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 3nko_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 DFDLGcTcDX XXXXXXXXXX XXXXGSTEER 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 0.000 176.508 176.519 -0.019 0.000 1.175 51 W CA 0.000 57.337 57.345 -0.014 0.000 1.226 51 W CB 0.000 29.454 29.460 -0.010 0.000 1.126 52 T N 5.110 119.151 114.554 -0.854 0.000 2.758 52 T HA 0.157 4.509 4.350 0.003 0.000 0.285 52 T C -0.420 173.386 174.700 -1.490 0.000 0.981 52 T CA -0.464 61.096 62.100 -0.901 0.000 0.965 52 T CB 0.484 69.080 68.868 -0.453 0.000 0.927 52 T HN 0.352 nan 8.240 nan 0.000 0.448 53 N N 2.697 120.573 118.700 -1.372 0.000 2.498 53 N HA -0.021 4.721 4.740 0.003 0.000 0.277 53 N C 1.280 176.552 175.510 -0.398 0.000 1.208 53 N CA 0.158 52.600 53.050 -1.015 0.000 1.029 53 N CB 0.709 38.889 38.487 -0.511 0.000 1.403 53 N HN 0.600 nan 8.380 nan 0.000 0.500 54 T N 0.426 114.816 114.554 -0.274 0.000 3.163 54 T HA 0.031 4.383 4.350 0.003 0.000 0.260 54 T C 1.137 175.881 174.700 0.073 0.000 1.156 54 T CA 0.738 62.787 62.100 -0.086 0.000 1.072 54 T CB -0.012 68.834 68.868 -0.037 0.000 0.937 54 T HN 0.335 nan 8.240 nan 0.000 0.528 55 S N 0.090 115.831 115.700 0.068 0.000 2.496 55 S HA 0.293 4.765 4.470 0.003 0.000 0.224 55 S C 1.394 176.122 174.600 0.213 0.000 0.996 55 S CA 0.098 58.376 58.200 0.129 0.000 0.927 55 S CB -0.210 63.035 63.200 0.074 0.000 0.774 55 S HN 0.768 nan 8.310 nan 0.000 0.524 56 G N 1.236 110.107 108.800 0.119 0.000 2.744 56 G HA2 0.331 4.292 3.960 0.003 0.000 0.257 56 G HA3 0.331 4.292 3.960 0.003 0.000 0.257 56 G C -0.280 174.673 174.900 0.088 0.000 1.244 56 G CA -0.193 44.958 45.100 0.085 0.000 0.916 56 G HN 0.313 nan 8.290 nan 0.000 0.564 57 S N -2.295 113.414 115.700 0.015 0.000 2.536 57 S HA 0.285 4.757 4.470 0.003 0.000 0.298 57 S C 0.377 174.938 174.600 -0.066 0.000 1.083 57 S CA -0.800 57.354 58.200 -0.076 0.000 0.995 57 S CB 1.350 64.546 63.200 -0.007 0.000 1.058 57 S HN 0.580 nan 8.310 nan 0.000 0.488 58 c N 3.526 122.073 118.600 -0.088 0.000 2.524 58 c HA 0.422 4.994 4.570 0.003 0.000 0.301 58 c C 1.344 175.427 174.090 -0.012 0.000 1.296 58 c CA -0.125 56.190 56.329 -0.024 0.000 1.683 58 c CB -2.175 40.353 42.510 0.030 0.000 1.764 58 c HN 0.899 nan 8.230 nan 0.000 0.597 59 K N 0.324 120.714 120.400 -0.017 0.000 2.447 59 K HA 0.403 4.725 4.320 0.003 0.000 0.281 59 K C 1.260 177.870 176.600 0.017 0.000 1.031 59 K CA 0.618 56.905 56.287 0.001 0.000 1.019 59 K CB -0.683 31.820 32.500 0.005 0.000 0.918 59 K HN 1.235 nan 8.250 nan 0.000 0.476 60 G N 1.746 110.562 108.800 0.028 0.000 2.203 60 G HA2 -0.298 3.664 3.960 0.003 0.000 0.263 60 G HA3 -0.298 3.664 3.960 0.003 0.000 0.263 60 G C 0.846 175.781 174.900 0.057 0.000 1.012 60 G CA 0.865 45.991 45.100 0.042 0.000 0.749 60 G HN 0.799 nan 8.290 nan 0.000 0.512 61 R N -1.612 118.924 120.500 0.060 0.000 2.541 61 R HA 0.193 4.535 4.340 0.003 0.000 0.332 61 R C 0.993 177.357 176.300 0.106 0.000 0.951 61 R CA 0.008 56.151 56.100 0.071 0.000 1.136 61 R CB 0.281 30.602 30.300 0.036 0.000 1.449 61 R HN 0.357 nan 8.270 nan 0.000 0.531 62 c N 2.360 121.027 118.600 0.111 0.000 2.523 62 c HA -0.024 4.547 4.570 0.003 0.000 0.406 62 c C 0.777 175.043 174.090 0.293 0.000 1.449 62 c CA 0.466 56.864 56.329 0.116 0.000 1.588 62 c CB -1.775 40.810 42.510 0.124 0.000 2.514 62 c HN 0.627 nan 8.230 nan 0.000 0.606 63 F N 0.781 120.918 119.950 0.312 0.000 3.004 63 F HA -0.205 4.324 4.527 0.004 0.000 0.264 63 F C 1.147 177.220 175.800 0.455 0.000 0.979 63 F CA 1.116 59.352 58.000 0.393 0.000 0.896 63 F CB -1.409 37.799 39.000 0.348 0.000 0.813 63 F HN 0.796 nan 8.300 nan 0.000 0.804 64 E N 0.259 120.664 120.200 0.342 0.000 2.404 64 E HA 0.249 4.601 4.350 0.003 0.000 0.261 64 E C 0.560 177.244 176.600 0.141 0.000 1.074 64 E CA -0.496 56.041 56.400 0.228 0.000 0.917 64 E CB 0.840 30.603 29.700 0.105 0.000 0.965 64 E HN 0.554 nan 8.360 nan 0.000 0.433 65 L N 0.629 121.862 121.223 0.015 0.000 2.463 65 L HA -0.017 4.325 4.340 0.003 0.000 0.219 65 L C 1.267 178.072 176.870 -0.108 0.000 1.088 65 L CA -0.135 54.622 54.840 -0.138 0.000 0.849 65 L CB -0.287 41.597 42.059 -0.293 0.000 1.012 65 L HN 0.630 nan 8.230 nan 0.000 0.468 66 Q N 1.266 121.028 119.800 -0.063 0.000 2.349 66 Q HA 0.158 4.499 4.340 0.003 0.000 0.287 66 Q C 0.030 175.986 176.000 -0.073 0.000 1.044 66 Q CA 0.241 56.007 55.803 -0.061 0.000 0.918 66 Q CB 0.155 28.869 28.738 -0.039 0.000 1.242 66 Q HN 0.246 nan 8.270 nan 0.000 0.405 67 E N 2.400 122.553 120.200 -0.078 0.000 2.344 67 E HA 0.433 4.784 4.350 0.003 0.000 0.270 67 E C -0.906 175.639 176.600 -0.092 0.000 1.021 67 E CA -0.485 55.861 56.400 -0.091 0.000 0.887 67 E CB 1.316 30.966 29.700 -0.082 0.000 0.997 67 E HN 0.493 nan 8.360 nan 0.000 0.429 68 V N 2.680 122.524 119.914 -0.117 0.000 2.462 68 V HA 0.688 4.809 4.120 0.003 0.000 0.288 68 V C 0.566 176.571 176.094 -0.149 0.000 1.020 68 V CA -0.295 61.934 62.300 -0.118 0.000 0.857 68 V CB 1.703 33.457 31.823 -0.114 0.000 1.013 68 V HN 0.998 nan 8.190 nan 0.000 0.431 69 G N 4.663 113.384 108.800 -0.131 0.000 2.471 69 G HA2 0.750 4.712 3.960 0.003 0.000 0.332 69 G HA3 0.750 4.712 3.960 0.003 0.000 0.332 69 G C -2.950 171.871 174.900 -0.131 0.000 1.176 69 G CA -1.906 43.108 45.100 -0.144 0.000 0.949 69 G HN 0.497 nan 8.290 nan 0.000 0.488 70 P HA 0.084 nan 4.420 nan 0.000 0.266 70 P C -1.708 175.546 177.300 -0.078 0.000 1.186 70 P CA -0.563 62.460 63.100 -0.128 0.000 0.767 70 P CB 0.536 32.178 31.700 -0.097 0.000 0.820 71 P HA 0.103 nan 4.420 nan 0.000 0.255 71 P C -0.546 176.613 177.300 -0.235 0.000 1.248 71 P CA 0.384 63.396 63.100 -0.147 0.000 0.807 71 P CB 0.218 31.912 31.700 -0.011 0.000 1.150 72 D N 1.050 121.355 120.400 -0.157 0.000 2.424 72 D HA 0.037 4.678 4.640 0.003 0.000 0.244 72 D C 0.767 176.952 176.300 -0.191 0.000 1.134 72 D CA -0.053 53.857 54.000 -0.151 0.000 0.881 72 D CB 0.608 41.347 40.800 -0.102 0.000 1.191 72 D HN 0.243 nan 8.370 nan 0.000 0.445 73 c N 1.938 120.427 118.600 -0.185 0.000 2.520 73 c HA 0.702 5.273 4.570 0.003 0.000 0.376 73 c C 0.509 174.500 174.090 -0.166 0.000 1.268 73 c CA -0.967 55.248 56.329 -0.190 0.000 2.414 73 c CB 0.336 42.749 42.510 -0.163 0.000 2.521 73 c HN 0.496 nan 8.230 nan 0.000 0.618 74 R N 0.896 121.276 120.500 -0.200 0.000 2.856 74 R HA 0.664 5.006 4.340 0.003 0.000 0.258 74 R C -0.573 175.571 176.300 -0.260 0.000 1.066 74 R CA -0.697 55.274 56.100 -0.215 0.000 1.045 74 R CB 1.176 31.325 30.300 -0.251 0.000 1.178 74 R HN 0.842 nan 8.270 nan 0.000 0.499 75 c N -0.034 118.426 118.600 -0.233 0.000 3.359 75 c HA 0.175 4.747 4.570 0.003 0.000 0.258 75 c C 0.006 173.954 174.090 -0.236 0.000 1.840 75 c CA -0.726 55.482 56.329 -0.201 0.000 1.746 75 c CB -1.102 41.417 42.510 0.014 0.000 3.306 75 c HN 0.852 nan 8.230 nan 0.000 0.485 76 D N -0.065 120.158 120.400 -0.296 0.000 2.589 76 D HA 0.138 4.780 4.640 0.003 0.000 0.268 76 D C 0.411 176.635 176.300 -0.127 0.000 1.182 76 D CA -0.443 53.493 54.000 -0.107 0.000 1.087 76 D CB 0.497 41.274 40.800 -0.038 0.000 1.186 76 D HN -0.060 nan 8.370 nan 0.000 0.620 77 N N -0.912 117.848 118.700 0.099 0.000 2.106 77 N HA -0.129 4.613 4.740 0.003 0.000 0.188 77 N C 1.930 177.456 175.510 0.028 0.000 1.029 77 N CA 1.423 54.557 53.050 0.140 0.000 0.848 77 N CB -0.431 38.093 38.487 0.062 0.000 1.007 77 N HN 0.491 nan 8.380 nan 0.000 0.423 78 L N 1.708 122.927 121.223 -0.006 0.000 2.549 78 L HA -0.050 4.292 4.340 0.003 0.000 0.229 78 L C 3.002 179.914 176.870 0.071 0.000 1.158 78 L CA 1.663 56.556 54.840 0.089 0.000 0.842 78 L CB -2.340 39.808 42.059 0.148 0.000 0.952 78 L HN 0.588 nan 8.230 nan 0.000 0.452 79 c N -0.863 117.648 118.600 -0.150 0.000 2.432 79 c HA -0.172 4.400 4.570 0.003 0.000 0.277 79 c C 2.670 176.648 174.090 -0.187 0.000 1.249 79 c CA 1.083 57.264 56.329 -0.247 0.000 1.725 79 c CB -1.086 41.114 42.510 -0.517 0.000 2.028 79 c HN 0.694 nan 8.230 nan 0.000 0.477 80 K N 1.948 122.229 120.400 -0.198 0.000 2.032 80 K HA -0.107 4.214 4.320 0.003 0.000 0.209 80 K C 2.238 178.765 176.600 -0.122 0.000 1.048 80 K CA 1.967 58.189 56.287 -0.108 0.000 0.927 80 K CB -0.704 31.793 32.500 -0.006 0.000 0.712 80 K HN 0.582 nan 8.250 nan 0.000 0.441 81 S N 0.634 116.227 115.700 -0.178 0.000 2.442 81 S HA -0.121 4.350 4.470 0.003 0.000 0.236 81 S C 1.208 175.397 174.600 -0.686 0.000 1.007 81 S CA 1.130 59.060 58.200 -0.449 0.000 0.965 81 S CB -0.233 62.568 63.200 -0.665 0.000 0.773 81 S HN 0.323 nan 8.310 nan 0.000 0.504 82 Y N 0.896 120.981 120.300 -0.359 0.000 2.507 82 Y HA 0.323 4.875 4.550 0.003 0.000 0.254 82 Y C 0.917 176.693 175.900 -0.207 0.000 1.171 82 Y CA -0.651 57.266 58.100 -0.305 0.000 1.238 82 Y CB -0.090 38.196 38.460 -0.290 0.000 1.148 82 Y HN -0.033 nan 8.280 nan 0.000 0.525 83 S N 0.736 116.393 115.700 -0.071 0.000 3.524 83 S HA -0.196 4.276 4.470 0.003 0.000 0.377 83 S C 0.867 175.419 174.600 -0.079 0.000 0.949 83 S CA 0.996 59.158 58.200 -0.063 0.000 1.264 83 S CB -1.535 61.638 63.200 -0.044 0.000 0.918 83 S HN 0.674 nan 8.310 nan 0.000 0.517 84 S N -2.895 112.738 115.700 -0.113 0.000 2.820 84 S HA 0.270 4.742 4.470 0.003 0.000 0.265 84 S C 0.510 174.989 174.600 -0.202 0.000 1.043 84 S CA -0.079 58.023 58.200 -0.163 0.000 1.245 84 S CB -0.146 62.952 63.200 -0.171 0.000 1.187 84 S HN 0.591 nan 8.310 nan 0.000 0.673 85 c N 2.669 121.140 118.600 -0.214 0.000 2.679 85 c HA 0.422 4.994 4.570 0.003 0.000 0.417 85 c C 1.526 175.538 174.090 -0.130 0.000 1.302 85 c CA -0.664 55.505 56.329 -0.268 0.000 1.973 85 c CB -0.955 41.376 42.510 -0.298 0.000 2.715 85 c HN 0.670 nan 8.230 nan 0.000 0.628 86 c N 3.686 122.224 118.600 -0.104 0.000 2.705 86 c HA 0.072 4.644 4.570 0.003 0.000 0.382 86 c C 2.198 176.266 174.090 -0.035 0.000 1.322 86 c CA -0.276 56.014 56.329 -0.065 0.000 2.290 86 c CB -0.129 42.320 42.510 -0.102 0.000 2.650 86 c HN 1.036 nan 8.230 nan 0.000 0.695 87 H N 1.089 120.173 119.070 0.022 0.000 2.518 87 H HA -0.083 4.475 4.556 0.003 0.000 0.289 87 H C 0.513 175.873 175.328 0.054 0.000 1.051 87 H CA 1.753 57.822 56.048 0.036 0.000 1.280 87 H CB -0.370 29.407 29.762 0.025 0.000 1.380 87 H HN 0.819 nan 8.280 nan 0.000 0.566 88 D N -0.665 119.447 120.400 -0.481 0.000 2.462 88 D HA -0.030 4.611 4.640 0.003 0.000 0.221 88 D C 1.526 177.763 176.300 -0.106 0.000 1.173 88 D CA -0.699 53.145 54.000 -0.259 0.000 0.831 88 D CB -1.013 39.572 40.800 -0.359 0.000 1.001 88 D HN 0.218 nan 8.370 nan 0.000 0.499 89 F N 2.069 121.917 119.950 -0.169 0.000 2.026 89 F HA -0.159 4.370 4.527 0.003 0.000 0.296 89 F C 1.177 176.927 175.800 -0.084 0.000 1.133 89 F CA 1.857 59.775 58.000 -0.136 0.000 1.188 89 F CB -0.305 38.615 39.000 -0.134 0.000 0.968 89 F HN -0.169 nan 8.300 nan 0.000 0.476 90 D N -0.247 120.075 120.400 -0.129 0.000 2.123 90 D HA -0.234 4.408 4.640 0.003 0.000 0.196 90 D C 2.218 178.405 176.300 -0.188 0.000 0.992 90 D CA 1.731 55.612 54.000 -0.199 0.000 0.833 90 D CB -0.289 40.515 40.800 0.007 0.000 0.954 90 D HN 0.560 nan 8.370 nan 0.000 0.455 91 E N 0.137 120.269 120.200 -0.112 0.000 2.047 91 E HA -0.132 4.220 4.350 0.003 0.000 0.191 91 E C 1.935 178.475 176.600 -0.101 0.000 0.987 91 E CA 0.684 57.036 56.400 -0.080 0.000 0.799 91 E CB 0.028 29.707 29.700 -0.035 0.000 0.752 91 E HN 0.284 nan 8.360 nan 0.000 0.449 92 L N -0.157 120.987 121.223 -0.132 0.000 2.209 92 L HA -0.035 4.307 4.340 0.003 0.000 0.207 92 L C 2.203 178.995 176.870 -0.130 0.000 1.094 92 L CA 0.412 55.189 54.840 -0.104 0.000 0.790 92 L CB 0.185 42.195 42.059 -0.082 0.000 0.932 92 L HN 0.346 nan 8.230 nan 0.000 0.447 93 c N -0.893 117.532 118.600 -0.291 0.000 3.065 93 c HA 0.259 4.831 4.570 0.003 0.000 0.285 93 c C 1.469 175.452 174.090 -0.178 0.000 1.257 93 c CA -0.385 55.760 56.329 -0.307 0.000 1.691 93 c CB -0.112 41.949 42.510 -0.748 0.000 2.089 93 c HN 0.306 nan 8.230 nan 0.000 0.630 94 L N 1.105 122.197 121.223 -0.220 0.000 3.168 94 L HA 0.219 4.561 4.340 0.003 0.000 0.277 94 L C -0.116 176.751 176.870 -0.006 0.000 1.308 94 L CA 0.063 54.869 54.840 -0.057 0.000 0.976 94 L CB -0.288 41.709 42.059 -0.105 0.000 1.383 94 L HN 0.222 nan 8.230 nan 0.000 0.572 95 K N 0.477 120.869 120.400 -0.013 0.000 2.485 95 K HA 0.086 4.408 4.320 0.003 0.000 0.277 95 K C 1.144 177.682 176.600 -0.104 0.000 0.990 95 K CA 0.574 56.828 56.287 -0.055 0.000 0.994 95 K CB 0.828 33.288 32.500 -0.065 0.000 0.906 95 K HN 0.220 nan 8.250 nan 0.000 0.488 96 T N -2.316 112.127 114.554 -0.185 0.000 2.986 96 T HA 0.185 4.537 4.350 0.003 0.000 0.264 96 T C 0.627 175.072 174.700 -0.426 0.000 0.964 96 T CA -0.304 61.587 62.100 -0.349 0.000 0.895 96 T CB 0.378 69.147 68.868 -0.165 0.000 1.163 96 T HN 0.532 nan 8.240 nan 0.000 0.517 97 A N 2.525 125.175 122.820 -0.284 0.000 2.573 97 A HA 0.361 4.682 4.320 0.003 0.000 0.250 97 A C 1.134 178.538 177.584 -0.299 0.000 1.049 97 A CA 0.442 52.335 52.037 -0.240 0.000 0.767 97 A CB -0.598 18.303 19.000 -0.165 0.000 0.965 97 A HN 0.594 nan 8.150 nan 0.000 0.514 98 R N 0.912 121.259 120.500 -0.256 0.000 3.840 98 R HA -0.210 4.132 4.340 0.003 0.000 0.464 98 R C 1.025 177.136 176.300 -0.315 0.000 0.986 98 R CA 1.161 57.120 56.100 -0.234 0.000 1.305 98 R CB -2.477 27.709 30.300 -0.189 0.000 1.950 98 R HN 2.794 nan 8.270 nan 0.000 0.526 99 G N -0.502 107.986 108.800 -0.520 0.000 2.645 99 G HA2 -0.304 3.658 3.960 0.003 0.000 0.239 99 G HA3 -0.304 3.658 3.960 0.003 0.000 0.239 99 G C -0.004 174.430 174.900 -0.776 0.000 1.331 99 G CA 0.267 44.922 45.100 -0.742 0.000 0.890 99 G HN 0.268 nan 8.290 nan 0.000 0.572 100 W N 0.829 122.101 121.300 -0.046 0.000 3.008 100 W HA 0.528 5.190 4.660 0.003 0.000 0.355 100 W C 0.875 177.376 176.519 -0.031 0.000 1.095 100 W CA 0.042 57.359 57.345 -0.047 0.000 1.738 100 W CB 0.660 30.094 29.460 -0.043 0.000 1.091 100 W HN 0.519 nan 8.180 nan 0.000 0.574 101 E N 0.071 120.335 120.200 0.108 0.000 2.248 101 