522 419 H HN 0.472 nan 8.280 nan 0.000 0.543 420 F N -1.218 118.681 119.950 -0.086 0.000 2.741 420 F HA 0.592 5.119 4.527 0.000 0.000 0.313 420 F C -1.428 174.341 175.800 -0.052 0.000 1.153 420 F CA -1.458 56.532 58.000 -0.016 0.000 0.931 420 F CB 1.960 40.952 39.000 -0.013 0.000 1.335 420 F HN -0.305 nan 8.300 nan 0.000 0.460 421 K N 2.450 122.947 120.400 0.161 0.000 2.535 421 K HA 0.507 4.827 4.320 0.000 0.000 0.250 421 K C -3.248 173.461 176.600 0.180 0.000 0.948 421 K CA -2.031 54.257 56.287 0.003 0.000 0.796 421 K CB 2.678 35.159 32.500 -0.032 0.000 1.216 421 K HN 0.471 nan 8.250 nan 0.000 0.432 422 P HA 0.186 nan 4.420 nan 0.000 0.279 422 P C -1.441 175.840 177.300 -0.032 0.000 1.239 422 P CA -0.157 63.016 63.100 0.122 0.000 0.789 422 P CB 0.541 32.286 31.700 0.074 0.000 0.933 423 Y N 0.659 121.048 120.300 0.148 0.000 2.457 423 Y HA 0.300 4.850 4.550 0.001 0.000 0.343 423 Y C 0.702 176.677 175.900 0.125 0.000 0.994 423 Y CA -1.153 57.040 58.100 0.154 0.000 1.031 423 Y CB 1.950 40.511 38.460 0.168 0.000 1.246 423 Y HN 0.177 nan 8.280 nan 0.000 0.449 424 M N 3.678 123.415 119.600 0.228 0.000 2.245 424 M HA 0.059 4.539 4.480 0.000 0.000 0.344 424 M C 1.383 177.697 176.300 0.022 0.000 1.170 424 M CA 0.058 55.391 55.300 0.054 0.000 1.135 424 M CB 0.873 33.405 32.600 -0.114 0.000 1.574 424 M HN 0.836 nan 8.290 nan 0.000 0.452 425 K N 2.620 122.979 120.400 -0.069 0.000 2.152 425 K HA -0.209 4.112 4.320 0.000 0.000 0.206 425 K C 1.299 177.775 176.600 -0.206 0.000 1.048 425 K CA 1.404 57.616 56.287 -0.124 0.000 0.933 425 K CB -0.265 32.119 32.500 -0.193 0.000 0.721 425 K HN 0.702 nan 8.250 nan 0.000 0.447 426 Q N 0.982 120.571 119.800 -0.352 0.000 2.364 426 Q HA -0.162 4.178 4.340 0.000 0.000 0.207 426 Q C 0.793 176.768 176.000 -0.042 0.000 0.970 426 Q CA 1.533 57.164 55.803 -0.287 0.000 0.888 426 Q CB -0.462 28.051 28.738 -0.376 0.000 0.951 426 Q HN 0.721 nan 8.270 nan 0.000 0.469 427 H N -0.062 119.047 119.070 0.065 0.000 2.553 427 H HA 0.310 4.867 4.556 0.000 0.000 0.265 427 H C 0.297 175.770 175.328 0.242 0.000 0.964 427 H CA -0.723 55.438 56.048 0.189 0.000 1.156 427 H CB 0.499 30.409 29.762 0.246 0.000 1.411 427 H HN 0.059 nan 8.280 nan 0.000 0.558 428 L N 2.374 123.660 121.223 0.104 0.000 2.483 428 L HA 0.064 4.405 4.340 0.000 0.000 0.276 428 L C -1.934 174.884 176.870 -0.087 0.000 1.213 428 L CA -1.964 52.710 54.840 -0.276 0.000 0.843 428 L CB 0.184 42.050 42.059 -0.321 0.000 1.107 428 L HN -0.071 nan 8.230 nan 0.000 0.487 429 P HA -0.066 nan 4.420 nan 0.000 0.261 429 P C -0.103 177.117 177.300 -0.134 0.000 1.173 429 P CA 0.075 63.101 63.100 -0.124 0.000 0.760 429 P CB 0.374 31.840 31.700 -0.392 0.000 0.783 430 K N 4.063 124.417 120.400 -0.076 0.000 2.209 430 K HA -0.158 4.162 4.320 0.000 0.000 0.204 430 K C 1.794 178.078 176.600 -0.528 0.000 1.048 430 K CA 1.371 57.494 56.287 -0.275 0.000 0.940 430 K CB -0.304 32.035 32.500 -0.269 0.000 0.729 430 K HN 0.565 nan 8.250 nan 0.000 0.451 431 R N 0.848 121.155 120.500 -0.322 0.000 2.193 431 R HA -0.040 4.300 4.340 0.000 0.000 0.229 431 R C 2.013 178.159 176.300 -0.257 0.000 1.110 431 R CA 0.971 56.909 56.100 -0.271 0.000 0.988 431 R CB -0.688 29.556 30.300 -0.093 0.000 0.871 431 R HN 0.106 nan 8.270 nan 0.000 0.458 432 L N 0.099 121.153 121.223 -0.281 0.000 2.313 432 L HA 0.000 4.340 4.340 0.000 0.000 0.214 432 L C 0.258 177.072 176.870 -0.094 0.000 1.119 432 L CA 0.371 55.112 54.840 -0.164 0.000 0.809 432 L CB -0.690 41.211 42.059 -0.263 0.000 0.933 432 L HN 0.370 nan 8.230 nan 0.000 0.449 433 H N -1.653 117.291 119.070 -0.211 0.000 2.692 433 H HA -0.253 4.303 4.556 0.000 0.000 0.316 433 H C -0.557 174.711 175.328 -0.099 0.000 1.176 433 H CA 0.636 56.489 56.048 -0.325 0.000 1.142 433 H CB -1.976 27.192 29.762 -0.990 0.000 1.475 433 H HN 0.358 nan 8.280 nan 0.000 0.423 434 Y N -0.658 119.575 120.300 -0.111 0.000 2.562 434 Y HA 0.546 5.096 4.550 0.000 0.000 0.363 434 Y C 0.410 176.256 175.900 -0.090 0.000 0.991 434 Y CA 0.246 58.306 58.100 -0.066 0.000 1.121 434 Y CB 0.169 38.617 38.460 -0.020 0.000 1.159 434 Y HN 0.346 nan 8.280 nan 0.000 0.651 435 A N 1.419 124.134 122.820 -0.175 0.000 1.998 435 A HA 0.097 4.418 4.320 0.000 0.000 0.180 435 A C 0.407 178.007 177.584 0.027 0.000 1.858 435 A CA -0.064 51.880 52.037 -0.155 0.000 1.403 435 A CB 0.036 18.969 19.000 -0.112 0.000 1.550 435 A HN 0.328 nan 8.150 nan 0.000 0.385 436 N N 2.521 121.270 118.700 0.082 0.000 3.254 436 N HA 0.162 4.902 4.740 0.000 0.000 0.308 436 N C -0.855 174.646 175.510 -0.014 0.000 1.281 436 N CA 0.120 53.232 53.050 0.103 0.000 1.212 436 N CB -0.509 37.995 38.487 0.028 0.000 1.478 436 N HN 0.427 nan 8.380 nan 0.000 0.548 437 N N 0.336 119.012 118.700 -0.041 0.000 2.431 437 N HA 0.091 4.831 4.740 0.000 0.000 0.275 437 N C 0.570 176.022 175.510 -0.096 0.000 1.091 437 N CA -0.364 52.628 53.050 -0.096 0.000 0.922 437 N CB 1.188 39.584 38.487 -0.152 0.000 1.666 437 N HN 0.387 nan 8.380 nan 0.000 0.484 438 R N 2.056 122.490 120.500 -0.110 0.000 2.237 438 R HA 0.035 4.375 4.340 0.000 0.000 0.219 438 R C 0.578 176.800 176.300 -0.130 0.000 1.080 438 R CA 0.922 56.953 56.100 -0.115 0.000 0.995 438 R CB -0.020 30.185 30.300 -0.159 0.000 0.875 438 R HN 0.419 nan 8.270 nan 0.000 0.462 439 R N 0.718 121.130 120.500 -0.147 0.000 2.310 439 R HA 0.266 4.606 4.340 0.000 0.000 0.202 439 R C 0.192 176.443 176.300 -0.082 0.000 0.933 439 R CA 0.171 56.205 56.100 -0.110 0.000 1.054 439 R CB 0.199 30.441 30.300 -0.096 0.000 0.985 439 R HN 0.206 nan 8.270 nan 0.000 0.489 440 I N 2.330 122.820 120.570 -0.133 0.000 2.301 440 I HA 0.074 4.244 4.170 0.000 0.000 0.292 440 I C -0.163 175.919 176.117 -0.058 0.000 1.046 440 I CA -0.645 60.562 61.300 -0.154 0.000 1.282 440 I CB 1.076 38.831 38.000 -0.407 0.000 1.409 440 I HN -0.082 nan 8.210 nan 0.000 0.484 441 E N 4.415 124.632 120.200 0.027 0.000 2.481 441 E HA -0.078 4.272 4.350 0.000 0.000 0.263 441 E C 0.621 177.250 176.600 0.049 0.000 0.992 441 E CA 0.196 56.627 56.400 0.052 0.000 0.938 441 E CB 0.438 30.185 29.700 0.077 0.000 0.933 441 E HN 0.404 nan 8.360 nan 0.000 0.453 442 D N 0.692 121.116 120.400 0.040 0.000 2.133 442 D HA -0.135 4.506 4.640 0.000 0.000 0.195 442 D C 0.404 176.743 176.300 0.066 0.000 0.997 442 D CA 0.987 54.996 54.000 0.015 0.000 0.840 442 D CB -0.012 40.811 40.800 0.038 0.000 0.947 442 D HN 0.158 nan 8.370 nan 0.000 0.452 443 L N 0.554 121.852 121.223 0.126 0.000 2.265 443 L HA 0.314 4.654 4.340 0.000 0.000 0.288 443 L C -0.776 176.214 176.870 0.200 0.000 1.058 443 L CA -0.328 54.603 54.840 0.152 0.000 0.809 443 L CB 0.965 43.114 42.059 0.150 0.000 1.179 443 L HN -0.088 nan 8.230 nan 0.000 0.429 444 H N 3.858 123.013 119.070 0.141 0.000 2.679 444 H HA 0.702 5.258 4.556 0.000 0.000 0.367 444 H C -1.404 174.046 175.328 0.203 0.000 1.162 444 H CA -0.654 55.498 56.048 0.173 0.000 1.181 444 H CB 1.525 31.413 29.762 0.211 0.000 1.693 444 H HN 0.613 nan 8.280 nan 0.000 0.538 445 L N 5.036 126.158 121.223 -0.168 0.000 2.319 445 L HA 0.330 4.671 4.340 0.000 0.000 0.281 445 L C -0.638 176.313 176.870 0.135 0.000 1.005 445 L CA -0.634 54.244 54.840 0.063 0.000 0.828 445 L CB 1.545 43.555 42.059 -0.082 0.000 1.227 445 L HN 0.410 nan 8.230 nan 0.000 0.415 446 L N 4.348 125.801 121.223 0.384 0.000 2.315 446 L HA 0.353 4.693 4.340 0.000 0.000 0.283 446 L C -0.236 176.834 176.870 0.335 0.000 1.089 446 L CA -0.342 54.702 54.840 0.340 0.000 0.833 446 L CB 1.508 43.730 42.059 0.272 0.000 1.170 446 L HN 0.354 nan 8.230 nan 0.000 0.442 447 V N 3.869 123.999 119.914 0.360 0.000 2.539 447 V HA 0.190 4.310 4.120 0.000 0.000 0.292 447 V C 0.334 176.679 176.094 0.418 0.000 1.045 447 V CA -0.796 61.758 62.300 0.423 0.000 0.945 447 V CB 1.798 33.895 31.823 0.456 0.000 0.993 447 V HN 0.700 nan 8.190 nan 0.000 0.464 448 E N 4.252 124.636 120.200 0.306 0.000 2.373 448 E HA 0.157 4.507 4.350 0.000 0.000 0.267 448 E C 0.411 176.990 176.600 -0.034 0.000 1.032 448 E CA -0.674 55.810 56.400 0.140 0.000 0.889 448 E CB 0.604 30.365 29.700 0.101 0.000 0.984 448 E HN 0.681 nan 8.360 nan 0.000 0.425 449 R N 3.865 124.131 120.500 -0.389 0.000 2.638 449 R HA -0.037 4.303 4.340 0.000 0.000 0.268 449 R C 0.033 176.090 176.300 -0.405 0.000 1.006 449 R CA 0.510 56.010 56.100 -1.000 0.000 1.088 449 R CB 0.374 30.347 30.300 -0.545 0.000 0.950 449 R HN 0.870 nan 8.270 nan 0.000 0.419 450 R N -0.846 119.400 120.500 -0.425 0.000 3.653 450 R HA -0.168 4.172 4.340 0.000 0.000 0.485 450 R C -1.000 175.255 176.300 -0.074 0.000 0.840 450 R CA 1.723 57.782 56.100 -0.069 0.000 1.409 450 R CB -1.610 28.657 30.300 -0.055 0.000 2.089 450 R HN 0.698 nan 8.270 nan 0.000 0.482 451 W N 0.256 121.613 121.300 0.095 0.000 2.647 451 W HA 0.547 5.207 4.660 0.000 0.000 0.353 451 W C 0.721 177.441 176.519 0.334 0.000 1.080 451 W CA -0.380 57.056 57.345 0.152 0.000 1.208 451 W CB 0.781 30.309 29.460 0.114 0.000 1.396 451 W HN -0.004 nan 8.180 nan 0.000 0.573 452 H N 0.058 119.342 119.070 0.356 0.000 2.621 452 H HA 0.601 5.157 4.556 0.000 0.000 0.360 452 H C -1.042 174.365 175.328 0.132 0.000 1.163 452 H CA -1.174 54.981 56.048 0.177 0.000 1.194 452 H CB 2.553 32.347 29.762 0.054 0.000 1.649 452 H HN 0.172 nan 8.280 nan 0.000 0.532 453 V N 2.116 122.085 119.914 0.090 0.000 2.513 453 V HA 0.785 4.905 4.120 0.000 0.000 0.299 453 V C -0.932 175.060 176.094 -0.171 0.000 1.035 453 V CA -0.176 62.056 62.300 -0.113 0.000 0.889 453 V CB 0.970 32.615 31.823 -0.296 0.000 0.988 453 V HN 0.877 nan 8.190 nan 0.000 0.440 454 A N 5.556 128.273 122.820 -0.171 0.000 2.479 454 A HA 0.692 5.013 4.320 0.000 0.000 0.296 454 A C 0.596 178.220 177.584 0.068 0.000 1.121 454 A CA -0.561 51.444 52.037 -0.053 0.000 0.743 454 A CB 1.652 20.674 19.000 0.036 0.000 1.323 454 A HN 0.899 nan 8.150 nan 0.000 0.415 455 R N -0.087 120.469 120.500 0.094 0.000 2.062 455 R HA 0.001 4.341 4.340 0.000 0.000 0.229 455 R C 0.251 176.672 176.300 0.203 0.000 1.128 455 R CA 2.063 58.221 56.100 0.098 0.000 0.960 455 R CB -0.100 30.226 30.300 0.042 0.000 0.855 455 R HN 0.760 nan 8.270 nan 0.000 0.432 456 K N -2.780 117.776 120.400 0.260 0.000 2.607 456 K HA 0.276 4.596 4.320 0.000 0.000 0.287 456 K C -2.660 173.889 176.600 -0.085 0.000 0.996 456 K CA -1.452 54.911 56.287 0.125 0.000 0.876 456 K CB 1.767 34.274 32.500 0.012 0.000 1.496 456 K HN -0.314 nan 8.250 nan 0.000 0.415 457 P HA -0.138 nan 4.420 nan 0.000 0.219 457 P C 0.982 178.152 177.300 -0.215 0.000 1.146 457 P CA 1.486 64.107 63.100 -0.798 0.000 0.808 457 P CB -0.194 31.040 31.700 -0.777 0.000 0.779 469 F N 1.133 121.040 119.950 -0.071 0.000 2.797 469 F HA 0.286 4.813 4.527 0.001 0.000 0.302 469 F C 0.777 176.576 175.800 -0.001 0.000 1.130 469 F CA -0.143 57.838 58.000 -0.033 0.000 1.387 469 F CB 0.054 39.065 39.000 0.019 0.000 1.107 469 F HN 0.607 nan 8.300 nan 0.000 0.577 470 F N -0.760 119.250 119.950 0.100 0.000 2.551 470 F HA 0.509 5.036 4.527 0.000 0.000 0.316 470 F C 0.064 175.867 175.800 0.006 0.000 1.089 470 F CA -0.986 57.027 58.000 0.023 0.000 0.915 470 F CB 1.126 40.155 39.000 0.048 0.000 1.186 470 F HN -0.202 nan 8.300 nan 0.000 0.456 471 Q N 2.011 121.875 119.800 0.107 0.000 2.140 471 Q HA 0.364 4.704 4.340 0.000 0.000 0.227 471 Q C 0.048 176.136 176.000 0.146 0.000 0.798 471 Q CA -0.151 55.669 55.803 0.029 0.000 0.987 471 Q CB 2.043 30.791 28.738 0.017 0.000 1.161 471 Q HN 1.000 nan 8.270 nan 0.000 0.480 472 G N -0.120 108.831 108.800 0.252 0.000 2.620 472 G HA2 0.572 4.532 3.960 0.000 0.000 0.301 472 G HA3 0.572 4.532 3.960 0.000 0.000 0.301 472 G C -1.676 173.335 174.900 0.185 0.000 1.347 472 G CA -0.037 45.160 45.100 0.162 0.000 0.971 472 G HN -0.089 nan 8.290 nan 0.000 0.488 473 D N -1.218 119.256 120.400 0.123 0.000 2.692 473 D HA 0.545 5.186 4.640 0.000 0.000 0.303 473 D C -0.973 175.375 176.300 0.079 0.000 1.278 473 D CA -0.335 53.698 54.000 0.055 0.000 0.852 473 D CB 2.006 42.839 40.800 0.056 0.000 1.375 473 D HN 0.744 nan 8.370 nan 0.000 0.453 474 H N -2.430 116.584 119.070 -0.095 0.000 2.981 474 H HA 0.670 5.226 4.556 0.001 0.000 0.327 474 H C 0.335 175.427 175.328 -0.392 0.000 1.342 474 H CA -0.348 55.594 56.048 -0.177 0.000 1.123 474 H CB 1.566 31.219 29.762 -0.182 0.000 1.851 474 H HN 0.627 nan 8.280 nan 0.000 0.531 475 G N -0.686 107.949 108.800 -0.274 0.000 2.738 475 G HA2 -0.139 3.822 3.960 0.000 0.000 0.195 475 G HA3 -0.139 3.822 3.960 0.000 0.000 0.195 475 G C -0.427 174.365 174.900 -0.180 0.000 1.001 475 G CA -0.417 44.488 45.100 -0.324 0.000 0.759 475 G HN 0.430 nan 8.290 nan 0.000 0.494 476 F N 2.387 122.422 119.950 0.142 0.000 2.535 476 F HA 0.395 4.922 4.527 0.000 0.000 0.332 476 F C 1.154 177.156 175.800 0.337 0.000 1.208 476 F CA -0.200 57.942 58.000 0.237 0.000 1.330 476 F CB 0.241 39.342 39.000 0.168 0.000 1.167 476 F HN 0.024 nan 8.300 nan 0.000 0.597 477 D N 2.154 122.839 120.400 0.475 0.000 3.139 477 D HA -0.203 4.437 4.640 0.000 0.000 0.212 477 D C 1.047 177.474 176.300 0.211 0.000 1.084 477 D CA 0.193 54.282 54.000 0.149 0.000 0.777 477 D CB 0.174 40.986 40.800 0.022 0.000 1.156 477 D HN 0.611 nan 8.370 nan 0.000 0.537 478 N N 3.396 122.214 118.700 0.196 0.000 2.571 478 N HA -0.202 4.538 4.740 0.000 0.000 0.189 478 N C 1.137 176.716 175.510 0.115 0.000 1.154 478 N CA 0.695 53.855 53.050 0.184 0.000 0.907 478 N CB -0.229 38.380 38.487 0.203 0.000 0.977 478 N HN 0.647 nan 8.380 nan 0.000 0.449 479 K N -0.565 119.878 120.400 0.072 0.000 2.367 479 K HA 0.170 4.490 4.320 0.000 0.000 0.194 479 K C -0.138 176.483 176.600 0.035 0.000 1.027 479 K CA -0.296 56.022 56.287 0.050 0.000 1.075 479 K CB 0.316 32.837 32.500 0.034 0.000 0.845 479 K HN -0.117 nan 8.250 nan 0.000 0.529 480 V N 3.353 123.299 119.914 0.054 0.000 2.529 480 V HA -0.095 4.025 4.120 0.000 0.000 0.292 480 V C 1.288 177.382 176.094 0.000 0.000 1.028 480 V CA -0.102 62.219 62.300 0.035 0.000 1.074 480 V CB 0.674 32.538 31.823 0.068 0.000 0.958 480 V HN 0.455 nan 8.190 nan 0.000 0.481 481 N N 3.446 122.123 118.700 -0.039 0.000 2.060 481 N HA -0.189 4.552 4.740 0.000 0.000 0.195 481 N C 2.081 177.546 175.510 -0.074 0.000 1.028 481 N CA 2.093 55.083 53.050 -0.100 0.000 0.861 481 N CB -0.004 38.442 38.487 -0.068 0.000 1.029 481 N HN 0.879 nan 8.380 nan 0.000 0.428 482 S N -0.250 115.445 115.700 -0.009 0.000 2.469 482 S HA -0.039 4.431 4.470 0.000 0.000 0.238 482 S C 1.777 176.394 174.600 0.029 0.000 0.998 482 S