E HA 0.319 4.671 4.350 0.003 0.000 0.267 101 E C -0.854 175.773 176.600 0.046 0.000 0.877 101 E CA -0.885 55.569 56.400 0.091 0.000 0.759 101 E CB 1.799 31.553 29.700 0.090 0.000 1.182 101 E HN -0.237 nan 8.360 nan 0.000 0.418 102 c N 2.419 121.061 118.600 0.070 0.000 2.662 102 c HA 0.298 4.869 4.570 0.003 0.000 0.420 102 c C 0.826 174.944 174.090 0.047 0.000 1.314 102 c CA -0.209 56.162 56.329 0.070 0.000 1.963 102 c CB -0.670 41.924 42.510 0.141 0.000 2.686 102 c HN 0.693 nan 8.230 nan 0.000 0.609 103 T N -0.432 114.141 114.554 0.032 0.000 2.932 103 T HA 0.584 4.936 4.350 0.003 0.000 0.289 103 T C 0.860 175.571 174.700 0.019 0.000 1.039 103 T CA -0.182 61.930 62.100 0.019 0.000 1.024 103 T CB 1.542 70.414 68.868 0.007 0.000 1.090 103 T HN 0.742 nan 8.240 nan 0.000 0.496 104 K N 1.071 121.476 120.400 0.008 0.000 2.127 104 K HA -0.197 4.125 4.320 0.003 0.000 0.208 104 K C 1.600 178.206 176.600 0.010 0.000 1.047 104 K CA 2.341 58.630 56.287 0.003 0.000 0.927 104 K CB -1.589 30.907 32.500 -0.006 0.000 0.716 104 K HN 0.968 nan 8.250 nan 0.000 0.450 105 D N -1.018 119.387 120.400 0.008 0.000 2.378 105 D HA -0.120 4.521 4.640 0.003 0.000 0.227 105 D C 1.378 177.686 176.300 0.014 0.000 1.012 105 D CA 0.417 54.421 54.000 0.008 0.000 0.905 105 D CB -0.030 40.770 40.800 0.001 0.000 0.895 105 D HN 0.567 nan 8.370 nan 0.000 0.532 106 R N -0.558 119.958 120.500 0.026 0.000 2.373 106 R HA 0.183 4.524 4.340 0.003 0.000 0.221 106 R C 0.472 176.814 176.300 0.070 0.000 0.893 106 R CA -0.287 55.835 56.100 0.037 0.000 1.049 106 R CB 0.546 30.865 30.300 0.032 0.000 1.119 106 R HN 0.101 nan 8.270 nan 0.000 0.535 107 c N 1.733 120.379 118.600 0.076 0.000 2.611 107 c HA 0.179 4.750 4.570 0.003 0.000 0.416 107 c C 1.733 175.884 174.090 0.102 0.000 1.366 107 c CA 0.799 57.198 56.329 0.117 0.000 1.761 107 c CB -0.205 42.340 42.510 0.058 0.000 2.619 107 c HN 0.887 nan 8.230 nan 0.000 0.606 108 G N 2.909 111.796 108.800 0.146 0.000 2.233 108 G HA2 -0.240 3.722 3.960 0.003 0.000 0.270 108 G HA3 -0.240 3.722 3.960 0.003 0.000 0.270 108 G C 0.134 175.069 174.900 0.058 0.000 1.011 108 G CA 0.734 45.892 45.100 0.096 0.000 0.762 108 G HN 0.971 nan 8.290 nan 0.000 0.511 109 E N -0.984 119.250 120.200 0.056 0.000 2.447 109 E HA 0.373 4.724 4.350 0.003 0.000 0.259 109 E C 0.130 176.746 176.600 0.026 0.000 1.196 109 E CA -0.564 55.857 56.400 0.036 0.000 0.995 109 E CB 0.878 30.599 29.700 0.035 0.000 0.974 109 E HN 0.168 nan 8.360 nan 0.000 0.465 110 V N 1.643 121.568 119.914 0.019 0.000 2.498 110 V HA 0.081 4.203 4.120 0.003 0.000 0.279 110 V C 0.762 176.866 176.094 0.017 0.000 1.048 110 V CA -0.358 61.949 62.300 0.011 0.000 0.967 110 V CB 0.945 32.772 31.823 0.007 0.000 0.988 110 V HN 0.650 nan 8.190 nan 0.000 0.473 111 R N 4.524 125.027 120.500 0.004 0.000 2.513 111 R HA -0.045 4.296 4.340 0.003 0.000 0.333 111 R C -0.057 176.263 176.300 0.033 0.000 0.925 111 R CA 0.174 56.280 56.100 0.010 0.000 1.072 111 R CB -0.053 30.198 30.300 -0.083 0.000 0.914 111 R HN 0.731 nan 8.270 nan 0.000 0.408 112 N N 3.532 122.289 118.700 0.095 0.000 2.444 112 N HA 0.023 4.764 4.740 0.003 0.000 0.262 112 N C -0.132 175.469 175.510 0.152 0.000 0.974 112 N CA -0.371 52.724 53.050 0.076 0.000 0.933 112 N CB 1.417 39.926 38.487 0.037 0.000 1.137 112 N HN 0.554 nan 8.380 nan 0.000 0.498 113 E N 1.812 122.073 120.200 0.101 0.000 2.515 113 E HA -0.133 4.219 4.350 0.003 0.000 0.201 113 E C 0.277 176.934 176.600 0.095 0.000 1.071 113 E CA 0.445 56.922 56.400 0.129 0.000 0.880 113 E CB 0.387 30.113 29.700 0.043 0.000 0.828 113 E HN 0.635 nan 8.360 nan 0.000 0.540 114 E N 0.543 120.770 120.200 0.045 0.000 2.318 114 E HA 0.001 4.352 4.350 0.003 0.000 0.193 114 E C 0.212 176.772 176.600 -0.067 0.000 0.998 114 E CA 0.041 56.434 56.400 -0.012 0.000 0.859 114 E CB 0.212 29.898 29.700 -0.024 0.000 0.812 114 E HN 0.052 nan 8.360 nan 0.000 0.492 115 N N 0.009 118.651 118.700 -0.096 0.000 2.482 115 N HA 0.055 4.797 4.740 0.003 0.000 0.260 115 N C 0.586 175.897 175.510 -0.332 0.000 1.236 115 N CA 0.664 53.569 53.050 -0.242 0.000 0.938 115 N CB 1.267 39.572 38.487 -0.302 0.000 1.128 115 N HN 0.125 nan 8.380 nan 0.000 0.448 116 A N 0.791 123.386 122.820 -0.376 0.000 1.902 116 A HA -0.051 4.271 4.320 0.003 0.000 0.217 116 A C 0.901 178.325 177.584 -0.266 0.000 1.181 116 A CA 1.293 53.115 52.037 -0.359 0.000 0.623 116 A CB -0.467 18.089 19.000 -0.741 0.000 0.818 116 A HN 0.827 nan 8.150 nan 0.000 0.443 117 c N -4.314 114.053 118.600 -0.389 0.000 3.323 117 c HA 0.815 5.387 4.570 0.003 0.000 0.324 117 c C -0.638 173.113 174.090 -0.566 0.000 1.428 117 c CA -1.275 54.849 56.329 -0.342 0.000 1.368 117 c CB 0.728 43.213 42.510 -0.041 0.000 1.731 117 c HN 0.493 nan 8.230 nan 0.000 0.455 118 H N -1.317 117.713 119.070 -0.066 0.000 2.731 118 H HA 0.566 5.123 4.556 0.002 0.000 0.368 118 H C -0.617 174.609 175.328 -0.169 0.000 1.168 118 H CA -0.408 55.577 56.048 -0.106 0.000 1.181 118 H CB 1.823 31.515 29.762 -0.117 0.000 1.743 118 H HN 0.872 nan 8.280 nan 0.000 0.547 119 c N 0.730 119.312 118.600 -0.031 0.000 3.512 119 c HA 0.116 4.687 4.570 0.003 0.000 0.276 119 c C 1.118 175.182 174.090 -0.044 0.000 1.592 119 c CA -0.472 55.827 56.329 -0.051 0.000 1.803 119 c CB -1.033 41.560 42.510 0.139 0.000 2.996 119 c HN 0.759 nan 8.230 nan 0.000 0.590 120 S N 0.770 116.420 115.700 -0.083 0.000 2.603 120 S HA 0.250 4.722 4.470 0.003 0.000 0.268 120 S C 0.797 175.340 174.600 -0.095 0.000 1.317 120 S CA 0.137 58.312 58.200 -0.043 0.000 1.012 120 S CB 1.162 64.341 63.200 -0.034 0.000 0.926 120 S HN 0.355 nan 8.310 nan 0.000 0.539 121 E N 0.945 121.146 120.200 0.002 0.000 2.209 121 E HA -0.190 4.162 4.350 0.003 0.000 0.196 121 E C 1.051 177.646 176.600 -0.008 0.000 0.993 121 E CA 1.801 58.227 56.400 0.043 0.000 0.819 121 E CB -0.280 29.452 29.700 0.054 0.000 0.745 121 E HN 0.853 nan 8.360 nan 0.000 0.477 122 D N -1.090 119.277 120.400 -0.054 0.000 2.339 122 D HA -0.075 4.566 4.640 0.003 0.000 0.217 122 D C 1.813 178.054 176.300 -0.099 0.000 1.050 122 D CA 0.642 54.606 54.000 -0.059 0.000 0.856 122 D CB -1.120 39.645 40.800 -0.058 0.000 0.922 122 D HN 0.403 nan 8.370 nan 0.000 0.518 123 c N -0.777 117.717 118.600 -0.175 0.000 2.411 123 c HA -0.020 4.552 4.570 0.003 0.000 0.279 123 c C 2.370 176.387 174.090 -0.121 0.000 1.288 123 c CA -0.039 56.173 56.329 -0.194 0.000 1.764 123 c CB -1.564 40.764 42.510 -0.304 0.000 1.974 123 c HN 0.235 nan 8.230 nan 0.000 0.498 124 L N 2.963 124.131 121.223 -0.092 0.000 1.955 124 L HA -0.100 4.241 4.340 0.003 0.000 0.213 124 L C 3.095 179.974 176.870 0.014 0.000 1.072 124 L CA 2.844 57.682 54.840 -0.003 0.000 0.755 124 L CB -0.900 41.195 42.059 0.061 0.000 0.888 124 L HN 0.602 nan 8.230 nan 0.000 0.432 125 S N -1.110 114.598 115.700 0.012 0.000 2.442 125 S HA -0.180 4.292 4.470 0.003 0.000 0.236 125 S C 1.946 176.555 174.600 0.016 0.000 1.007 125 S CA 0.905 59.118 58.200 0.023 0.000 0.965 125 S CB -0.597 62.615 63.200 0.020 0.000 0.773 125 S HN 0.454 nan 8.310 nan 0.000 0.504 126 R N 0.917 121.411 120.500 -0.010 0.000 2.275 126 R HA 0.244 4.586 4.340 0.003 0.000 0.199 126 R C 1.541 177.846 176.300 0.009 0.000 0.989 126 R CA 0.399 56.491 56.100 -0.014 0.000 1.016 126 R CB -0.403 29.859 30.300 -0.063 0.000 0.918 126 R HN 0.554 nan 8.270 nan 0.000 0.473 127 G N 2.673 111.483 108.800 0.015 0.000 2.176 127 G HA2 -0.251 3.711 3.960 0.003 0.000 0.252 127 G HA3 -0.251 3.711 3.960 0.003 0.000 0.252 127 G C -0.169 174.750 174.900 0.031 0.000 1.024 127 G CA 0.672 45.792 45.100 0.035 0.000 0.755 127 G HN 0.564 nan 8.290 nan 0.000 0.507 128 D N -1.032 119.382 120.400 0.023 0.000 2.740 128 D HA 0.252 4.893 4.640 0.003 0.000 0.301 128 D C 0.799 177.154 176.300 0.091 0.000 1.408 128 D CA -0.210 53.834 54.000 0.074 0.000 0.808 128 D CB -0.995 39.883 40.800 0.129 0.000 1.128 128 D HN 0.265 nan 8.370 nan 0.000 0.465 129 c N 0.653 119.254 118.600 0.001 0.000 2.689 129 c HA 0.267 4.839 4.570 0.003 0.000 0.409 129 c C 1.335 175.442 174.090 0.028 0.000 1.293 129 c CA -0.769 55.528 56.329 -0.054 0.000 2.136 129 c CB 0.003 42.447 42.510 -0.110 0.000 2.719 129 c HN 0.504 nan 8.230 nan 0.000 0.644 130 c N 2.621 121.245 118.600 0.041 0.000 2.679 130 c HA 0.164 4.736 4.570 0.003 0.000 0.417 130 c C 2.237 176.393 174.090 0.109 0.000 1.302 130 c CA 0.399 56.779 56.329 0.085 0.000 1.973 130 c CB -0.148 42.417 42.510 0.091 0.000 2.715 130 c HN 1.064 nan 8.230 nan 0.000 0.628 131 T N -0.296 114.310 114.554 0.087 0.000 2.929 131 T HA -0.173 4.178 4.350 0.003 0.000 0.271 131 T C 1.077 175.828 174.700 0.083 0.000 1.085 131 T CA 1.690 63.828 62.100 0.065 0.000 1.125 131 T CB -0.431 68.449 68.868 0.020 0.000 0.874 131 T HN 0.842 nan 8.240 nan 0.000 0.494 132 N N 0.125 118.887 118.700 0.104 0.000 2.268 132 N HA -0.010 4.732 4.740 0.003 0.000 0.204 132 N C 1.164 176.707 175.510 0.054 0.000 1.124 132 N CA -0.422 52.671 53.050 0.072 0.000 0.838 132 N CB -0.705 37.848 38.487 0.109 0.000 0.994 132 N HN 0.494 nan 8.380 nan 0.000 0.489 133 Y N 1.751 122.044 120.300 -0.011 0.000 2.081 133 Y HA -0.225 4.327 4.550 0.003 0.000 0.280 133 Y C 2.094 177.975 175.900 -0.032 0.000 1.163 133 Y CA 2.131 60.224 58.100 -0.011 0.000 1.135 133 Y CB -0.251 38.213 38.460 0.006 0.000 0.970 133 Y HN 0.149 nan 8.280 nan 0.000 0.498 134 Q N -0.761 118.877 119.800 -0.270 0.000 2.119 134 Q HA -0.139 4.202 4.340 0.003 0.000 0.201 134 Q C 2.340 178.164 176.000 -0.293 0.000 0.972 134 Q CA 1.793 57.373 55.803 -0.373 0.000 0.847 134 Q CB -0.241 28.398 28.738 -0.166 0.000 0.903 134 Q HN 0.432 nan 8.270 nan 0.000 0.433 135 V N 0.061 119.826 119.914 -0.248 0.000 2.295 135 V HA -0.219 3.902 4.120 0.003 0.000 0.246 135 V C 2.147 178.109 176.094 -0.219 0.000 1.049 135 V CA 1.461 63.592 62.300 -0.282 0.000 1.024 135 V CB -0.390 31.132 31.823 -0.502 0.000 0.648 135 V HN 0.172 nan 8.190 nan 0.000 0.447 136 V N -1.532 118.271 119.914 -0.185 0.000 2.407 136 V HA -0.170 3.952 4.120 0.003 0.000 0.245 136 V C 2.210 178.214 176.094 -0.150 0.000 1.041 136 V CA 2.055 64.281 62.300 -0.123 0.000 1.040 136 V CB -0.036 31.755 31.823 -0.054 0.000 0.671 136 V HN 0.641 nan 8.190 nan 0.000 0.455 137 c N -0.891 117.549 118.600 -0.267 0.000 2.674 137 c HA 0.206 4.778 4.570 0.003 0.000 0.276 137 c C 1.833 175.748 174.090 -0.292 0.000 1.300 137 c CA -0.127 56.027 56.329 -0.292 0.000 1.732 137 c CB -0.378 41.859 42.510 -0.454 0.000 2.076 137 c HN 0.394 nan 8.230 nan 0.000 0.548 138 K N -0.005 120.205 120.400 -0.318 0.000 2.501 138 K HA 0.251 4.572 4.320 0.003 0.000 0.204 138 K C 1.116 177.624 176.600 -0.155 0.000 1.067 138 K CA 0.663 56.815 56.287 -0.224 0.000 1.060 138 K CB 0.493 32.842 32.500 -0.252 0.000 0.873 138 K HN 0.333 nan 8.250 nan 0.000 0.540 139 G N 1.673 110.384 108.800 -0.149 0.000 2.155 139 G HA2 -0.257 3.704 3.960 0.003 0.000 0.257 139 G HA3 -0.257 3.704 3.960 0.003 0.000 0.257 139 G C 0.153 174.985 174.900 -0.114 0.000 0.983 139 G CA 0.345 45.377 45.100 -0.113 0.000 0.676 139 G HN 0.238 nan 8.290 nan 0.000 0.528 140 E N 0.620 120.736 120.200 -0.141 0.000 2.391 140 E HA 0.482 4.834 4.350 0.003 0.000 0.255 140 E C 0.966 177.474 176.600 -0.153 0.000 1.187 140 E CA 0.531 56.853 56.400 -0.130 0.000 0.941 140 E CB 0.973 30.593 29.700 -0.132 0.000 1.010 140 E HN 0.589 nan 8.360 nan 0.000 0.458 141 S N 0.897 116.524 115.700 -0.123 0.000 2.578 141 S HA 0.305 4.776 4.470 0.003 0.000 0.283 141 S C 0.092 174.624 174.600 -0.113 0.000 1.195 141 S CA -0.860 57.272 58.200 -0.112 0.000 1.050 141 S CB 0.806 63.971 63.200 -0.059 0.000 1.012 141 S HN 0.352 nan 8.310 nan 0.000 0.511 142 H N 0.765 119.819 119.070 -0.027 0.000 2.972 142 H HA -0.053 4.504 4.556 0.002 0.000 0.343 142 H C 0.708 176.054 175.328 0.030 0.000 1.054 142 H CA 0.645 56.698 56.048 0.008 0.000 1.412 142 H CB 0.267 30.030 29.762 0.002 0.000 1.385 142 H HN 1.033 nan 8.280 nan 0.000 0.600 143 W N 4.226 125.527 121.300 0.002 0.000 2.325 143 W HA -0.213 4.452 4.660 0.008 0.000 0.299 143 W C 1.908 178.400 176.519 -0.045 0.000 1.215 143 W CA 1.693 59.001 57.345 -0.062 0.000 1.244 143 W CB -0.340 29.061 29.460 -0.098 0.000 1.140 143 W HN 0.414 nan 8.180 nan 0.000 0.523 144 V N 1.070 120.988 119.914 0.007 0.000 2.809 144 V HA -0.192 3.929 4.120 0.003 0.000 0.256 144 V C 1.414 177.338 176.094 -0.284 0.000 1.080 144 V CA 2.473 64.609 62.300 -0.274 0.000 1.102 144 V CB -0.538 31.248 31.823 -0.060 0.000 0.705 144 V HN 0.059 nan 8.190 nan 0.000 0.475 145 D N -0.145 120.166 120.400 -0.147 0.000 2.349 145 D HA 0.047 4.688 4.640 0.003 0.000 0.215 145 D C 0.242 176.452 176.300 -0.151 0.000 1.016 145 D CA 0.283 54.214 54.000 -0.114 0.000 0.870 145 D CB -0.002 40.784 40.800 -0.023 0.000 0.917 145 D HN 0.503 nan 8.370 nan 0.000 0.524 146 D N 1.522 121.784 120.400 -0.230 0.000 2.304 146 D HA 0.082 4.724 4.640 0.003 0.000 0.250 146 D C 0.126 176.288 176.300 -0.230 0.000 1.107 146 D CA -0.219 53.658 54.000 -0.204 0.000 0.885 146 D CB 0.965 41.647 40.800 -0.197 0.000 1.192 146 D HN -0.142 nan 8.370 nan 0.000 0.436 147 D N 0.474 120.795 120.400 -0.130 0.000 2.506 147 D HA -0.072 4.569 4.640 0.003 0.000 0.234 147 D C 0.248 176.501 176.300 -0.079 0.000 1.143 147 D CA -0.020 53.924 54.000 -0.094 0.000 0.871 147 D CB 0.476 41.250 40.800 -0.042 0.000 1.190 147 D HN 0.268 nan 8.370 nan 0.000 0.459 148 c N 3.128 121.703 118.600 -0.042 0.000 2.653 148 c HA 0.231 4.803 4.570 0.003 0.000 0.421 148 c C 0.227 174.396 174.090 0.133 0.000 1.334 148 c CA -0.045 56.325 56.329 0.068 0.000 1.885 148 c CB -0.781 41.793 42.510 0.107 0.000 2.645 148 c HN 0.591 nan 8.230 nan 0.000 0.601 149 E N 3.797 124.086 120.200 0.148 0.000 2.290 149 E HA 0.235 4.587 4.350 0.003 0.000 0.274 149 E C -0.950 175.593 176.600 -0.094 0.000 0.889 149 E CA -0.386 56.033 56.400 0.032 0.000 0.760 149 E CB 1.246 30.947 29.700 0.002 0.000 1.206 149 E HN 0.878 nan 8.360 nan 0.000 0.419 150 E N 4.175 124.064 120.200 -0.518 0.000 2.529 150 E HA -0.019 4.332 4.350 0.003 0.000 0.259 150 E C -0.595 175.819 176.600 -0.310 0.000 0.966 150 E CA 0.234 56.157 56.400 -0.794 0.000 0.937 150 E CB 0.463 29.495 29.700 -1.112 0.000 0.923 150 E HN 0.401 nan 8.360 nan 0.000 0.468 151 I N 5.990 126.439 120.570 -0.202 0.000 2.310 151 I HA 0.181 4.353 4.170 0.003 0.000 0.287 151 I C 1.347 177.397 176.117 -0.112 0.000 1.073 151 I CA -0.229 60.990 61.300 -0.133 0.000 1.216 151 I CB 0.845 38.772 38.000 -0.122 0.000 1.415 151 I HN 0.561 nan 8.210 nan 0.000 0.480 152 R N 4.182 124.618 120.500 -0.107 0.000 2.200 152 R HA 0.132 4.474 4.340 0.003 0.000 0.208 152 R C 0.167 176.435 176.300 -0.053 0.000 1.033 152 R CA 0.634 56.686 56.100 -0.080 0.000 1.000 152 R CB 0.549 30.799 30.300 -0.083 0.000 0.906 152 R HN 0.607 nan 8.270 nan 0.000 0.462 153 V N -3.104 116.778 119.914 -0.053 0.000 3.178 153 V HA 0.525 4.647 4.120 0.003 0.000 0.302 153 V C -2.949 173.120 176.094 -0.042 0.000 1.262 153 V CA -2.916 59.361 62.300 -0.039 0.000 1.030 153 V CB 1.928 33.732 31.823 -0.030 0.000 1.074 153 V HN -0.152 nan 8.190 nan 0.000 0.438 154 P HA 0.320 nan 4.420 nan 0.000 0.268 154 P C -0.739 176.534 177.300 -0.044 0.000 1.204 154 P CA 0.296 63.376 63.100 -0.033 0.000 0.768 154 P CB 0.238 31.934 31.700 -0.007 0.000 0.842 155 E N 1.916 122.072 120.200 -0.073 0.000 2.167 155 E HA 0.295 4.647 4.350 0.003 0.000 0.247 155 E C -0.846 175.686 176.600 -0.113 0.000 0.961 155 E CA -0.392 55.958 56.400 -0.083 0.000 0.797 155 E CB 0.164 29.802 29.700 -0.103 0.000 1.182 155 E HN 0.392 nan 8.360 nan 0.000 0.437 156 c N 2.763 121.308 118.600 -0.092 0.000 2.454 156 c HA 0.530 5.102 4.570 0.003 0.000 0.336 156 c C -1.863 172.165 174.090 -0.104 0.000 1.189 156 c CA -1.655 54.573 56.329 -0.168 0.000 1.877 156 c CB 0.807 43.256 42.510 -0.100 0.000 2.348 156 c HN 0.568 nan 8.230 nan 0.000 0.508 157 P HA 0.320 nan 4.420 nan 0.000 0.273 157 P C -0.629 176.770 177.300 0.166 0.000 1.250 157 P CA -0.154 62.946 63.100 0.000 0.000 0.793 157 P CB 0.311 32.008 31.700 -0.005 0.000 1.011 158 A N 0.715 123.625 122.820 0.149 0.000 2.540 158 A HA 0.410 4.732 4.320 0.003 0.000 0.239 158 A C 1.429 179.142 177.584 0.216 0.000 1.061 158 A CA 0.852 52.978 52.037 0.149 0.000 0.758 158 A CB -1.412 17.648 19.000 0.099 0.000 0.991 158 A HN 0.896 nan 8.150 nan 0.000 0.502 159 G N 1.045 109.945 108.800 0.167 0.000 2.232 159 G HA2 -0.214 3.748 3.960 0.003 0.000 0.226 159 G HA3 -0.214 3.748 3.960 0.003 0.000 0.226 159 G C 0.060 174.990 174.900 0.051 0.000 0.996 159 G CA 0.107 45.264 45.100 0.095 0.000 0.626 159 G HN 0.702 nan 8.290 nan 0.000 0.509 160 F N 1.391 121.367 119.950 0.042 0.000 2.421 160 F HA 0.462 4.992 4.527 0.005 0.000 0.358 160 F C 1.643 177.466 175.800 0.038 0.000 1.115 160 F CA -0.222 57.807 58.000 0.048 0.000 1.160 160 F CB 1.738 40.769 39.000 0.052 0.000 1.123 160 F HN -0.061 nan 8.300 nan 0.000 0.508 161 V N 2.134 122.127 119.914 0.132 0.000 2.992 161 V HA 0.231 4.353 4.120 0.003 0.000 0.250 161 V C 1.077 177.229 176.094 0.098 0.000 1.090 161 V CA 0.915 63.267 62.300 0.088 0.000 1.101 161 V CB -0.967 30.879 31.823 0.038 0.000 0.743 161 V HN 0.659 nan 8.190 nan 0.000 0.468 162 R N 0.691 121.269 120.500 0.129 0.000 2.774 162 R HA 0.721 5.062 4.340 0.003 0.000 0.272 162 R C -3.217 173.189 176.300 0.177 0.000 1.000 162 R CA -1.716 54.454 56.100 0.117 0.000 0.906 162 R CB -0.366 29.982 30.300 0.081 0.000 1.227 162 R HN 0.155 nan 8.270 nan 0.000 0.468 163 P HA 0.256 nan 4.420 nan 0.000 0.271 163 P C -2.583 174.835 177.300 0.198 0.000 1.233 163 P CA -1.121 62.070 63.100 0.152 0.000 0.764 163 P CB 0.399 32.151 31.700 0.086 0.000 0.825 164 P HA 0.116 nan 4.420 nan 0.000 0.270 164 P C -0.565 176.906 177.300 0.284 0.000 1.223 164 P CA -0.098 63.199 63.100 0.328 0.000 0.785 164 P CB 0.332 32.297 31.700 0.442 0.000 0.923 165 L N 2.980 124.394 121.223 0.320 0.000 2.322 165 L HA 0.519 4.861 4.340 0.003 0.000 0.281 165 L C -1.099 175.998 176.870 0.378 0.000 1.014 165 L CA -0.232 54.790 54.840 0.304 0.000 0.815 165 L CB 0.614 42.828 42.059 0.259 0.000 1.247 165 L HN 0.224 nan 8.230 nan 0.000 0.421 166 I N 6.432 127.196 120.570 0.323 0.000 2.389 166 I HA 0.379 4.550 4.170 0.003 0.000 0.288 166 I C -0.714 175.574 176.117 0.286 0.000 0.999 166 I CA -0.500 60.989 61.300 0.315 0.000 1.129 166 I CB 1.712 39.846 38.000 0.223 0.000 1.288 166 I HN 0.515 nan 8.210 nan 0.000 0.444 167 I N 6.253 126.978 120.570 0.259 0.000 2.312 167 I HA 0.221 4.393 4.170 0.003 0.000 0.290 167 I C -0.633 175.635 176.117 0.252 0.000 1.008 167 I CA -0.338 61.110 61.300 0.247 0.000 1.226 167 I CB 0.953 39.082 38.000 0.215 0.000 1.371 167 I HN 0.408 nan 8.210 nan 0.000 0.468 168 F N 7.124 127.148 119.950 0.123 0.000 2.293 168 F HA 0.383 4.913 4.527 0.005 0.000 0.370 168 F C 0.527 176.317 175.800 -0.016 0.000 1.090 168 F CA -0.600 57.481 58.000 0.135 0.000 1.133 168 F CB 0.716 39.785 39.000 0.114 0.000 1.360 168 F HN 0.463 nan 8.300 nan 0.000 0.489 169 S N 5.096 120.808 115.700 0.020 0.000 2.508 169 S HA 0.795 5.266 4.470 0.003 0.000 0.284 169 S C -0.622 173.905 174.600 -0.122 0.000 1.192 169 S CA -0.618 57.572 58.200 -0.016 0.000 1.070 169 S CB 1.485 64.761 63.200 0.128 0.000 1.004 169 S HN 0.615 nan 8.310 nan 0.000 0.493 170 V N -0.371 119.449 119.914 -0.156 0.000 2.604 170 V HA 0.580 4.701 4.120 0.003 0.000 0.305 170 V C -0.580 175.493 176.094 -0.034 0.000 1.043 170 V CA -0.915 61.325 62.300 -0.100 0.000 0.888 170 V CB 1.692 33.505 31.823 -0.018 0.000 0.995 170 V HN 0.908 nan 8.190 nan 0.000 0.429 171 D N 2.993 123.365 120.400 -0.047 0.000 2.264 171 D HA 0.468 5.110 4.640 0.003 0.000 0.250 171 D C 1.181 177.453 176.300 -0.046 0.000 1.113 171 D CA 1.375 55.368 54.000 -0.011 0.000 0.871 171 D CB 1.499 42.369 40.800 0.116 0.000 1.167 171 D HN 1.427 nan 8.370 nan 0.000 0.447 172 G N 3.653 112.236 108.800 -0.362 0.000 2.179 172 G HA2 -0.309 3.653 3.960 0.003 0.000 0.257 172 G HA3 -0.309 3.653 3.960 0.003 0.000 0.257 172 G C 0.273 175.170 174.900 -0.005 0.000 1.010 172 G CA -0.129 44.818 45.100 -0.255 0.000 0.736 172 G HN 0.488 nan 8.290 nan 0.000 0.513 173 F N 2.292 122.192 119.950 -0.083 0.000 2.541 173 F HA 0.435 4.964 4.527 0.003 0.000 0.347 173 F C 1.261 176.983 175.800 -0.130 0.000 1.242 173 F CA -0.859 57.175 58.000 0.057 0.000 1.123 173 F CB 0.218 39.264 39.000 0.076 0.000 1.354 173 F HN 0.234 nan 8.300 nan 0.000 0.621 174 R N 3.700 123.904 120.500 -0.493 0.000 2.570 174 R HA 0.205 4.547 4.340 0.003 0.000 0.277 174 R C 1.339 177.471 176.300 -0.281 0.000 1.039 174 R CA 0.496 56.241 56.100 -0.592 0.000 1.065 174 R CB 0.924 30.511 30.300 -1.188 0.000 0.964 174 R HN 0.812 nan 8.270 nan 0.000 0.428 175 A N 2.803 125.595 122.820 -0.046 0.000 1.917 175 A HA -0.222 4.100 4.320 0.003 0.000 0.219 175 A C 1.967 179.620 177.584 0.116 0.000 1.182 175 A CA 2.127 54.243 52.037 0.132 0.000 0.633 175 A CB -0.654 18.439 19.000 0.155 0.000 0.819 175 A HN 0.892 nan 8.150 nan 0.000 0.448 176 S N -1.743 113.943 115.700 -0.023 0.000 2.515 176 S HA -0.106 4.366 4.470 0.003 0.000 0.231 176 S C 1.620 176.300 174.600 0.134 0.000 0.987 176 S CA 0.906 59.138 58.200 0.054 0.000 0.936 176 S CB -0.680 62.545 63.200 0.042 0.000 0.766 176 S HN 0.515 nan 8.310 nan 0.000 0.528 177 Y N 1.779 122.088 120.300 0.014 0.000 2.333 177 Y HA 0.124 4.675 4.550 0.002 0.000 0.290 177 Y C 2.431 178.379 175.900 0.080 0.000 1.144 177 Y CA -0.079 57.978 58.100 -0.072 0.000 1.228 177 Y CB -0.780 37.415 38.460 -0.441 0.000 0.985 177 Y HN 0.264 nan 8.280 nan 0.000 0.542 178 M N -0.019 119.805 119.600 0.374 0.000 2.279 178 M HA -0.199 4.283 4.480 0.003 0.000 0.264 178 M C 1.730 178.128 176.300 0.163 0.000 1.062 178 M CA 1.297 56.775 55.300 0.296 0.000 1.099 178 M CB -0.870 31.885 32.600 0.259 0.000 1.394 178 M HN 0.214 nan 8.290 nan 0.000 0.426 179 K N 0.373 120.867 120.400 0.156 0.000 2.360 179 K HA -0.142 4.180 4.320 0.003 0.000 0.201 179 K C 1.766 178.416 176.600 0.082 0.000 1.046 179 K CA 0.837 57.189 56.287 0.109 0.000 0.940 179 K CB -0.130 32.440 32.500 0.117 0.000 0.748 179 K HN 0.446 nan 8.250 nan 0.000 0.465 180 K N 0.443 120.896 120.400 0.089 0.000 2.211 180 K HA -0.051 4.271 4.320 0.003 0.000 0.203 180 K C 1.176 177.790 176.600 0.023 0.000 1.050 180 K CA 0.557 56.872 56.287 0.047 0.000 0.945 180 K CB -0.168 32.347 32.500 0.025 0.000 0.732 180 K HN 0.302 nan 8.250 nan 0.000 0.451 181 G N 1.001 109.817 108.800 0.027 0.000 2.601 181 G HA2 -0.365 3.596 3.960 0.003 0.000 0.261 181 G HA3 -0.365 3.596 3.960 0.003 0.000 0.261 181 G C 0.728 175.611 174.900 -0.029 0.000 1.289 181 G CA 0.363 45.459 45.100 -0.008 0.000 0.920 181 G HN 0.301 nan 8.290 nan 0.000 0.571 182 S N -0.505 115.168 115.700 -0.047 0.000 2.474 182 S HA 0.008 4.480 4.470 0.003 0.000 0.235 182 S C 1.879 176.448 174.600 -0.052 0.000 0.997 182 S CA 1.686 59.850 58.200 -0.061 0.000 0.949 182 S CB -0.035 63.122 63.200 -0.073 0.000 0.766 182 S HN 0.741 nan 8.310 nan 0.000 0.517 183 K N 0.507 120.884 120.400 -0.039 0.000 2.147 183 K HA 0.039 4.361 4.320 0.003 0.000 0.205 183 K C 1.496 178.073 176.600 -0.039 0.000 1.049 183 K CA 1.349 57.614 56.287 -0.036 0.000 0.936 183 K CB -0.075 32.408 32.500 -0.027 0.000 0.722 183 K HN 0.347 nan 8.250 nan 0.000 0.446 184 V N -0.301 119.592 119.914 -0.036 0.000 3.151 184 V HA 0.113 4.235 4.120 0.003 0.000 0.241 184 V C 0.819 176.890 176.094 -0.039 0.000 1.173 184 V CA 0.496 62.773 62.300 -0.038 0.000 1.154 184 V CB 0.286 32.086 31.823 -0.038 0.000 0.898 184 V HN 0.191 nan 8.190 nan 0.000 0.473 185 M N 1.433 121.010 119.600 -0.039 0.000 2.693 185 M HA 0.294 4.776 4.480 0.003 0.000 0.224 185 M C -2.112 174.135 176.300 -0.088 0.000 1.149 185 M CA -1.243 54.026 55.300 -0.052 0.000 0.622 185 M CB 2.091 34.685 32.600 -0.011 0.000 1.443 185 M HN 0.023 nan 8.290 nan 0.000 0.431 186 P HA -0.138 nan 4.420 nan 0.000 0.216 186 P C 0.680 177.916 177.300 -0.107 0.000 1.153 186 P CA 1.559 64.599 63.100 -0.100 0.000 0.848 186 P CB 0.053 31.695 31.700 -0.097 0.000 0.787 187 N N 0.105 118.752 118.700 -0.087 0.000 2.084 187 N HA -0.084 4.657 4.740 0.003 0.000 0.190 187 N C 2.047 177.481 175.510 -0.126 0.000 1.030 187 N CA 1.142 54.188 53.050 -0.005 0.000 0.849 187 N CB -0.479 37.980 38.487 -0.047 0.000 1.012 187 N HN 0.204 nan 8.380 nan 0.000 0.423 188 I N 1.224 121.618 120.570 -0.293 0.000 2.226 188 I HA -0.221 3.950 4.170 0.003 0.000 0.245 188 I C 2.486 178.404 176.117 -0.331 0.000 1.100 188 I CA 0.978 61.985 61.300 -0.490 0.000 1.374 188 I CB -0.178 37.454 38.000 -0.613 0.000 1.057 188 I HN 0.066 nan 8.210 nan 0.000 0.413 189 E N 1.651 121.724 120.200 -0.211 0.000 2.110 189 E HA -0.275 4.077 4.350 0.003 0.000 0.193 189 E C 2.059 178.561 176.600 -0.163 0.000 0.988 189 E CA 1.574 57.873 56.400 -0.167 0.000 0.804 189 E CB -0.147 29.480 29.700 -0.120 0.000 0.745 189 E HN 0.319 nan 8.360 nan 0.000 0.458 190 K N -0.102 120.205 120.400 -0.155 0.000 2.025 190 K HA -0.088 4.234 4.320 0.003 0.000 0.207 190 K C 2.193 178.740 176.600 -0.089 0.000 1.049 190 K CA 1.259 57.451 56.287 -0.159 0.000 0.933 190 K CB -0.211 32.095 32.500 -0.323 0.000 0.714 190 K HN 0.200 nan 8.250 nan 0.000 0.438 191 L N 0.739 121.898 121.223 -0.107 0.000 2.043 191 L HA -0.219 4.123 4.340 0.003 0.000 0.212 191 L C 2.935 179.759 176.870 -0.077 0.000 1.075 191 L CA 1.514 56.243 54.840 -0.185 0.000 0.752 191 L CB -0.493 41.345 42.059 -0.369 0.000 0.891 191 L HN 0.301 nan 8.230 nan 0.000 0.432 192 R N 0.113 120.513 120.500 -0.167 0.000 2.066 192 R HA -0.153 4.188 4.340 0.003 0.000 0.232 192 R C 2.593 178.791 176.300 -0.170 0.000 1.131 192 R CA 1.878 57.870 56.100 -0.180 0.000 0.955 192 R CB -0.129 30.017 30.300 -0.256 0.000 0.851 192 R HN 0.468 nan 8.270 nan 0.000 0.432 193 S N -0.800 114.806 115.700 -0.157 0.000 2.406 193 S HA -0.128 4.344 4.470 0.003 0.000 0.228 193 S C 2.281 176.831 174.600 -0.083 0.000 1.020 193 S CA 0.897 59.014 58.200 -0.139 0.000 0.965 193 S CB -0.561 62.561 63.200 -0.129 0.000 0.798 193 S HN 0.513 nan 8.310 nan 0.000 0.488 194 c N 1.620 120.221 118.600 0.000 0.000 2.512 194 c HA 0.474 5.046 4.570 0.003 0.000 0.276 194 c C 1.939 176.100 174.090 0.118 0.000 1.368 194 c CA 0.124 56.488 56.329 0.057 0.000 1.755 194 c CB -1.425 41.252 42.510 0.278 0.000 2.008 194 c HN 0.688 nan 8.230 nan 0.000 0.511 195 G N -0.248 108.686 108.800 0.224 0.000 2.829 195 G HA2 0.435 4.397 3.960 0.003 0.000 0.173 195 G HA3 0.435 4.397 3.960 0.003 0.000 0.173 195 G C -0.745 174.229 174.900 0.124 0.000 1.476 195 G CA 0.195 45.411 45.100 0.193 0.000 1.072 195 G HN 0.341 nan 8.290 nan 0.000 0.577 196 T N 0.772 115.380 114.554 0.090 0.000 2.779 196 T HA 0.528 4.880 4.350 0.003 0.000 0.280 196 T C -0.775 174.009 174.700 0.140 0.000 0.987 196 T CA -0.309 61.874 62.100 0.138 0.000 0.966 196 T CB 0.932 69.916 68.868 0.193 0.000 0.933 196 T HN 0.694 nan 8.240 nan 0.000 0.442 197 H N 0.534 119.663 119.070 0.098 0.000 2.768 197 H HA 0.797 5.353 4.556 0.002 0.000 0.371 197 H C -1.311 174.157 175.328 0.233 0.000 1.151 197 H CA -1.106 55.015 56.048 0.120 0.000 1.165 197 H CB 1.416 31.201 29.762 0.039 0.000 1.722 197 H HN 0.661 nan 8.280 nan 0.000 0.543 198 A N 3.300 126.264 122.820 0.240 0.000 2.295 198 A HA 0.439 4.760 4.320 0.003 0.000 0.318 198 A C -1.697 175.941 177.584 0.090 0.000 1.134 198 A CA -1.764 50.325 52.037 0.087 0.000 0.827 198 A CB 0.807 19.894 19.000 0.144 0.000 1.136 198 A HN 0.693 nan 8.150 nan 0.000 0.493 199 P HA -0.015 nan 4.420 nan 0.000 0.221 199 P C -0.395 177.063 177.300 0.262 0.000 1.150 199 P CA 1.601 64.796 63.100 0.160 0.000 0.800 199 P CB -0.202 31.563 31.700 0.107 0.000 0.787 200 Y N -3.854 116.485 120.300 0.066 0.000 2.677 200 Y HA 0.661 5.213 4.550 0.003 0.000 0.334 200 Y C -1.051 174.784 175.900 -0.108 0.000 1.196 200 Y CA -1.784 56.328 58.100 0.021 0.000 1.059 200 Y CB 0.574 39.048 38.460 0.023 0.000 1.315 200 Y HN -0.281 