CA 0.693 58.897 58.200 0.006 0.000 0.957 482 S CB -0.067 63.164 63.200 0.052 0.000 0.764 482 S HN 0.204 nan 8.310 nan 0.000 0.514 483 M N 0.843 120.487 119.600 0.074 0.000 2.541 483 M HA 0.249 4.729 4.480 0.000 0.000 0.252 483 M C 0.316 176.666 176.300 0.084 0.000 1.125 483 M CA 0.443 55.819 55.300 0.128 0.000 1.091 483 M CB -0.928 31.788 32.600 0.194 0.000 1.420 483 M HN 0.311 nan 8.290 nan 0.000 0.486 484 Q N 0.645 120.446 119.800 0.003 0.000 2.432 484 Q HA 0.151 4.491 4.340 0.000 0.000 0.264 484 Q C 0.506 176.534 176.000 0.047 0.000 1.035 484 Q CA 0.567 56.375 55.803 0.009 0.000 0.908 484 Q CB 0.822 29.453 28.738 -0.179 0.000 1.280 484 Q HN 0.138 nan 8.270 nan 0.000 0.455 485 T N -0.727 113.890 114.554 0.105 0.000 2.676 485 T HA 0.670 5.021 4.350 0.000 0.000 0.269 485 T C -0.928 173.858 174.700 0.143 0.000 0.952 485 T CA -0.464 61.699 62.100 0.105 0.000 1.040 485 T CB 1.201 70.111 68.868 0.070 0.000 1.352 485 T HN 0.426 nan 8.240 nan 0.000 0.554 486 V N 0.625 120.609 119.914 0.118 0.000 2.769 486 V HA 0.917 5.037 4.120 0.000 0.000 0.312 486 V C -1.082 175.093 176.094 0.135 0.000 1.058 486 V CA -0.911 61.461 62.300 0.120 0.000 0.952 486 V CB 1.300 33.152 31.823 0.047 0.000 1.019 486 V HN 0.760 nan 8.190 nan 0.000 0.445 487 F N 3.109 123.078 119.950 0.032 0.000 2.573 487 F HA 0.829 5.356 4.527 0.000 0.000 0.316 487 F C -1.286 174.587 175.800 0.121 0.000 1.148 487 F CA -0.494 57.549 58.000 0.070 0.000 0.940 487 F CB 1.989 41.041 39.000 0.086 0.000 1.214 487 F HN 0.536 nan 8.300 nan 0.000 0.448 488 V N 4.551 123.922 119.914 -0.906 0.000 2.760 488 V HA 0.821 4.941 4.120 0.000 0.000 0.309 488 V C -0.215 175.152 176.094 -1.212 0.000 1.077 488 V CA -0.624 61.206 62.300 -0.783 0.000 0.910 488 V CB 1.837 33.478 31.823 -0.303 0.000 1.008 488 V HN 1.045 nan 8.190 nan 0.000 0.424 489 G N 2.269 110.390 108.800 -1.131 0.000 2.530 489 G HA2 0.641 4.601 3.960 0.000 0.000 0.316 489 G HA3 0.641 4.601 3.960 0.000 0.000 0.316 489 G C -1.975 172.478 174.900 -0.745 0.000 1.298 489 G CA -0.512 43.690 45.100 -1.497 0.000 0.948 489 G HN 0.654 nan 8.290 nan 0.000 0.486 490 Y N 1.592 121.684 120.300 -0.346 0.000 2.386 490 Y HA 0.663 5.212 4.550 -0.001 0.000 0.334 490 Y C 0.233 176.298 175.900 0.275 0.000 1.002 490 Y CA 0.342 58.463 58.100 0.036 0.000 1.068 490 Y CB 2.040 40.494 38.460 -0.011 0.000 1.203 490 Y HN 1.207 nan 8.280 nan 0.000 0.443 491 G N 5.185 113.918 108.800 -0.112 0.000 2.369 491 G HA2 0.033 3.993 3.960 0.000 0.000 0.293 491 G HA3 0.033 3.993 3.960 0.000 0.000 0.293 491 G C -2.788 172.097 174.900 -0.024 0.000 1.301 491 G CA -0.534 44.547 45.100 -0.031 0.000 0.913 491 G HN 0.310 nan 8.290 nan 0.000 0.540 492 P HA -0.033 nan 4.420 nan 0.000 0.218 492 P C 1.497 178.773 177.300 -0.041 0.000 1.148 492 P CA 2.201 65.276 63.100 -0.042 0.000 0.822 492 P CB -0.024 31.654 31.700 -0.037 0.000 0.784 493 T N -1.698 112.808 114.554 -0.081 0.000 3.067 493 T HA 0.103 4.453 4.350 0.000 0.000 0.257 493 T C 0.680 175.238 174.700 -0.236 0.000 1.105 493 T CA 0.296 62.286 62.100 -0.182 0.000 1.104 493 T CB -0.390 68.313 68.868 -0.274 0.000 0.925 493 T HN -0.029 nan 8.240 nan 0.000 0.498 494 F N 1.597 121.561 119.950 0.024 0.000 2.370 494 F HA 0.377 4.903 4.527 -0.002 0.000 0.319 494 F C 1.046 176.872 175.800 0.042 0.000 1.129 494 F CA -1.074 56.954 58.000 0.046 0.000 1.109 494 F CB 0.778 39.820 39.000 0.069 0.000 1.262 494 F HN -0.326 nan 8.300 nan 0.000 0.534 495 K N 0.334 120.915 120.400 0.302 0.000 2.149 495 K HA 0.111 4.431 4.320 0.000 0.000 0.245 495 K C -1.221 175.517 176.600 0.230 0.000 1.024 495 K CA -0.385 56.030 56.287 0.213 0.000 0.899 495 K CB 0.583 33.190 32.500 0.177 0.000 1.038 495 K HN 0.575 nan 8.250 nan 0.000 0.496 496 Y N 0.661 121.001 120.300 0.066 0.000 2.341 496 Y HA 0.163 4.711 4.550 -0.003 0.000 0.337 496 Y C -0.181 175.760 175.900 0.069 0.000 1.014 496 Y CA -0.489 57.639 58.100 0.046 0.000 1.111 496 Y CB 0.934 39.405 38.460 0.018 0.000 1.194 496 Y HN 0.588 nan 8.280 nan 0.000 0.462 497 R N 2.929 123.170 120.500 -0.431 0.000 3.225 497 R HA -0.166 4.175 4.340 0.000 0.000 0.245 497 R C -1.033 175.224 176.300 -0.071 0.000 0.928 497 R CA 1.148 57.042 56.100 -0.344 0.000 0.632 497 R CB -2.101 27.838 30.300 -0.602 0.000 1.038 497 R HN 0.686 nan 8.270 nan 0.000 0.461 498 T N 0.377 114.957 114.554 0.043 0.000 2.848 498 T HA 0.367 4.717 4.350 0.000 0.000 0.285 498 T C -0.246 174.513 174.700 0.098 0.000 0.995 498 T CA -0.770 61.380 62.100 0.084 0.000 0.970 498 T CB 2.356 71.287 68.868 0.105 0.000 0.976 498 T HN 0.173 nan 8.240 nan 0.000 0.441 499 K N 2.680 123.096 120.400 0.026 0.000 2.138 499 K HA 0.723 5.044 4.320 0.000 0.000 0.263 499 K C -0.464 176.099 176.600 -0.060 0.000 0.965 499 K CA -0.707 55.474 56.287 -0.178 0.000 0.868 499 K CB 0.883 33.275 32.500 -0.180 0.000 1.083 499 K HN 0.480 nan 8.250 nan 0.000 0.443 500 V N 0.821 120.701 119.914 -0.056 0.000 2.960 500 V HA 0.660 4.780 4.120 0.000 0.000 0.315 500 V C -2.738 173.397 176.094 0.067 0.000 1.087 500 V CA -2.761 59.601 62.300 0.103 0.000 0.982 500 V CB 1.235 33.185 31.823 0.211 0.000 1.039 500 V HN 0.710 nan 8.190 nan 0.000 0.437 501 P HA 0.362 nan 4.420 nan 0.000 0.272 501 P C -2.764 174.564 177.300 0.048 0.000 1.230 501 P CA -1.173 61.947 63.100 0.032 0.000 0.788 501 P CB -0.505 31.216 31.700 0.035 0.000 0.949 502 P HA 0.129 nan 4.420 nan 0.000 0.268 502 P C -0.809 176.468 177.300 -0.038 0.000 1.208 502 P CA 0.493 63.373 63.100 -0.366 0.000 0.777 502 P CB 0.060 31.215 31.700 -0.907 0.000 0.875 503 F N -1.913 117.977 119.950 -0.099 0.000 2.715 503 F HA 0.610 5.136 4.527 -0.000 0.000 0.318 503 F C -0.669 175.127 175.800 -0.007 0.000 1.141 503 F CA -1.324 56.652 58.000 -0.040 0.000 0.950 503 F CB 1.134 40.094 39.000 -0.067 0.000 1.374 503 F HN 0.139 nan 8.300 nan 0.000 0.477 504 E N 0.905 121.258 120.200 0.254 0.000 2.242 504 E HA 0.155 4.505 4.350 0.000 0.000 0.275 504 E C 0.127 176.856 176.600 0.215 0.000 1.002 504 E CA -0.534 55.961 56.400 0.158 0.000 0.841 504 E CB 1.114 30.915 29.700 0.168 0.000 1.109 504 E HN 0.710 nan 8.360 nan 0.000 0.394 505 N N 3.294 122.073 118.700 0.130 0.000 2.453 505 N HA -0.173 4.567 4.740 0.000 0.000 0.183 505 N C 1.585 177.173 175.510 0.130 0.000 1.041 505 N CA 1.060 54.200 53.050 0.151 0.000 0.900 505 N CB -0.575 37.990 38.487 0.130 0.000 0.961 505 N HN 0.659 nan 8.380 nan 0.000 0.443 506 I N -2.385 118.233 120.570 0.080 0.000 2.700 506 I HA -0.019 4.152 4.170 0.000 0.000 0.261 506 I C 1.074 177.182 176.117 -0.016 0.000 1.219 506 I CA 1.196 62.480 61.300 -0.027 0.000 1.463 506 I CB -0.198 37.698 38.000 -0.174 0.000 1.092 506 I HN -0.132 nan 8.210 nan 0.000 0.452 507 E N 1.238 121.465 120.200 0.045 0.000 2.371 507 E HA 0.017 4.367 4.350 0.000 0.000 0.194 507 E C 2.221 178.793 176.600 -0.048 0.000 1.012 507 E CA 0.512 56.902 56.400 -0.016 0.000 0.860 507 E CB 0.003 29.686 29.700 -0.028 0.000 0.811 507 E HN 0.458 nan 8.360 nan 0.000 0.502 508 L N 0.045 121.292 121.223 0.040 0.000 2.109 508 L HA -0.142 4.198 4.340 0.000 0.000 0.207 508 L C 2.288 179.189 176.870 0.051 0.000 1.086 508 L CA 1.271 56.141 54.840 0.050 0.000 0.760 508 L CB -1.289 40.869 42.059 0.165 0.000 0.910 508 L HN 0.195 nan 8.230 nan 0.000 0.437 509 Y N 1.487 121.744 120.300 -0.072 0.000 2.114 509 Y HA -0.317 4.234 4.550 0.001 0.000 0.282 509 Y C 2.483 178.273 175.900 -0.183 0.000 1.165 509 Y CA 1.975 60.008 58.100 -0.111 0.000 1.148 509 Y CB -0.096 38.270 38.460 -0.156 0.000 0.972 509 Y HN 0.260 nan 8.280 nan 0.000 0.504 510 N N 0.071 118.612 118.700 -0.266 0.000 2.104 510 N HA -0.194 4.546 4.740 0.000 0.000 0.190 510 N C 1.927 177.181 175.510 -0.428 0.000 1.024 510 N CA 1.835 54.534 53.050 -0.586 0.000 0.853 510 N CB -0.694 37.321 38.487 -0.787 0.000 1.008 510 N HN 0.342 nan 8.380 nan 0.000 0.424 511 V N 1.517 121.290 119.914 -0.235 0.000 2.427 511 V HA -0.153 3.968 4.120 0.000 0.000 0.248 511 V C 2.296 178.341 176.094 -0.082 0.000 1.051 511 V CA 1.257 63.486 62.300 -0.119 0.000 1.048 511 V CB -0.379 31.392 31.823 -0.085 0.000 0.666 511 V HN 0.286 nan 8.190 nan 0.000 0.456 512 M N -1.292 118.264 119.600 -0.074 0.000 2.175 512 M HA -0.181 4.299 4.480 0.000 0.000 0.264 512 M C 2.394 178.624 176.300 -0.117 0.000 1.063 512 M CA 1.572 56.856 55.300 -0.026 0.000 1.119 512 M CB -0.711 31.918 32.600 0.048 0.000 1.377 512 M HN 0.405 nan 8.290 nan 0.000 0.415 513 C N 0.749 119.880 119.300 -0.281 0.000 2.432 513 C HA -0.154 4.306 4.460 0.000 0.000 0.277 513 C C 2.281 177.192 174.990 -0.131 0.000 1.249 513 C CA 0.882 59.732 59.018 -0.281 0.000 1.725 513 C CB -0.997 26.462 27.740 -0.468 0.000 2.028 513 C HN 0.543 nan 8.230 nan 0.000 0.477 514 D N 0.934 121.278 120.400 -0.094 0.000 2.116 514 D HA -0.130 4.511 4.640 0.000 0.000 0.193 514 D C 1.920 178.202 176.300 -0.029 0.000 0.998 514 D CA 1.251 55.249 54.000 -0.003 0.000 0.836 514 D CB -0.534 40.289 40.800 0.039 0.000 0.951 514 D HN 0.455 nan 8.370 nan 0.000 0.449 515 L N -0.179 121.011 121.223 -0.055 0.000 2.362 515 L HA -0.072 4.268 4.340 0.000 0.000 0.219 515 L C 1.920 178.784 176.870 -0.011 0.000 1.134 515 L CA 0.480 55.286 54.840 -0.056 0.000 0.807 515 L CB -0.025 41.998 42.059 -0.058 0.000 0.927 515 L HN 0.004 nan 8.230 nan 0.000 0.447 516 L N -1.168 120.049 121.223 -0.010 0.000 2.766 516 L HA 0.313 4.653 4.340 0.000 0.000 0.242 516 L C 1.230 178.099 176.870 -0.002 0.000 1.136 516 L CA 0.158 55.003 54.840 0.008 0.000 0.933 516 L CB 0.351 42.416 42.059 0.009 0.000 1.241 516 L HN 0.281 nan 8.230 nan 0.000 0.522 517 G N 1.212 110.008 108.800 -0.006 0.000 2.221 517 G HA2 -0.270 3.691 3.960 0.000 0.000 0.265 517 G HA3 -0.270 3.691 3.960 0.000 0.000 0.265 517 G C -0.030 174.865 174.900 -0.008 0.000 1.041 517 G CA 0.089 45.190 45.100 0.002 0.000 0.807 517 G HN 0.232 nan 8.290 nan 0.000 0.502 518 L N -0.735 120.466 121.223 -0.036 0.000 2.334 518 L HA 0.522 4.862 4.340 0.000 0.000 0.275 518 L C 0.717 177.553 176.870 -0.055 0.000 1.036 518 L CA -0.952 53.853 54.840 -0.059 0.000 0.807 518 L CB 1.396 43.387 42.059 -0.113 0.000 1.231 518 L HN -0.007 nan 8.230 nan 0.000 0.438 519 K N 3.471 123.849 120.400 -0.037 0.000 2.285 519 K HA 0.301 4.621 4.320 0.000 0.000 0.286 519 K C -2.323 174.236 176.600 -0.068 0.000 1.072 519 K CA -1.613 54.664 56.287 -0.017 0.000 0.913 519 K CB 0.749 33.261 32.500 0.020 0.000 1.067 519 K HN 0.261 nan 8.250 nan 0.000 0.479 520 P HA 0.036 nan 4.420 nan 0.000 0.275 520 P C -0.600 176.729 177.300 0.048 0.000 1.227 520 P CA -0.344 62.681 63.100 -0.126 0.000 0.781 520 P CB 0.961 32.495 31.700 -0.276 0.000 0.906 521 A N 5.138 128.059 122.820 0.169 0.000 2.386 521 A HA 0.356 4.677 4.320 0.000 0.000 0.246 521 A C -2.025 175.573 177.584 0.023 0.000 1.089 521 A CA -1.108 50.966 52.037 0.062 0.000 0.790 521 A CB -1.578 17.423 19.000 0.001 0.000 1.042 521 A HN 0.419 nan 8.150 nan 0.000 0.497 522 P HA 0.168 nan 4.420 nan 0.000 0.263 522 P C -0.663 176.571 177.300 -0.110 0.000 1.195 522 P CA 0.407 63.477 63.100 -0.049 0.000 0.762 522 P CB 0.283 31.956 31.700 -0.044 0.000 0.799 523 N N 0.900 119.532 118.700 -0.115 0.000 3.243 523 N HA 0.259 5.000 4.740 0.000 0.000 0.280 523 N C -0.326 175.072 175.510 -0.187 0.000 1.545 523 N CA -0.881 52.053 53.050 -0.193 0.000 0.854 523 N CB 0.458 38.794 38.487 -0.252 0.000 1.612 523 N HN -0.030 nan 8.380 nan 0.000 0.577 524 N N -1.818 116.711 118.700 -0.285 0.000 2.299 524 N HA 0.198 4.938 4.740 0.000 0.000 0.187 524 N C 0.552 175.935 175.510 -0.212 0.000 1.099 524 N CA -0.041 52.809 53.050 -0.332 0.000 0.867 524 N CB 0.360 38.374 38.487 -0.789 0.000 0.974 524 N HN 0.594 nan 8.380 nan 0.000 0.477 525 G N -0.064 108.636 108.800 -0.167 0.000 2.699 525 G HA2 0.147 4.107 3.960 0.000 0.000 0.246 525 G HA3 0.147 4.107 3.960 0.000 0.000 0.246 525 G C -0.414 174.465 174.900 -0.034 0.000 1.219 525 G CA -0.066 44.980 45.100 -0.090 0.000 0.866 525 G HN 0.005 nan 8.290 nan 0.000 0.572 526 T N 0.272 114.821 114.554 -0.007 0.000 2.893 526 T HA 0.221 4.571 4.350 0.000 0.000 0.324 526 T C -0.211 174.508 174.700 0.032 0.000 1.082 526 T CA -0.224 61.892 62.100 0.028 0.000 0.983 526 T CB 0.294 69.182 68.868 0.034 0.000 1.005 526 T HN 0.579 nan 8.240 nan 0.000 0.475 527 H N 1.842 120.845 119.070 -0.111 0.000 2.955 527 H HA 0.410 4.966 4.556 0.000 0.000 0.290 527 H C 1.353 176.666 175.328 -0.024 0.000 1.047 527 H CA 0.886 56.802 56.048 -0.220 0.000 1.484 527 H CB 0.083 29.495 29.762 -0.583 0.000 1.501 527 H HN 0.994 nan 8.280 nan 0.000 0.521 528 G N 2.434 111.355 108.800 0.201 0.000 2.316 528 G HA2 -0.363 3.597 3.960 0.000 0.000 0.203 528 G HA3 -0.363 3.597 3.960 0.000 0.000 0.203 528 G C 1.361 176.280 174.900 0.031 0.000 0.999 528 G CA 0.319 45.493 45.100 0.122 0.000 0.649 528 G HN 0.658 nan 8.290 nan 0.000 0.489 529 S N 0.117 115.822 115.700 0.009 0.000 2.469 529 S HA 0.212 4.682 4.470 0.000 0.000 0.238 529 S C 1.760 176.385 174.600 0.041 0.000 0.998 529 S CA 1.313 59.520 58.200 0.010 0.000 0.957 529 S CB -0.148 63.054 63.200 0.005 0.000 0.764 529 S HN 0.544 nan 8.310 nan 0.000 0.514 530 L N 0.964 122.140 121.223 -0.078 0.000 2.910 530 L HA 0.349 4.689 4.340 0.000 0.000 0.252 530 L C 1.149 177.857 176.870 -0.270 0.000 1.195 530 L CA -0.267 54.381 54.840 -0.320 0.000 1.003 530 L CB -0.251 41.523 42.059 -0.476 0.000 1.328 530 L HN 0.145 nan 8.230 nan 0.000 0.540 531 N N 0.725 119.393 118.700 -0.052 0.000 2.205 531 N HA -0.195 4.545 4.740 0.000 0.000 0.186 531 N C 1.810 177.308 175.510 -0.020 0.000 1.015 531 N CA 1.209 54.251 53.050 -0.013 0.000 0.862 531 N CB -0.172 38.340 38.487 0.041 0.000 0.986 531 N HN 0.544 nan 8.380 nan 0.000 0.429 532 H N -0.924 118.129 119.070 -0.027 0.000 2.561 532 H HA 0.023 4.579 4.556 -0.000 0.000 0.278 532 H C 1.294 176.638 175.328 0.027 0.000 1.014 532 H CA 0.381 56.425 56.048 -0.007 0.000 1.211 532 H CB -0.241 29.509 29.762 -0.021 0.000 1.365 532 H HN 0.103 nan 8.280 nan 0.000 0.594 533 L N 0.604 121.654 121.223 -0.288 0.000 2.418 533 L HA 0.169 4.509 4.340 0.000 0.000 0.218 533 L C 0.784 177.738 176.870 0.141 0.000 1.125 533 L CA 0.585 55.398 54.840 -0.045 0.000 0.835 533 L CB -0.070 41.963 42.059 -0.043 0.000 0.953 533 L HN 0.160 nan 8.230 nan 0.000 0.454 534 L N -1.235 120.010 121.223 0.036 0.000 2.334 534 L HA 0.387 4.727 4.340 0.000 0.000 0.276 534 L C 1.437 178.318 176.870 0.019 0.000 1.014 534 L CA -0.390 54.451 54.840 0.002 0.000 0.815 534 L CB 1.948 43.964 42.059 -0.072 0.000 