nan 8.280 nan 0.000 0.455 201 M N 3.018 122.645 119.600 0.045 0.000 2.393 201 M HA 0.526 5.008 4.480 0.003 0.000 0.316 201 M C -1.087 175.228 176.300 0.025 0.000 1.087 201 M CA -0.876 54.285 55.300 -0.231 0.000 0.937 201 M CB 1.979 34.366 32.600 -0.356 0.000 1.668 201 M HN 0.938 nan 8.290 nan 0.000 0.438 202 R N 6.202 126.708 120.500 0.009 0.000 2.265 202 R HA 0.500 4.842 4.340 0.003 0.000 0.314 202 R C -2.549 173.812 176.300 0.100 0.000 1.053 202 R CA -1.268 54.898 56.100 0.110 0.000 0.931 202 R CB 0.858 31.233 30.300 0.124 0.000 1.024 202 R HN 0.389 nan 8.270 nan 0.000 0.457 203 P HA 0.074 nan 4.420 nan 0.000 0.282 203 P C -0.627 176.782 177.300 0.182 0.000 1.287 203 P CA -0.408 62.788 63.100 0.159 0.000 0.792 203 P CB 0.738 32.548 31.700 0.184 0.000 1.163 204 V N -2.882 117.151 119.914 0.199 0.000 2.834 204 V HA 0.420 4.541 4.120 0.003 0.000 0.313 204 V C -0.221 175.988 176.094 0.192 0.000 1.060 204 V CA -1.093 61.343 62.300 0.226 0.000 0.989 204 V CB 0.684 32.661 31.823 0.257 0.000 1.041 204 V HN 0.469 nan 8.190 nan 0.000 0.459 205 Y N 3.466 123.784 120.300 0.031 0.000 2.299 205 Y HA 0.588 5.139 4.550 0.002 0.000 0.326 205 Y C -2.265 173.494 175.900 -0.235 0.000 1.164 205 Y CA -2.111 55.922 58.100 -0.111 0.000 1.234 205 Y CB 1.689 40.032 38.460 -0.195 0.000 1.219 205 Y HN 0.548 nan 8.280 nan 0.000 0.497 206 P HA 0.059 nan 4.420 nan 0.000 0.275 206 P C -0.554 176.538 177.300 -0.346 0.000 1.227 206 P CA -0.282 62.133 63.100 -1.141 0.000 0.781 206 P CB 0.606 31.770 31.700 -0.893 0.000 0.906 207 T N 0.058 114.504 114.554 -0.181 0.000 4.508 207 T HA 0.224 4.576 4.350 0.003 0.000 0.232 207 T C 0.249 174.929 174.700 -0.034 0.000 1.027 207 T CA -0.249 61.861 62.100 0.017 0.000 0.999 207 T CB -0.852 68.094 68.868 0.130 0.000 1.402 207 T HN 0.222 nan 8.240 nan 0.000 1.003 208 K N 0.094 120.486 120.400 -0.013 0.000 2.331 208 K HA 0.463 4.784 4.320 0.003 0.000 0.238 208 K C 0.957 177.709 176.600 0.252 0.000 1.058 208 K CA -1.014 55.299 56.287 0.044 0.000 0.871 208 K CB 1.189 33.686 32.500 -0.005 0.000 1.292 208 K HN -0.023 nan 8.250 nan 0.000 0.470 209 T N 0.594 115.361 114.554 0.356 0.000 2.668 209 T HA -0.087 4.265 4.350 0.003 0.000 0.262 209 T C 1.662 176.662 174.700 0.499 0.000 1.045 209 T CA 1.413 63.800 62.100 0.478 0.000 1.152 209 T CB -0.234 68.920 68.868 0.478 0.000 0.864 209 T HN 0.308 nan 8.240 nan 0.000 0.419 210 F N 1.556 121.618 119.950 0.186 0.000 2.095 210 F HA 0.047 4.576 4.527 0.003 0.000 0.298 210 F C -0.600 175.313 175.800 0.189 0.000 1.104 210 F CA 0.361 58.468 58.000 0.179 0.000 1.232 210 F CB -1.957 37.135 39.000 0.152 0.000 0.987 210 F HN 0.187 nan 8.300 nan 0.000 0.475 211 P HA -0.129 nan 4.420 nan 0.000 0.217 211 P C 1.439 178.949 177.300 0.349 0.000 1.150 211 P CA 1.536 64.843 63.100 0.345 0.000 0.832 211 P CB 0.007 31.841 31.700 0.224 0.000 0.787 212 N N -0.816 118.064 118.700 0.300 0.000 2.171 212 N HA -0.022 4.720 4.740 0.003 0.000 0.184 212 N C 1.763 177.418 175.510 0.241 0.000 1.021 212 N CA 0.997 54.209 53.050 0.270 0.000 0.854 212 N CB -0.514 38.137 38.487 0.273 0.000 0.994 212 N HN 0.158 nan 8.380 nan 0.000 0.426 213 L N -0.233 121.141 121.223 0.252 0.000 2.046 213 L HA -0.195 4.146 4.340 0.003 0.000 0.208 213 L C 2.310 179.313 176.870 0.222 0.000 1.077 213 L CA 1.295 56.266 54.840 0.218 0.000 0.747 213 L CB -0.549 41.613 42.059 0.172 0.000 0.896 213 L HN 0.213 nan 8.230 nan 0.000 0.432 214 Y N 0.190 120.498 120.300 0.015 0.000 2.395 214 Y HA -0.208 4.344 4.550 0.003 0.000 0.293 214 Y C 2.680 178.441 175.900 -0.231 0.000 1.123 214 Y CA 1.235 59.252 58.100 -0.139 0.000 1.227 214 Y CB 0.143 38.427 38.460 -0.293 0.000 1.012 214 Y HN 0.068 nan 8.280 nan 0.000 0.552 215 T N 1.023 115.562 114.554 -0.026 0.000 2.708 215 T HA -0.216 4.136 4.350 0.003 0.000 0.266 215 T C 1.885 176.575 174.700 -0.016 0.000 1.037 215 T CA 1.691 63.828 62.100 0.061 0.000 1.146 215 T CB -0.478 68.534 68.868 0.240 0.000 0.865 215 T HN 0.288 nan 8.240 nan 0.000 0.435 216 L N 0.683 121.950 121.223 0.073 0.000 2.043 216 L HA -0.179 4.162 4.340 0.003 0.000 0.212 216 L C 2.901 179.823 176.870 0.087 0.000 1.075 216 L CA 1.479 56.389 54.840 0.117 0.000 0.752 216 L CB -0.559 41.610 42.059 0.184 0.000 0.891 216 L HN 0.250 nan 8.230 nan 0.000 0.432 217 A N -0.900 121.928 122.820 0.015 0.000 2.066 217 A HA -0.124 4.198 4.320 0.003 0.000 0.218 217 A C 2.155 179.526 177.584 -0.355 0.000 1.157 217 A CA 1.845 53.849 52.037 -0.056 0.000 0.670 217 A CB -0.505 18.487 19.000 -0.014 0.000 0.804 217 A HN 0.545 nan 8.150 nan 0.000 0.453 218 T N -6.367 107.839 114.554 -0.580 0.000 2.958 218 T HA 0.420 4.772 4.350 0.003 0.000 0.256 218 T C 1.411 175.490 174.700 -1.035 0.000 0.983 218 T CA 1.067 62.590 62.100 -0.962 0.000 0.924 218 T CB 0.232 68.574 68.868 -0.876 0.000 1.136 218 T HN 1.591 nan 8.240 nan 0.000 0.506 219 G N 1.639 110.134 108.800 -0.509 0.000 2.155 219 G HA2 -0.214 3.747 3.960 0.003 0.000 0.257 219 G HA3 -0.214 3.747 3.960 0.003 0.000 0.257 219 G C -0.120 174.572 174.900 -0.346 0.000 0.983 219 G CA 0.529 45.435 45.100 -0.322 0.000 0.676 219 G HN 0.650 nan 8.290 nan 0.000 0.528 220 L N -0.506 120.541 121.223 -0.293 0.000 2.331 220 L HA 0.623 4.964 4.340 0.003 0.000 0.275 220 L C 0.660 177.423 176.870 -0.179 0.000 1.022 220 L CA -1.702 52.985 54.840 -0.254 0.000 0.812 220 L CB 0.919 42.902 42.059 -0.127 0.000 1.257 220 L HN 0.049 nan 8.230 nan 0.000 0.435 221 Y N 1.892 122.131 120.300 -0.101 0.000 2.578 221 Y HA 0.028 4.580 4.550 0.003 0.000 0.339 221 Y C -1.384 174.284 175.900 -0.386 0.000 1.231 221 Y CA -1.554 56.474 58.100 -0.120 0.000 1.461 221 Y CB -0.244 38.167 38.460 -0.082 0.000 1.323 221 Y HN 0.435 nan 8.280 nan 0.000 0.590 222 P HA -0.230 nan 4.420 nan 0.000 0.216 222 P C 1.065 178.154 177.300 -0.352 0.000 1.150 222 P CA 2.240 64.937 63.100 -0.672 0.000 0.843 222 P CB 0.094 31.775 31.700 -0.033 0.000 0.787 223 E N -1.191 118.946 120.200 -0.105 0.000 2.268 223 E HA -0.094 4.257 4.350 0.003 0.000 0.195 223 E C 1.527 178.074 176.600 -0.088 0.000 0.995 223 E CA 1.202 57.538 56.400 -0.106 0.000 0.836 223 E CB -0.668 28.988 29.700 -0.073 0.000 0.763 223 E HN 0.130 nan 8.360 nan 0.000 0.491 224 S N 0.578 116.229 115.700 -0.082 0.000 2.412 224 S HA -0.046 4.425 4.470 0.003 0.000 0.223 224 S C 1.635 176.229 174.600 -0.009 0.000 1.048 224 S CA 0.725 58.897 58.200 -0.047 0.000 0.954 224 S CB -0.176 63.009 63.200 -0.026 0.000 0.840 224 S HN 0.673 nan 8.310 nan 0.000 0.503 225 H N 0.065 119.153 119.070 0.030 0.000 2.529 225 H HA 0.366 4.924 4.556 0.003 0.000 0.277 225 H C 1.438 176.839 175.328 0.122 0.000 0.999 225 H CA 0.989 57.089 56.048 0.088 0.000 1.256 225 H CB -0.636 29.182 29.762 0.093 0.000 1.402 225 H HN 0.396 nan 8.280 nan 0.000 0.566 226 G N 0.476 109.367 108.800 0.151 0.000 2.213 226 G HA2 -0.236 3.726 3.960 0.003 0.000 0.236 226 G HA3 -0.236 3.726 3.960 0.003 0.000 0.236 226 G C 0.117 175.008 174.900 -0.015 0.000 0.991 226 G CA 0.121 45.252 45.100 0.051 0.000 0.629 226 G HN 0.313 nan 8.290 nan 0.000 0.517 227 I N 3.415 124.081 120.570 0.159 0.000 2.206 227 I HA 0.252 4.423 4.170 0.003 0.000 0.292 227 I C 1.916 178.055 176.117 0.037 0.000 1.156 227 I CA 0.049 61.265 61.300 -0.140 0.000 1.356 227 I CB 0.127 37.976 38.000 -0.252 0.000 1.494 227 I HN 0.337 nan 8.210 nan 0.000 0.601 228 V N 2.097 121.977 119.914 -0.057 0.000 3.541 228 V HA 0.558 4.680 4.120 0.003 0.000 0.267 228 V C 0.783 176.941 176.094 0.107 0.000 1.213 228 V CA 0.559 62.904 62.300 0.075 0.000 1.149 228 V CB -0.148 31.675 31.823 -0.000 0.000 0.822 228 V HN 0.593 nan 8.190 nan 0.000 0.462 229 G N -0.682 108.106 108.800 -0.021 0.000 2.623 229 G HA2 0.336 4.298 3.960 0.003 0.000 0.290 229 G HA3 0.336 4.298 3.960 0.003 0.000 0.290 229 G C -0.415 174.466 174.900 -0.032 0.000 1.437 229 G CA -0.198 44.890 45.100 -0.020 0.000 0.798 229 G HN -0.095 nan 8.290 nan 0.000 0.488 230 N N -0.409 118.286 118.700 -0.008 0.000 2.289 230 N HA 0.027 4.769 4.740 0.003 0.000 0.184 230 N C 0.607 176.134 175.510 0.029 0.000 1.016 230 N CA 1.017 54.053 53.050 -0.023 0.000 0.872 230 N CB 0.149 38.575 38.487 -0.103 0.000 0.973 230 N HN 0.323 nan 8.380 nan 0.000 0.433 231 S N -0.093 115.605 115.700 -0.003 0.000 2.536 231 S HA 0.732 5.204 4.470 0.003 0.000 0.287 231 S C -0.410 174.147 174.600 -0.072 0.000 1.101 231 S CA -0.774 57.416 58.200 -0.016 0.000 0.950 231 S CB 2.103 65.325 63.200 0.038 0.000 1.056 231 S HN 0.151 nan 8.310 nan 0.000 0.481 232 M N 1.710 121.233 119.600 -0.128 0.000 2.534 232 M HA 0.542 5.024 4.480 0.003 0.000 0.280 232 M C -1.997 174.340 176.300 0.062 0.000 1.217 232 M CA -1.006 54.260 55.300 -0.056 0.000 0.893 232 M CB 1.547 34.077 32.600 -0.117 0.000 1.730 232 M HN 0.569 nan 8.290 nan 0.000 0.483 233 Y N 1.124 121.438 120.300 0.023 0.000 2.335 233 Y HA 0.517 5.069 4.550 0.003 0.000 0.338 233 Y C -1.296 174.679 175.900 0.124 0.000 0.977 233 Y CA -0.474 57.685 58.100 0.099 0.000 1.114 233 Y CB 1.202 39.682 38.460 0.034 0.000 1.182 233 Y HN 0.767 nan 8.280 nan 0.000 0.463 234 D N 8.586 128.751 120.400 -0.391 0.000 2.329 234 D HA 0.244 4.886 4.640 0.003 0.000 0.232 234 D C -2.083 173.671 176.300 -0.910 0.000 1.088 234 D CA -2.189 51.457 54.000 -0.590 0.000 0.835 234 D CB 2.309 42.657 40.800 -0.755 0.000 1.078 234 D HN 0.376 nan 8.370 nan 0.000 0.495 235 P HA -0.062 nan 4.420 nan 0.000 0.229 235 P C 1.441 178.596 177.300 -0.241 0.000 1.160 235 P CA 0.240 63.106 63.100 -0.390 0.000 0.777 235 P CB 0.717 32.368 31.700 -0.081 0.000 0.814 236 V N -0.990 118.734 119.914 -0.316 0.000 2.446 236 V HA -0.117 4.004 4.120 0.003 0.000 0.244 236 V C 2.253 178.309 176.094 -0.063 0.000 1.039 236 V CA 1.405 63.586 62.300 -0.199 0.000 1.045 236 V CB -1.336 30.342 31.823 -0.241 0.000 0.681 236 V HN -0.089 nan 8.190 nan 0.000 0.459 237 F N 0.304 120.103 119.950 -0.253 0.000 2.365 237 F HA 0.051 4.580 4.527 0.003 0.000 0.300 237 F C 1.396 177.115 175.800 -0.136 0.000 1.090 237 F CA 0.604 58.468 58.000 -0.227 0.000 1.408 237 F CB -1.074 37.713 39.000 -0.355 0.000 1.060 237 F HN 0.316 nan 8.300 nan 0.000 0.534 238 D N 0.121 120.508 120.400 -0.022 0.000 2.735 238 D HA -0.082 4.560 4.640 0.003 0.000 0.235 238 D C -0.353 176.067 176.300 0.200 0.000 1.175 238 D CA 0.764 54.803 54.000 0.065 0.000 0.683 238 D CB -0.827 40.066 40.800 0.156 0.000 1.008 238 D HN 0.413 nan 8.370 nan 0.000 0.416 239 A N 0.105 123.023 122.820 0.164 0.000 2.587 239 A HA 0.805 5.127 4.320 0.003 0.000 0.293 239 A C -0.323 177.559 177.584 0.497 0.000 1.087 239 A CA -0.406 51.852 52.037 0.368 0.000 0.692 239 A CB 1.973 21.213 19.000 0.399 0.000 1.291 239 A HN 0.144 nan 8.150 nan 0.000 0.407 240 T N 1.074 115.886 114.554 0.430 0.000 2.824 240 T HA 0.544 4.896 4.350 0.003 0.000 0.282 240 T C -1.052 173.599 174.700 -0.081 0.000 0.993 240 T CA -0.043 62.191 62.100 0.222 0.000 0.967 240 T CB 0.742 69.691 68.868 0.135 0.000 0.960 240 T HN 0.532 nan 8.240 nan 0.000 0.441 241 F N 4.340 123.899 119.950 -0.652 0.000 2.420 241 F HA 0.527 5.056 4.527 0.002 0.000 0.342 241 F C -0.055 175.255 175.800 -0.817 0.000 1.113 241 F CA -0.441 56.991 58.000 -0.947 0.000 1.059 241 F CB 0.688 38.690 39.000 -1.663 0.000 1.128 241 F HN 0.540 nan 8.300 nan 0.000 0.475 242 H N 6.718 125.487 119.070 -0.502 0.000 2.768 242 H HA 0.199 4.756 4.556 0.003 0.000 0.371 242 H C 0.567 175.547 175.328 -0.580 0.000 1.151 242 H CA -0.608 55.227 56.048 -0.355 0.000 1.165 242 H CB 2.412 32.032 29.762 -0.237 0.000 1.722 242 H HN 0.825 nan 8.280 nan 0.000 0.543 243 L N 1.186 122.204 121.223 -0.341 0.000 2.079 243 L HA -0.094 4.248 4.340 0.003 0.000 0.210 243 L C 1.148 177.780 176.870 -0.397 0.000 1.081 243 L CA 1.349 55.799 54.840 -0.649 0.000 0.752 243 L CB -0.181 41.461 42.059 -0.695 0.000 0.896 243 L HN 0.629 nan 8.230 nan 0.000 0.433 244 R N 0.070 120.428 120.500 -0.237 0.000 2.460 244 R HA 0.633 4.974 4.340 0.003 0.000 0.303 244 R C 0.193 176.420 176.300 -0.122 0.000 0.968 244 R CA -0.006 56.006 56.100 -0.146 0.000 0.889 244 R CB 0.317 30.550 30.300 -0.113 0.000 1.123 244 R HN 0.582 nan 8.270 nan 0.000 0.455 245 G N -1.334 107.427 108.800 -0.065 0.000 2.423 245 G HA2 0.417 4.379 3.960 0.003 0.000 0.684 245 G HA3 0.417 4.379 3.960 0.003 0.000 0.684 245 G C 0.448 175.359 174.900 0.018 0.000 1.309 245 G CA 0.415 45.499 45.100 -0.026 0.000 0.950 245 G HN 1.540 nan 8.290 nan 0.000 0.587 246 R N -0.447 120.098 120.500 0.076 0.000 2.237 246 R HA 0.442 4.783 4.340 0.003 0.000 0.195 246 R C 2.066 178.472 176.300 0.177 0.000 0.956 246 R CA 1.841 58.074 56.100 0.221 0.000 1.029 246 R CB -0.732 29.643 30.300 0.126 0.000 0.972 246 R HN 0.964 nan 8.270 nan 0.000 0.493 247 E N 2.396 122.625 120.200 0.048 0.000 2.130 247 E HA -0.242 4.110 4.350 0.003 0.000 0.196 247 E C 1.916 178.517 176.600 0.001 0.000 0.998 247 E CA 2.216 58.664 56.400 0.080 0.000 0.806 247 E CB -0.160 29.578 29.700 0.063 0.000 0.738 247 E HN 0.761 nan 8.360 nan 0.000 0.459 248 K N -0.830 119.322 120.400 -0.413 0.000 2.280 248 K HA -0.137 4.185 4.320 0.003 0.000 0.202 248 K C 1.628 178.267 176.600 0.064 0.000 1.047 248 K CA 1.412 57.362 56.287 -0.561 0.000 0.942 248 K CB -0.496 31.415 32.500 -0.981 0.000 0.739 248 K HN 0.108 nan 8.250 nan 0.000 0.457 249 F N 1.784 121.833 119.950 0.166 0.000 2.407 249 F HA 0.004 4.533 4.527 0.003 0.000 0.299 249 F C 1.032 177.075 175.800 0.405 0.000 1.097 249 F CA -0.048 58.077 58.000 0.207 0.000 1.422 249 F CB -0.546 38.430 39.000 -0.039 0.000 1.067 249 F HN 0.093 nan 8.300 nan 0.000 0.539 250 N N 0.878 119.922 118.700 0.573 0.000 2.447 250 N HA -0.108 4.634 4.740 0.003 0.000 0.263 250 N C 1.064 177.013 175.510 0.732 0.000 1.226 250 N CA 0.549 53.922 53.050 0.538 0.000 0.906 250 N CB 0.137 38.876 38.487 0.420 0.000 1.060 250 N HN 0.406 nan 8.380 nan 0.000 0.468 251 H N 2.874 122.159 119.070 0.358 0.000 2.521 251 H HA -0.082 4.475 4.556 0.003 0.000 0.286 251 H C 1.523 177.071 175.328 0.366 0.000 1.034 251 H CA 0.547 56.825 56.048 0.382 0.000 1.278 251 H CB 0.624 30.506 29.762 0.200 0.000 1.386 251 H HN 0.643 nan 8.280 nan 0.000 0.567 252 R N 0.571 121.233 120.500 0.269 0.000 2.200 252 R HA -0.159 4.183 4.340 0.003 0.000 0.234 252 R C 1.060 177.413 176.300 0.089 0.000 1.127 252 R CA 1.373 57.486 56.100 0.022 0.000 0.989 252 R CB -0.618 29.413 30.300 -0.449 0.000 0.869 252 R HN 0.346 nan 8.270 nan 0.000 0.459 253 W N 0.245 121.697 121.300 0.252 0.000 2.584 253 W HA 0.099 4.760 4.660 0.003 0.000 0.264 253 W C -0.044 176.350 176.519 -0.208 0.000 1.264 253 W CA -0.351 56.989 57.345 -0.008 0.000 1.306 253 W CB -0.008 29.295 29.460 -0.263 0.000 1.110 253 W HN 0.014 nan 8.180 nan 0.000 0.606 254 W N 1.220 122.643 121.300 0.205 0.000 2.283 254 W HA 0.575 5.236 4.660 0.003 0.000 0.317 254 W C 0.600 177.199 176.519 0.133 0.000 1.042 254 W CA -0.868 56.494 57.345 0.028 0.000 1.348 254 W CB 0.269 29.628 29.460 -0.169 0.000 1.216 254 W HN -0.256 nan 8.180 nan 0.000 0.404 255 G N 1.091 110.122 108.800 0.385 0.000 2.568 255 G HA2 0.651 4.612 3.960 0.003 0.000 0.293 255 G HA3 0.651 4.612 3.960 0.003 0.000 0.293 255 G C 0.518 175.555 174.900 0.229 0.000 1.347 255 G CA -0.010 45.249 45.100 0.264 0.000 1.039 255 G HN 0.934 nan 8.290 nan 0.000 0.523 256 G N -1.195 107.642 108.800 0.061 0.000 2.601 256 G HA2 -0.101 3.861 3.960 0.003 0.000 0.261 256 G HA3 -0.101 3.861 3.960 0.003 0.000 0.261 256 G C 0.022 174.836 174.900 -0.143 0.000 1.289 256 G CA 0.593 45.640 45.100 -0.088 0.000 0.920 256 G HN 1.027 nan 8.290 nan 0.000 0.571 257 Q N 0.572 120.192 119.800 -0.298 0.000 2.414 257 Q HA 0.474 4.815 4.340 0.003 0.000 0.256 257 Q C -2.527 173.160 176.000 -0.522 0.000 0.974 257 Q CA -1.840 53.769 55.803 -0.323 0.000 0.723 257 Q CB 2.383 30.994 28.738 -0.212 0.000 1.281 257 Q HN 0.575 nan 8.270 nan 0.000 0.470 258 P HA -0.028 nan 4.420 nan 0.000 0.272 258 P C 0.639 177.424 177.300 -0.858 0.000 1.230 258 P CA -0.376 62.105 63.100 -1.032 0.000 0.788 258 P CB 1.103 31.758 31.700 -1.741 0.000 0.949 259 L N 1.830 122.735 121.223 -0.531 0.000 2.081 259 L HA -0.143 4.198 4.340 0.003 0.000 0.212 259 L C 2.349 179.014 176.870 -0.342 0.000 1.080 259 L CA 1.939 56.654 54.840 -0.207 0.000 0.754 259 L CB -1.432 40.616 42.059 -0.019 0.000 0.893 259 L HN 0.579 nan 8.230 nan 0.000 0.433 260 W N -1.437 119.544 121.300 -0.532 0.000 2.402 260 W HA -0.075 4.587 4.660 0.002 0.000 0.286 260 W C 1.913 178.275 176.519 -0.262 0.000 1.221 260 W CA 0.421 57.460 57.345 -0.511 0.000 1.257 260 W CB -0.859 28.174 29.460 -0.712 0.000 1.120 260 W HN -0.020 nan 8.180 nan 0.000 0.551 261 I N 1.362 121.623 120.570 -0.515 0.000 2.333 261 I HA -0.182 3.990 4.170 0.003 0.000 0.246 261 I C 2.234 178.241 176.117 -0.184 0.000 1.106 261 I CA 1.651 62.780 61.300 -0.285 0.000 1.411 261 I CB -1.767 36.016 38.000 -0.362 0.000 1.082 261 I HN 0.072 nan 8.210 nan 0.000 0.420 262 T N 1.634 116.068 114.554 -0.201 0.000 2.720 262 T HA -0.153 4.199 4.350 0.003 0.000 0.268 262 T C 2.094 176.740 174.700 -0.090 0.000 1.037 262 T CA 1.659 63.694 62.100 -0.109 0.000 1.144 262 T CB -0.317 68.515 68.868 -0.061 0.000 0.864 262 T HN 0.432 nan 8.240 nan 0.000 0.444 263 A N 1.496 124.260 122.820 -0.093 0.000 1.851 263 A HA -0.154 4.168 4.320 0.003 0.000 0.216 263 A C 2.601 180.155 177.584 -0.050 0.000 1.195 263 A CA 2.263 54.265 52.037 -0.060 0.000 0.622 263 A CB -1.414 17.564 19.000 -0.037 0.000 0.831 263 A HN 0.472 nan 8.150 nan 0.000 0.444 264 T N 0.170 114.695 114.554 -0.048 0.000 2.684 264 T HA -0.153 4.199 4.350 0.003 0.000 0.267 264 T C 1.853 176.530 174.700 -0.038 0.000 1.036 264 T CA 1.775 63.853 62.100 -0.038 0.000 1.148 264 T CB -0.257 68.598 68.868 -0.022 0.000 0.863 264 T HN 0.522 nan 8.240 nan 0.000 0.436 265 K N 0.841 121.214 120.400 -0.044 0.000 2.283 265 K HA -0.018 4.303 4.320 0.003 0.000 0.202 265 K C 1.836 178.416 176.600 -0.032 0.000 1.048 265 K CA 0.884 57.149 56.287 -0.037 0.000 0.948 265 K CB -0.025 32.450 32.500 -0.041 0.000 0.742 265 K HN 0.451 nan 8.250 nan 0.000 0.458 266 Q N -0.376 119.403 119.800 -0.035 0.000 2.204 266 Q HA 0.119 4.461 4.340 0.003 0.000 0.209 266 Q C 0.270 176.254 176.000 -0.026 0.000 0.861 266 Q CA 0.056 55.842 55.803 -0.029 0.000 0.971 266 Q CB 1.066 29.785 28.738 -0.032 0.000 1.095 266 Q HN 0.423 nan 8.270 nan 0.000 0.486 267 G N 0.569 109.352 108.800 -0.029 0.000 2.198 267 G HA2 -0.246 3.716 3.960 0.003 0.000 0.260 267 G HA3 -0.246 3.716 3.960 0.003 0.000 0.260 267 G C -0.045 174.837 174.900 -0.030 0.000 1.025 267 G CA 0.081 45.164 45.100 -0.028 0.000 0.769 267 G HN 0.256 nan 8.290 nan 0.000 0.507 268 V N 0.374 120.268 119.914 -0.033 0.000 2.398 268 V HA 0.536 4.657 4.120 0.003 0.000 0.286 268 V C 0.838 176.904 176.094 -0.046 0.000 1.026 268 V CA -0.914 61.366 62.300 -0.033 0.000 0.868 268 V CB 1.674 33.483 31.823 -0.023 0.000 0.982 268 V HN 0.476 nan 8.190 nan 0.000 0.443 269 R N 3.240 123.702 120.500 -0.063 0.000 2.390 269 R HA 0.677 5.018 4.340 0.003 0.000 0.291 269 R C -0.208 176.014 176.300 -0.131 0.000 1.070 269 R CA -0.117 55.924 56.100 -0.098 0.000 1.014 269 R CB 0.999 31.227 30.300 -0.119 0.000 1.007 269 R HN 0.856 nan 8.270 nan 0.000 0.466 270 A N 2.917 125.659 122.820 -0.129 0.000 2.337 270 A HA 0.614 4.936 4.320 0.003 0.000 0.329 270 A C 0.057 177.483 177.584 -0.263 0.000 1.146 270 A CA -0.467 51.507 52.037 -0.106 0.000 0.800 270 A CB 1.551 20.585 19.000 0.057 0.000 1.220 270 A HN 0.885 nan 8.150 nan 0.000 0.472 271 G N 0.077 108.652 108.800 -0.376 0.000 2.588 271 G HA2 0.464 4.426 3.960 0.003 0.000 0.278 271 G HA3 0.464 4.426 3.960 0.003 0.000 0.278 271 G C 0.134 174.891 174.900 -0.238 0.000 1.307 271 G CA -0.104 44.669 45.100 -0.544 0.000 1.016 271 G HN 0.781 nan 8.290 nan 0.000 0.503 272 T N 0.156 114.538 114.554 -0.287 0.000 2.916 272 T HA 0.153 4.505 4.350 0.003 0.000 0.303 272 T C -0.226 174.307 174.700 -0.278 0.000 1.025 272 T CA 0.392 62.313 62.100 -0.298 0.000 1.142 272 T CB 0.663 69.220 68.868 -0.517 0.000 0.947 272 T HN 0.250 nan 8.240 nan 0.000 0.544 273 F N 0.811 120.398 119.950 -0.605 0.000 2.772 273 F HA 0.457 4.985 4.527 0.003 0.000 0.302 273 F C 0.613 176.070 175.800 -0.572 0.000 1.136 273 F CA -0.964 56.710 58.000 -0.544 0.000 1.322 273 F CB -0.036 38.510 39.000 -0.757 0.000 0.967 273 F HN 0.662 nan 8.300 nan 0.000 0.513 274 F N -1.068 118.587 119.950 -0.492 0.000 2.581 274 F HA 0.700 5.229 4.527 0.003 0.000 0.311 274 F C -1.533 173.992 175.800 -0.458 0.000 1.113 274 F CA -1.745 56.035 58.000 -0.366 0.000 0.935 274 F CB 0.278 39.115 39.000 -0.272 0.000 1.232 274 F HN 0.014 nan 8.300 nan 0.000 0.445 275 W N 1.868 123.159 121.300 -0.015 0.000 2.683 275 W HA 0.590 5.251 4.660 0.003 0.000 0.329 275 W C 0.030 176.601 176.519 0.087 0.000 1.037 275 W CA -0.999 56.375 57.345 0.048 0.000 1.232 275 W CB 2.296 31.746 29.460 -0.017 0.000 1.390 275 W HN 0.801 nan 8.180 nan 0.000 0.465 276 S N 1.534 117.445 115.700 0.352 0.000 2.552 276 S HA -0.045 4.426 4.470 0.003 0.000 0.289 276 S C 1.352 176.110 174.600 0.263 0.000 1.304 276 S CA -0.293 58.069 58.200 0.270 0.000 1.063 276 S CB 0.856 64.207 63.200 0.252 0.000 0.848 276 S HN 0.600 nan 8.310 nan 0.000 0.499 277 V N 2.020 122.058 119.914 0.206 0.000 2.568 277 V HA -0.145 3.977 4.120 0.003 0.000 0.253 277 V C 2.003 178.181 176.094 0.140 0.000 1.072 277 V CA 2.014 64.419 62.300 0.174 0.000 1.084 277 V CB -1.280 30.626 31.823 0.138 0.000 0.676 277 V HN 0.925 nan 8.190 nan 0.000 0.469 278 S N 0.083 115.873 115.700 0.149 0.000 2.522 278 S HA 0.238 4.709 4.470 0.003 0.000 0.227 278 S C 0.790 175.476 174.600 0.144 0.000 0.986 278 S CA 0.081 58.358 58.200 0.127 0.000 0.929 278 S CB -0.856 62.424 63.200 0.133 0.000 0.769 278 S HN 0.632 nan 8.310 nan 0.000 0.529 279 I N 4.190 124.873 120.570 0.188 0.000 2.337 279 I HA 0.290 4.461 4.170 0.003 0.000 0.291 279 I C -2.207 173.947 176.117 0.063 0.000 1.046 279 I CA -2.527 58.882 61.300 0.181 0.000 1.324 279 I CB 0.776 38.960 38.000 0.306 0.000 1.409 279 I HN 0.081 nan 8.210 nan 0.000 0.494 280 P HA 0.005 nan 4.420 nan 0.000 0.269 280 P C 0.389 177.583 177.300 -0.178 0.000 1.215 280 P CA 0.184 63.209 63.100 -0.124 0.000 0.780 280 P CB 0.509 32.112 31.700 -0.162 0.000 0.898 281 H N 0.634 119.524 119.070 -0.299 0.000 2.387 281 H HA -0.177 4.380 4.556 0.003 0.000 0.299 281 H C 1.524 176.613 175.328 -0.399 0.000 1.099 281 H CA 1.279 57.181 56.048 -0.243 0.000 1.315 281 H CB 0.068 29.789 29.762 -0.068 0.000 1.380 281 H HN 0.523 nan 8.280 nan 0.000 0.513 282 E N 0.404 120.263 120.200 -0.567 0.000 2.110 282 E HA -0.170 4.181 4.350 0.003 0.000 0.193 282 E C 2.226 178.385 176.600 -0.736 0.000 0.988 282 E CA 0.818 56.705 56.400 -0.854 0.000 0.804 282 E CB 0.037 28.676 29.700 -1.769 0.000 0.745 282 E HN 0.206 nan 8.360 nan 0.000 0.458 283 R N 1.042 121.115 120.500 -0.713 0.000 2.090 283 R HA 0.044 4.386 4.340 0.003 0.000 0.228 283 R C 1.818 177.854 176.300 -0.440 0.000 1.110 283 R CA 1.290 57.169 56.100 -0.367 0.000 0.973 283 R CB -0.034 30.191 30.300 -0.125 0.000 0.869 283 R HN 0.041 nan 8.270 nan 0.000 0.440 284 R N 0.004 120.170 120.500 -0.556 0.000 2.091 284 R HA -0.069 4.273 4.340 0.003 0.000 0.238 284 R C 2.039 177.979 176.300 -0.601 0.000 1.136 284 R CA 1.511 57.041 56.100 -0.949 0.000 0.959 284 R CB -0.458 29.080 30.300 -1.270 0.000 0.856 284 R HN 0.189 nan 8.270 nan 0.000 0.437 285 I N 1.099 121.432 120.570 -0.395 0.000 2.202 285 I HA -0.223 3.949 4.170 0.003 0.000 0.242 285 I C 2.362 178.323 176.117 -0.260 0.000 1.091 285 I CA 1.397 62.512 61.300 -0.310 0.000 1.368 285 I CB -0.948 36.864 38.000 -0.312 0.000 1.058 285 I HN 0.192 nan 8.210 nan 0.000 0.410 286 L N 0.108 121.182 121.223 -0.249 0.000 2.079 286 L HA -0.228 4.113 4.340 0.003 0.000 0.210 286 L C 2.538 179.261 176.870 -0.246 0.000 1.081 286 L CA 1.447 56.184 54.840 -0.172 0.000 0.752 286 L CB -0.852 41.163 42.059 -0.074 0.000 0.896 286 L HN 0.247 nan 8.230 nan 0.000 0.433 287 T N 0.050 114.359 114.554 -0.409 0.000 2.708 287 T HA -0.152 4.199 4.350 0.003 0.000 0.266 287 T C 1.905 176.182 174.700 -0.704 0.000 1.037 287 T CA 1.355 63.045 62.100 -0.682 0.000 1.146 287 T CB -0.190 68.088 68.868 -0.983 0.000 0.865 287 T HN 0.182 nan 8.240 nan 0.000 0.435 288 I N 0.713 121.052 120.570 -0.384 0.000 2.208 288 I HA -0.163 4.009 4.170 0.003 0.000 0.245 288 I C 2.227 178.295 176.117 -0.081 0.000 1.097 288 I CA 1.254 62.517 61.300 -0.061 0.000 1.363 288 I CB -0.360 37.660 38.000 0.034 0.000 1.051 288 I HN 0.197 nan 8.210 nan 0.000 0.413 289 L N -0.175 120.971 121.223 -0.129 0.000 2.083 289 L HA -0.244 4.098 4.340 0.003 0.000 0.209 289 L C 2.629 179.498 176.870 -0.001 0.000 1.083 289 L CA 1.215 56.012 54.840 -0.071 0.000 0.752 289 L CB -0.512 41.504 42.059 -0.071 0.000 0.899 289 L HN 0.270 nan 8.230 nan 0.000 0.433 290 Q N -0.409 119.368 119.800 -0.039 0.000 2.050 290 Q HA -0.221 4.120 4.340 0.003 0.000 0.202 290 Q C 2.063 178.175 176.000 0.187 0.000 0.980 290 Q CA 1.910 57.730 55.803 0.028 0.000 0.840 290 Q CB -0.174 28.534 28.738 -0.050 0.000 0.898 290 Q HN 0.376 nan 8.270 nan 0.000 0.424 291 W N 0.232 121.621 121.300 0.148 0.000 2.342 291 W HA -0.111 4.550 4.660 0.002 0.000 0.297 291 W C 1.771 178.420 176.519 0.217 0.000 1.213 291 W CA 0.709 58.186 57.345 0.219 0.000 1.251 291 W CB -0.802 28.882 29.460 0.373 0.000 1.136 291 W HN 0.258 nan 8.180 nan 0.000 0.526 292 L N 0.018 121.446 121.223 0.342 0.000 2.362 292 L HA -0.124 4.218 4.340 0.003 0.000 0.219 292 L C 1.960 178.995 176.870 0.276 0.000 1.134 292 L CA 0.909 55.908 54.840 0.266 0.000 0.807 292 L CB -0.588 41.527 42.059 0.092 0.000 0.927 292 L HN -0.217 nan 8.230 nan 0.000 0.447 293 S N -0.500 115.331 115.700 0.218 0.000 2.575 293 S HA 0.207 4.679 4.470 0.003 0.000 0.215 293 S C 0.814 175.512 174.600 0.164 0.000 0.966 293 S CA -0.180 58.129 58.200 0.182 0.000 0.911 293 S CB -0.039 63.239 63.200 0.130 0.000 0.780 293 S HN 0.155 nan 8.310 nan 0.000 0.514 294 L N 2.108 123.441 121.223 0.183 0.000 2.476 294 L HA 0.220 4.562 4.340 0.003 0.000 0.264 294 L C -2.162 174.757 176.870 0.081 0.000 1.224 294 L CA -2.032 52.894 54.840 0.143 0.000 0.821 294 L CB -0.262 41.898 42.059 0.170 0.000 1.101 294 L HN -0.058 nan 8.230 nan 0.000 0.488 295 P HA -0.040 nan 4.420 nan 0.000 0.265 295 P C -0.126 177.166 177.300 -0.014 0.000 1.187 295 P CA -0.050 63.065 63.100 0.025 0.000 0.766 295 P CB 0.398 32.114 31.700 0.026 0.000 0.820 296 D N 1.742 122.116 120.400 -0.042 0.000 2.220 296 D HA -0.193 4.448 4.640 0.003 0.000 0.198 296 D C 1.275 177.532 176.300 -0.071 0.000 1.001 296 D CA 1.492 55.436 54.000 -0.094 0.000 0.875 296 D CB -0.398 40.358 40.800 -0.073 0.000 0.921 296 D HN 0.514 nan 8.370 nan 0.000 0.454 297 N N 0.061 118.739 118.700 -0.038 0.000 2.398 297 N HA -0.067 4.675 4.740 0.003 0.000 0.188 297 N C 0.885 176.377 175.510 -0.031 0.000 1.122 297 N CA 0.370 53.401 53.050 -0.032 0.000 0.866 297 N CB -0.007 38.468 38.487 -0.019 0.000 0.970 297 N HN 0.251 nan 8.380 nan 0.000 0.462 298 E N -0.500 119.685 120.200 -0.024 0.000 2.453 298 E HA 0.120 4.472 4.350 0.003 0.000 0.211 298 E C 0.144 176.726 176.600 -0.030 0.000 0.897 298 E CA -0.447 55.941 56.400 -0.021 0.000 1.063 298 E CB 0.822 30.529 29.700 0.012 0.000 1.080 298 E HN 0.170 nan 8.360 nan 0.000 0.512 299 R N 2.744 123.230 120.500 -0.023 0.000 2.449 299 R HA 0.096 4.437 4.340 0.003 0.000 0.296 299 R C -2.423 173.871 176.300 -0.010 0.000 1.047 299 R CA -1.467 54.644 56.100 0.019 0.000 1.018 299 R CB 0.335 30.614 30.300 -0.034 0.000 0.962 299 R HN -0.163 nan 8.270 nan 0.000 0.428 300 P HA 0.111 nan 4.420 nan 0.000 0.274 300 P C -0.435 176.812 177.300 -0.088 0.000 1.246 300 P CA -0.229 62.754 63.100 -0.196 0.000 0.795 300 P CB 1.117 32.481 31.700 -0.560 0.000 1.006 301 S N -0.737 114.897 115.700 -0.110 0.000 2.497 301 S HA 0.133 4.605 4.470 0.003 0.000 0.218 301 S C 0.557 175.207 174.600 0.083 