1.268 534 L HN -0.061 nan 8.230 nan 0.000 0.428 535 R N 0.582 121.088 120.500 0.009 0.000 2.100 535 R HA 0.058 4.399 4.340 0.000 0.000 0.220 535 R C 0.442 176.736 176.300 -0.010 0.000 1.091 535 R CA 1.011 57.120 56.100 0.014 0.000 0.986 535 R CB 0.463 30.774 30.300 0.017 0.000 0.888 535 R HN 0.723 nan 8.270 nan 0.000 0.444 536 T N -1.526 113.006 114.554 -0.036 0.000 2.754 536 T HA 0.249 4.599 4.350 0.000 0.000 0.296 536 T C -1.262 173.408 174.700 -0.049 0.000 1.205 536 T CA -0.347 61.732 62.100 -0.035 0.000 1.009 536 T CB 1.482 70.331 68.868 -0.033 0.000 1.368 536 T HN 0.398 nan 8.240 nan 0.000 0.509 537 N N 0.743 119.423 118.700 -0.032 0.000 2.782 537 N HA -0.129 4.611 4.740 0.000 0.000 0.251 537 N C 0.055 175.566 175.510 0.003 0.000 1.101 537 N CA 1.488 54.525 53.050 -0.021 0.000 0.764 537 N CB -1.913 36.548 38.487 -0.044 0.000 1.122 537 N HN 0.923 nan 8.380 nan 0.000 0.561 538 T N -2.435 112.119 114.554 -0.000 0.000 2.795 538 T HA 0.296 4.646 4.350 0.000 0.000 0.314 538 T C 0.179 174.910 174.700 0.053 0.000 1.069 538 T CA -0.494 61.621 62.100 0.024 0.000 1.071 538 T CB 0.885 69.755 68.868 0.003 0.000 0.988 538 T HN 0.203 nan 8.240 nan 0.000 0.543 539 F N 1.466 121.346 119.950 -0.117 0.000 2.411 539 F HA 0.450 4.977 4.527 -0.000 0.000 0.352 539 F C 0.585 176.273 175.800 -0.185 0.000 1.123 539 F CA -1.386 56.475 58.000 -0.231 0.000 1.044 539 F CB 1.102 39.745 39.000 -0.594 0.000 1.135 539 F HN 0.630 nan 8.300 nan 0.000 0.461 540 R N 8.388 128.453 120.500 -0.725 0.000 2.248 540 R HA 0.322 4.662 4.340 0.000 0.000 0.337 540 R C -2.457 173.397 176.300 -0.744 0.000 1.085 540 R CA -1.610 54.177 56.100 -0.523 0.000 0.934 540 R CB 0.304 30.405 30.300 -0.331 0.000 1.034 540 R HN 0.430 nan 8.270 nan 0.000 0.465 541 P HA 0.161 nan 4.420 nan 0.000 0.278 541 P C -1.110 176.282 177.300 0.153 0.000 1.266 541 P CA -0.324 62.763 63.100 -0.021 0.000 0.807 541 P CB 1.389 33.139 31.700 0.084 0.000 1.094 542 T N -1.458 113.247 114.554 0.252 0.000 2.879 542 T HA 0.347 4.697 4.350 0.000 0.000 0.290 542 T C -0.188 174.597 174.700 0.141 0.000 0.993 542 T CA -0.962 61.219 62.100 0.135 0.000 0.975 542 T CB 0.667 69.562 68.868 0.045 0.000 0.981 542 T HN 0.159 nan 8.240 nan 0.000 0.439 543 L N 5.544 126.670 121.223 -0.163 0.000 2.601 543 L HA 0.294 4.635 4.340 0.000 0.000 0.277 543 L C -1.706 175.142 176.870 -0.037 0.000 1.219 543 L CA -1.072 53.610 54.840 -0.264 0.000 0.915 543 L CB -0.287 41.538 42.059 -0.390 0.000 1.160 543 L HN 0.575 nan 8.230 nan 0.000 0.494 544 P HA 0.067 nan 4.420 nan 0.000 0.268 544 P C -0.913 176.399 177.300 0.020 0.000 1.205 544 P CA -0.230 62.903 63.100 0.054 0.000 0.771 544 P CB 0.452 32.200 31.700 0.080 0.000 0.858 545 E N 0.912 121.129 120.200 0.027 0.000 2.313 545 E HA 0.093 4.443 4.350 0.000 0.000 0.276 545 E C 0.166 176.782 176.600 0.027 0.000 1.031 545 E CA -0.450 55.962 56.400 0.020 0.000 0.857 545 E CB 0.704 30.418 29.700 0.023 0.000 1.040 545 E HN 0.450 nan 8.360 nan 0.000 0.408 546 E N 2.130 122.345 120.200 0.024 0.000 2.414 546 E HA -0.032 4.318 4.350 0.000 0.000 0.263 546 E C 0.125 176.747 176.600 0.037 0.000 1.000 546 E CA -0.156 56.262 56.400 0.031 0.000 0.914 546 E CB 0.776 30.503 29.700 0.044 0.000 0.948 546 E HN 0.298 nan 8.360 nan 0.000 0.444 547 V N 2.574 122.507 119.914 0.032 0.000 2.922 547 V HA 0.039 4.160 4.120 0.000 0.000 0.242 547 V C 0.120 176.231 176.094 0.028 0.000 1.094 547 V CA 0.579 62.898 62.300 0.032 0.000 1.106 547 V CB 0.856 32.702 31.823 0.038 0.000 0.799 547 V HN 0.513 nan 8.190 nan 0.000 0.474 548 S N 0.796 116.516 115.700 0.032 0.000 2.596 548 S HA 0.666 5.136 4.470 0.000 0.000 0.318 548 S C 0.151 174.850 174.600 0.164 0.000 1.097 548 S CA -0.476 57.770 58.200 0.076 0.000 1.080 548 S CB 1.286 64.520 63.200 0.057 0.000 0.991 548 S HN 0.518 nan 8.310 nan 0.000 0.471 549 R N 3.763 124.307 120.500 0.072 0.000 2.490 549 R HA 0.689 5.029 4.340 0.000 0.000 0.278 549 R C -2.772 173.411 176.300 -0.195 0.000 1.069 549 R CA -1.637 54.480 56.100 0.028 0.000 1.080 549 R CB -1.166 29.154 30.300 0.033 0.000 1.030 549 R HN 0.517 nan 8.270 nan 0.000 0.491 550 P HA 0.265 nan 4.420 nan 0.000 0.278 550 P C -1.086 175.807 177.300 -0.678 0.000 1.258 550 P CA -0.732 61.764 63.100 -1.006 0.000 0.811 550 P CB 0.873 32.002 31.700 -0.952 0.000 1.063 551 N N 0.237 118.526 118.700 -0.686 0.000 2.492 551 N HA 0.234 4.974 4.740 0.000 0.000 0.289 551 N C -0.786 174.384 175.510 -0.567 0.000 1.133 551 N CA -0.087 52.725 53.050 -0.398 0.000 0.961 551 N CB 0.632 38.988 38.487 -0.218 0.000 1.186 551 N HN 0.406 nan 8.380 nan 0.000 0.493 552 Y N 0.613 120.891 120.300 -0.037 0.000 2.863 552 Y HA 0.289 4.839 4.550 0.000 0.000 0.348 552 Y C -1.740 174.177 175.900 0.028 0.000 1.028 552 Y CA -1.790 56.318 58.100 0.014 0.000 1.213 552 Y CB 0.372 38.877 38.460 0.075 0.000 1.120 552 Y HN 0.241 nan 8.280 nan 0.000 0.598 553 P HA 0.186 nan 4.420 nan 0.000 0.271 553 P C 0.482 177.847 177.300 0.108 0.000 1.226 553 P CA 0.183 63.340 63.100 0.094 0.000 0.765 553 P CB 1.630 33.378 31.700 0.080 0.000 0.835 554 G N 2.743 111.602 108.800 0.098 0.000 2.532 554 G HA2 0.439 4.399 3.960 0.000 0.000 0.291 554 G HA3 0.439 4.399 3.960 0.000 0.000 0.291 554 G C 0.023 174.971 174.900 0.081 0.000 1.349 554 G CA -1.062 44.089 45.100 0.086 0.000 1.038 554 G HN 0.492 nan 8.290 nan 0.000 0.518 555 I N 0.139 120.752 120.570 0.071 0.000 2.683 555 I HA 0.036 4.207 4.170 0.000 0.000 0.286 555 I C 0.473 176.591 176.117 0.001 0.000 1.175 555 I CA 0.895 62.240 61.300 0.074 0.000 1.429 555 I CB 0.802 38.842 38.000 0.066 0.000 1.371 555 I HN 0.412 nan 8.210 nan 0.000 0.569 556 M N 6.066 125.637 119.600 -0.048 0.000 2.346 556 M HA 0.240 4.721 4.480 0.000 0.000 0.417 556 M C -1.091 174.753 176.300 -0.760 0.000 1.015 556 M CA -0.003 55.070 55.300 -0.380 0.000 0.968 556 M CB 0.667 32.979 32.600 -0.481 0.000 1.859 556 M HN 0.384 nan 8.290 nan 0.000 0.623 557 Y N -0.334 120.014 120.300 0.080 0.000 2.597 557 Y HA 0.715 5.265 4.550 0.000 0.000 0.340 557 Y C -1.000 174.984 175.900 0.140 0.000 1.097 557 Y CA -1.375 56.767 58.100 0.071 0.000 1.037 557 Y CB 1.398 39.882 38.460 0.040 0.000 1.305 557 Y HN -0.200 nan 8.280 nan 0.000 0.463 558 L N 0.690 122.081 121.223 0.281 0.000 2.330 558 L HA 0.595 4.935 4.340 0.000 0.000 0.271 558 L C 1.432 178.511 176.870 0.347 0.000 1.013 558 L CA -0.385 54.597 54.840 0.237 0.000 0.816 558 L CB 1.114 43.252 42.059 0.131 0.000 1.287 558 L HN 0.863 nan 8.230 nan 0.000 0.435 559 Q N 0.920 120.893 119.800 0.289 0.000 2.217 559 Q HA -0.229 4.111 4.340 0.000 0.000 0.209 559 Q C 1.922 178.109 176.000 0.311 0.000 0.988 559 Q CA 2.379 58.364 55.803 0.303 0.000 0.878 559 Q CB -1.404 27.416 28.738 0.138 0.000 0.909 559 Q HN 0.886 nan 8.270 nan 0.000 0.424 560 S N 0.182 115.996 115.700 0.190 0.000 2.474 560 S HA -0.104 4.366 4.470 0.000 0.000 0.235 560 S C 1.050 175.702 174.600 0.087 0.000 0.997 560 S CA 0.983 59.255 58.200 0.121 0.000 0.949 560 S CB -0.013 63.232 63.200 0.075 0.000 0.766 560 S HN 0.673 nan 8.310 nan 0.000 0.517 561 D N 0.598 121.038 120.400 0.066 0.000 2.363 561 D HA 0.178 4.818 4.640 0.000 0.000 0.220 561 D C -0.527 175.571 176.300 -0.335 0.000 0.994 561 D CA 0.396 54.303 54.000 -0.154 0.000 0.890 561 D CB -0.107 40.548 40.800 -0.242 0.000 0.906 561 D HN 0.423 nan 8.370 nan 0.000 0.530 562 F N 0.570 120.521 119.950 0.001 0.000 2.436 562 F HA 0.257 4.784 4.527 0.000 0.000 0.340 562 F C 0.563 176.359 175.800 -0.007 0.000 1.113 562 F CA -0.984 57.005 58.000 -0.018 0.000 1.022 562 F CB 1.529 40.522 39.000 -0.011 0.000 1.128 562 F HN -0.376 nan 8.300 nan 0.000 0.466 563 D N 4.287 124.770 120.400 0.139 0.000 2.502 563 D HA 0.321 4.962 4.640 0.000 0.000 0.301 563 D C 0.080 176.433 176.300 0.087 0.000 1.202 563 D CA 0.125 54.178 54.000 0.087 0.000 0.878 563 D CB 0.234 41.053 40.800 0.032 0.000 1.062 563 D HN 0.494 nan 8.370 nan 0.000 0.499 564 L N 0.121 121.412 121.223 0.112 0.000 2.701 564 L HA 0.377 4.717 4.340 0.000 0.000 0.238 564 L C 1.672 178.585 176.870 0.072 0.000 1.106 564 L CA 0.318 55.215 54.840 0.096 0.000 0.898 564 L CB 0.522 42.653 42.059 0.120 0.000 1.188 564 L HN 0.459 nan 8.230 nan 0.000 0.508 565 G N -0.136 108.704 108.800 0.065 0.000 2.175 565 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 565 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 565 G C 0.285 175.219 174.900 0.055 0.000 0.982 565 G CA -0.028 45.107 45.100 0.058 0.000 0.641 565 G HN 0.296 nan 8.290 nan 0.000 0.527 566 c N 1.531 120.160 118.600 0.048 0.000 2.534 566 c HA 0.804 5.374 4.570 0.000 0.000 0.385 566 c C 0.871 174.983 174.090 0.036 0.000 1.264 566 c CA 0.563 56.911 56.329 0.033 0.000 2.342 566 c CB 0.638 43.156 42.510 0.012 0.000 2.564 566 c HN 0.977 nan 8.230 nan 0.000 0.603 567 T N -0.853 113.723 114.554 0.036 0.000 2.952 567 T HA 0.501 4.851 4.350 0.000 0.000 0.305 567 T C -1.099 173.617 174.700 0.027 0.000 1.064 567 T CA -0.565 61.556 62.100 0.035 0.000 1.008 567 T CB 1.057 69.949 68.868 0.040 0.000 1.078 567 T HN 0.812 nan 8.240 nan 0.000 0.459 568 c N 2.999 121.613 118.600 0.024 0.000 2.344 568 c HA 0.506 5.076 4.570 0.000 0.000 0.326 568 c C 0.359 174.472 174.090 0.038 0.000 1.201 568 c CA -0.539 55.797 56.329 0.011 0.000 1.410 568 c CB -0.242 42.282 42.510 0.022 0.000 2.070 568 c HN 0.983 nan 8.230 nan 0.000 0.445 569 D N 2.873 123.297 120.400 0.040 0.000 2.332 569 D HA 0.148 4.788 4.640 0.000 0.000 0.244 569 D C 0.216 176.584 176.300 0.114 0.000 1.136 569 D CA 1.129 55.169 54.000 0.068 0.000 0.884 569 D CB 0.073 40.914 40.800 0.069 0.000 0.906 569 D HN 0.669 nan 8.370 nan 0.000 0.520 570 D N -0.451 120.040 120.400 0.152 0.000 2.596 570 D HA 0.464 5.104 4.640 0.000 0.000 0.262 570 D C -0.812 175.585 176.300 0.163 0.000 1.210 570 D CA -0.535 53.582 54.000 0.195 0.000 0.873 570 D CB 2.074 43.123 40.800 0.416 0.000 1.408 570 D HN -0.243 nan 8.370 nan 0.000 0.441 581 L N 2.074 123.222 121.223 -0.124 0.000 2.559 581 L HA 0.300 4.640 4.340 0.000 0.000 0.274 581 L C 0.875 177.617 176.870 -0.214 0.000 1.205 581 L CA 1.795 56.477 54.840 -0.263 0.000 0.907 581 L CB -0.738 41.102 42.059 -0.365 0.000 1.153 581 L HN 0.763 nan 8.230 nan 0.000 0.490 582 H N 0.352 119.384 119.070 -0.063 0.000 2.992 582 H HA -0.174 4.382 4.556 0.000 0.000 0.266 582 H C 0.342 175.664 175.328 -0.009 0.000 1.200 582 H CA 0.581 56.574 56.048 -0.091 0.000 1.135 582 H CB -1.888 27.785 29.762 -0.148 0.000 1.282 582 H HN 0.821 nan 8.280 nan 0.000 0.351 583 T N -2.303 112.273 114.554 0.036 0.000 2.849 583 T HA 0.250 4.600 4.350 0.000 0.000 0.284 583 T C 1.328 175.883 174.700 -0.241 0.000 1.004 583 T CA -0.197 61.871 62.100 -0.053 0.000 1.021 583 T CB 2.746 71.568 68.868 -0.076 0.000 1.013 583 T HN 0.410 nan 8.240 nan 0.000 0.527 584 K N 1.721 121.786 120.400 -0.558 0.000 1.964 584 K HA 0.066 4.386 4.320 0.000 0.000 0.218 584 K C 1.327 177.646 176.600 -0.469 0.000 1.043 584 K CA 1.010 56.642 56.287 -1.093 0.000 0.966 584 K CB -1.164 30.720 32.500 -1.028 0.000 0.739 584 K HN 0.835 nan 8.250 nan 0.000 0.443 585 G N 0.361 108.990 108.800 -0.285 0.000 2.321 585 G HA2 -0.004 3.956 3.960 0.000 0.000 0.237 585 G HA3 -0.004 3.956 3.960 0.000 0.000 0.237 585 G C 0.119 174.961 174.900 -0.096 0.000 1.282 585 G CA 0.250 45.262 45.100 -0.146 0.000 0.886 585 G HN 0.523 nan 8.290 nan 0.000 0.528 586 S N 0.898 116.566 115.700 -0.053 0.000 2.537 586 S HA 0.128 4.598 4.470 0.000 0.000 0.246 586 S C 1.537 176.127 174.600 -0.016 0.000 1.036 586 S CA 0.091 58.265 58.200 -0.044 0.000 1.041 586 S CB 0.618 63.796 63.200 -0.037 0.000 0.799 586 S HN 0.452 nan 8.310 nan 0.000 0.456 587 T N 2.387 116.954 114.554 0.022 0.000 2.720 587 T HA -0.138 4.212 4.350 0.000 0.000 0.268 587 T C 1.581 176.397 174.700 0.194 0.000 1.037 587 T CA 1.854 64.050 62.100 0.160 0.000 1.144 587 T CB -0.262 68.769 68.868 0.272 0.000 0.864 587 T HN 0.720 nan 8.240 nan 0.000 0.444 588 E N 0.901 121.209 120.200 0.179 0.000 2.106 588 E HA -0.188 4.162 4.350 0.000 0.000 0.192 588 E C 2.172 178.835 176.600 0.105 0.000 0.984 588 E CA 1.324 57.855 56.400 0.219 0.000 0.806 588 E CB 0.017 29.857 29.700 0.234 0.000 0.750 588 E HN 0.761 nan 8.360 nan 0.000 0.458 589 E N -0.251 119.970 120.200 0.034 0.000 2.358 589 E HA -0.121 4.229 4.350 0.000 0.000 0.195 589 E C 2.000 178.566 176.600 -0.058 0.000 1.010 589 E CA 0.468 56.862 56.400 -0.010 0.000 0.856 589 E CB 0.069 29.758 29.700 -0.018 0.000 0.795 589 E HN 0.109 nan 8.360 nan 0.000 0.504 590 R N -0.635 119.797 120.500 -0.113 0.000 2.128 590 R HA 0.113 4.453 4.340 0.000 0.000 0.211 590 R C 1.528 177.662 176.300 -0.276 0.000 1.067 590 R CA 1.019 56.959 56.100 -0.266 0.000 1.010 590 R CB 0.134 30.156 30.300 -0.463 0.000 0.922 590 R HN 0.327 nan 8.270 nan 0.000 0.457 591 H N -1.280 117.861 119.070 0.118 0.000 2.874 591 H HA 0.166 4.722 4.556 0.000 0.000 0.264 591 H C -0.142 175.273 175.328 0.144 0.000 1.007 591 H CA 0.125 56.274 56.048 0.169 0.000 1.207 591 H CB 0.849 30.762 29.762 0.250 0.000 1.487 591 H HN -0.044 nan 8.280 nan 0.000 0.505 592 L N 2.049 123.375 121.223 0.173 0.000 2.679 592 L HA 0.228 4.569 4.340 0.000 0.000 0.238 592 L C 0.781 177.599 176.870 -0.086 0.000 1.330 592 L CA 0.055 54.949 54.840 0.090 0.000 0.935 592 L CB -0.078 42.085 42.059 0.174 0.000 1.243 592 L HN 0.034 nan 8.230 nan 0.000 0.484 593 L N 0.935 121.959 121.223 -0.331 0.000 2.275 593 L HA -0.096 4.244 4.340 0.000 0.000 0.215 593 L C 0.360 176.846 176.870 -0.640 0.000 1.119 593 L CA 1.276 55.741 54.840 -0.625 0.000 0.790 593 L CB -0.403 41.053 42.059 -1.005 0.000 0.919 593 L HN 0.552 nan 8.230 nan 0.000 0.443 594 Y N -0.563 119.796 120.300 0.098 0.000 2.716 594 Y HA 0.569 5.120 4.550 0.000 0.000 0.260 594 Y C 1.043 176.986 175.900 0.072 0.000 1.141 594 Y CA -0.453 57.720 58.100 0.121 0.000 1.168 594 Y CB 0.012 38.606 38.460 0.223 0.000 1.189 594 Y HN 0.077 nan 8.280 nan 0.000 0.549 595 G N 1.703 110.563 108.800 0.100 0.000 2.730 595 G HA2 -0.191 3.769 3.960 0.000 0.000 0.686 595 G HA3 -0.191 3.769 3.960 0.000 0.000 0.686 595 G C -0.529 174.376 174.900 0.008 0.000 1.343 595 G CA -0.842 44.302 45.100 0.073 0.000 0.826 595 G HN 0.572 nan 8.290 nan 0.000 0.582 596 R N 0.523 121.024 120.500 0.002 0.000 2.441 596 R HA 0.600 4.940 4.340 0.000 0.000 0.284 596 R C -2.433 173.746 176.300 -0.203 0.000 1.070 596 R CA -1.181 54.844 56.100 -0.125 0.000 1.047 596 R CB 0.374 30.736 30.300 0.104 0.000 1.016 596 R HN 0.356 