0.000 1.023 301 S CA -0.013 58.222 58.200 0.058 0.000 0.913 301 S CB 0.254 63.481 63.200 0.046 0.000 0.800 301 S HN 0.346 nan 8.310 nan 0.000 0.505 302 V N 1.463 121.300 119.914 -0.129 0.000 2.656 302 V HA 0.666 4.788 4.120 0.003 0.000 0.307 302 V C -2.151 173.795 176.094 -0.247 0.000 1.051 302 V CA -0.793 61.528 62.300 0.034 0.000 0.893 302 V CB 1.603 33.554 31.823 0.213 0.000 0.999 302 V HN 0.339 nan 8.190 nan 0.000 0.426 303 Y N 3.755 124.158 120.300 0.173 0.000 2.545 303 Y HA 0.856 5.408 4.550 0.003 0.000 0.348 303 Y C 0.171 176.016 175.900 -0.092 0.000 1.002 303 Y CA -0.429 57.736 58.100 0.108 0.000 1.039 303 Y CB 2.477 41.076 38.460 0.231 0.000 1.271 303 Y HN 0.847 nan 8.280 nan 0.000 0.467 304 A N 2.539 125.308 122.820 -0.085 0.000 2.393 304 A HA 0.750 5.072 4.320 0.003 0.000 0.306 304 A C -2.093 175.649 177.584 0.263 0.000 1.050 304 A CA -0.578 51.358 52.037 -0.167 0.000 0.724 304 A CB 0.912 19.398 19.000 -0.856 0.000 1.248 304 A HN 0.652 nan 8.150 nan 0.000 0.424 305 F N 2.191 122.139 119.950 -0.003 0.000 2.508 305 F HA 0.728 5.257 4.527 0.004 0.000 0.325 305 F C -1.306 174.334 175.800 -0.268 0.000 1.090 305 F CA -0.853 57.019 58.000 -0.213 0.000 0.945 305 F CB 1.596 40.238 39.000 -0.596 0.000 1.156 305 F HN 0.637 nan 8.300 nan 0.000 0.463 306 Y N 4.191 123.687 120.300 -1.341 0.000 2.406 306 Y HA 0.574 5.125 4.550 0.003 0.000 0.340 306 Y C -1.305 173.787 175.900 -1.346 0.000 0.975 306 Y CA -0.728 56.820 58.100 -0.919 0.000 1.056 306 Y CB 1.764 40.028 38.460 -0.325 0.000 1.210 306 Y HN 0.627 nan 8.280 nan 0.000 0.448 307 S N 4.414 119.223 115.700 -1.485 0.000 2.473 307 S HA 0.251 4.722 4.470 0.003 0.000 0.307 307 S C 0.416 174.362 174.600 -1.090 0.000 1.094 307 S CA -0.564 56.965 58.200 -1.119 0.000 1.070 307 S CB 0.907 63.884 63.200 -0.371 0.000 1.019 307 S HN 0.856 nan 8.310 nan 0.000 0.480 308 E N 3.574 123.434 120.200 -0.566 0.000 2.481 308 E HA 0.043 4.395 4.350 0.003 0.000 0.195 308 E C -0.205 176.427 176.600 0.054 0.000 1.047 308 E CA 0.334 56.634 56.400 -0.167 0.000 0.867 308 E CB 0.087 29.859 29.700 0.119 0.000 0.858 308 E HN 0.559 nan 8.360 nan 0.000 0.513 309 Q N 1.265 121.107 119.800 0.070 0.000 2.214 309 Q HA 0.240 4.581 4.340 0.003 0.000 0.251 309 Q C -1.906 174.191 176.000 0.162 0.000 0.936 309 Q CA -2.005 53.893 55.803 0.158 0.000 0.894 309 Q CB 1.668 30.515 28.738 0.181 0.000 1.252 309 Q HN 0.041 nan 8.270 nan 0.000 0.448 310 P HA 0.017 nan 4.420 nan 0.000 0.256 310 P C 0.206 177.600 177.300 0.157 0.000 1.384 310 P CA 0.312 63.491 63.100 0.132 0.000 0.879 310 P CB 0.386 32.083 31.700 -0.006 0.000 1.403 311 D N 0.057 120.568 120.400 0.184 0.000 2.092 311 D HA -0.234 4.408 4.640 0.003 0.000 0.193 311 D C 1.600 178.081 176.300 0.301 0.000 0.994 311 D CA 1.150 55.278 54.000 0.213 0.000 0.828 311 D CB -0.635 40.334 40.800 0.283 0.000 0.963 311 D HN 0.027 nan 8.370 nan 0.000 0.450 312 F N 0.779 120.866 119.950 0.229 0.000 2.065 312 F HA -0.207 4.321 4.527 0.002 0.000 0.298 312 F C 2.397 178.308 175.800 0.184 0.000 1.112 312 F CA 1.881 60.016 58.000 0.225 0.000 1.212 312 F CB -0.494 38.588 39.000 0.136 0.000 0.975 312 F HN -0.088 nan 8.300 nan 0.000 0.476 313 S N 0.251 116.095 115.700 0.240 0.000 2.402 313 S HA -0.044 4.427 4.470 0.003 0.000 0.229 313 S C 2.268 176.920 174.600 0.086 0.000 1.021 313 S CA 0.841 59.142 58.200 0.168 0.000 0.974 313 S CB -1.073 62.328 63.200 0.334 0.000 0.800 313 S HN 0.649 nan 8.310 nan 0.000 0.484 314 G N 2.036 110.871 108.800 0.057 0.000 2.446 314 G HA2 -0.265 3.696 3.960 0.003 0.000 0.217 314 G HA3 -0.265 3.696 3.960 0.003 0.000 0.217 314 G C 1.194 176.061 174.900 -0.054 0.000 1.168 314 G CA 0.884 45.991 45.100 0.011 0.000 0.771 314 G HN 0.496 nan 8.290 nan 0.000 0.551 315 H N 0.441 119.502 119.070 -0.014 0.000 2.319 315 H HA -0.077 4.480 4.556 0.003 0.000 0.299 315 H C 2.489 177.745 175.328 -0.120 0.000 1.092 315 H CA 1.699 57.717 56.048 -0.051 0.000 1.302 315 H CB -0.118 29.577 29.762 -0.112 0.000 1.373 315 H HN 0.417 nan 8.280 nan 0.000 0.497 316 K N 0.122 120.371 120.400 -0.252 0.000 2.057 316 K HA -0.145 4.177 4.320 0.003 0.000 0.206 316 K C 1.069 177.418 176.600 -0.418 0.000 1.050 316 K CA 1.447 57.443 56.287 -0.485 0.000 0.935 316 K CB 0.124 32.043 32.500 -0.969 0.000 0.715 316 K HN 0.200 nan 8.250 nan 0.000 0.439 317 Y N -0.659 119.632 120.300 -0.015 0.000 2.445 317 Y HA 0.315 4.867 4.550 0.003 0.000 0.247 317 Y C 0.635 176.546 175.900 0.018 0.000 1.129 317 Y CA 0.141 58.243 58.100 0.003 0.000 1.251 317 Y CB 1.215 39.671 38.460 -0.007 0.000 1.176 317 Y HN 0.266 nan 8.280 nan 0.000 0.522 318 G N 1.405 110.287 108.800 0.137 0.000 2.758 318 G HA2 -0.181 3.781 3.960 0.003 0.000 0.686 318 G HA3 -0.181 3.781 3.960 0.003 0.000 0.686 318 G C -2.050 172.886 174.900 0.061 0.000 1.389 318 G CA -0.471 44.688 45.100 0.098 0.000 0.845 318 G HN 0.021 nan 8.290 nan 0.000 0.572 319 P HA 0.077 nan 4.420 nan 0.000 0.225 319 P C 1.125 178.279 177.300 -0.244 0.000 1.156 319 P CA 1.169 64.179 63.100 -0.149 0.000 0.787 319 P CB 0.024 31.461 31.700 -0.438 0.000 0.802 320 F N 0.077 120.092 119.950 0.108 0.000 2.664 320 F HA 0.366 4.894 4.527 0.002 0.000 0.303 320 F C 1.761 177.578 175.800 0.028 0.000 1.092 320 F CA -0.655 57.386 58.000 0.068 0.000 1.305 320 F CB -0.617 38.413 39.000 0.051 0.000 1.054 320 F HN -0.175 nan 8.300 nan 0.000 0.565 321 G N 1.888 110.769 108.800 0.136 0.000 2.491 321 G HA2 0.173 4.135 3.960 0.003 0.000 0.242 321 G HA3 0.173 4.135 3.960 0.003 0.000 0.242 321 G C -1.356 173.533 174.900 -0.019 0.000 1.266 321 G CA -0.811 44.330 45.100 0.070 0.000 0.844 321 G HN 0.002 nan 8.290 nan 0.000 0.571 322 P HA -0.050 nan 4.420 nan 0.000 0.222 322 P C 0.863 178.058 177.300 -0.176 0.000 1.147 322 P CA 0.878 63.926 63.100 -0.088 0.000 0.790 322 P CB 0.405 32.060 31.700 -0.074 0.000 0.780 323 E N -1.027 118.992 120.200 -0.302 0.000 2.516 323 E HA -0.011 4.341 4.350 0.003 0.000 0.199 323 E C 1.768 178.167 176.600 -0.335 0.000 1.069 323 E CA 0.637 56.724 56.400 -0.522 0.000 0.876 323 E CB -0.618 28.217 29.700 -1.442 0.000 0.843 323 E HN 0.171 nan 8.360 nan 0.000 0.530 324 M N -0.292 119.179 119.600 -0.216 0.000 2.506 324 M HA 0.020 4.502 4.480 0.003 0.000 0.260 324 M C 1.526 177.694 176.300 -0.219 0.000 1.104 324 M CA 1.011 56.186 55.300 -0.209 0.000 1.112 324 M CB -0.738 31.683 32.600 -0.299 0.000 1.401 324 M HN 0.051 nan 8.290 nan 0.000 0.473 325 T N 0.832 115.281 114.554 -0.175 0.000 2.684 325 T HA -0.164 4.188 4.350 0.003 0.000 0.267 325 T C 1.689 176.324 174.700 -0.108 0.000 1.036 325 T CA 1.944 63.961 62.100 -0.138 0.000 1.148 325 T CB -0.386 68.420 68.868 -0.103 0.000 0.863 325 T HN 0.397 nan 8.240 nan 0.000 0.436 326 N N 1.332 119.975 118.700 -0.095 0.000 2.084 326 N HA -0.065 4.677 4.740 0.003 0.000 0.190 326 N C -1.081 174.410 175.510 -0.032 0.000 1.030 326 N CA 1.197 54.212 53.050 -0.058 0.000 0.849 326 N CB -0.597 37.859 38.487 -0.051 0.000 1.012 326 N HN 0.250 nan 8.380 nan 0.000 0.423 327 P HA -0.076 nan 4.420 nan 0.000 0.218 327 P C 1.196 178.503 177.300 0.012 0.000 1.149 327 P CA 0.994 64.104 63.100 0.017 0.000 0.817 327 P CB 0.013 31.738 31.700 0.041 0.000 0.785 328 L N -1.055 120.134 121.223 -0.055 0.000 2.093 328 L HA -0.099 4.243 4.340 0.003 0.000 0.208 328 L C 2.679 179.558 176.870 0.016 0.000 1.085 328 L CA 1.350 56.172 54.840 -0.030 0.000 0.755 328 L CB -0.580 41.390 42.059 -0.148 0.000 0.904 328 L HN -0.102 nan 8.230 nan 0.000 0.435 329 R N 0.080 120.569 120.500 -0.018 0.000 2.081 329 R HA -0.165 4.177 4.340 0.003 0.000 0.235 329 R C 2.150 178.450 176.300 0.001 0.000 1.131 329 R CA 1.398 57.488 56.100 -0.017 0.000 0.960 329 R CB -0.296 29.984 30.300 -0.032 0.000 0.856 329 R HN 0.473 nan 8.270 nan 0.000 0.436 330 E N 0.623 120.834 120.200 0.017 0.000 2.077 330 E HA -0.178 4.174 4.350 0.003 0.000 0.193 330 E C 2.083 178.729 176.600 0.076 0.000 0.989 330 E CA 1.127 57.546 56.400 0.031 0.000 0.800 330 E CB -0.155 29.565 29.700 0.032 0.000 0.746 330 E HN 0.339 nan 8.360 nan 0.000 0.452 331 I N 1.289 121.939 120.570 0.133 0.000 2.226 331 I HA -0.270 3.901 4.170 0.003 0.000 0.245 331 I C 2.260 178.440 176.117 0.105 0.000 1.100 331 I CA 1.366 62.796 61.300 0.217 0.000 1.374 331 I CB -0.235 37.970 38.000 0.342 0.000 1.057 331 I HN 0.060 nan 8.210 nan 0.000 0.413 332 D N 0.917 121.339 120.400 0.037 0.000 2.144 332 D HA -0.245 4.397 4.640 0.003 0.000 0.199 332 D C 2.201 178.445 176.300 -0.095 0.000 0.984 332 D CA 1.271 55.230 54.000 -0.068 0.000 0.834 332 D CB 0.024 40.785 40.800 -0.064 0.000 0.955 332 D HN 0.125 nan 8.370 nan 0.000 0.465 333 K N -0.663 119.704 120.400 -0.056 0.000 2.063 333 K HA -0.141 4.180 4.320 0.003 0.000 0.208 333 K C 1.814 178.364 176.600 -0.084 0.000 1.048 333 K CA 1.668 57.913 56.287 -0.070 0.000 0.928 333 K CB -0.134 32.338 32.500 -0.045 0.000 0.713 333 K HN 0.078 nan 8.250 nan 0.000 0.442 334 T N 0.641 115.161 114.554 -0.057 0.000 2.708 334 T HA -0.118 4.234 4.350 0.003 0.000 0.266 334 T C 1.844 176.435 174.700 -0.181 0.000 1.037 334 T CA 1.478 63.524 62.100 -0.091 0.000 1.146 334 T CB -0.197 68.676 68.868 0.010 0.000 0.865 334 T HN 0.016 nan 8.240 nan 0.000 0.435 335 V N 1.475 121.226 119.914 -0.272 0.000 2.392 335 V HA -0.137 3.984 4.120 0.003 0.000 0.249 335 V C 2.825 178.698 176.094 -0.369 0.000 1.059 335 V CA 1.956 63.945 62.300 -0.518 0.000 1.051 335 V CB -1.346 30.055 31.823 -0.704 0.000 0.658 335 V HN 0.615 nan 8.190 nan 0.000 0.455 336 G N -1.249 107.413 108.800 -0.229 0.000 2.402 336 G HA2 -0.246 3.715 3.960 0.003 0.000 0.216 336 G HA3 -0.246 3.715 3.960 0.003 0.000 0.216 336 G C 1.482 176.313 174.900 -0.115 0.000 1.162 336 G CA 0.681 45.700 45.100 -0.135 0.000 0.777 336 G HN 0.527 nan 8.290 nan 0.000 0.539 337 Q N -0.637 119.090 119.800 -0.121 0.000 2.061 337 Q HA -0.108 4.234 4.340 0.003 0.000 0.204 337 Q C 2.478 178.391 176.000 -0.144 0.000 0.984 337 Q CA 1.333 57.076 55.803 -0.099 0.000 0.846 337 Q CB -0.294 28.377 28.738 -0.111 0.000 0.902 337 Q HN 0.429 nan 8.270 nan 0.000 0.421 338 L N -0.000 121.095 121.223 -0.214 0.000 2.017 338 L HA -0.181 4.161 4.340 0.003 0.000 0.208 338 L C 2.039 178.744 176.870 -0.277 0.000 1.073 338 L CA 1.753 56.453 54.840 -0.233 0.000 0.745 338 L CB -0.334 41.579 42.059 -0.243 0.000 0.894 338 L HN 0.225 nan 8.230 nan 0.000 0.432 339 M N -0.795 118.566 119.600 -0.399 0.000 2.132 339 M HA -0.138 4.344 4.480 0.003 0.000 0.263 339 M C 1.974 178.086 176.300 -0.312 0.000 1.065 339 M CA 1.282 56.221 55.300 -0.601 0.000 1.122 339 M CB -1.480 30.382 32.600 -1.231 0.000 1.365 339 M HN 0.236 nan 8.290 nan 0.000 0.411 340 D N 0.389 120.716 120.400 -0.122 0.000 2.123 340 D HA -0.100 4.542 4.640 0.003 0.000 0.196 340 D C 2.089 178.359 176.300 -0.050 0.000 0.992 340 D CA 1.714 55.706 54.000 -0.015 0.000 0.833 340 D CB -0.596 40.243 40.800 0.065 0.000 0.954 340 D HN 0.450 nan 8.370 nan 0.000 0.455 341 G N 0.533 109.292 108.800 -0.069 0.000 2.418 341 G HA2 -0.194 3.767 3.960 0.003 0.000 0.217 341 G HA3 -0.194 3.767 3.960 0.003 0.000 0.217 341 G C 1.778 176.645 174.900 -0.055 0.000 1.158 341 G CA 0.306 45.375 45.100 -0.052 0.000 0.771 341 G HN 0.257 nan 8.290 nan 0.000 0.545 342 L N -0.028 121.138 121.223 -0.095 0.000 2.056 342 L HA -0.014 4.327 4.340 0.003 0.000 0.207 342 L C 2.820 179.698 176.870 0.014 0.000 1.078 342 L CA 1.365 56.169 54.840 -0.058 0.000 0.749 342 L CB -0.318 41.682 42.059 -0.098 0.000 0.901 342 L HN 0.216 nan 8.230 nan 0.000 0.433 343 K N 0.091 120.456 120.400 -0.058 0.000 2.057 343 K HA -0.222 4.100 4.320 0.003 0.000 0.207 343 K C 2.121 178.694 176.600 -0.046 0.000 1.049 343 K CA 1.426 57.605 56.287 -0.180 0.000 0.931 343 K CB -0.015 32.268 32.500 -0.362 0.000 0.714 343 K HN 0.343 nan 8.250 nan 0.000 0.440 344 Q N 0.124 119.910 119.800 -0.023 0.000 2.197 344 Q HA -0.152 4.189 4.340 0.003 0.000 0.207 344 Q C 1.803 177.831 176.000 0.048 0.000 0.984 344 Q CA 1.250 57.068 55.803 0.024 0.000 0.869 344 Q CB -0.016 28.752 28.738 0.050 0.000 0.906 344 Q HN 0.394 nan 8.270 nan 0.000 0.426 345 L N 0.149 121.397 121.223 0.042 0.000 2.592 345 L HA 0.066 4.408 4.340 0.003 0.000 0.227 345 L C 0.076 176.967 176.870 0.036 0.000 1.127 345 L CA 0.096 54.963 54.840 0.044 0.000 0.884 345 L CB 0.059 42.138 42.059 0.033 0.000 1.065 345 L HN 0.159 nan 8.230 nan 0.000 0.457 346 K N -0.010 120.442 120.400 0.086 0.000 3.117 346 K HA -0.191 4.130 4.320 0.003 0.000 0.269 346 K C 0.527 177.139 176.600 0.019 0.000 1.098 346 K CA 0.374 56.729 56.287 0.113 0.000 0.785 346 K CB -1.762 30.766 32.500 0.047 0.000 1.242 346 K HN 0.348 nan 8.250 nan 0.000 0.491 347 L N -0.547 120.708 121.223 0.053 0.000 2.766 347 L HA 0.093 4.435 4.340 0.003 0.000 0.242 347 L C 1.817 178.680 176.870 -0.011 0.000 1.136 347 L CA 0.003 54.793 54.840 -0.083 0.000 0.933 347 L CB -0.090 41.899 42.059 -0.116 0.000 1.241 347 L HN 0.394 nan 8.230 nan 0.000 0.522 348 H N -1.220 117.839 119.070 -0.019 0.000 2.546 348 H HA 0.051 4.607 4.556 0.001 0.000 0.277 348 H C 1.456 176.865 175.328 0.134 0.000 1.004 348 H CA 0.387 56.456 56.048 0.035 0.000 1.231 348 H CB -0.045 29.774 29.762 0.094 0.000 1.382 348 H HN 0.137 nan 8.280 nan 0.000 0.580 349 R N -0.219 120.113 120.500 -0.280 0.000 2.662 349 R HA 0.243 4.585 4.340 0.003 0.000 0.396 349 R C 0.173 176.401 176.300 -0.120 0.000 1.096 349 R CA 0.225 56.223 56.100 -0.170 0.000 1.081 349 R CB 0.530 30.675 30.300 -0.259 0.000 1.382 349 R HN 0.439 nan 8.270 nan 0.000 0.580 350 c N -0.879 117.665 118.600 -0.093 0.000 2.426 350 c HA 0.327 4.899 4.570 0.003 0.000 0.436 350 c C 0.772 174.859 174.090 -0.004 0.000 1.380 350 c CA 0.009 56.287 56.329 -0.086 0.000 2.446 350 c CB 0.281 42.672 42.510 -0.198 0.000 2.794 350 c HN 0.084 nan 8.230 nan 0.000 0.559 351 V N 3.953 123.884 119.914 0.028 0.000 2.732 351 V HA 0.293 4.414 4.120 0.003 0.000 0.297 351 V C -0.406 175.779 176.094 0.152 0.000 1.060 351 V CA 0.028 62.388 62.300 0.098 0.000 1.038 351 V CB 1.027 32.899 31.823 0.080 0.000 1.003 351 V HN 0.480 nan 8.190 nan 0.000 0.481 352 N N 2.444 121.261 118.700 0.195 0.000 2.426 352 N HA 0.431 5.172 4.740 0.003 0.000 0.275 352 N C -0.856 174.844 175.510 0.317 0.000 1.019 352 N CA -0.212 53.011 53.050 0.289 0.000 0.941 352 N CB 1.979 40.630 38.487 0.272 0.000 1.123 352 N HN 0.369 nan 8.380 nan 0.000 0.486 353 V N 3.729 123.841 119.914 0.330 0.000 2.459 353 V HA 0.481 4.602 4.120 0.003 0.000 0.295 353 V C 0.332 176.536 176.094 0.184 0.000 1.029 353 V CA -0.690 61.746 62.300 0.226 0.000 0.874 353 V CB 1.589 33.474 31.823 0.103 0.000 0.985 353 V HN 0.485 nan 8.190 nan 0.000 0.438 354 I N 4.856 125.548 120.570 0.203 0.000 2.378 354 I HA 0.412 4.584 4.170 0.003 0.000 0.291 354 I C -0.995 175.206 176.117 0.140 0.000 0.992 354 I CA -0.402 60.965 61.300 0.112 0.000 1.154 354 I CB 1.609 39.783 38.000 0.291 0.000 1.315 354 I HN 0.550 nan 8.210 nan 0.000 0.448 355 F N 8.352 128.198 119.950 -0.173 0.000 2.388 355 F HA 0.689 5.218 4.527 0.004 0.000 0.358 355 F C -0.899 174.833 175.800 -0.113 0.000 1.122 355 F CA -0.516 57.407 58.000 -0.128 0.000 1.056 355 F CB 1.126 39.944 39.000 -0.303 0.000 1.155 355 F HN 0.145 nan 8.300 nan 0.000 0.461 356 V N 5.821 125.502 119.914 -0.387 0.000 2.851 356 V HA 0.828 4.949 4.120 0.003 0.000 0.307 356 V C -0.500 175.468 176.094 -0.210 0.000 1.129 356 V CA -0.181 62.036 62.300 -0.138 0.000 0.932 356 V CB 1.762 33.677 31.823 0.154 0.000 1.024 356 V HN 0.931 nan 8.190 nan 0.000 0.426 357 G N 2.835 111.565 108.800 -0.117 0.000 2.491 357 G HA2 0.509 4.470 3.960 0.003 0.000 0.327 357 G HA3 0.509 4.470 3.960 0.003 0.000 0.327 357 G C 0.228 175.126 174.900 -0.002 0.000 1.189 357 G CA 0.280 45.339 45.100 -0.069 0.000 0.956 357 G HN 0.862 nan 8.290 nan 0.000 0.491 358 D N -1.970 118.392 120.400 -0.063 0.000 2.277 358 D HA 0.099 4.740 4.640 0.003 0.000 0.209 358 D C 0.675 176.989 176.300 0.023 0.000 0.970 358 D CA 1.023 55.024 54.000 0.002 0.000 0.874 358 D CB -0.016 40.833 40.800 0.081 0.000 0.982 358 D HN 0.646 nan 8.370 nan 0.000 0.504 359 H N -3.731 115.364 119.070 0.041 0.000 2.904 359 H HA 0.593 5.151 4.556 0.003 0.000 0.290 359 H C 0.120 175.421 175.328 -0.046 0.000 1.437 359 H CA -0.874 55.176 56.048 0.004 0.000 1.147 359 H CB 0.830 30.571 29.762 -0.034 0.000 1.824 359 H HN 0.034 nan 8.280 nan 0.000 0.505 360 G N -0.522 108.374 108.800 0.159 0.000 2.630 360 G HA2 0.527 4.489 3.960 0.003 0.000 0.223 360 G HA3 0.527 4.489 3.960 0.003 0.000 0.223 360 G C -0.825 174.133 174.900 0.097 0.000 1.434 360 G CA -0.421 44.699 45.100 0.034 0.000 1.057 360 G HN 0.762 nan 8.290 nan 0.000 0.570 361 M N -1.054 118.542 119.600 -0.008 0.000 2.365 361 M HA 0.552 5.034 4.480 0.003 0.000 0.288 361 M C -1.568 174.736 176.300 0.006 0.000 1.152 361 M CA -0.593 54.724 55.300 0.028 0.000 0.948 361 M CB 2.367 34.948 32.600 -0.032 0.000 1.729 361 M HN 0.568 nan 8.290 nan 0.000 0.487 362 E N 1.414 121.678 120.200 0.107 0.000 2.299 362 E HA 0.477 4.829 4.350 0.003 0.000 0.265 362 E C -1.478 175.185 176.600 0.105 0.000 0.911 362 E CA -0.394 56.077 56.400 0.119 0.000 0.789 362 E CB 1.443 31.299 29.700 0.262 0.000 1.246 362 E HN 0.642 nan 8.360 nan 0.000 0.427 363 D N 1.667 122.129 120.400 0.103 0.000 2.346 363 D HA 0.232 4.874 4.640 0.003 0.000 0.260 363 D C -0.836 175.493 176.300 0.049 0.000 1.252 363 D CA 0.278 54.336 54.000 0.097 0.000 0.895 363 D CB 0.670 41.551 40.800 0.136 0.000 1.097 363 D HN 0.094 nan 8.370 nan 0.000 0.489 364 V N 2.629 122.575 119.914 0.053 0.000 2.567 364 V HA 0.348 4.470 4.120 0.003 0.000 0.298 364 V C 0.345 176.482 176.094 0.072 0.000 1.047 364 V CA -0.795 61.497 62.300 -0.012 0.000 0.880 364 V CB 1.976 33.765 31.823 -0.057 0.000 1.009 364 V HN 0.592 nan 8.190 nan 0.000 0.429 365 T N -0.372 114.115 114.554 -0.112 0.000 2.926 365 T HA 0.333 4.685 4.350 0.003 0.000 0.289 365 T C 1.099 175.625 174.700 -0.291 0.000 1.054 365 T CA -0.391 61.538 62.100 -0.285 0.000 1.015 365 T CB 1.541 70.242 68.868 -0.279 0.000 1.167 365 T HN 0.471 nan 8.240 nan 0.000 0.526 366 c N 0.629 118.931 118.600 -0.498 0.000 2.403 366 c HA -0.075 4.496 4.570 0.003 0.000 0.277 366 c C 2.243 176.266 174.090 -0.112 0.000 1.248 366 c CA 0.893 57.100 56.329 -0.204 0.000 1.762 366 c CB -1.277 41.079 42.510 -0.257 0.000 2.014 366 c HN 0.872 nan 8.230 nan 0.000 0.486 367 D N 0.130 120.416 120.400 -0.189 0.000 2.350 367 D HA -0.037 4.604 4.640 0.003 0.000 0.216 367 D C 1.247 177.370 176.300 -0.296 0.000 0.968 367 D CA 0.845 54.749 54.000 -0.161 0.000 0.894 367 D CB -0.272 40.434 40.800 -0.157 0.000 0.909 367 D HN 0.556 nan 8.370 nan 0.000 0.520 368 R N 0.374 120.562 120.500 -0.520 0.000 3.301 368 R HA 0.262 4.604 4.340 0.003 0.000 0.286 368 R C -0.582 175.362 176.300 -0.593 0.000 1.386 368 R CA -0.083 55.266 56.100 -1.252 0.000 1.607 368 R CB 0.658 29.846 30.300 -1.854 0.000 1.305 368 R HN -0.152 nan 8.270 nan 0.000 0.637 369 T N 0.788 115.295 114.554 -0.078 0.000 2.809 369 T HA 0.217 4.569 4.350 0.003 0.000 0.284 369 T C -0.228 174.485 174.700 0.021 0.000 0.992 369 T CA -0.768 61.347 62.100 0.025 0.000 0.957 369 T CB 2.161 70.884 68.868 -0.241 0.000 0.942 369 T HN 0.140 nan 8.240 nan 0.000 0.439 370 E N 2.225 122.528 120.200 0.171 0.000 2.331 370 E HA 0.318 4.669 4.350 0.003 0.000 0.272 370 E C -0.880 175.582 176.600 -0.230 0.000 1.036 370 E CA -0.117 56.371 56.400 0.147 0.000 0.864 370 E CB 0.939 30.862 29.700 0.372 0.000 1.035 370 E HN 0.440 nan 8.360 nan 0.000 0.408 371 F N 1.855 121.982 119.950 0.296 0.000 2.458 371 F HA 0.201 4.730 4.527 0.003 0.000 0.336 371 F C 1.486 177.435 175.800 0.249 0.000 1.114 371 F CA -0.602 57.515 58.000 0.195 0.000 0.987 371 F CB 0.931 40.027 39.000 0.161 0.000 1.130 371 F HN 0.331 nan 8.300 nan 0.000 0.458 372 L N 1.324 122.709 121.223 0.270 0.000 2.131 372 L HA -0.184 4.158 4.340 0.003 0.000 0.210 372 L C 2.349 179.407 176.870 0.314 0.000 1.092 372 L CA 1.394 56.368 54.840 0.224 0.000 0.759 372 L CB -0.578 41.511 42.059 0.050 0.000 0.903 372 L HN 0.782 nan 8.230 nan 0.000 0.435 373 S N -0.554 115.301 115.700 0.259 0.000 2.440 373 S HA -0.230 4.242 4.470 0.003 0.000 0.238 373 S C 1.424 176.125 174.600 0.168 0.000 1.010 373 S CA 1.674 59.978 58.200 0.174 0.000 0.972 373 S CB -0.850 62.411 63.200 0.101 0.000 0.774 373 S HN 0.556 nan 8.310 nan 0.000 0.501 374 N N -0.313 118.530 118.700 0.238 0.000 2.512 374 N HA 0.049 4.790 4.740 0.003 0.000 0.183 374 N C 0.647 176.105 175.510 -0.088 0.000 1.073 374 N CA 1.054 54.143 53.050 0.065 0.000 0.911 374 N CB -0.084 38.415 38.487 0.019 0.000 0.964 374 N HN 0.533 nan 8.380 nan 0.000 0.447 375 Y N -0.271 120.095 120.300 0.110 0.000 2.526 375 Y HA 0.370 4.922 4.550 0.003 0.000 0.265 375 Y C 0.166 176.106 175.900 0.067 0.000 1.092 375 Y CA -0.158 57.999 58.100 0.095 0.000 1.277 375 Y CB 0.797 39.344 38.460 0.146 0.000 1.228 375 Y HN -0.152 nan 8.280 nan 0.000 0.507 376 L N -0.673 120.687 121.223 0.228 0.000 2.370 376 L HA 0.386 4.728 4.340 0.003 0.000 0.266 376 L C 0.775 177.701 176.870 0.094 0.000 1.002 376 L CA -0.396 54.529 54.840 0.140 0.000 0.818 376 L CB 2.129 44.265 42.059 0.129 0.000 1.325 376 L HN -0.147 nan 8.230 nan 0.000 0.418 377 T N -0.218 114.375 114.554 0.065 0.000 2.896 377 T HA -0.015 4.336 4.350 0.003 0.000 0.263 377 T C 0.458 175.183 174.700 0.042 0.000 1.050 377 T CA 1.285 63.412 62.100 0.045 0.000 1.140 377 T CB -0.170 68.717 68.868 0.031 0.000 0.877 377 T HN 0.536 nan 8.240 nan 0.000 0.457 378 N N 1.222 119.950 118.700 0.047 0.000 2.841 378 N HA 0.286 5.027 4.740 0.003 0.000 0.257 378 N C 0.670 176.209 175.510 0.049 0.000 1.396 378 N CA -0.195 52.879 53.050 0.041 0.000 0.823 378 N CB 1.603 40.112 38.487 0.037 0.000 1.162 378 N HN 0.069 nan 8.380 nan 0.000 0.503 379 V N -2.702 117.242 119.914 0.050 0.000 3.380 379 V HA 0.008 4.130 4.120 0.003 0.000 0.268 379 V C 0.876 176.990 176.094 0.033 0.000 1.168 379 V CA 1.064 63.394 62.300 0.051 0.000 1.156 379 V CB -0.046 31.814 31.823 0.061 0.000 0.785 379 V HN 0.315 nan 8.190 nan 0.000 0.487 380 D N 1.026 121.442 120.400 0.025 0.000 2.347 380 D HA -0.048 4.594 4.640 0.003 0.000 0.215 380 D C 1.228 177.534 176.300 0.009 0.000 0.976 380 D CA 0.983 54.990 54.000 0.013 0.000 0.884 380 D CB 0.026 40.832 40.800 0.009 0.000 0.915 380 D HN 0.531 nan 8.370 nan 0.000 0.526 381 D N 0.246 120.659 120.400 0.021 0.000 2.349 381 D HA 0.098 4.740 4.640 0.003 0.000 0.214 381 D C 1.020 177.327 176.300 0.012 0.000 1.063 381 D CA 0.014 54.026 54.000 0.020 0.000 0.847 381 D CB 0.943 41.768 40.800 0.043 0.000 0.933 381 D HN 0.389 nan 8.370 nan 0.000 0.513 382 I N -2.335 118.242 120.570 0.012 0.000 2.693 382 I HA 0.467 4.639 4.170 0.003 0.000 0.303 382 I C -0.379 175.712 176.117 -0.043 0.000 1.025 382 I CA -0.711 60.581 61.300 -0.013 0.000 1.086 382 I CB 2.272 40.300 38.000 0.046 0.000 1.268 382 I HN -0.430 nan 8.210 nan 0.000 0.440 383 T N 5.502 120.006 114.554 -0.083 0.000 2.795 383 T HA 0.573 4.925 4.350 0.003 0.000 0.282 383 T C -0.694 173.966 174.700 -0.067 0.000 0.980 383 T CA -0.293 61.759 62.100 -0.079 0.000 1.012 383 T CB 1.340 70.139 68.868 -0.116 0.000 0.936 383 T HN 0.488 nan 8.240 nan 0.000 0.457 384 L N 5.102 126.291 121.223 -0.057 0.000 2.325 384 L HA 0.593 4.935 4.340 0.003 0.000 0.281 384 L C -0.713 176.113 176.870 -0.073 0.000 1.004 384 L CA -0.622 54.178 54.840 -0.066 0.000 0.823 384 L CB 1.383 43.398 42.059 -0.073 0.000 1.236 384 L HN 0.405 nan 8.230 nan 0.000 0.415 385 V N 8.157 128.027 119.914 -0.072 0.000 2.415 385 V HA 0.357 4.479 4.120 0.003 0.000 0.267 385 V C -1.837 174.180 176.094 -0.128 0.000 1.042 385 V CA -0.677 61.575 62.300 -0.081 0.000 1.000 385 V CB 0.070 31.862 31.823 -0.052 0.000 1.015 385 V HN 0.745 nan 8.190 nan 0.000 0.478 386 P HA 0.800 nan 4.420 nan 0.000 0.309 386 P C 0.284 177.420 177.300 -0.272 0.000 1.302 386 P CA 0.263 63.242 63.100 -0.202 0.000 0.835 386 P CB 2.608 34.193 31.700 -0.191 0.000 1.324 387 G N -0.322 108.281 108.800 -0.328 0.000 2.826 387 G HA2 -0.207 3.755 3.960 0.003 0.000 0.233 387 G HA3 -0.207 3.755 3.960 0.003 0.000 0.233 387 G C 0.672 175.475 174.900 -0.162 0.000 1.296 387 G CA 0.457 45.269 45.100 -0.481 0.000 1.001 387 G HN 0.718 nan 8.290 nan 0.000 0.576 388 T N 0.519 114.931 114.554 -0.236 0.000 3.169 388 T HA 0.550 4.901 4.350 0.003 0.000 0.250 388 T C 0.840 175.401 174.700 -0.232 0.000 1.111 388 T CA 1.314 63.173 62.100 -0.401 0.000 1.010 388 T CB -0.686 67.531 68.868 -1.086 0.000 0.984 388 T HN 1.738 nan 8.240 nan 0.000 0.537 389 L N -3.952 117.179 121.223 -0.153 0.000 2.568 389 L HA 0.953 5.295 4.340 0.003 0.000 0.257 389 L C -0.839 175.924 176.870 -0.178 0.000 1.024 389 L CA -1.503 53.289 54.840 -0.081 0.000 0.854 389 L CB 1.529 43.548 42.059 -0.067 0.000 1.460 389 L HN -0.032 nan 8.230 nan 0.000 0.409 390 G N 0.669 109.293 108.800 -0.293 0.000 2.617 390 G HA2 0.749 4.711 3.960 0.003 0.000 0.306 390 G HA3 0.749 4.711 3.960 0.003 0.000 0.306 390 G C -1.452 173.234 174.900 -0.356 0.000 1.360 390 G CA -0.805 44.121 45.100 -0.290 0.000 0.983 390 G HN 0.596 nan 8.290 nan 0.000 0.496 391 R N 1.732 122.133 120.500 -0.164 0.000 2.561 391 R HA 0.516 4.858 4.340 0.003 0.000 0.297 391 R C -1.069 175.216 176.300 -0.025 0.000 0.969 391 R CA -0.744 55.331 56.100 -0.042 0.000 0.879 391 R CB 2.582 32.921 30.300 0.065 0.000 1.178 391 R HN 0.415 nan 8.270 nan 0.000 0.445 392 I N 3.454 124.034 120.570 0.016 0.000 2.474 392 I HA 0.517 4.689 4.170 0.003 0.000 0.294 392 I C -0.036 176.086 176.117 0.009 0.000 1.005 392 I CA -0.832 60.479 61.300 0.019 0.000 1.113 392 I CB 1.791 39.832 38.000 0.070 0.000 1.289 392 I HN 0.564 nan 8.210 nan 0.000 0.436 393 R N 5.476 125.907 120.500 -0.115 0.000 2.764 393 R HA 0.616 4.958 4.340 0.003 0.000 0.270 393 R C -3.185 172.822 176.300 -0.489 0.000 1.014 393 R CA -1.890 54.009 56.100 -0.336 0.000 0.904 393 R CB 1.537 31.709 30.300 -0.214 0.000 1.236 393 R HN 0.134 nan 8.270 nan 0.000 0.466 394 P HA -0.034 nan 4.420 nan 0.000 0.269 394 P C -0.339 176.798 177.300 -0.272 0.000 1.209 394 P CA -0.179 62.626 63.100 -0.492 0.000 0.776 394 P CB 1.231 32.645 31.700 -0.476 0.000 0.876 395 K N 2.629 122.931 120.400 -0.164 0.000 2.057 395 K HA -0.049 4.273 4.320 0.003 0.000 0.207 395 K C 0.639 177.155 176.600 -0.139 0.000 1.049 395 K CA 1.017 57.224 56.287 -0.133 0.000 0.931 395 K CB -0.118 32.337 32.500 -0.075 0.000 0.714 395 K HN 0.460 nan 8.250 nan 0.000 0.440 396 I N 3.236 123.740 120.570 -0.110 0.000 2.312 396 I HA 0.162 4.334 4.170 0.003 0.000 0.291 396 I C -2.264 173.787 176.117 -0.110 0.000 1.031 396 I CA -2.617 58.629 61.300 -0.089 0.000 1.293 396 I CB 1.292 39.266 38.000 -0.043 0.000 1.403 396 I HN -0.010 nan 8.210 nan 0.000 0.484 397 P HA 0.032 nan 4.420 nan 0.000 0.265 397 P C -0.214 177.069 177.300 -0.029 0.000 1.193 397 P CA 0.406 63.453 63.100 -0.088 0.000 0.765 397 P CB 0.186 31.877 31.700 -0.015 0.000 0.823 398 N N -1.027 117.658 118.700 -0.024 0.000 2.828 398 N HA -0.228 4.514 4.740 0.003 0.000 0.248 398 N C 0.081 175.602 175.510 0.018 0.000 1.044 398 N CA 0.056 53.113 53.050 0.012 0.000 0.851 398 N CB -1.559 36.948 38.487 0.033 0.000 1.136 398 N HN 0.493 nan 8.380 nan 0.000 0.572 399 N N 1.711 120.407 118.700 -0.006 0.000 2.374 399 N HA -0.028 4.714 4.740 0.003 0.000 0.269 399 N C 0.929 176.486 175.510 0.080 0.000 1.310 399 N CA 0.433 53.498 53.050 0.025 0.000 0.877 399 N CB 0.423 38.915 38.487 0.008 0.000 1.096 399 N HN 0.295 nan 8.380 nan 0.000 0.484 400 L N 2.982 124.245 121.223 0.066 0.000 2.362 400 L HA -0.055 4.287 4.340 0.003 0.000 0.219 400 L C 2.016 178.935 176.870 0.082 0.000 1.134 400 L CA 0.798 55.681 54.840 0.073 0.000 0.807 400 L CB -0.162 41.926 42.059 0.048 0.000 0.927 400 L HN 0.546 nan 8.230 nan 0.000 0.447 401 K N -0.460 119.992 120.400 0.086 0.000 2.426 401 K HA -0.062 4.259 4.320 0.003 0.000 0.193 401 K C 0.215 176.883 176.600 0.113 