nan 8.270 nan 0.000 0.477 597 P HA -0.030 nan 4.420 nan 0.000 0.264 597 P C -0.837 176.317 177.300 -0.243 0.000 1.183 597 P CA 0.211 63.009 63.100 -0.504 0.000 0.763 597 P CB 0.753 31.922 31.700 -0.885 0.000 0.807 598 A N 3.530 126.233 122.820 -0.196 0.000 2.366 598 A HA 0.349 4.669 4.320 0.000 0.000 0.272 598 A C -0.125 177.394 177.584 -0.108 0.000 1.135 598 A CA -0.418 51.571 52.037 -0.080 0.000 0.804 598 A CB 0.159 19.130 19.000 -0.048 0.000 1.064 598 A HN 0.382 nan 8.150 nan 0.000 0.499 599 V N 4.273 124.145 119.914 -0.070 0.000 2.408 599 V HA 0.127 4.247 4.120 0.000 0.000 0.267 599 V C 0.622 176.672 176.094 -0.074 0.000 1.047 599 V CA 0.122 62.335 62.300 -0.145 0.000 0.937 599 V CB 0.726 32.341 31.823 -0.348 0.000 0.999 599 V HN 0.783 nan 8.190 nan 0.000 0.472 600 L N 6.423 127.671 121.223 0.041 0.000 2.728 600 L HA 0.327 4.667 4.340 0.000 0.000 0.235 600 L C -0.018 176.977 176.870 0.208 0.000 1.197 600 L CA -0.111 54.791 54.840 0.104 0.000 0.992 600 L CB -0.639 41.484 42.059 0.107 0.000 1.263 600 L HN 0.797 nan 8.230 nan 0.000 0.484 601 Y N -3.402 116.921 120.300 0.037 0.000 2.677 601 Y HA 0.781 5.331 4.550 0.000 0.000 0.334 601 Y C 0.013 175.951 175.900 0.065 0.000 1.154 601 Y CA -1.907 56.223 58.100 0.050 0.000 1.070 601 Y CB 0.551 39.043 38.460 0.053 0.000 1.294 601 Y HN -0.210 nan 8.280 nan 0.000 0.475 602 R N 0.758 121.348 120.500 0.151 0.000 2.234 602 R HA 0.737 5.078 4.340 0.000 0.000 0.324 602 R C -0.518 175.811 176.300 0.049 0.000 1.054 602 R CA 0.264 56.395 56.100 0.053 0.000 0.912 602 R CB 0.267 30.616 30.300 0.081 0.000 1.030 602 R HN 1.054 nan 8.270 nan 0.000 0.455 603 T N -0.469 114.061 114.554 -0.041 0.000 2.677 603 T HA 0.549 4.900 4.350 0.000 0.000 0.305 603 T C -1.396 173.311 174.700 0.012 0.000 1.569 603 T CA 0.269 62.364 62.100 -0.008 0.000 0.984 603 T CB 1.583 70.421 68.868 -0.049 0.000 1.629 603 T HN 0.937 nan 8.240 nan 0.000 0.494 604 S N 1.323 117.029 115.700 0.011 0.000 2.605 604 S HA 0.795 5.265 4.470 0.000 0.000 0.308 604 S C -1.438 173.181 174.600 0.033 0.000 1.113 604 S CA -0.554 57.631 58.200 -0.024 0.000 1.049 604 S CB 0.191 63.310 63.200 -0.135 0.000 1.001 604 S HN 0.755 nan 8.310 nan 0.000 0.480 605 Y N 1.072 121.285 120.300 -0.146 0.000 2.625 605 Y HA 0.786 5.336 4.550 0.000 0.000 0.338 605 Y C -1.527 174.296 175.900 -0.127 0.000 1.123 605 Y CA -1.146 56.876 58.100 -0.129 0.000 1.046 605 Y CB 1.021 39.412 38.460 -0.115 0.000 1.299 605 Y HN 0.348 nan 8.280 nan 0.000 0.464 606 D N 2.322 122.672 120.400 -0.084 0.000 2.481 606 D HA 0.371 5.011 4.640 0.000 0.000 0.244 606 D C -0.466 175.715 176.300 -0.197 0.000 1.057 606 D CA -0.279 53.592 54.000 -0.214 0.000 0.848 606 D CB 2.654 43.426 40.800 -0.046 0.000 1.388 606 D HN 0.466 nan 8.370 nan 0.000 0.475 607 I N 1.869 122.203 120.570 -0.392 0.000 2.474 607 I HA 0.240 4.411 4.170 0.000 0.000 0.287 607 I C 0.206 176.109 176.117 -0.357 0.000 1.048 607 I CA -0.187 60.901 61.300 -0.354 0.000 1.383 607 I CB 0.283 38.030 38.000 -0.422 0.000 1.412 607 I HN 0.184 nan 8.210 nan 0.000 0.531 608 L N 7.099 128.094 121.223 -0.380 0.000 2.409 608 L HA 0.431 4.771 4.340 0.000 0.000 0.272 608 L C -1.074 175.505 176.870 -0.484 0.000 0.980 608 L CA -0.806 53.818 54.840 -0.360 0.000 0.826 608 L CB 1.662 43.648 42.059 -0.120 0.000 1.268 608 L HN 0.344 nan 8.230 nan 0.000 0.407 609 Y N 0.779 120.905 120.300 -0.289 0.000 2.387 609 Y HA 0.635 5.185 4.550 0.000 0.000 0.330 609 Y C -0.109 175.371 175.900 -0.701 0.000 1.133 609 Y CA -0.553 57.396 58.100 -0.252 0.000 1.152 609 Y CB 1.459 39.881 38.460 -0.064 0.000 1.215 609 Y HN 0.473 nan 8.280 nan 0.000 0.466 610 H N -2.071 116.905 119.070 -0.156 0.000 3.037 610 H HA 0.267 4.823 4.556 0.000 0.000 0.355 610 H C 0.505 175.763 175.328 -0.117 0.000 1.263 610 H CA -0.762 55.131 56.048 -0.258 0.000 1.129 610 H CB 1.248 30.403 29.762 -1.011 0.000 1.861 610 H HN 0.539 nan 8.280 nan 0.000 0.546 611 T N -0.117 114.491 114.554 0.090 0.000 2.699 611 T HA -0.144 4.206 4.350 0.000 0.000 0.268 611 T C 0.649 175.446 174.700 0.162 0.000 1.036 611 T CA 2.035 64.206 62.100 0.118 0.000 1.147 611 T CB -0.135 68.795 68.868 0.104 0.000 0.862 611 T HN 0.560 nan 8.240 nan 0.000 0.446 612 D N -0.156 120.195 120.400 -0.081 0.000 2.389 612 D HA 0.273 4.914 4.640 0.000 0.000 0.206 612 D C 0.040 175.762 176.300 -0.963 0.000 1.055 612 D CA 0.083 53.875 54.000 -0.347 0.000 0.856 612 D CB 0.406 40.979 40.800 -0.379 0.000 0.957 612 D HN 0.551 nan 8.370 nan 0.000 0.509 613 F N -1.009 118.458 119.950 -0.805 0.000 2.744 613 F HA 0.503 5.030 4.527 0.000 0.000 0.311 613 F C -1.387 174.408 175.800 -0.008 0.000 1.144 613 F CA -1.277 56.385 58.000 -0.564 0.000 0.938 613 F CB 1.458 39.998 39.000 -0.768 0.000 1.292 613 F HN -0.311 nan 8.300 nan 0.000 0.444 614 E N 1.403 121.769 120.200 0.278 0.000 2.312 614 E HA 0.768 5.118 4.350 0.000 0.000 0.267 614 E C -1.591 175.252 176.600 0.405 0.000 0.894 614 E CA -0.844 55.737 56.400 0.301 0.000 0.773 614 E CB 2.356 32.308 29.700 0.420 0.000 1.241 614 E HN 0.975 nan 8.360 nan 0.000 0.432 615 S N 1.153 116.903 115.700 0.083 0.000 2.588 615 S HA 0.714 5.184 4.470 0.000 0.000 0.275 615 S C -0.395 173.693 174.600 -0.854 0.000 1.130 615 S CA -0.693 57.324 58.200 -0.306 0.000 0.855 615 S CB 1.562 64.794 63.200 0.054 0.000 1.116 615 S HN 0.571 nan 8.310 nan 0.000 0.472 616 G N 1.081 108.941 108.800 -1.566 0.000 2.873 616 G HA2 0.455 4.416 3.960 0.000 0.000 0.340 616 G HA3 0.455 4.416 3.960 0.000 0.000 0.340 616 G C -1.146 173.537 174.900 -0.362 0.000 1.171 616 G CA -0.499 44.032 45.100 -0.948 0.000 1.113 616 G HN 0.675 nan 8.290 nan 0.000 0.471 617 Y N 3.289 123.489 120.300 -0.167 0.000 2.393 617 Y HA 0.484 5.035 4.550 0.000 0.000 0.338 617 Y C 0.665 176.598 175.900 0.055 0.000 1.029 617 Y CA -0.438 57.640 58.100 -0.037 0.000 1.239 617 Y CB 1.364 39.820 38.460 -0.007 0.000 1.170 617 Y HN 0.384 nan 8.280 nan 0.000 0.515 618 S N 4.801 120.222 115.700 -0.464 0.000 2.489 618 S HA 0.143 4.614 4.470 0.000 0.000 0.277 618 S C 0.641 174.992 174.600 -0.416 0.000 1.230 618 S CA -0.516 57.542 58.200 -0.236 0.000 1.053 618 S CB 0.497 63.705 63.200 0.012 0.000 0.955 618 S HN 0.917 nan 8.310 nan 0.000 0.488 619 E N 3.883 123.953 120.200 -0.216 0.000 2.481 619 E HA -0.006 4.344 4.350 0.000 0.000 0.195 619 E C 0.996 177.452 176.600 -0.240 0.000 1.047 619 E CA 0.369 56.600 56.400 -0.282 0.000 0.867 619 E CB 0.119 29.380 29.700 -0.732 0.000 0.858 619 E HN 0.660 nan 8.360 nan 0.000 0.513 620 I N -0.638 119.783 120.570 -0.249 0.000 2.729 620 I HA -0.050 4.120 4.170 0.000 0.000 0.256 620 I C 1.426 177.246 176.117 -0.495 0.000 1.115 620 I CA 0.966 62.028 61.300 -0.398 0.000 1.446 620 I CB -0.496 37.137 38.000 -0.612 0.000 1.176 620 I HN 0.055 nan 8.210 nan 0.000 0.446 621 F N 0.763 120.663 119.950 -0.083 0.000 2.727 621 F HA 0.333 4.861 4.527 0.001 0.000 0.302 621 F C 1.156 176.935 175.800 -0.034 0.000 1.097 621 F CA 0.021 57.974 58.000 -0.079 0.000 1.330 621 F CB -0.174 38.745 39.000 -0.134 0.000 1.084 621 F HN -0.141 nan 8.300 nan 0.000 0.578 622 L N 0.637 121.855 121.223 -0.008 0.000 3.898 622 L HA -0.259 4.081 4.340 0.000 0.000 0.407 622 L C -0.342 176.544 176.870 0.026 0.000 1.207 622 L CA 0.355 55.216 54.840 0.035 0.000 0.931 622 L CB -2.067 40.105 42.059 0.188 0.000 2.014 622 L HN 0.458 nan 8.230 nan 0.000 0.858 623 M N -4.392 115.049 119.600 -0.266 0.000 2.790 623 M HA 0.635 5.115 4.480 0.000 0.000 0.272 623 M C -3.017 173.188 176.300 -0.159 0.000 1.168 623 M CA -1.730 53.555 55.300 -0.026 0.000 0.829 623 M CB 1.767 34.476 32.600 0.183 0.000 1.675 623 M HN -0.325 nan 8.290 nan 0.000 0.505 624 P HA 0.189 nan 4.420 nan 0.000 0.268 624 P C 0.252 177.580 177.300 0.046 0.000 1.204 624 P CA -0.127 62.989 63.100 0.027 0.000 0.768 624 P CB 0.541 32.306 31.700 0.109 0.000 0.842 625 L N 1.798 123.008 121.223 -0.022 0.000 2.313 625 L HA 0.080 4.420 4.340 0.000 0.000 0.214 625 L C 0.675 177.790 176.870 0.408 0.000 1.119 625 L CA 0.771 55.706 54.840 0.158 0.000 0.809 625 L CB -0.330 41.790 42.059 0.102 0.000 0.933 625 L HN 0.541 nan 8.230 nan 0.000 0.449 626 W N -2.115 119.349 121.300 0.273 0.000 3.419 626 W HA 0.450 5.110 4.660 0.001 0.000 0.298 626 W C -1.546 175.162 176.519 0.316 0.000 1.260 626 W CA -0.797 56.759 57.345 0.352 0.000 1.199 626 W CB 0.712 30.431 29.460 0.431 0.000 1.349 626 W HN -0.459 nan 8.180 nan 0.000 0.557 627 T N 2.314 117.285 114.554 0.695 0.000 2.881 627 T HA 0.379 4.729 4.350 0.000 0.000 0.291 627 T C -0.998 174.154 174.700 0.753 0.000 0.990 627 T CA -0.368 62.101 62.100 0.615 0.000 0.976 627 T CB 1.827 70.942 68.868 0.410 0.000 0.970 627 T HN 0.474 nan 8.240 nan 0.000 0.438 628 S N 3.087 119.272 115.700 0.808 0.000 2.502 628 S HA 0.844 5.314 4.470 0.000 0.000 0.304 628 S C -1.509 173.465 174.600 0.623 0.000 1.097 628 S CA -0.639 57.936 58.200 0.624 0.000 1.045 628 S CB 0.412 63.931 63.200 0.531 0.000 1.019 628 S HN 0.672 nan 8.310 nan 0.000 0.481 629 Y N -0.137 120.381 120.300 0.362 0.000 2.592 629 Y HA 0.662 5.212 4.550 0.001 0.000 0.334 629 Y C -0.880 175.255 175.900 0.391 0.000 1.136 629 Y CA -1.017 57.273 58.100 0.316 0.000 1.042 629 Y CB 0.669 39.288 38.460 0.264 0.000 1.325 629 Y HN 0.357 nan 8.280 nan 0.000 0.457 630 T N 4.696 119.655 114.554 0.674 0.000 2.823 630 T HA 0.637 4.987 4.350 0.000 0.000 0.279 630 T C -0.894 174.060 174.700 0.422 0.000 0.998 630 T CA -0.556 61.787 62.100 0.406 0.000 0.994 630 T CB 0.969 70.003 68.868 0.277 0.000 0.960 630 T HN 0.505 nan 8.240 nan 0.000 0.448 631 I N 3.457 124.194 120.570 0.279 0.000 2.410 631 I HA 0.286 4.456 4.170 0.000 0.000 0.286 631 I C 0.902 177.114 176.117 0.159 0.000 1.009 631 I CA -0.794 60.648 61.300 0.237 0.000 1.111 631 I CB 1.328 39.447 38.000 0.198 0.000 1.262 631 I HN 0.743 nan 8.210 nan 0.000 0.443 632 S N 5.428 121.213 115.700 0.141 0.000 2.593 632 S HA 0.162 4.632 4.470 0.000 0.000 0.269 632 S C 1.241 175.891 174.600 0.083 0.000 1.334 632 S CA -0.359 57.903 58.200 0.104 0.000 1.015 632 S CB 1.522 64.777 63.200 0.091 0.000 0.912 632 S HN 0.743 nan 8.310 nan 0.000 0.541 633 K N 0.774 121.218 120.400 0.074 0.000 2.160 633 K HA -0.219 4.101 4.320 0.000 0.000 0.206 633 K C 1.624 178.251 176.600 0.044 0.000 1.047 633 K CA 1.838 58.161 56.287 0.060 0.000 0.930 633 K CB -0.253 32.285 32.500 0.062 0.000 0.720 633 K HN 0.698 nan 8.250 nan 0.000 0.450 634 Q N 0.242 120.071 119.800 0.047 0.000 2.432 634 Q HA 0.219 4.559 4.340 0.000 0.000 0.205 634 Q C 0.223 176.245 176.000 0.036 0.000 0.945 634 Q CA 0.547 56.372 55.803 0.038 0.000 0.924 634 Q CB 0.353 29.115 28.738 0.040 0.000 1.016 634 Q HN 0.384 nan 8.270 nan 0.000 0.503 635 A N 1.360 124.208 122.820 0.046 0.000 2.555 635 A HA -0.010 4.310 4.320 0.000 0.000 0.233 635 A C 0.053 177.650 177.584 0.022 0.000 1.060 635 A CA 0.236 52.303 52.037 0.050 0.000 0.759 635 A CB 0.225 19.269 19.000 0.072 0.000 0.995 635 A HN 0.117 nan 8.150 nan 0.000 0.506 636 E N 0.821 121.036 120.200 0.024 0.000 2.191 636 E HA 0.413 4.764 4.350 0.000 0.000 0.278 636 E C -0.920 175.675 176.600 -0.010 0.000 0.972 636 E CA -0.649 55.754 56.400 0.004 0.000 0.804 636 E CB 1.821 31.530 29.700 0.015 0.000 1.110 636 E HN 0.370 nan 8.360 nan 0.000 0.394 637 V N 2.524 122.416 119.914 -0.036 0.000 2.465 637 V HA 0.223 4.343 4.120 0.000 0.000 0.279 637 V C 0.485 176.568 176.094 -0.018 0.000 1.045 637 V CA -0.264 62.006 62.300 -0.050 0.000 0.938 637 V CB 1.045 32.805 31.823 -0.106 0.000 0.986 637 V HN 0.755 nan 8.190 nan 0.000 0.467 638 S N 3.189 118.896 115.700 0.011 0.000 2.709 638 S HA 0.726 5.196 4.470 0.000 0.000 0.302 638 S C -0.268 174.382 174.600 0.083 0.000 1.127 638 S CA -0.760 57.456 58.200 0.028 0.000 0.905 638 S CB 1.911 65.122 63.200 0.018 0.000 1.151 638 S HN 0.559 nan 8.310 nan 0.000 0.510 639 S N 0.158 115.897 115.700 0.064 0.000 2.681 639 S HA 0.509 4.979 4.470 0.000 0.000 0.270 639 S C -0.107 174.502 174.600 0.015 0.000 1.209 639 S CA -0.796 57.463 58.200 0.098 0.000 0.988 639 S CB 0.072 63.306 63.200 0.058 0.000 1.006 639 S HN 0.640 nan 8.310 nan 0.000 0.558 640 I N 2.678 123.249 120.570 0.001 0.000 2.297 640 I HA 0.251 4.421 4.170 0.000 0.000 0.291 640 I C -2.247 173.824 176.117 -0.077 0.000 1.033 640 I CA -2.148 59.114 61.300 -0.063 0.000 1.253 640 I CB 0.872 38.836 38.000 -0.060 0.000 1.396 640 I HN 0.317 nan 8.210 nan 0.000 0.476 641 P HA 0.037 nan 4.420 nan 0.000 0.265 641 P C 0.971 178.128 177.300 -0.240 0.000 1.187 641 P CA 0.245 63.232 63.100 -0.188 0.000 0.766 641 P CB 0.622 32.123 31.700 -0.332 0.000 0.820 642 E N 2.493 122.652 120.200 -0.067 0.000 2.114 642 E HA -0.294 4.056 4.350 0.000 0.000 0.199 642 E C 1.606 178.169 176.600 -0.062 0.000 1.008 642 E CA 2.159 58.543 56.400 -0.027 0.000 0.810 642 E CB -1.685 28.042 29.700 0.045 0.000 0.739 642 E HN 0.826 nan 8.360 nan 0.000 0.456 643 H N -0.857 118.187 119.070 -0.044 0.000 2.559 643 H HA 0.247 4.803 4.556 0.000 0.000 0.273 643 H C 1.690 176.953 175.328 -0.109 0.000 1.000 643 H CA 1.027 57.043 56.048 -0.052 0.000 1.195 643 H CB -0.099 29.644 29.762 -0.033 0.000 1.368 643 H HN 0.415 nan 8.280 nan 0.000 0.592 644 L N 0.412 121.275 121.223 -0.601 0.000 2.766 644 L HA 0.100 4.440 4.340 0.000 0.000 0.242 644 L C 1.892 178.511 176.870 -0.418 0.000 1.136 644 L CA 0.029 54.483 54.840 -0.644 0.000 0.933 644 L CB 0.281 41.743 42.059 -0.995 0.000 1.241 644 L HN 0.075 nan 8.230 nan 0.000 0.522 645 T N 0.782 115.215 114.554 -0.202 0.000 2.620 645 T HA -0.272 4.078 4.350 0.000 0.000 0.267 645 T C 1.105 175.824 174.700 0.031 0.000 1.044 645 T CA 2.232 64.303 62.100 -0.048 0.000 1.161 645 T CB -0.317 68.541 68.868 -0.017 0.000 0.862 645 T HN 0.470 nan 8.240 nan 0.000 0.438 646 N N -0.160 118.551 118.700 0.019 0.000 2.279 646 N HA 0.244 4.984 4.740 0.000 0.000 0.226 646 N C -0.296 175.277 175.510 0.104 0.000 1.126 646 N CA -0.402 52.718 53.050 0.117 0.000 0.846 646 N CB 0.255 38.801 38.487 0.099 0.000 1.050 646 N HN 0.312 nan 8.380 nan 0.000 0.502 647 c N 1.586 120.164 118.600 -0.036 0.000 2.624 647 c HA 0.368 4.938 4.570 0.000 0.000 0.397 647 c C 0.164 174.326 174.090 0.119 0.000 1.331 647 c CA -0.225 56.029 56.329 -0.124 0.000 1.716 647 c CB -1.318 40.848 42.510 -0.573 0.000 2.452 647 c HN 0.062 nan 8.230 nan 0.000 0.586 648 V N 8.205 128.186 119.914 0.112 0.000 2.588 648 V HA 0.604 4.724 4.120 0.000 0.000 0.304 648 V C -0.185 175.951 176.094 0.070 0.000 1.042 648 V CA -0.560 61.826 62.300 0.144 0.000 0.877 648 V CB 1.796 33.635 31.823 0.027 0.000 0.996 648 V HN 0.844 nan 8.190 nan 0.000 0.425 649 R N 4.961 125.508 120.500 0.078 0.000 2.494 649 R HA 0.522 4.862 4.340 0.000 0.000 0.305 649 R C -2.764 173.487 176.300 -0.082 0.000 0.959 649 R CA -1.869 54.240 56.100 0.014 0.000 0.864 649 R CB 2.376 32.719 30.300 0.071 0.000 1.159 649 R HN 0.431 nan 8.270 nan 0.000 0.446 650 P HA -0.049 nan 4.420 nan 0.000 0.270 650 P C -0.902 176.117 177.300 -0.468 0.000 1.223 650 P CA 0.001 62.776 63.100 -0.540 0.000 0.785 650 P CB 0.697 31.766 31.700 -1.053 0.000 0.923 651 D N 1.301 121.411 120.400 -0.483 0.000 2.461 651 D HA 0.097 4.737 4.640 0.000 0.000 0.240 651 D C 1.156 177.426 176.300 -0.050 0.000 1.094 651 D CA -0.706 53.173 54.000 -0.200 0.000 0.868 651 D CB 0.926 41.638 40.800 -0.146 0.000 1.062 651 D HN 0.048 nan 8.370 nan 0.000 0.530 652 V N 2.681 122.635 119.914 0.066 0.000 3.140 652 V HA -0.112 4.008 4.120 0.000 0.000 0.269 652 V C 1.829 178.143 176.094 0.367 0.000 1.149 652 V CA 1.060 63.561 62.300 0.334 0.000 1.162 652 V CB -0.745 31.236 31.823 0.262 0.000 0.756 652 V HN 0.364 nan 8.190 nan 0.000 0.523 653 R N -0.073 120.556 120.500 0.214 0.000 2.200 653 R HA 0.281 4.621 4.340 0.000 0.000 0.208 653 R C 0.068 176.515 176.300 0.246 0.000 1.033 653 R CA 0.387 56.598 56.100 0.186 0.000 1.000 653 R CB 0.352 30.683 30.300 0.053 0.000 0.906 653 R HN 0.515 nan 8.270 nan 0.000 0.462 654 V N 1.368 121.421 119.914 0.231 0.000 2.531 654 V HA 0.127 4.248 4.120 0.000 0.000 0.301 654 V C 0.019 176.184 176.094 0.117 0.000 1.034 654 V CA -1.062 61.350 62.300 0.186 0.000 0.865 654 V CB 1.784 33.600 31.823 -0.012 0.000 0.995 654 V HN 0.240 nan 8.190 nan 0.000 0.424 655 S N 5.376 121.070 115.700 -0.011 0.000 2.558 655 S HA 0.144 4.614 4.470 0.000 0.000 0.288 655 S C -1.526 172.865 174.600 -0.348 0.000 1.318 655 S CA -0.351 57.467 58.200 -0.638 0.000 1.056 655 S CB 0.830 63.840 63.200 -0.318 0.000 0.853 655 S HN 0.584 nan 8.310 nan 0.000 0.505 656 P HA -0.007 nan 4.420 nan 0.000 0.218 656 P C 1.556 178.753 177.300 -0.170 0.000 1.146 656 P CA 1.574 64.515 63.100 -0.264 0.000 0.813 656 P CB -0.391 30.980 31.700 -0.547 0.000 0.778 657 G N -2.000 106.596 108.800 -0.341 0.000 2.484 657 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 657 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 657 G C 0.638 175.331 174.900 -0.346 0.000 1.130 657 G CA 0.097 44.956 45.100 -0.401 0.000 0.784 657 G HN 0.283 nan 8.290 nan 0.000 0.543 658 F N 1.207 121.177 119.950 0.033 0.000 2.850 658 F HA 0.419 4.946 4.527 0.001 0.000 0.306 658 F C 0.452 176.380 175.800 0.213 0.000 1.162 658 F CA -0.607 57.463 58.000 0.117 0.000 1.327 658 F CB 0.786 39.876 39.000 0.150 0.000 0.953 658 F HN -0.099 nan 8.300 nan 0.000 0.507 659 S N -0.195 115.674 115.700 0.282 0.000 2.568 659 S HA 0.409 4.879 4.470 0.000 0.000 0.293 659 S C -0.363 174.370 174.600 0.221 0.000 1.089 659 S CA -0.860 57.504 58.200 0.274 0.000 0.945 659 S CB 2.001 65.332 63.200 0.220 0.000 1.077 659 S HN 0.187 nan 8.310 nan 0.000 0.485 660 Q N 1.241 121.181 119.800 0.234 0.000 2.382 660 Q HA 0.325 4.665 4.340 0.000 0.000 0.229 660 Q C -0.299 175.794 176.000 0.155 0.000 1.006 660 Q CA -0.414 55.508 55.803 0.199 0.000 0.916 660 Q CB 0.377 29.274 28.738 0.264 0.000 1.235 660 Q HN 0.743 nan 8.270 nan 0.000 0.512 661 N N -1.608 117.168 118.700 0.127 0.000 2.284 661 N HA 0.252 4.992 4.740 0.000 0.000 0.300 661 N C -0.561 175.032 175.510 0.137 0.000 1.047 661 N CA -0.737 52.377 53.050 0.106 0.000 0.821 661 N CB 1.217 39.745 38.487 0.068 0.000 1.337 661 N HN 0.454 nan 8.380 nan 0.000 0.482 662 c N 1.033 119.708 118.600 0.125 0.000 2.456 662 c HA 0.021 4.591 4.570 0.000 0.000 0.279 662 c C 2.264 176.446 174.090 0.153 0.000 1.427 662 c CA -0.201 56.224 56.329 0.161 0.000 1.778 662 c CB -1.623 40.916 42.510 0.048 0.000 1.842 662 c HN 0.841 nan 8.230 nan 0.000 0.531 663 L N 2.370 123.647 121.223 0.090 0.000 2.012 663 L HA -0.130 4.210 4.340 0.000 0.000 0.210 663 L C 2.629 179.522 176.870 0.039 0.000 1.073 663 L CA 2.391 57.268 54.840 0.062 0.000 0.748 663 L CB -0.810 41.272 42.059 0.038 0.000 0.891 663 L HN 0.276 nan 8.230 nan 0.000 0.431 664 A N -1.340 121.468 122.820 -0.020 0.000 1.883 664 A HA -0.265 4.055 4.320 0.000 0.000 0.217 664 A C 2.134 179.629 177.584 -0.148 0.000 1.186 664 A CA 2.117 54.077 52.037 -0.128 0.000 0.624 664 A CB -1.177 17.670 19.000 -0.256 0.000 0.822 664 A HN 0.582 nan 8.150 nan 0.000 0.444 665 Y N -0.075 120.256 120.300 0.051 0.000 2.114 665 Y HA -0.143 4.407 4.550 0.000 0.000 0.284 665 Y C 3.033 178.988 175.900 0.092 0.000 1.143 665 Y CA 2.147 60.298 58.100 0.086 0.000 1.135 665 Y CB -0.611 37.919 38.460 0.117 0.000 0.980 665 Y HN 0.360 nan 8.280 nan 0.000 0.499 666 K N 0.701 121.237 120.400 0.227 0.000 2.127 666 K HA -0.261 4.059 4.320 0.000 0.000 0.208 666 K C 1.565 178.229 176.600 0.107 0.000 1.047 666 K CA 2.270 58.649 56.287 0.153 0.000 0.927 666 K CB -1.316 31.253 32.500 0.115 0.000 0.716 666 K HN 0.668 nan 8.250 nan 0.000 0.450 667 N N -0.396 118.351 118.700 0.078 0.000 2.409 667 N HA -0.062 4.678 4.740 0.000 0.000 0.174 667 N C -0.154 175.385 175.510 0.048 0.000 1.037 667 N CA 0.034 53.114 53.050 0.050 0.000 0.898 667 N CB 0.290 38.793 38.487 0.026 0.000 1.010 667 N HN 0.452 nan 8.380 nan 0.000 0.445 668 D N 1.702 122.133 120.400 0.051 0.000 2.336 668 D HA 0.009 4.649 4.640 0.000 0.000 0.249 668 D C 0.622 176.975 176.300 0.090 0.000 1.213 668 D CA -0.080 53.953 54.000 0.054 0.000 0.870 668 D CB 1.063 41.879 40.800 0.027 0.000 1.076 668 D HN 0.197 nan 8.370 nan 0.000 0.483 669 K N 2.174 122.623 120.400 0.082 0.000 2.439 669 K HA -0.060 4.260 4.320 0.000 0.000 0.197 669 K C 1.281 177.947 176.600 0.110 0.000 1.041 669 K CA 1.034 57.373 56.287 0.088 0.000 0.970 669 K CB 0.218 32.758 32.500 0.067 0.000 0.773 669 K HN 0.333 nan 8.250 nan 0.000 0.479 670 Q N -0.461 119.422 119.800 0.137 0.000 2.402 670 Q HA 0.219 4.559 4.340 0.000 0.000 0.231 670 Q C -0.104 176.058 176.000 0.270 0.000 0.888 670 Q CA -0.155 55.770 55.803 0.202 0.000 0.938 670 Q CB 0.408 29.284 28.738 0.230 0.000 1.086 670 Q HN 0.244 nan 8.270 nan 0.000 0.543 671 M N 0.670 120.375 119.600 0.174 0.000 2.157 671 M HA 0.273 4.753 4.480 0.000 0.000 0.354 671 M C -0.312 176.118 176.300 0.216 0.000 1.170 671 M CA -0.158 55.200 55.300 0.097 0.000 1.060 671 M CB 1.535 34.132 32.600 -0.005 0.000 1.615 671 M HN -0.086 nan 8.290 nan 0.000 0.460 672 S N 3.840 119.654 115.700 0.190 0.000 2.589 672 S HA 0.831 5.301 4.470 0.000 0.000 0.272 672 S C -1.301 173.375 174.600 0.127 0.000 1.096 672 S CA -0.360 57.941 58.200 0.169 0.000 0.985 672 S CB 0.586 63.789 63.200 0.005 0.000 1.278 672 S HN 0.728 nan 8.310 nan 0.000 0.528 673 Y N -2.016 118.144 120.300 -0.232 0.000 2.625 673 Y HA 0.826 5.376 4.550 0.000 0.000 0.338 673 Y C -0.279 175.347 175.900 -0.456 0.000 1.123 673 Y CA -0.665 57.149 58.100 -0.477 0.000 1.046 673 Y CB 0.785 38.636 38.460 -1.015 0.000 1.299 673 Y HN 0.807 nan 8.280 nan 0.000 0.464 674 G N 0.466 109.021 108.800 -0.408 0.000 2.788 674 G HA2 0.670 4.630 3.960 0.000 0.000 0.293 674 G HA3 0.670 4.630 3.960 0.000 0.000 0.293 674 G C -2.453 172.108 174.900 -0.565 0.000 1.392 674 G CA -1.080 43.724 45.100 -0.492 0.000 0.810 674 G HN 0.456 nan 8.290 nan 0.000 0.508 675 F N -0.340 119.648 119.950 0.063 0.000 2.532 675 F HA 0.506 5.033 4.527 0.000 0.000 0.321 675 F C 1.179 177.053 175.800 0.123 0.000 1.089 675 F CA -0.859 57.146 58.000 0.008 0.000 0.926 675 F CB 2.176 41.093 39.000 -0.139 0.000 1.168 675 F HN 0.236 nan 8.300 nan 0.000 0.459 676 L N 0.925 122.291 121.223 0.237 0.000 2.044 676 L HA -0.033 4.308 4.340 0.000 0.000 0.205 676 L C 0.525 177.472 176.870 0.128 0.000 1.075 676 L CA 1.053 56.054 54.840 0.268 0.000 0.747 676 L CB -0.073 42.100 42.059 0.190 0.000 0.903 676 L HN 0.430 nan 8.230 nan 0.000 0.435 677 F N 3.431 123.137 119.950 -0.406 0.000 2.424 677 F HA 0.304 4.831 4.527 0.000 0.000 0.356 677 F C -2.080 173.361 175.800 -0.598 0.000 1.110 677 F CA -3.237 54.278 58.000 -0.809 0.000 1.161 677 F CB 0.567 38.654 39.000 -1.521 0.000 1.115 677 F HN -0.205 nan 8.300 nan 0.000 0.507 678 P HA 0.184 nan 4.420 nan 0.000 0.282 678 P C -2.530 174.195 177.300 -0.959 0.000 1.262 678 P CA -1.549 61.076 63.100 -0.791 0.000 0.773 678 P CB 1.136 32.496 31.700 -0.567 0.000 0.879 679 P HA -0.137 nan 4.420 nan 0.000 0.221 679 P C 0.964 177.930 177.300 -0.558 0.000 1.145 679 P CA 1.403 64.046 63.100 -0.763 0.000 0.795 679 P CB -0.477 30.605 31.700 -1.029 0.000 0.775 680 Y N -1.397 118.676 120.300 -0.378 0.000 2.483 680 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 680 Y C 1.833 177.568 175.900 -0.275 0.000 1.143 680 Y CA 0.572 58.500 58.100 -0.286 0.000 1.289 680 Y CB -0.620 37.660 38.460 -0.299 0.000 0.983 680 Y HN -0.063 nan 8.280 nan 0.000 0.556 681 L N -0.457 120.606 121.223 -0.268 0.000 2.906 681 L HA 0.168 4.508 4.340 0.000 0.000 0.255 681 L C 0.757 177.621 176.870 -0.009 0.000 1.166 681 L CA -0.378 54.345 54.840 -0.196 0.000 0.977 681 L CB -0.009 41.851 42.059 -0.331 0.000 1.313 681 L HN 0.021 nan 8.230 nan 0.000 0.549 682 S N -0.422 115.287 115.700 0.015 0.000 2.554 682 S HA -0.072 4.398 4.470 0.000 0.000 0.290 682 S C 1.404 176.096 174.600 0.154 0.000 1.309 682 S CA 0.133 58.447 58.200 0.189 0.000 1.047 682 S CB 0.981 64.237 63.200 0.094 0.000 0.828 682 S HN 0.389 nan 8.310 nan 0.000 0.509 683 S N 1.104 116.911 115.700 0.179 0.000 2.461 683 S HA 0.166 4.636 4.470 0.000 0.000 0.228 683 S C 0.747 175.413 174.600 0.109 0.000 1.005 683 S CA 0.147 58.434 58.200 0.144 0.000 0.942 683 S CB -0.702 62.592 63.200 0.157 0.000 0.776 683 S HN 1.419 nan 8.310 nan 0.000 0.514 684 S N -0.364 115.403 115.700 0.112 0.000 2.607 684 S HA 0.596 5.066 4.470 0.000 0.000 0.273 684 S C -2.948 171.719 174.600 0.112 0.000 1.148 684 S CA -1.279 56.981 58.200 0.101 0.000 0.833 684 S CB 1.331 64.590 63.200 0.099 0.000 1.130 684 S HN -0.096 nan 8.310 nan 0.000 0.470 685 P HA -0.101 nan 4.420 nan 0.000 0.216 685 P C 1.398 178.838 177.300 0.234 0.000 1.150 685 P CA 1.403 64.584 63.100 0.136 0.000 0.837 685 P CB 0.100 31.879 31.700 0.132 0.000 0.786 686 E N -0.006 120.328 120.200 0.223 0.000 2.031 686 E HA -0.197 4.154 4.350 0.000 0.000 0.193 686 E C 1.911 178.700 176.600 0.314 0.000 0.994 686 E CA 1.370 57.932 56.400 0.271 0.000 0.800 686 E CB -0.617 29.163 29.700 0.133 0.000 0.752 686 E HN 0.066 nan 8.360 nan 0.000 0.447 687 A N 1.417 124.363 122.820 0.210 0.000 2.019 687 A HA -0.181 4.139 4.320 0.000 0.000 0.219 687 A C 2.106 179.821 177.584 0.219 0.000 1.164 687 A CA 1.494 53.649 52.037 0.197 0.000 0.644 687 A CB -0.521 18.571 19.000 0.154 0.000 0.805 687 A HN 0.248 nan 8.150 nan 0.000 0.449 688 K N -1.447 119.062 120.400 0.181 0.000 2.218 688 K HA -0.211 4.109 4.320 0.000 0.000 0.205 688 K C 1.476 178.142 176.600 0.111 0.000 1.046 688 K CA 1.614 57.949 56.287 0.080 0.000 0.933 688 K CB -0.317 32.189 32.500 0.010 0.000 0.728 688 K HN 0.617 nan 8.250 nan 0.000 0.454 689 Y N 1.199 121.627 120.300 0.213 0.000 2.274 689 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 689 Y C 1.995 178.033 175.900 0.231 0.000 1.145 689 Y CA 1.241 59.500 58.100 0.264 0.000 1.203 689 Y CB -0.054 38.502 38.460 0.160 0.000 0.984 689 Y HN 0.166 nan 8.280 nan 0.000 0.533 690 D N -0.341 120.259 120.400 0.334 0.000 2.182 690 D HA -0.164 4.477 4.640 0.000 0.000 0.201 690 D C 2.173 178.565 176.300 0.153 0.000 0.986 690 D CA 1.285 55.473 54.000 0.313 0.000 0.847 690 D CB -0.322 40.705 40.800 0.378 0.000 0.942 690 D HN 0.355 nan 8.370 nan 0.000 0.467 691 A N -0.417 122.363 122.820 -0.068 0.000 2.121 691 A HA -0.079 4.241 4.320 0.000 0.000 0.218 691 A C 1.480 178.450 177.584 -1.024 0.000 1.154 691 A CA 0.546 52.282 52.037 -0.501 0.000 0.679 691 A CB -0.643 17.969 19.000 -0.646 0.000 0.795 691 A HN 0.177 nan 8.150 nan 0.000 0.458 692 F N -0.250 119.419 119.950 -0.470 0.000 2.693 692 F HA 0.319 4.847 4.527 0.001 0.000 0.303 692 F C 0.540 176.238 175.800 -0.170 0.000 1.097 692 F CA -0.384 57.302 58.000 -0.523 0.000 1.330 692 F CB -0.120 38.712 39.000 -0.279 0.000 1.067 692 F HN -0.019 nan 8.300 nan 0.000 0.565 693 L N 0.204 121.445 121.223 0.030 0.000 2.483 693 L HA -0.047 4.293 4.340 0.000 0.000 0.276 693 L C 1.729 178.664 176.870 0.109 0.000 1.213 693 L CA -0.101 54.785 54.840 0.076 0.000 0.843 693 L CB 0.795 42.906 42.059 0.087 0.000 1.107 693 L HN -0.059 nan 8.230 nan 0.000 0.487 694 V N 1.892 121.845 119.914 0.064 0.000 3.078 694 V HA -0.185 3.935 4.120 0.000 0.000 0.265 694 V C 1.979 178.147 176.094 0.123 0.000 1.122 694 V CA 2.209 64.559 62.300 0.082 0.000 1.141 694 V CB -0.376 31.458 31.823 0.018 0.000 0.735 694 V HN 1.075 nan 8.190 nan 0.000 0.498 695 T N -2.674 111.917 114.554 0.062 0.000 3.107 695 T HA 0.064 4.414 4.350 0.000 0.000 0.249 695 T C 1.301 176.137 174.700 0.226 0.000 1.096 695 T CA 0.768 62.895 62.100 0.046 0.000 1.012 695 T CB -0.324 68.361 68.868 -0.305 0.000 0.977 695 T HN 0.464 nan 8.240 nan 0.000 0.527 696 N N 1.062 119.885 118.700 0.205 0.000 2.184 696 N HA 0.225 4.965 4.740 0.000 0.000 0.206 696 N C 0.348 176.052 175.510 0.323 0.000 1.151 696 N CA -0.455 52.709 53.050 0.189 0.000 0.878 696 N CB 0.046 38.536 38.487 0.006 0.000 1.014 696 N HN 0.657 nan 8.380 nan 0.000 0.512 697 M N 0.737 120.525 119.600 0.314 0.000 2.277 697 M HA 0.526 5.006 4.480 0.000 0.000 0.350 697 M C -0.805 175.546 176.300 0.085 0.000 1.180 697 M CA -0.670 54.728 55.300 0.163 0.000 1.103 697 M CB 1.613 34.225 32.600 0.020 0.000 1.577 697 M HN -0.140 nan 8.290 nan 0.000 0.459 698 V N 0.619 120.511 119.914 -0.036 0.000 3.007 698 V HA 0.747 4.867 4.120 0.000 0.000 0.311 698 V C -2.883 173.208 176.094 -0.006 0.000 1.120 698 V CA -1.956 60.360 62.300 0.027 0.000 0.980 698 V CB 1.588 33.407 31.823 -0.006 0.000 1.033 698 V HN 0.811 nan 8.190 nan 0.000 0.429 699 P HA 0.434 nan 4.420 nan 0.000 0.276 699 P C -0.984 176.309 177.300 -0.012 0.000 1.253 699 P CA 0.109 63.341 63.100 0.220 0.000 0.766 699 P CB 0.679 32.556 31.700 0.294 0.000 0.845 700 M N 3.515 123.104 119.600 -0.019 0.000 2.267 700 M HA 0.282 4.762 4.480 0.000 0.000 0.289 700 M C -0.553 175.866 176.300 0.199 0.000 1.043 700 M CA -0.880 54.417 55.300 -0.004 0.000 0.928 700 M CB 1.959 34.493 32.600 -0.110 0.000 1.613 700 M HN 0.169 nan 8.290 nan 0.000 0.450 701 Y N 2.622 123.206 120.300 0.474 0.000 2.683 701 Y HA 0.028 4.579 4.550 0.000 0.000 0.340 701 Y C -1.502 174.522 175.900 0.207 0.000 1.245 701 Y CA -0.616 57.633 58.100 0.248 0.000 1.485 701 Y CB -0.072 38.478 38.460 0.150 0.000 1.328 701 Y HN 0.520 nan 8.280 nan 0.000 0.603 702 P HA -0.274 nan 4.420 nan 0.000 0.216 702 P C 1.130 178.543 177.300 0.188 0.000 1.150 702 P CA 2.608 65.819 63.100 0.184 0.000 0.843 702 P CB 0.110 31.890 31.700 0.132 0.000 0.787 703 A N -1.211 121.730 122.820 0.202 0.000 1.883 703 A HA -0.222 4.098 4.320 0.000 0.000 0.217 703 A C 2.145 179.871 177.584 0.236 0.000 1.186 703 A CA 1.566 53.699 52.037 0.160 0.000 0.624 703 A CB -1.836 17.207 19.000 0.071 0.000 0.822 703 A HN 0.157 nan 8.150 nan 0.000 0.444 704 F N 0.694 120.767 119.950 0.206 0.000 2.186 704 F HA -0.112 4.415 4.527 0.000 0.000 0.299 704 F C 2.141 178.040 175.800 0.164 0.000 1.090 704 F CA 1.967 60.092 58.000 0.208 0.000 1.307 704 F CB -0.129 39.057 39.000 0.309 0.000 1.019 704 F HN 0.128 nan 8.300 nan 0.000 0.489 705 K N -0.059 120.480 120.400 0.232 0.000 2.160 705 K HA -0.209 4.112 4.320 0.000 0.000 0.206 705 K C 2.127 178.758 176.600 0.051 0.000 1.047 705 K CA 1.494 57.860 56.287 0.131 0.000 0.930 705 K CB -0.218 32.340 32.500 0.097 0.000 0.720 705 K HN 0.319 nan 8.250 nan 0.000 0.450 706 R N 0.384 120.918 120.500 0.056 0.000 2.091 706 R HA -0.123 4.217 4.340 0.000 0.000 0.238 706 R C 2.326 178.568 176.300 -0.097 0.000 1.136 706 R CA 1.440 57.564 56.100 0.041 0.000 0.959 706 R CB -0.481 29.935 30.300 0.193 0.000 0.856 706 R HN 0.022 nan 8.270 nan 0.000 0.437 707 V N 0.093 119.901 119.914 -0.177 0.000 2.270 707 V HA -0.244 3.876 4.120 0.000 0.000 0.245 707 V C 2.043 178.006 176.094 -0.219 0.000 1.043 707 V CA 1.501 63.604 62.300 -0.327 0.000 1.014 707 V CB -0.660 30.897 31.823 -0.444 0.000 0.645 707 V HN 0.525 nan 8.190 nan 0.000 0.447 708 W N 0.958 121.957 121.300 -0.503 0.000 2.355 708 W HA -0.226 4.434 4.660 0.000 0.000 0.309 708 W C 2.419 178.886 176.519 -0.087 0.000 1.206 708 W CA 2.150 59.325 57.345 -0.284 0.000 1.284 708 W CB -0.295 29.014 29.460 -0.251 0.000 1.145 708 W HN 0.272 nan 8.180 nan 0.000 0.502 709 T N -0.059 114.478 114.554 -0.028 0.000 2.788 709 T HA -0.299 4.051 4.350 0.000 0.000 0.268 709 T C 1.315 175.849 174.700 -0.277 0.000 1.044 709 T CA 1.833 63.852 62.100 -0.135 0.000 1.139 709 T CB -0.837 68.005 68.868 -0.044 0.000 0.867 709 T HN 0.241 nan 8.240 nan 0.000 0.454 710 Y N 0.846 120.950 120.300 -0.327 0.000 2.181 710 Y HA -0.098 4.452 4.550 0.000 0.000 0.288 710 Y C 2.006 177.674 175.900 -0.386 0.000 1.146 710 Y CA 0.939 58.817 58.100 -0.371 0.000 1.164 710 Y CB -0.480 37.750 38.460 -0.383 0.000 0.982 710 Y HN 0.228 nan 8.280 nan 0.000 0.515 711 F N 0.892 120.573 119.950 -0.448 0.000 2.095 711 F HA -0.262 4.265 4.527 0.000 0.000 0.298 711 F C 2.232 177.635 175.800 -0.662 0.000 1.104 711 F CA 2.048 59.705 58.000 -0.571 0.000 1.232 711 F CB -0.582 38.067 39.000 -0.585 0.000 0.987 711 F HN 0.067 nan 8.300 nan 0.000 0.475 712 Q N 0.094 119.422 119.800 -0.786 0.000 2.119 712 Q HA -0.174 4.167 4.340 0.000 0.000 0.201 712 Q C 2.434 178.040 176.000 -0.657 0.000 0.972 712 Q CA 1.651 56.987 55.803 -0.778 0.000 0.847 712 Q CB -0.499 27.901 28.738 -0.563 0.000 0.903 712 Q HN 0.494 nan 8.270 nan 0.000 0.433 713 R N -0.047 120.022 120.500 -0.719 0.000 2.156 713 R HA 0.036 4.376 4.340 0.000 0.000 0.207 713 R C 1.816 177.719 176.300 -0.662 0.000 1.040 713 R CA 0.511 56.146 56.100 -0.775 0.000 1.013 713 R CB 0.581 30.223 30.300 -1.097 0.000 0.931 713 R HN 0.051 nan 8.270 nan 0.000 0.465 714 V N 0.288 119.726 119.914 -0.794 0.000 2.743 714 V HA 0.004 4.125 4.120 0.000 0.000 0.237 714 V C 2.107 177.743 176.094 -0.763 0.000 1.113 714 V CA 0.530 62.353 62.300 -0.796 0.000 1.141 714 V CB -0.168 30.956 31.823 -1.166 0.000 0.873 714 V HN 0.164 nan 8.190 nan 0.000 0.486 715 L N 0.057 120.737 121.223 -0.906 0.000 2.072 715 L HA -0.077 4.263 4.340 0.000 0.000 0.205 715 L C 2.518 178.628 176.870 -1.267 0.000 1.079 715 L CA 0.976 55.218 54.840 -0.997 0.000 0.752 715 L CB -0.666 40.914 42.059 -0.799 0.000 0.906 715 L HN 0.183 nan 8.230 nan 0.000 0.436 716 V N 0.507 119.777 119.914 -1.073 0.000 2.287 716 V HA -0.316 3.804 4.120 0.000 0.000 0.248 716 V C 2.634 178.488 176.094 -0.398 0.000 1.053 716 V CA 2.155 64.029 62.300 -0.710 0.000 1.027 716 V CB -0.557 30.908 31.823 -0.598 0.000 0.646 716 V HN 0.408 nan 8.190 nan 0.000 0.447 717 K N 1.164 121.333 120.400 -0.385 0.000 2.063 717 K HA -0.226 4.094 4.320 0.000 0.000 0.208 717 K C 2.128 178.612 176.600 -0.193 0.000 1.048 717 K CA 1.993 58.143 56.287 -0.229 0.000 0.928 717 K CB -0.510 31.852 32.500 -0.229 0.000 0.713 717 K HN 0.412 nan 8.250 nan 0.000 0.442 718 K N -1.028 119.189 120.400 -0.305 0.000 2.063 718 K HA -0.184 4.137 4.320 0.000 0.000 0.208 718 K C 1.817 178.416 176.600 -0.002 0.000 1.048 718 K CA 1.525 57.699 56.287 -0.188 0.000 0.928 718 K CB -0.244 32.103 32.500 -0.255 0.000 0.713 718 K HN 0.136 nan 8.250 nan 0.000 0.442 719 Y N 0.401 120.679 120.300 -0.038 0.000 2.145 719 Y HA -0.098 4.453 4.550 0.001 0.000 0.286 719 Y C 2.485 178.400 175.900 0.026 0.000 1.145 719 Y CA 0.610 58.726 58.100 0.025 0.000 1.148 719 Y CB -1.237 37.257 38.460 0.056 0.000 0.981 719 Y HN 0.158 nan 8.280 nan 0.000 0.507 720 A N -0.595 122.319 122.820 0.156 0.000 1.892 720 A HA -0.255 4.066 4.320 0.000 0.000 0.218 720 A C 2.632 180.264 177.584 0.081 0.000 1.188 720 A CA 2.382 54.482 52.037 0.105 0.000 0.631 720 A CB -1.229 17.810 19.000 0.064 0.000 0.822 720 A HN 0.413 nan 8.150 nan 0.000 0.447 721 S N -0.659 115.071 115.700 0.050 0.000 2.383 721 S HA -0.165 4.305 4.470 0.000 0.000 0.227 721 S C 1.827 176.454 174.600 0.045 0.000 1.026 721 S CA 1.605 59.825 58.200 0.035 0.000 0.981 721 S CB -0.348 62.854 63.200 0.003 0.000 0.818 721 S HN 0.670 nan 8.310 nan 0.000 0.472 722 E N -0.089 120.150 120.200 0.066 0.000 2.230 722 E HA 0.075 4.425 4.350 0.000 0.000 0.192 722 E C 1.869 178.491 176.600 0.037 0.000 0.987 722 E CA 0.504 56.933 56.400 0.048 0.000 0.841 722 E CB 0.087 29.839 29.700 0.087 0.000 0.783 722 E HN 0.416 nan 8.360 nan 0.000 0.481 723 R N 0.495 121.046 120.500 0.084 0.000 2.472 723 R HA 0.116 4.457 4.340 0.000 0.000 0.279 723 R C -0.103 176.272 176.300 0.125 0.000 0.953 723 R CA -0.129 56.029 56.100 0.097 0.000 1.088 723 R CB 0.344 30.709 30.300 0.107 0.000 1.197 723 R HN -0.025 nan 8.270 nan 0.000 0.536 724 N N 1.280 120.047 118.700 0.111 0.000 2.726 724 N HA -0.148 4.592 4.740 0.000 0.000 0.253 724 N C -0.584 174.991 175.510 0.108 0.000 1.059 724 N CA 1.261 54.378 53.050 0.113 0.000 0.701 724 N CB -1.198 37.372 38.487 0.139 0.000 0.899 724 N HN 0.584 nan 8.380 nan 0.000 0.548 725 G N -1.930 106.933 108.800 0.105 0.000 2.705 725 G HA2 0.214 4.174 3.960 0.000 0.000 0.686 725 G HA3 0.214 4.174 3.960 0.000 0.000 0.686 725 G C -0.392 174.585 174.900 0.128 0.000 1.285 725 G CA -0.010 45.157 45.100 0.112 0.000 0.800 725 G HN 1.529 nan 8.290 nan 0.000 0.611 726 V N -1.184 118.811 119.914 0.135 0.000 2.925 726 V HA 0.855 4.975 4.120 0.000 0.000 0.311 726 V C 0.042 176.216 176.094 0.133 0.000 1.104 726 V CA -0.919 61.468 62.300 0.145 0.000 0.954 726 V CB 2.118 34.038 31.823 0.161 0.000 1.022 726 V HN 1.241 nan 8.190 nan 0.000 0.427 727 N N 1.699 120.494 118.700 0.157 0.000 2.421 727 N HA 0.597 5.338 4.740 0.000 0.000 0.285 727 N C -1.430 174.123 175.510 0.072 0.000 1.027 727 N CA -0.239 52.891 53.050 0.134 0.000 0.918 727 N CB 1.999 40.620 38.487 0.224 0.000 1.152 727 N HN 0.665 nan 8.380 nan 0.000 0.485 728 V N 5.005 124.839 119.914 -0.134 0.000 2.540 728 V HA 0.495 4.615 4.120 0.000 0.000 0.302 728 V C -0.015 176.042 176.094 -0.062 0.000 1.035 728 V CA -0.683 61.509 62.300 -0.180 0.000 0.873 728 V CB 1.579 33.055 31.823 -0.578 0.000 0.992 728 V HN 0.554 nan 8.190 nan 0.000 0.428 729 I N 3.574 124.232 120.570 0.146 0.000 2.382 729 I HA 0.527 4.698 4.170 0.000 0.000 0.286 729 I C -0.007 176.328 176.117 0.364 0.000 1.002 729 I CA 0.041 61.523 61.300 0.304 0.000 1.135 729 I CB 1.839 40.012 38.000 0.288 0.000 1.288 729 I HN 0.542 nan 8.210 nan 0.000 0.448 730 S N 3.290 119.193 115.700 0.339 0.000 2.607 730 S HA 0.969 5.440 4.470 0.000 0.000 0.303 730 S C -0.013 174.443 174.600 -0.240 0.000 1.086 730 S CA -0.701 57.549 58.200 0.084 0.000 0.995 730 S CB 2.398 65.872 63.200 0.456 0.000 1.084 730 S HN 0.918 nan 8.310 nan 0.000 0.507 731 G N 1.114 109.422 108.800 -0.820 0.000 2.349 731 G HA2 0.553 4.513 3.960 0.000 0.000 0.294 731 G HA3 0.553 4.513 3.960 0.000 0.000 0.294 731 G C -3.602 171.138 174.900 -0.267 0.000 1.380 731 G CA -0.767 44.065 45.100 -0.446 0.000 0.811 731 G HN 0.450 nan 8.290 nan 0.000 0.519 732 P HA 0.680 nan 4.420 nan 0.000 0.287 732 P C -0.869 176.295 177.300 -0.227 0.000 1.270 732 P CA -0.509 62.374 63.100 -0.362 0.000 0.844 732 P CB 2.175 33.653 31.700 -0.371 0.000 1.068 733 I N 1.834 122.087 120.570 -0.528 0.000 2.582 733 I HA 0.364 4.535 4.170 0.000 0.000 0.292 733 I C -0.693 175.055 176.117 -0.615 0.000 1.066 733 I CA -0.840 60.269 61.300 -0.318 0.000 1.053 733 I CB 1.706 39.657 38.000 -0.082 0.000 1.241 733 I HN 0.164 nan 8.210 nan 0.000 0.421 734 F N 4.206 124.091 119.950 -0.108 0.000 2.382 734 F HA 0.344 4.871 4.527 0.000 0.000 0.361 734 F C -0.022 175.763 175.800 -0.026 0.000 1.109 734 F CA -0.561 57.401 58.000 -0.063 0.000 1.031 734 F CB 1.007 39.971 39.000 -0.060 0.000 1.234 734 F HN 0.284 nan 8.300 nan 0.000 0.445 735 D N 2.232 122.683 120.400 0.085 0.000 2.772 735 D HA 0.151 4.791 4.640 0.000 0.000 0.326 735 D C 0.422 176.751 176.300 0.048 0.000 1.207 735 D CA -0.255 53.788 54.000 0.072 0.000 0.777 735 D CB -0.024 40.794 40.800 0.030 0.000 1.169 735 D HN 0.397 nan 8.370 nan 0.000 0.506 736 Y N 0.622 120.969 120.300 0.078 0.000 2.333 736 Y HA -0.134 4.417 4.550 0.001 0.000 0.290 736 Y C 1.993 177.918 175.900 0.042 0.000 1.144 736 Y CA 1.258 59.400 58.100 0.070 0.000 1.228 736 Y CB 0.054 38.538 38.460 0.040 0.000 0.985 736 Y HN 0.299 nan 8.280 nan 0.000 0.542 737 N N -0.485 118.238 118.700 0.038 0.000 2.268 737 N HA -0.106 4.635 4.740 0.000 0.000 0.204 737 N C -0.119 174.970 175.510 -0.701 0.000 1.124 737 N CA 0.132 52.990 53.050 -0.319 0.000 0.838 737 N CB -1.459 36.867 38.487 -0.268 0.000 0.994 737 N HN 0.524 nan 8.380 nan 0.000 0.489 738 Y N -0.598 119.708 120.300 0.011 0.000 3.225 738 Y HA -0.324 4.226 4.550 0.000 0.000 0.211 738 Y C 0.079 175.963 175.900 -0.027 0.000 1.223 738 Y CA 0.346 58.437 58.100 -0.015 0.000 1.284 738 Y CB -3.141 35.301 38.460 -0.030 0.000 1.367 738 Y HN 0.337 nan 8.280 nan 0.000 0.566 739 N N 0.699 119.363 118.700 -0.060 0.000 2.230 739 N HA 0.302 5.043 4.740 0.000 0.000 0.202 739 N C 1.441 176.954 175.510 0.005 0.000 1.119 739 N CA 0.323 53.346 53.050 -0.046 0.000 0.851 739 N CB 0.427 38.852 38.487 -0.103 0.000 0.990 739 N HN 1.224 nan 8.380 nan 0.000 0.497 740 G N 0.093 108.909 108.800 0.027 0.000 2.148 740 G HA2 -0.240 3.720 3.960 0.000 0.000 0.254 740 G HA3 -0.240 3.720 3.960 0.000 0.000 0.254 740 G C -0.493 174.442 174.900 0.059 0.000 0.981 740 G CA 0.596 45.731 45.100 0.059 0.000 0.670 740 G HN 0.365 nan 8.290 nan 0.000 0.528 741 L N -0.570 120.665 121.223 0.019 0.000 2.354 741 L HA 0.550 4.890 4.340 0.000 0.000 0.269 741 L C 1.066 177.934 176.870 -0.003 0.000 1.005 741 L CA -1.342 53.508 54.840 0.017 0.000 0.819 741 L CB 1.717 43.767 42.059 -0.015 0.000 1.311 741 L HN 0.205 nan 8.230 nan 0.000 0.423 742 R N 1.694 122.181 120.500 -0.022 0.000 2.486 742 R HA -0.077 4.263 4.340 0.000 0.000 0.304 742 R C -0.763 175.489 176.300 -0.081 0.000 0.913 742 R CA -0.046 56.007 56.100 -0.080 0.000 1.124 742 R CB 0.132 30.313 30.300 -0.199 0.000 0.891 742 R HN 0.464 nan 8.270 nan 0.000 0.410 743 D N 4.503 124.885 120.400 -0.031 0.000 2.382 743 D HA 0.085 4.725 4.640 0.000 0.000 0.245 743 D C 0.730 176.989 176.300 -0.069 0.000 1.120 743 D CA -0.071 53.922 54.000 -0.011 0.000 0.890 743 D CB 0.672 41.526 40.800 0.090 0.000 1.201 743 D HN 0.492 nan 8.370 nan 0.000 0.433 744 I N -1.598 118.956 120.570 -0.027 0.000 2.886 744 I HA 0.186 4.356 4.170 0.000 0.000 0.299 744 I C 1.201 177.356 176.117 0.063 0.000 1.044 744 I CA -0.646 60.664 61.300 0.017 0.000 1.310 744 I CB 0.861 38.870 38.000 0.016 0.000 1.441 744 I HN 0.290 nan 8.210 nan 0.000 0.578 745 E N 1.176 121.448 120.200 0.119 0.000 2.097 745 E HA -0.289 4.061 4.350 0.000 0.000 0.196 745 E C 1.282 177.917 176.600 0.058 0.000 1.000 745 E CA 2.272 58.740 56.400 0.114 0.000 0.804 745 E CB -0.154 29.567 29.700 0.035 0.000 0.740 745 E HN 0.847 nan 8.360 nan 0.000 0.454 746 D N 0.468 120.888 120.400 0.033 0.000 2.265 746 D HA -0.154 4.486 4.640 0.000 0.000 0.208 746 D C 1.301 177.601 176.300 -0.001 0.000 0.977 746 D CA 1.007 55.017 54.000 0.016 0.000 0.871 746 D CB 0.103 40.908 40.800 0.008 0.000 0.925 746 D HN 0.192 nan 8.370 nan 0.000 0.485 747 E N -0.796 119.402 120.200 -0.004 0.000 2.474 747 E HA 0.129 4.479 4.350 0.000 0.000 0.194 747 E C 0.265 176.820 176.600 -0.075 0.000 1.041 747 E CA -0.196 56.196 56.400 -0.014 0.000 0.874 747 E CB 0.582 30.293 29.700 0.017 0.000 0.914 747 E HN 0.374 nan 8.360 nan 0.000 0.498 748 I N 1.851 122.337 120.570 -0.140 0.000 2.496 748 I HA -0.004 4.166 4.170 0.000 0.000 0.285 748 I C 1.082 176.810 176.117 -0.647 0.000 1.080 748 I CA 0.160 61.190 61.300 -0.450 0.000 1.404 748 I CB 0.763 38.582 38.000 -0.301 0.000 1.403 748 I HN -0.135 nan 8.210 nan 0.000 0.539 749 K N 4.654 124.303 120.400 -1.251 0.000 2.402 749 K HA 0.210 4.530 4.320 0.000 0.000 0.203 749 K C -0.067 176.241 176.600 -0.488 0.000 1.077 749 K CA 0.176 56.067 56.287 -0.659 0.000 1.051 749 K CB 0.727 32.979 32.500 -0.414 0.000 0.907 749 K HN 0.585 nan 8.250 nan 0.000 0.554 750 Q N -0.066 119.310 119.800 -0.707 0.000 2.323 750 Q HA 0.398 4.738 4.340 0.000 0.000 0.271 750 Q C -1.619 174.088 176.000 -0.487 0.000 1.048 750 Q CA -0.650 54.981 55.803 -0.285 0.000 0.792 750 Q CB 1.500 30.274 28.738 0.060 0.000 1.280 750 Q HN -0.060 nan 8.270 nan 0.000 0.441 751 Y N 0.404 120.717 120.300 0.023 0.000 2.576 751 Y HA 0.448 4.998 4.550 0.001 0.000 0.346 751 Y C -0.173 175.722 175.900 -0.008 0.000 1.018 751 Y CA -1.064 57.047 58.100 0.019 0.000 1.050 751 Y CB 1.613 40.068 38.460 -0.009 0.000 1.280 751 Y HN 0.308 nan 8.280 nan 0.000 0.474 752 V N 1.388 121.368 119.914 0.110 0.000 2.763 752 V HA -0.077 4.043 4.120 0.000 0.000 0.306 752 V C 0.411 176.493 176.094 -0.020 0.000 1.059 752 V CA -0.387 61.888 62.300 -0.041 0.000 1.138 752 V CB 0.618 32.282 31.823 -0.264 0.000 0.940 752 V HN 0.788 nan 8.190 nan 0.000 0.489 753 E N 3.483 123.666 120.200 -0.028 0.000 2.652 753 E HA 0.125 4.476 4.350 0.000 0.000 0.255 753 E C 1.241 177.825 176.600 -0.027 0.000 0.952 753 E CA 0.825 57.222 56.400 -0.005 0.000 0.947 753 E CB -0.152 29.551 29.700 0.005 0.000 0.912 753 E HN 1.107 nan 8.360 nan 0.000 0.489 754 G N 3.084 111.875 108.800 -0.015 0.000 2.155 754 G HA2 -0.328 3.632 3.960 0.000 0.000 0.257 754 G HA3 -0.328 3.632 3.960 0.000 0.000 0.257 754 G C 0.109 174.980 174.900 -0.047 0.000 0.983 754 G CA 0.680 45.762 45.100 -0.030 0.000 0.676 754 G HN 1.024 nan 8.290 nan 0.000 0.528 755 S N -1.683 113.987 115.700 -0.049 0.000 2.745 755 S HA 0.788 5.259 4.470 0.000 0.000 0.306 755 S C 0.716 175.268 174.600 -0.080 0.000 1.137 755 S CA 0.634 58.799 58.200 -0.058 0.000 0.900 755 S CB 1.755 64.919 63.200 -0.059 0.000 1.176 755 S HN 1.441 nan 8.310 nan 0.000 0.520 756 S N -0.114 115.538 115.700 -0.081 0.000 2.561 756 S HA 0.393 4.863 4.470 0.000 0.000 0.245 756 S C -0.047 174.635 174.600 0.137 0.000 1.001 756 S CA -0.649 57.466 58.200 -0.141 0.000 1.002 756 S CB -1.030 62.057 63.200 -0.189 0.000 0.805 756 S HN 0.619 nan 8.310 nan 0.000 0.458 757 I N 4.231 124.910 120.570 0.182 0.000 2.379 757 I HA 0.284 4.454 4.170 0.000 0.000 0.290 757 I C -2.205 174.115 176.117 0.338 0.000 1.063 757 I CA -2.242 59.196 61.300 0.229 0.000 1.351 757 I CB 0.683 38.760 38.000 0.128 0.000 1.410 757 I HN 0.102 nan 8.210 nan 0.000 0.505 758 P HA 0.129 nan 4.420 nan 0.000 0.278 758 P C -0.623 176.864 177.300 0.312 0.000 1.238 758 P CA -0.226 62.982 63.100 0.181 0.000 0.794 758 P CB 1.449 33.221 31.700 0.120 0.000 0.955 759 V N 5.049 125.100 119.914 0.229 0.000 2.350 759 V HA 0.253 4.373 4.120 0.000 0.000 0.276 759 V C -2.057 174.158 176.094 0.201 0.000 1.028 759 V CA -2.049 60.380 62.300 0.214 0.000 0.860 759 V CB 0.943 32.845 31.823 0.131 0.000 0.990 759 V HN 0.519 nan 8.190 nan 0.000 0.453 760 P HA 0.124 nan 4.420 nan 0.000 0.268 760 P C 1.054 178.049 177.300 -0.508 0.000 1.205 760 P CA -0.010 62.552 63.100 -0.898 0.000 0.771 760 P CB 0.582 31.428 31.700 -1.423 0.000 0.858 761 T N -1.178 113.044 114.554 -0.554 0.000 3.043 761 T HA 0.010 4.360 4.350 0.000 0.000 0.263 761 T C 0.265 174.556 174.700 -0.682 0.000 1.094 761 T CA 0.992 62.775 62.100 -0.528 0.000 1.127 761 T CB -0.540 68.053 68.868 -0.457 0.000 0.905 761 T HN 0.456 nan 8.240 nan 0.000 0.490 762 H N -1.420 117.353 119.070 -0.495 0.000 3.008 762 H HA 0.615 5.172 4.556 0.001 0.000 0.354 762 H C -1.858 173.072 175.328 -0.663 0.000 1.252 762 H CA -1.038 54.774 56.048 -0.393 0.000 1.117 762 H CB 1.169 30.827 29.762 -0.174 0.000 1.857 762 H HN 0.149 nan 8.280 nan 0.000 0.547 763 Y N 0.897 121.105 120.300 -0.153 0.000 2.409 763 Y HA 0.322 4.872 4.550 0.000 0.000 0.343 763 Y C -0.801 175.138 175.900 0.066 0.000 0.973 763 Y CA -1.071 56.900 58.100 -0.215 0.000 1.064 763 Y CB 1.481 39.626 38.460 -0.524 0.000 1.207 763 Y HN 0.603 nan 8.280 nan 0.000 0.452 764 Y N -0.162 120.276 120.300 0.231 0.000 2.496 764 Y HA 0.832 5.382 4.550 0.000 0.000 0.331 764 Y C -0.578 175.529 175.900 0.345 0.000 1.140 764 Y CA -1.343 56.908 58.100 0.251 0.000 1.166 764 Y CB 1.879 40.440 38.460 0.168 0.000 1.249 764 Y HN 0.431 nan 8.280 nan 0.000 0.479 765 S N 2.687 118.689 115.700 0.503 0.000 2.575 765 S HA 0.671 5.141 4.470 0.000 0.000 0.278 765 S C -1.449 173.421 174.600 0.450 0.000 1.139 765 S CA -0.698 57.792 58.200 0.484 0.000 0.954 765 S CB 0.558 64.062 63.200 0.508 0.000 1.054 765 S HN 0.671 nan 8.310 nan 0.000 0.483 766 I N 4.997 125.772 120.570 0.342 0.000 2.382 766 I HA 0.485 4.655 4.170 0.000 0.000 0.286 766 I C -0.908 175.311 176.117 0.170 0.000 1.002 766 I CA -0.493 60.901 61.300 0.156 0.000 1.135 766 I CB 1.535 39.488 38.000 -0.078 0.000 1.288 766 I HN 0.518 nan 8.210 nan 0.000 0.448 767 I N 6.002 126.674 120.570 0.170 0.000 2.382 767 I HA 0.337 4.507 4.170 0.000 0.000 0.285 767 I C -0.306 175.887 176.117 0.128 0.000 1.007 767 I CA -0.151 61.253 61.300 0.174 0.000 1.142 767 I CB 1.595 39.728 38.000 0.223 0.000 1.289 767 I HN 0.470 nan 8.210 nan 0.000 0.453 768 T N 4.077 118.729 114.554 0.163 0.000 2.888 768 T HA 0.732 5.082 4.350 0.000 0.000 0.284 768 T C -0.076 174.732 174.700 0.180 0.000 1.017 768 T CA -0.693 61.499 62.100 0.153 0.000 1.022 768 T CB 1.861 70.850 68.868 0.201 0.000 1.013 768 T HN 0.723 nan 8.240 nan 0.000 0.465 769 S N -0.038 115.733 115.700 0.118 0.000 2.790 769 S HA 0.573 5.044 4.470 0.000 0.000 0.292 769 S C -0.812 173.841 174.600 0.089 0.000 1.197 769 S CA -0.933 57.345 58.200 0.131 0.000 0.851 769 S CB 0.797 64.063 63.200 0.111 0.000 1.217 769 S HN 0.850 nan 8.310 nan 0.000 0.526 770 c N 1.485 120.138 118.600 0.089 0.000 2.369 770 c HA 0.566 5.137 4.570 0.000 0.000 0.358 770 c C 1.922 176.027 174.090 0.026 0.000 1.274 770 c CA -0.604 55.757 56.329 0.053 0.000 1.935 770 c CB -0.393 42.150 42.510 0.055 0.000 2.431 770 c HN 0.848 nan 8.230 nan 0.000 0.545 771 L N 3.596 124.803 121.223 -0.027 0.000 2.042 771 L HA 0.014 4.354 4.340 0.000 0.000 0.210 771 L C 1.201 178.055 176.870 -0.026 0.000 1.076 771 L CA 1.903 56.717 54.840 -0.043 0.000 0.749 771 L CB -0.553 41.449 42.059 -0.096 0.000 0.893 771 L HN 0.786 nan 8.230 nan 0.000 0.432 772 D N -0.430 119.921 120.400 -0.082 0.000 2.348 772 D HA -0.068 4.572 4.640 0.000 0.000 0.259 772 D C 1.154 177.361 176.300 -0.155 0.000 1.296 772 D CA -0.209 53.672 54.000 -0.198 0.000 0.931 772 D CB 0.106 40.806 40.800 -0.167 0.000 1.067 772 D HN 0.306 nan 8.370 nan 0.000 0.503 773 F N 1.332 121.280 119.950 -0.004 0.000 2.641 773 F HA -0.012 4.516 4.527 0.001 0.000 0.298 773 F C 2.078 177.887 175.800 0.016 0.000 1.146 773 F CA 0.678 58.684 58.000 0.009 0.000 1.464 773 F CB -1.256 37.750 39.000 0.011 0.000 1.101 773 F HN 0.263 nan 8.300 nan 0.000 0.585 774 T N -2.431 112.020 114.554 -0.172 0.000 3.035 774 T HA -0.004 4.346 4.350 0.000 0.000 0.268 774 T C 0.673 175.374 174.700 0.001 0.000 1.109 774 T CA 0.283 62.355 62.100 -0.047 0.000 1.119 774 T CB -0.387 68.395 68.868 -0.143 0.000 0.900 774 T HN 0.496 nan 8.240 nan 0.000 0.503 775 Q N 2.107 121.902 119.800 -0.008 0.000 2.241 775 Q HA 0.413 4.753 4.340 0.000 0.000 0.254 775 Q C -2.800 173.232 176.000 0.054 0.000 0.917 775 Q CA -2.679 53.134 55.803 0.017 0.000 0.919 775 Q CB 1.473 30.212 28.738 0.001 0.000 1.237 775 Q HN 0.215 nan 8.270 nan 0.000 0.434 776 P HA -0.044 nan 4.420 nan 0.000 0.269 776 P C -0.113 177.233 177.300 0.077 0.000 1.209 776 P CA 0.210 63.352 63.100 0.070 0.000 0.776 776 P CB 0.676 32.410 31.700 0.057 0.000 0.876 777 A N 3.312 126.190 122.820 0.095 0.000 1.948 777 A HA -0.229 4.091 4.320 0.000 0.000 0.220 777 A C 1.654 179.296 177.584 0.097 0.000 1.177 777 A CA 2.190 54.297 52.037 0.117 0.000 0.636 777 A CB -1.249 17.834 19.000 0.138 0.000 0.815 777 A HN 0.678 nan 8.150 nan 0.000 0.449 778 D N -1.039 119.400 120.400 0.065 0.000 2.347 778 D HA 0.093 4.733 4.640 0.000 0.000 0.215 778 D C 0.840 177.155 176.300 0.024 0.000 0.976 778 D CA 1.393 55.410 54.000 0.028 0.000 0.884 778 D CB -0.228 40.581 40.800 0.015 0.000 0.915 778 D HN 0.398 nan 8.370 nan 0.000 0.526 779 K N 0.345 120.767 120.400 0.038 0.000 3.163 779 K HA 0.410 4.730 4.320 0.000 0.000 0.186 779 K C -0.578 176.044 176.600 0.037 0.000 1.111 779 K CA -0.555 55.751 56.287 0.031 0.000 0.918 779 K CB -0.632 31.882 32.500 0.024 0.000 1.059 779 K HN 0.286 nan 8.250 nan 0.000 0.558 780 c N 1.741 120.373 118.600 0.054 0.000 2.307 780 c HA 0.467 5.037 4.570 0.000 0.000 0.340 780 c C 0.432 174.548 174.090 0.044 0.000 1.275 780 c CA -0.370 55.991 56.329 0.053 0.000 1.811 780 c CB -0.047 42.515 42.510 0.086 0.000 2.372 780 c HN 0.756 nan 8.230 nan 0.000 0.531 781 D N 2.795 123.207 120.400 0.020 0.000 2.354 781 D HA 0.173 4.814 4.640 0.000 0.000 0.209 781 D C 1.061 177.365 176.300 0.006 0.000 1.015 781 D CA 0.686 54.694 54.000 0.014 0.000 0.867 781 D CB 0.770 41.572 40.800 0.002 0.000 0.933 781 D HN 0.824 nan 8.370 nan 0.000 0.520 782 G N 0.469 109.267 108.800 -0.003 0.000 3.252 782 G HA2 0.448 4.408 3.960 0.000 0.000 0.181 782 G HA3 0.448 4.408 3.960 0.000 0.000 0.181 782 G C -2.630 172.250 174.900 -0.034 0.000 1.187 782 G CA -0.719 44.368 45.100 -0.022 0.000 0.886 782 G HN -0.149 nan 8.290 nan 0.000 0.615 783 P HA 0.324 nan 4.420 nan 0.000 0.269 783 P C -0.457 176.778 177.300 -0.107 0.000 1.215 783 P CA -0.018 63.022 63.100 -0.101 0.000 0.780 783 P CB 0.650 32.278 31.700 -0.121 0.000 0.898 784 L N 0.597 121.721 121.223 -0.165 0.000 2.352 784 L HA 0.562 4.902 4.340 0.000 0.000 0.269 784 L C 0.636 177.373 176.870 -0.221 0.000 1.034 784 L CA -0.556 54.178 54.840 -0.176 0.000 0.806 784 L CB 1.414 43.301 42.059 -0.285 0.000 1.244 784 L HN 0.306 nan 8.230 nan 0.000 0.447 785 S N 0.827 116.421 115.700 -0.176 0.000 2.473 785 S HA 0.681 5.151 4.470 0.000 0.000 0.307 785 S C -1.186 173.309 174.600 -0.176 0.000 1.094 785 S CA -0.544 57.523 58.200 -0.222 0.000 1.070 785 S CB 1.692 64.805 63.200 -0.145 0.000 1.019 785 S HN 0.388 nan 8.310 nan 0.000 0.480 786 V N 4.486 124.271 119.914 -0.216 0.000 2.760 786 V HA 0.893 5.013 4.120 0.000 0.000 0.309 786 V C -0.906 175.209 176.094 0.035 0.000 1.077 786 V CA -0.223 62.038 62.300 -0.064 0.000 0.910 786 V CB 2.262 34.059 31.823 -0.042 0.000 1.008 786 V HN 1.117 nan 8.190 nan 0.000 0.424 787 S N 4.155 119.879 115.700 0.040 0.000 2.541 787 S HA 0.908 5.378 4.470 0.000 0.000 0.280 787 S C -0.796 173.724 174.600 -0.134 0.000 1.112 787 S CA -0.592 57.613 58.200 0.008 0.000 0.925 787 S CB 2.048 65.301 63.200 0.088 0.000 1.067 787 S HN 0.872 nan 8.310 nan 0.000 0.479 788 S N 0.908 116.412 115.700 -0.328 0.000 2.618 788 S HA 0.865 5.336 4.470 0.000 0.000 0.277 788 S C -1.596 172.663 174.600 -0.569 0.000 1.138 788 S CA -0.704 57.334 58.200 -0.270 0.000 0.844 788 S CB 0.841 64.007 63.200 -0.056 0.000 1.127 788 S HN 0.686 nan 8.310 nan 0.000 0.474 789 F N 0.414 120.472 119.950 0.179 0.000 2.613 789 F HA 0.626 5.153 4.527 0.001 0.000 0.310 789 F C -0.672 175.244 175.800 0.194 0.000 1.085 789 F CA -0.837 57.265 58.000 0.169 0.000 0.945 789 F CB 1.374 40.448 39.000 0.124 0.000 1.298 789 F HN 0.300 nan 8.300 nan 0.000 0.455 790 I N 3.929 124.725 120.570 0.377 0.000 2.495 790 I HA 0.311 4.481 4.170 0.000 0.000 0.277 790 I C -1.187 175.122 176.117 0.321 0.000 1.045 790 I CA -0.282 61.195 61.300 0.295 0.000 1.135 790 I CB 1.072 39.148 38.000 0.126 0.000 1.241 790 I HN 0.324 nan 8.210 nan 0.000 0.469 791 L N 7.738 129.153 121.223 0.320 0.000 2.292 791 L HA 0.485 4.826 4.340 0.000 0.000 0.284 791 L C -2.187 174.817 176.870 0.223 0.000 1.065 791 L CA -1.870 53.119 54.840 0.248 0.000 0.806 791 L CB 0.747 43.020 42.059 0.356 0.000 1.175 791 L HN 0.242 nan 8.230 nan 0.000 0.431 792 P HA 0.001 nan 4.420 nan 0.000 0.276 792 P C -0.985 176.283 177.300 -0.053 0.000 1.230 792 P CA -0.000 62.988 63.100 -0.186 0.000 0.776 792 P CB 0.485 32.054 31.700 -0.219 0.000 0.888 793 H N 4.840 123.656 119.070 -0.423 0.000 2.872 793 H HA 0.291 4.848 4.556 0.000 0.000 0.273 793 H C -0.332 174.925 175.328 -0.118 0.000 1.205 793 H CA -0.520 55.296 56.048 -0.387 0.000 1.342 793 H CB 0.242 29.650 29.762 -0.591 0.000 1.469 793 H HN 0.301 nan 8.280 nan 0.000 0.487 794 R N 4.538 125.032 120.500 -0.010 0.000 2.803 794 R HA 0.209 4.550 4.340 0.000 0.000 0.276 794 R C -1.919 174.225 176.300 -0.261 0.000 0.978 794 R CA -1.953 54.034 56.100 -0.189 0.000 0.939 794 R CB 1.757 31.907 30.300 -0.249 0.000 1.179 794 R HN 0.505 nan 8.270 nan 0.000 0.472 795 P HA -0.075 nan 4.420 nan 0.000 0.237 795 P C -0.876 176.177 177.300 -0.411 0.000 1.178 795 P CA 0.990 63.487 63.100 -1.006 0.000 0.766 795 P CB 0.145 31.197 31.700 -1.080 0.000 0.876 796 D N -2.388 117.852 120.400 -0.266 0.000 2.626 796 D HA 0.192 4.832 4.640 0.000 0.000 0.278 796 D C -0.136 176.073 176.300 -0.150 0.000 1.211 796 D CA -0.862 53.029 54.000 -0.182 0.000 0.903 796 D CB -0.089 40.597 40.800 -0.189 0.000 1.408 796 D HN -0.363 nan 8.370 nan 0.000 0.454 797 N N -0.029 118.567 118.700 -0.173 0.000 2.453 797 N HA 0.095 4.835 4.740 0.000 0.000 0.270 797 N C -0.363 174.990 175.510 -0.262 0.000 1.195 797 N CA -0.048 52.873 53.050 -0.215 0.000 0.902 797 N CB 0.538 38.815 38.487 -0.351 0.000 1.186 797 N HN 0.356 nan 8.380 nan 0.000 0.510 798 D N 0.842 121.108 120.400 -0.224 0.000 2.218 798 D HA -0.172 4.468 4.640 0.000 0.000 0.204 798 D C 1.637 177.798 176.300 -0.231 0.000 0.976 798 D CA 0.891 54.759 54.000 -0.221 0.000 0.853 798 D CB 0.268 40.954 40.800 -0.191 0.000 0.939 798 D HN 0.497 nan 8.370 nan 0.000 0.481 799 E N 0.110 120.179 120.200 -0.219 0.000 2.153 799 E HA -0.085 4.265 4.350 0.000 0.000 0.194 799 E C -0.114 176.390 176.600 -0.160 0.000 0.988 799 E CA 0.599 56.876 56.400 -0.205 0.000 0.811 799 E CB 0.241 29.876 29.700 -0.108 0.000 0.746 799 E HN -0.017 nan 8.360 nan 0.000 0.466 800 S N 0.083 115.673 115.700 -0.183 0.000 2.434 800 S HA 0.116 4.586 4.470 0.000 0.000 0.318 800 S C 0.457 174.879 174.600 -0.297 0.000 1.062 800 S CA -0.779 57.309 58.200 -0.187 0.000 1.116 800 S CB 1.190 64.282 63.200 -0.179 0.000 0.977 800 S HN 0.301 nan 8.310 nan 0.000 0.480 801 c N 2.862 121.329 118.600 -0.222 0.000 2.422 801 c HA -0.047 4.524 4.570 0.000 0.000 0.286 801 c C 1.806 175.745 174.090 -0.252 0.000 1.412 801 c CA 0.560 56.751 56.329 -0.230 0.000 1.786 801 c CB -1.519 40.874 42.510 -0.194 0.000 1.835 801 c HN 0.836 nan 8.230 nan 0.000 0.533 802 N N 0.262 118.802 118.700 -0.267 0.000 2.235 802 N HA -0.018 4.723 4.740 0.000 0.000 0.209 802 N C 1.427 176.628 175.510 -0.514 0.000 1.122 802 N CA 0.248 53.146 53.050 -0.254 0.000 0.845 802 N CB 0.152 38.585 38.487 -0.089 0.000 1.004 802 N HN 0.533 nan 8.380 nan 0.000 0.499 803 S N -0.404 114.761 115.700 -0.891 0.000 2.603 803 S HA -0.101 4.369 4.470 0.000 0.000 0.229 803 S C 1.908 176.006 174.600 -0.836 0.000 0.972 803 S CA 0.692 57.845 58.200 -1.745 0.000 0.935 803 S CB -0.279 61.810 63.200 -1.852 0.000 0.769 803 S HN 0.301 nan 8.310 nan 0.000 0.536 804 S N 0.714 116.146 115.700 -0.448 0.000 2.453 804 S HA 0.037 4.507 4.470 0.000 0.000 0.231 804 S C 0.641 175.172 174.600 -0.114 0.000 1.005 804 S CA -0.102 57.961 58.200 -0.229 0.000 0.949 804 S CB -0.414 62.682 63.200 -0.172 0.000 0.774 804 S HN 0.698 nan 8.310 nan 0.000 0.510 805 E N 1.418 121.563 120.200 -0.092 0.000 2.405 805 E HA 0.256 4.606 4.350 0.000 0.000 0.253 805 E C -0.635 176.080 176.600 0.191 0.000 1.257 805 E CA -0.559 55.866 56.400 0.041 0.000 0.960 805 E CB 0.202 29.936 29.700 0.056 0.000 1.077 805 E HN 0.321 nan 8.360 nan 0.000 0.512 806 D N -0.031 120.440 120.400 0.118 0.000 2.443 806 D HA -0.057 4.583 4.640 0.000 0.000 0.239 806 D C 0.419 176.697 176.300 -0.038 0.000 1.136 806 D CA 0.213 54.247 54.000 0.056 0.000 0.879 806 D CB 0.751 41.539 40.800 -0.021 0.000 1.195 806 D HN 0.261 nan 8.370 nan 0.000 0.443 807 E N 0.745 120.764 120.200 -0.301 0.000 2.187 807 E HA -0.220 4.131 4.350 0.000 0.000 0.199 807 E C 1.863 177.688 176.600 -1.292 0.000 1.004 807 E CA 1.483 57.233 56.400 -1.085 0.000 0.813 807 E CB -0.186 28.866 29.700 -1.079 0.000 0.736 807 E HN 0.527 nan 8.360 nan 0.000 0.468 808 S N -0.196 115.031 115.700 -0.788 0.000 2.537 808 S HA -0.080 4.390 4.470 0.000 0.000 0.240 808 S C 1.421 175.844 174.600 -0.295 0.000 0.981 808 S CA 0.652 58.567 58.200 -0.476 0.000 0.948 808 S CB 0.052 63.175 63.200 -0.128 0.000 0.759 808 S HN 0.030 nan 8.310 nan 0.000 0.531 809 K N 0.170 120.420 120.400 -0.250 0.000 2.353 809 K HA 0.191 4.511 4.320 0.000 0.000 0.195 809 K C 1.119 177.752 176.600 0.055 0.000 1.031 809 K CA 0.434 56.697 56.287 -0.039 0.000 1.079 809 K CB 0.204 32.750 32.500 0.076 0.000 0.857 809 K HN 0.871 nan 8.250 nan 0.000 0.535 810 W N -1.955 119.222 121.300 -0.205 0.000 2.166 810 W HA 0.138 4.799 4.660 0.000 0.000 0.196 810 W C 0.811 177.223 176.519 -0.179 0.000 0.895 810 W CA -0.093 57.151 57.345 -0.169 0.000 1.069 810 W CB -0.564 28.804 29.460 -0.153 0.000 0.798 810 W HN -0.279 nan 8.180 nan 0.000 0.647 811 V N 2.680 122.041 119.914 -0.921 0.000 2.295 811 V HA -0.265 3.855 4.120 0.000 0.000 0.246 811 V C 2.408 178.309 176.094 -0.322 0.000 1.049 811 V CA 2.696 64.525 62.300 -0.785 0.000 1.024 811 V CB -0.688 30.521 31.823 -1.025 0.000 0.648 811 V HN 0.099 nan 8.190 nan 0.000 0.447 812 E N -0.233 119.818 120.200 -0.247 0.000 2.110 812 E HA -0.275 4.076 4.350 0.000 0.000 0.193 812 E C 2.246 178.770 176.600 -0.126 0.000 0.988 812 E CA 1.308 57.624 56.400 -0.139 0.000 0.804 812 E CB -0.097 29.564 29.700 -0.066 0.000 0.745 812 E HN 0.721 nan 8.360 nan 0.000 0.458 813 E N 0.905 121.057 120.200 -0.080 0.000 2.085 813 E HA -0.232 4.119 4.350 0.000 0.000 0.194 813 E C 2.188 178.795 176.600 0.010 0.000 0.994 813 E CA 0.832 57.214 56.400 -0.029 0.000 0.801 813 E CB -0.020 29.692 29.700 0.019 0.000 0.743 813 E HN 0.116 nan 8.360 nan 0.000 0.453 814 L N 0.561 121.818 121.223 0.056 0.000 2.046 814 L HA -0.158 4.182 4.340 0.000 0.000 0.208 814 L C 2.311 179.267 176.870 0.143 0.000 1.077 814 L CA 1.811 56.737 54.840 0.144 0.000 0.747 814 L CB -0.347 41.817 42.059 0.176 0.000 0.896 814 L HN 0.256 nan 8.230 nan 0.000 0.432 815 M N -0.877 118.712 119.600 -0.019 0.000 2.117 815 M HA -0.231 4.250 4.480 0.000 0.000 0.262 815 M C 2.205 178.563 176.300 0.097 0.000 1.065 815 M CA 1.811 57.059 55.300 -0.086 0.000 1.114 815 M CB -0.386 31.930 32.600 -0.474 0.000 1.361 815 M HN 0.156 nan 8.290 nan 0.000 0.408 816 K N -0.110 120.241 120.400 -0.082 0.000 2.103 816 K HA -0.182 4.138 4.320 0.000 0.000 0.207 816 K C 1.900 178.514 176.600 0.023 0.000 1.048 816 K CA 1.440 57.603 56.287 -0.206 0.000 0.930 816 K CB -0.289 31.974 32.500 -0.396 0.000 0.716 816 K HN 0.183 nan 8.250 nan 0.000 0.444 817 M N 0.358 119.967 119.600 0.015 0.000 2.279 817 M HA -0.118 4.362 4.480 0.000 0.000 0.264 817 M C 0.883 177.053 176.300 -0.217 0.000 1.062 817 M CA 1.737 56.985 55.300 -0.087 0.000 1.099 817 M CB 0.072 32.615 32.600 -0.095 0.000 1.394 817 M HN 0.112 nan 8.290 nan 0.000 0.426 818 H N -0.733 118.424 119.070 0.145 0.000 2.487 818 H HA 0.214 4.770 4.556 0.001 0.000 0.290 818 H C 0.211 175.694 175.328 0.259 0.000 1.081 818 H CA 0.025 56.178 56.048 0.175 0.000 1.116 818 H CB -0.351 29.527 29.762 0.192 0.000 1.560 818 H HN 0.239 nan 8.280 nan 0.000 0.548 819 T N 1.033 115.768 114.554 0.301 0.000 2.855 819 T HA 0.356 4.706 4.350 0.000 0.000 0.322 819 T C 0.168 174.906 174.700 0.063 0.000 1.088 819 T CA 0.041 62.242 62.100 0.169 0.000 1.104 819 T CB 0.405 69.390 68.868 0.196 0.000 0.996 819 T HN 0.517 nan 8.240 nan 0.000 0.549 820 A N 3.468 126.272 122.820 -0.027 0.000 2.609 820 A HA 0.715 5.035 4.320 0.000 0.000 0.291 820 A C -0.771 176.796 177.584 -0.028 0.000 1.096 820 A CA -0.968 51.066 52.037 -0.005 0.000 0.684 820 A CB 1.330 20.353 19.000 0.039 0.000 1.282 820 A HN 0.853 nan 8.150 nan 0.000 0.412 821 R N 0.202 120.711 120.500 0.014 0.000 2.500 821 R HA 0.436 4.776 4.340 0.000 0.000 0.277 821 R C 0.800 177.115 176.300 0.026 0.000 1.026 821 R CA -0.665 55.451 56.100 0.027 0.000 1.058 821 R CB 1.130 31.471 30.300 0.069 0.000 1.078 821 R HN 0.408 nan 8.270 nan 0.000 0.509 822 V N 2.054 121.988 119.914 0.033 0.000 2.392 822 V HA -0.262 3.858 4.120 0.000 0.000 0.249 822 V C 2.363 178.472 176.094 0.024 0.000 1.059 822 V CA 1.897 64.201 62.300 0.006 0.000 1.051 822 V CB -0.566 31.305 31.823 0.080 0.000 0.658 822 V HN 0.640 nan 8.190 nan 0.000 0.455 823 R N 0.653 121.169 120.500 0.026 0.000 2.105 823 R HA -0.164 4.177 4.340 0.000 0.000 0.239 823 R C 1.891 178.089 176.300 -0.171 0.000 1.135 823 R CA 1.779 57.833 56.100 -0.077 0.000 0.967 823 R CB -0.685 29.596 30.300 -0.032 0.000 0.861 823 R HN 0.562 nan 8.270 nan 0.000 0.442 824 D N -0.154 120.263 120.400 0.027 0.000 2.097 824 D HA -0.143 4.497 4.640 0.000 0.000 0.195 824 D C 1.939 178.274 176.300 0.058 0.000 0.989 824 D CA 1.590 55.677 54.000 0.146 0.000 0.827 824 D CB -0.179 40.711 40.800 0.148 0.000 0.966 824 D HN 0.299 nan 8.370 nan 0.000 0.456 825 I N 1.302 121.865 120.570 -0.011 0.000 2.208 825 I HA -0.246 3.924 4.170 0.000 0.000 0.245 825 I C 2.322 178.429 176.117 -0.018 0.000 1.097 825 I CA 1.131 62.383 61.300 -0.080 0.000 1.363 825 I CB -0.250 37.615 38.000 -0.225 0.000 1.051 825 I HN -0.005 nan 8.210 nan 0.000 0.413 826 E N 0.074 120.290 120.200 0.026 0.000 2.058 826 E HA -0.261 4.089 4.350 0.000 0.000 0.194 826 E C 2.091 178.692 176.600 0.003 0.000 0.997 826 E CA 1.625 58.035 56.400 0.017 0.000 0.801 826 E CB -0.290 29.399 29.700 -0.018 0.000 0.746 826 E HN 0.655 nan 8.360 nan 0.000 0.450 827 H N 0.202 119.313 119.070 0.068 0.000 2.352 827 H HA -0.093 4.463 4.556 0.000 0.000 0.299 827 H C 2.102 177.440 175.328 0.017 0.000 1.097 827 H CA 0.910 56.988 56.048 0.050 0.000 1.311 827 H CB 0.027 29.835 29.762 0.077 0.000 1.377 827 H HN 0.076 nan 8.280 nan 0.000 0.504 828 L N 0.107 121.404 121.223 0.124 0.000 2.395 828 L HA -0.050 4.290 4.340 0.000 0.000 0.218 828 L C 2.015 178.890 176.870 0.008 0.000 1.130 828 L CA 1.283 56.148 54.840 0.041 0.000 0.826 828 L CB 0.070 42.125 42.059 -0.006 0.000 0.941 828 L HN 0.473 nan 8.230 nan 0.000 0.451 829 T N -6.006 108.554 114.554 0.011 0.000 2.959 829 T HA 0.230 4.581 4.350 0.000 0.000 0.254 829 T C 1.440 176.161 174.700 0.034 0.000 1.003 829 T CA 0.446 62.561 62.100 0.024 0.000 0.950 829 T CB 0.807 69.703 68.868 0.046 0.000 1.090 829 T HN 0.252 nan 8.240 nan 0.000 0.503 830 G N 1.802 110.620 108.800 0.029 0.000 2.179 830 G HA2 -0.214 3.746 3.960 0.000 0.000 0.257 830 G HA3 -0.214 3.746 3.960 0.000 0.000 0.257 830 G C -0.095 174.881 174.900 0.127 0.000 1.010 830 G CA 0.578 45.743 45.100 0.108 0.000 0.736 830 G HN 0.667 nan 8.290 nan 0.000 0.513 831 L N -0.560 120.643 121.223 -0.034 0.000 2.352 831 L HA 0.703 5.043 4.340 0.000 0.000 0.269 831 L C -0.107 176.503 176.870 -0.433 0.000 1.034 831 L CA -0.908 53.761 54.840 -0.285 0.000 0.806 831 L CB 1.654 43.403 42.059 -0.517 0.000 1.244 831 L HN 0.136 nan 8.230 nan 0.000 0.447 832 D N 0.387 120.486 120.400 -0.503 0.000 2.549 832 D HA 0.472 5.113 4.640 0.000 0.000 0.251 832 D C -1.010 175.038 176.300 -0.419 0.000 1.153 832 D CA -0.253 53.553 54.000 -0.324 0.000 0.861 832 D CB 0.990 41.732 40.800 -0.098 0.000 1.207 832 D HN 0.080 nan 8.370 nan 0.000 0.543 833 F N 2.231 122.151 119.950 -0.051 0.000 2.410 833 F HA 0.332 4.859 4.527 0.000 0.000 0.324 833 F C 0.292 176.082 175.800 -0.018 0.000 1.093 833 F CA -0.676 57.220 58.000 -0.174 0.000 1.028 833 F CB 0.572 39.350 39.000 -0.370 0.000 1.309 833 F HN 0.321 nan 8.300 nan 0.000 0.499 834 Y N -0.559 119.891 120.300 0.250 0.000 3.305 834 Y HA -0.247 4.304 4.550 0.001 0.000 0.212 834 Y C 1.255 177.236 175.900 0.136 0.000 1.248 834 Y CA -0.079 58.120 58.100 0.164 0.000 1.359 834 Y CB -1.902 36.595 38.460 0.062 0.000 1.407 834 Y HN 0.454 nan 8.280 nan 0.000 0.572 835 R N 0.150 120.762 120.500 0.188 0.000 2.240 835 R HA 0.065 4.406 4.340 0.000 0.000 0.203 835 R C 0.269 176.625 176.300 0.094 0.000 1.011 835 R CA 0.659 56.819 56.100 0.099 0.000 1.007 835 R CB 0.212 30.528 30.300 0.026 0.000 0.911 835 R HN 0.018 nan 8.270 nan 0.000 0.468 836 K N 1.544 122.030 120.400 0.145 0.000 2.540 836 K HA 0.185 4.505 4.320 0.000 0.000 0.218 836 K C -0.501 176.207 176.600 0.180 0.000 1.017 836 K CA -0.092 56.270 56.287 0.126 0.000 1.029 836 K CB 1.605 34.166 32.500 0.100 0.000 1.348 836 K HN 0.075 nan 8.250 nan 0.000 0.508 837 T N -2.990 111.661 114.554 0.162 0.000 2.838 837 T HA 0.278 4.628 4.350 0.000 0.000 0.292 837 T C 0.902 175.665 174.700 0.105 0.000 1.113 837 T CA -0.622 61.582 62.100 0.174 0.000 1.008 837 T CB 1.378 70.355 68.868 0.182 0.000 1.259 837 T HN 0.150 nan 8.240 nan 0.000 0.520 838 S N -0.557 115.196 115.700 0.089 0.000 2.605 838 S HA 0.247 4.718 4.470 0.000 0.000 0.217 838 S C 0.593 175.217 174.600 0.039 0.000 0.958 838 S CA -0.712 57.521 58.200 0.055 0.000 0.919 838 S CB -0.326 62.901 63.200 0.046 0.000 0.780 838 S HN 0.606 nan 8.310 nan 0.000 0.507 839 R N 2.390 122.915 120.500 0.040 0.000 2.596 839 R HA 0.520 4.860 4.340 0.000 0.000 0.267 839 R C 0.486 176.812 176.300 0.043 0.000 1.026 839 R CA -0.399 55.713 56.100 0.020 0.000 1.087 839 R CB 0.381 30.672 30.300 -0.014 0.000 1.132 839 R HN 0.425 nan 8.270 nan 0.000 0.531 840 S N 0.083 115.805 115.700 0.036 0.000 2.584 840 S HA -0.028 4.443 4.470 0.000 0.000 0.270 840 S C 0.984 175.662 174.600 0.130 0.000 1.346 840 S CA -0.413 57.827 58.200 0.067 0.000 1.018 840 S CB 0.325 63.550 63.200 0.042 0.000 0.899 840 S HN 0.596 nan 8.310 nan 0.000 0.542 841 Y N 2.339 122.639 120.300 0.002 0.000 2.224 841 Y HA -0.052 4.498 4.550 0.000 0.000 0.289 841 Y C 2.515 178.425 175.900 0.016 0.000 1.146 841 Y CA 1.511 59.619 58.100 0.013 0.000 1.182 841 Y CB -1.054 37.414 38.460 0.015 0.000 0.983 841 Y HN 0.765 nan 8.280 nan 0.000 0.524 842 S N 0.086 115.778 115.700 -0.013 0.000 2.368 842 S HA -0.190 4.280 4.470 0.000 0.000 0.225 842 S C 1.821 176.379 174.600 -0.069 0.000 1.030 842 S CA 1.521 59.672 58.200 -0.081 0.000 0.999 842 S CB -0.240 62.954 63.200 -0.010 0.000 0.844 842 S HN 0.574 nan 8.310 nan 0.000 0.459 843 E N 0.577 120.748 120.200 -0.048 0.000 2.110 843 E HA -0.093 4.257 4.350 0.000 0.000 0.193 843 E C 1.809 178.339 176.600 -0.116 0.000 0.988 843 E CA 0.807 57.150 56.400 -0.094 0.000 0.804 843 E CB -0.120 29.529 29.700 -0.085 0.000 0.745 843 E HN 0.346 nan 8.360 nan 0.000 0.458 844 I N 0.948 121.475 120.570 -0.072 0.000 2.315 844 I HA -0.206 3.964 4.170 0.000 0.000 0.248 844 I C 2.274 178.337 176.117 -0.089 0.000 1.117 844 I CA 1.151 62.402 61.300 -0.081 0.000 1.404 844 I CB -0.842 37.210 38.000 0.086 0.000 1.071 844 I HN 0.180 nan 8.210 nan 0.000 0.419 845 L N 0.056 121.198 121.223 -0.135 0.000 2.046 845 L HA -0.209 4.131 4.340 0.000 0.000 0.208 845 L C 2.525 179.360 176.870 -0.059 0.000 1.077 845 L CA 1.444 56.206 54.840 -0.130 0.000 0.747 845 L CB -1.013 40.907 42.059 -0.232 0.000 0.896 845 L HN 0.213 nan 8.230 nan 0.000 0.432 846 T N 0.417 114.933 114.554 -0.064 0.000 2.684 846 T HA -0.240 4.110 4.350 0.000 0.000 0.267 846 T C 1.857 176.529 174.700 -0.047 0.000 1.036 846 T CA 1.574 63.651 62.100 -0.039 0.000 1.148 846 T CB -0.359 68.438 68.868 -0.119 0.000 0.863 846 T HN 0.140 nan 8.240 nan 0.000 0.436 847 L N 1.204 122.352 121.223 -0.125 0.000 2.042 847 L HA -0.085 4.256 4.340 0.000 0.000 0.210 847 L C 2.193 179.028 176.870 -0.059 0.000 1.076 847 L CA 1.829 56.566 54.840 -0.173 0.000 0.749 847 L CB -0.432 41.410 42.059 -0.362 0.000 0.893 847 L HN 0.107 nan 8.230 nan 0.000 0.432 848 K N -1.251 119.134 120.400 -0.024 0.000 2.283 848 K HA -0.067 4.253 4.320 0.000 0.000 0.202 848 K C 1.711 178.358 176.600 0.078 0.000 1.048 848 K CA 1.520 57.847 56.287 0.066 0.000 0.948 848 K CB -0.254 32.312 32.500 0.110 0.000 0.742 848 K HN 0.615 nan 8.250 nan 0.000 0.458 849 T N -2.306 112.294 114.554 0.077 0.000 3.081 849 T HA -0.048 4.302 4.350 0.000 0.000 0.250 849 T C 0.569 175.338 174.700 0.115 0.000 1.100 849 T CA -0.371 61.786 62.100 0.095 0.000 1.038 849 T CB -0.367 68.556 68.868 0.092 0.000 0.962 849 T HN 0.083 nan 8.240 nan 0.000 0.516 850 Y N 1.905 122.201 120.300 -0.006 0.000 2.712 850 Y HA 0.410 4.960 4.550 0.000 0.000 0.333 850 Y C -0.323 175.575 175.900 -0.003 0.000 1.225 850 Y CA -1.577 56.511 58.100 -0.020 0.000 1.499 850 Y CB 0.306 38.719 38.460 -0.078 0.000 1.288 850 Y HN 0.207 nan 8.280 nan 0.000 0.575 851 L N 7.130 127.876 121.223 -0.795 0.000 2.349 851 L HA 0.330 4.670 4.340 0.000 0.000 0.278 851 L C -1.172 175.126 176.870 -0.954 0.000 0.996 851 L CA -0.525 53.944 54.840 -0.619 0.000 0.825 851 L CB 1.019 42.935 42.059 -0.239 0.000 1.243 851 L HN 0.788 nan 8.230 nan 0.000 0.412 852 H N 2.855 121.448 119.070 -0.796 0.000 2.944 852 H HA 0.152 4.708 4.556 0.001 0.000 0.278 852 H C 0.590 175.632 175.328 -0.476 0.000 1.083 852 H CA 0.444 56.126 56.048 -0.610 0.000 1.479 852 H CB 0.976 30.471 29.762 -0.444 0.000 1.486 852 H HN 0.874 nan 8.280 nan 0.000 0.493 853 T N 1.207 115.656 114.554 -0.174 0.000 3.057 853 T HA -0.075 4.275 4.350 0.000 0.000 0.254 853 T C 0.453 175.180 174.700 0.045 0.000 1.094 853 T CA 0.072 62.144 62.100 -0.047 0.000 1.088 853 T CB -0.074 68.806 68.868 0.020 0.000 0.934 853 T HN 0.775 nan 8.240 nan 0.000 0.497 854 Y N 1.040 121.316 120.300 -0.040 0.000 4.177 854 Y HA -0.177 4.374 4.550 0.001 0.000 0.227 854 Y C 0.556 176.462 175.900 0.011 0.000 1.154 854 Y CA 0.230 58.295 58.100 -0.059 0.000 1.887 854 Y CB -2.511 35.889 38.460 -0.100 0.000 1.594 854 Y HN 0.368 nan 8.280 nan 0.000 0.668 855 E N 0.000 120.266 120.200 0.109 0.000 2.725 855 E HA 0.000 4.350 4.350 0.000 0.000 0.291 855 E CA 0.000 56.447 56.400 0.078 0.000 0.976 855 E CB 0.000 29.721 29.700 0.034 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440