0.000 1.028 401 K CA -0.275 56.058 56.287 0.077 0.000 1.047 401 K CB 0.214 32.749 32.500 0.058 0.000 0.821 401 K HN -0.008 nan 8.250 nan 0.000 0.513 402 Y N 2.231 122.535 120.300 0.006 0.000 2.802 402 Y HA -0.159 4.393 4.550 0.003 0.000 0.333 402 Y C -0.168 175.737 175.900 0.008 0.000 1.244 402 Y CA 0.102 58.206 58.100 0.006 0.000 1.558 402 Y CB 0.124 38.587 38.460 0.005 0.000 1.233 402 Y HN -0.056 nan 8.280 nan 0.000 0.547 403 D N 9.345 129.539 120.400 -0.343 0.000 2.483 403 D HA 0.242 4.884 4.640 0.003 0.000 0.281 403 D C -1.909 174.117 176.300 -0.456 0.000 1.174 403 D CA -2.045 51.767 54.000 -0.313 0.000 0.938 403 D CB 1.014 41.730 40.800 -0.140 0.000 1.002 403 D HN 0.351 nan 8.370 nan 0.000 0.501 404 P HA -0.140 nan 4.420 nan 0.000 0.217 404 P C 1.159 178.339 177.300 -0.201 0.000 1.150 404 P CA 0.836 63.660 63.100 -0.461 0.000 0.832 404 P CB 0.654 32.146 31.700 -0.348 0.000 0.787 405 K N -0.132 120.180 120.400 -0.147 0.000 2.097 405 K HA -0.031 4.290 4.320 0.003 0.000 0.205 405 K C 2.293 178.850 176.600 -0.073 0.000 1.050 405 K CA 1.382 57.618 56.287 -0.085 0.000 0.938 405 K CB -0.503 31.960 32.500 -0.062 0.000 0.718 405 K HN 0.041 nan 8.250 nan 0.000 0.442 406 A N 1.523 124.292 122.820 -0.085 0.000 1.898 406 A HA -0.114 4.207 4.320 0.003 0.000 0.216 406 A C 2.111 179.670 177.584 -0.042 0.000 1.181 406 A CA 1.108 53.111 52.037 -0.056 0.000 0.620 406 A CB -0.487 18.481 19.000 -0.053 0.000 0.819 406 A HN 0.138 nan 8.150 nan 0.000 0.442 407 I N -0.153 120.376 120.570 -0.068 0.000 2.142 407 I HA -0.264 3.907 4.170 0.003 0.000 0.240 407 I C 2.329 178.443 176.117 -0.005 0.000 1.078 407 I CA 1.354 62.637 61.300 -0.029 0.000 1.343 407 I CB -0.329 37.642 38.000 -0.049 0.000 1.046 407 I HN 0.302 nan 8.210 nan 0.000 0.405 408 I N 0.819 121.375 120.570 -0.023 0.000 2.208 408 I HA -0.338 3.834 4.170 0.003 0.000 0.245 408 I C 2.819 178.929 176.117 -0.012 0.000 1.097 408 I CA 1.483 62.778 61.300 -0.009 0.000 1.363 408 I CB -0.578 37.413 38.000 -0.015 0.000 1.051 408 I HN 0.238 nan 8.210 nan 0.000 0.413 409 A N 0.935 123.743 122.820 -0.020 0.000 1.908 409 A HA -0.239 4.083 4.320 0.003 0.000 0.218 409 A C 1.950 179.537 177.584 0.005 0.000 1.181 409 A CA 2.155 54.180 52.037 -0.021 0.000 0.627 409 A CB -0.754 18.231 19.000 -0.026 0.000 0.818 409 A HN 0.406 nan 8.150 nan 0.000 0.445 410 N N -0.418 118.302 118.700 0.033 0.000 2.453 410 N HA 0.012 4.754 4.740 0.003 0.000 0.183 410 N C 1.106 176.716 175.510 0.166 0.000 1.041 410 N CA 0.756 53.861 53.050 0.092 0.000 0.900 410 N CB -0.205 38.346 38.487 0.106 0.000 0.961 410 N HN 0.517 nan 8.380 nan 0.000 0.443 411 L N -0.919 120.358 121.223 0.090 0.000 2.640 411 L HA 0.184 4.526 4.340 0.003 0.000 0.230 411 L C -0.094 176.748 176.870 -0.048 0.000 1.123 411 L CA 0.201 55.072 54.840 0.051 0.000 0.900 411 L CB 0.249 42.357 42.059 0.082 0.000 1.146 411 L HN -0.102 nan 8.230 nan 0.000 0.484 412 T N -0.135 114.394 114.554 -0.042 0.000 2.738 412 T HA 0.154 4.506 4.350 0.003 0.000 0.298 412 T C 0.504 175.135 174.700 -0.115 0.000 0.962 412 T CA -0.284 61.751 62.100 -0.110 0.000 0.972 412 T CB 0.473 69.279 68.868 -0.104 0.000 0.928 412 T HN 0.236 nan 8.240 nan 0.000 0.474 413 c N 4.212 122.709 118.600 -0.171 0.000 4.167 413 c HA -0.101 4.470 4.570 0.003 0.000 0.302 413 c C 1.523 175.549 174.090 -0.106 0.000 1.384 413 c CA 0.115 56.347 56.329 -0.163 0.000 2.041 413 c CB -1.783 40.627 42.510 -0.166 0.000 1.303 413 c HN 0.804 nan 8.230 nan 0.000 0.718 414 K N 0.038 120.408 120.400 -0.049 0.000 2.352 414 K HA 0.171 4.493 4.320 0.003 0.000 0.194 414 K C 0.688 177.257 176.600 -0.052 0.000 1.038 414 K CA 0.713 56.997 56.287 -0.005 0.000 1.023 414 K CB 0.339 32.907 32.500 0.114 0.000 0.840 414 K HN 0.667 nan 8.250 nan 0.000 0.519 415 K N 0.703 121.060 120.400 -0.071 0.000 2.371 415 K HA 0.229 4.551 4.320 0.003 0.000 0.251 415 K C -1.984 174.522 176.600 -0.157 0.000 0.934 415 K CA -1.859 54.359 56.287 -0.116 0.000 0.798 415 K CB 2.309 34.741 32.500 -0.113 0.000 1.204 415 K HN -0.291 nan 8.250 nan 0.000 0.427 416 P HA -0.174 nan 4.420 nan 0.000 0.218 416 P C 0.021 177.202 177.300 -0.198 0.000 1.149 416 P CA 1.464 64.478 63.100 -0.143 0.000 0.817 416 P CB 0.186 31.825 31.700 -0.101 0.000 0.785 417 D N -1.379 118.868 120.400 -0.255 0.000 2.463 417 D HA 0.027 4.669 4.640 0.003 0.000 0.224 417 D C 0.615 176.417 176.300 -0.830 0.000 1.174 417 D CA -0.408 53.348 54.000 -0.406 0.000 0.829 417 D CB -0.896 39.745 40.800 -0.264 0.000 0.993 417 D HN 0.190 nan 8.370 nan 0.000 0.497 418 Q N 0.750 120.198 119.800 -0.587 0.000 2.269 418 Q HA -0.105 4.237 4.340 0.003 0.000 0.300 418 Q C 0.063 175.597 176.000 -0.777 0.000 1.070 418 Q CA 0.445 55.866 55.803 -0.637 0.000 0.957 418 Q CB 0.387 28.820 28.738 -0.508 0.000 1.131 418 Q HN 0.315 nan 8.270 nan 0.000 0.377 419 H N 5.234 124.035 119.070 -0.448 0.000 2.507 419 H HA 0.169 4.727 4.556 0.003 0.000 0.294 419 H C -0.786 174.516 175.328 -0.042 0.000 1.064 419 H CA 0.172 55.949 56.048 -0.452 0.000 1.138 419 H CB -0.457 28.625 29.762 -1.133 0.000 1.515 419 H HN 0.467 nan 8.280 nan 0.000 0.547 420 F N -1.295 118.604 119.950 -0.085 0.000 2.741 420 F HA 0.583 5.111 4.527 0.003 0.000 0.313 420 F C -1.348 174.423 175.800 -0.049 0.000 1.153 420 F CA -1.459 56.532 58.000 -0.014 0.000 0.931 420 F CB 1.941 40.933 39.000 -0.013 0.000 1.335 420 F HN -0.314 nan 8.300 nan 0.000 0.460 421 K N 2.395 122.898 120.400 0.172 0.000 2.507 421 K HA 0.526 4.847 4.320 0.003 0.000 0.251 421 K C -3.261 173.446 176.600 0.178 0.000 0.943 421 K CA -2.019 54.272 56.287 0.006 0.000 0.794 421 K CB 2.742 35.223 32.500 -0.031 0.000 1.188 421 K HN 0.469 nan 8.250 nan 0.000 0.428 422 P HA 0.216 nan 4.420 nan 0.000 0.282 422 P C -1.457 175.829 177.300 -0.023 0.000 1.249 422 P CA -0.232 62.944 63.100 0.127 0.000 0.806 422 P CB 0.629 32.379 31.700 0.083 0.000 0.984 423 Y N 0.422 120.811 120.300 0.148 0.000 2.470 423 Y HA 0.303 4.855 4.550 0.003 0.000 0.341 423 Y C 0.682 176.651 175.900 0.115 0.000 1.021 423 Y CA -1.128 57.063 58.100 0.151 0.000 1.025 423 Y CB 1.970 40.530 38.460 0.167 0.000 1.266 423 Y HN 0.166 nan 8.280 nan 0.000 0.448 424 M N 3.548 123.274 119.600 0.209 0.000 2.245 424 M HA 0.083 4.565 4.480 0.003 0.000 0.344 424 M C 1.335 177.632 176.300 -0.006 0.000 1.170 424 M CA 0.007 55.324 55.300 0.029 0.000 1.135 424 M CB 0.927 33.433 32.600 -0.156 0.000 1.574 424 M HN 0.831 nan 8.290 nan 0.000 0.452 425 K N 2.366 122.709 120.400 -0.095 0.000 2.152 425 K HA -0.201 4.121 4.320 0.003 0.000 0.206 425 K C 1.361 177.821 176.600 -0.233 0.000 1.048 425 K CA 1.345 57.543 56.287 -0.149 0.000 0.933 425 K CB -0.280 32.088 32.500 -0.220 0.000 0.721 425 K HN 0.691 nan 8.250 nan 0.000 0.447 426 Q N 1.175 120.744 119.800 -0.385 0.000 2.364 426 Q HA -0.177 4.165 4.340 0.003 0.000 0.207 426 Q C 0.761 176.753 176.000 -0.013 0.000 0.970 426 Q CA 1.588 57.217 55.803 -0.290 0.000 0.888 426 Q CB -0.491 28.044 28.738 -0.339 0.000 0.951 426 Q HN 0.729 nan 8.270 nan 0.000 0.469 427 H N -0.097 119.010 119.070 0.062 0.000 2.553 427 H HA 0.314 4.872 4.556 0.003 0.000 0.265 427 H C 0.290 175.756 175.328 0.231 0.000 0.964 427 H CA -0.753 55.409 56.048 0.190 0.000 1.156 427 H CB 0.501 30.416 29.762 0.255 0.000 1.411 427 H HN 0.066 nan 8.280 nan 0.000 0.558 428 L N 2.390 123.661 121.223 0.080 0.000 2.483 428 L HA 0.063 4.405 4.340 0.003 0.000 0.276 428 L C -1.931 174.878 176.870 -0.103 0.000 1.213 428 L CA -1.974 52.685 54.840 -0.303 0.000 0.843 428 L CB 0.105 41.950 42.059 -0.357 0.000 1.107 428 L HN -0.076 nan 8.230 nan 0.000 0.487 429 P HA -0.075 nan 4.420 nan 0.000 0.261 429 P C -0.080 177.130 177.300 -0.150 0.000 1.173 429 P CA 0.117 63.124 63.100 -0.155 0.000 0.760 429 P CB 0.364 31.818 31.700 -0.410 0.000 0.783 430 K N 4.132 124.479 120.400 -0.088 0.000 2.147 430 K HA -0.161 4.161 4.320 0.003 0.000 0.205 430 K C 1.829 178.107 176.600 -0.535 0.000 1.049 430 K CA 1.420 57.536 56.287 -0.285 0.000 0.936 430 K CB -0.327 32.011 32.500 -0.270 0.000 0.722 430 K HN 0.565 nan 8.250 nan 0.000 0.446 431 R N 0.923 121.228 120.500 -0.325 0.000 2.159 431 R HA -0.065 4.277 4.340 0.003 0.000 0.237 431 R C 2.048 178.189 176.300 -0.266 0.000 1.131 431 R CA 1.087 57.023 56.100 -0.275 0.000 0.982 431 R CB -0.762 29.479 30.300 -0.098 0.000 0.868 431 R HN 0.116 nan 8.270 nan 0.000 0.453 432 L N 0.138 121.188 121.223 -0.288 0.000 2.313 432 L HA 0.004 4.346 4.340 0.003 0.000 0.214 432 L C 0.246 177.059 176.870 -0.096 0.000 1.119 432 L CA 0.341 55.079 54.840 -0.171 0.000 0.809 432 L CB -0.740 41.153 42.059 -0.277 0.000 0.933 432 L HN 0.367 nan 8.230 nan 0.000 0.449 433 H N -1.488 117.453 119.070 -0.214 0.000 2.626 433 H HA -0.254 4.304 4.556 0.003 0.000 0.317 433 H C -0.569 174.700 175.328 -0.098 0.000 1.140 433 H CA 0.638 56.492 56.048 -0.324 0.000 1.134 433 H CB -1.917 27.253 29.762 -0.987 0.000 1.486 433 H HN 0.341 nan 8.280 nan 0.000 0.417 434 Y N -0.569 119.657 120.300 -0.123 0.000 2.747 434 Y HA 0.541 5.093 4.550 0.003 0.000 0.362 434 Y C 0.363 176.201 175.900 -0.103 0.000 1.026 434 Y CA 0.163 58.217 58.100 -0.076 0.000 1.135 434 Y CB 0.173 38.611 38.460 -0.036 0.000 1.175 434 Y HN 0.350 nan 8.280 nan 0.000 0.643 435 A N 1.859 124.558 122.820 -0.202 0.000 1.806 435 A HA 0.084 4.406 4.320 0.003 0.000 0.193 435 A C 0.412 177.993 177.584 -0.006 0.000 1.883 435 A CA -0.084 51.840 52.037 -0.189 0.000 1.434 435 A CB -0.005 18.906 19.000 -0.148 0.000 1.505 435 A HN 0.335 nan 8.150 nan 0.000 0.364 436 N N 2.601 121.342 118.700 0.068 0.000 3.254 436 N HA 0.155 4.896 4.740 0.003 0.000 0.308 436 N C -0.813 174.688 175.510 -0.015 0.000 1.281 436 N CA 0.186 53.294 53.050 0.097 0.000 1.212 436 N CB -0.577 37.932 38.487 0.038 0.000 1.478 436 N HN 0.442 nan 8.380 nan 0.000 0.548 437 N N 0.277 118.952 118.700 -0.042 0.000 2.516 437 N HA 0.078 4.820 4.740 0.003 0.000 0.268 437 N C 0.505 175.958 175.510 -0.094 0.000 1.096 437 N CA -0.351 52.642 53.050 -0.095 0.000 0.954 437 N CB 1.137 39.535 38.487 -0.149 0.000 1.676 437 N HN 0.377 nan 8.380 nan 0.000 0.490 438 R N 2.006 122.442 120.500 -0.107 0.000 2.285 438 R HA 0.056 4.397 4.340 0.003 0.000 0.213 438 R C 0.599 176.827 176.300 -0.119 0.000 1.068 438 R CA 0.846 56.883 56.100 -0.106 0.000 1.004 438 R CB 0.010 30.221 30.300 -0.147 0.000 0.873 438 R HN 0.415 nan 8.270 nan 0.000 0.467 439 R N 0.692 121.110 120.500 -0.137 0.000 2.297 439 R HA 0.264 4.605 4.340 0.003 0.000 0.197 439 R C 0.226 176.481 176.300 -0.075 0.000 0.943 439 R CA 0.194 56.235 56.100 -0.100 0.000 1.038 439 R CB 0.195 30.443 30.300 -0.087 0.000 0.957 439 R HN 0.197 nan 8.270 nan 0.000 0.484 440 I N 2.317 122.808 120.570 -0.132 0.000 2.301 440 I HA 0.068 4.239 4.170 0.003 0.000 0.292 440 I C -0.154 175.927 176.117 -0.060 0.000 1.046 440 I CA -0.607 60.598 61.300 -0.159 0.000 1.282 440 I CB 1.059 38.804 38.000 -0.425 0.000 1.409 440 I HN -0.083 nan 8.210 nan 0.000 0.484 441 E N 4.449 124.666 120.200 0.028 0.000 2.467 441 E HA -0.076 4.276 4.350 0.003 0.000 0.264 441 E C 0.619 177.248 176.600 0.048 0.000 1.020 441 E CA 0.192 56.624 56.400 0.055 0.000 0.945 441 E CB 0.429 30.178 29.700 0.082 0.000 0.942 441 E HN 0.407 nan 8.360 nan 0.000 0.449 442 D N 0.681 121.106 120.400 0.042 0.000 2.123 442 D HA -0.130 4.511 4.640 0.003 0.000 0.196 442 D C 0.393 176.729 176.300 0.060 0.000 0.992 442 D CA 0.956 54.963 54.000 0.012 0.000 0.833 442 D CB 0.001 40.824 40.800 0.038 0.000 0.954 442 D HN 0.147 nan 8.370 nan 0.000 0.455 443 L N 0.632 121.929 121.223 0.122 0.000 2.265 443 L HA 0.313 4.655 4.340 0.003 0.000 0.288 443 L C -0.821 176.164 176.870 0.192 0.000 1.058 443 L CA -0.365 54.563 54.840 0.148 0.000 0.809 443 L CB 0.909 43.058 42.059 0.149 0.000 1.179 443 L HN -0.093 nan 8.230 nan 0.000 0.429 444 H N 3.882 123.032 119.070 0.135 0.000 2.622 444 H HA 0.711 5.269 4.556 0.003 0.000 0.363 444 H C -1.405 174.043 175.328 0.199 0.000 1.151 444 H CA -0.631 55.518 56.048 0.168 0.000 1.184 444 H CB 1.511 31.396 29.762 0.204 0.000 1.643 444 H HN 0.615 nan 8.280 nan 0.000 0.531 445 L N 5.002 126.107 121.223 -0.197 0.000 2.325 445 L HA 0.339 4.681 4.340 0.003 0.000 0.281 445 L C -0.640 176.308 176.870 0.130 0.000 1.004 445 L CA -0.653 54.222 54.840 0.057 0.000 0.823 445 L CB 1.644 43.651 42.059 -0.086 0.000 1.236 445 L HN 0.403 nan 8.230 nan 0.000 0.415 446 L N 4.321 125.773 121.223 0.381 0.000 2.315 446 L HA 0.375 4.717 4.340 0.003 0.000 0.283 446 L C -0.288 176.784 176.870 0.337 0.000 1.089 446 L CA -0.381 54.666 54.840 0.345 0.000 0.833 446 L CB 1.544 43.776 42.059 0.287 0.000 1.170 446 L HN 0.361 nan 8.230 nan 0.000 0.442 447 V N 3.927 124.058 119.914 0.361 0.000 2.539 447 V HA 0.186 4.308 4.120 0.003 0.000 0.292 447 V C 0.354 176.702 176.094 0.423 0.000 1.045 447 V CA -0.788 61.766 62.300 0.422 0.000 0.945 447 V CB 1.793 33.882 31.823 0.443 0.000 0.993 447 V HN 0.700 nan 8.190 nan 0.000 0.464 448 E N 4.378 124.762 120.200 0.307 0.000 2.392 448 E HA 0.142 4.494 4.350 0.003 0.000 0.264 448 E C 0.432 177.010 176.600 -0.037 0.000 1.024 448 E CA -0.655 55.830 56.400 0.142 0.000 0.903 448 E CB 0.601 30.361 29.700 0.100 0.000 0.963 448 E HN 0.685 nan 8.360 nan 0.000 0.432 449 R N 3.776 124.033 120.500 -0.404 0.000 2.697 449 R HA -0.019 4.322 4.340 0.003 0.000 0.265 449 R C 0.002 176.049 176.300 -0.420 0.000 1.009 449 R CA 0.489 55.955 56.100 -1.057 0.000 1.099 449 R CB 0.393 30.325 30.300 -0.612 0.000 0.965 449 R HN 0.863 nan 8.270 nan 0.000 0.428 450 R N -1.015 119.215 120.500 -0.450 0.000 3.840 450 R HA -0.172 4.169 4.340 0.003 0.000 0.464 450 R C -1.058 175.179 176.300 -0.105 0.000 0.986 450 R CA 1.696 57.738 56.100 -0.097 0.000 1.305 450 R CB -1.741 28.512 30.300 -0.077 0.000 1.950 450 R HN 0.696 nan 8.270 nan 0.000 0.526 451 W N 0.042 121.385 121.300 0.072 0.000 2.736 451 W HA 0.560 5.222 4.660 0.003 0.000 0.355 451 W C 0.715 177.391 176.519 0.262 0.000 1.102 451 W CA -0.444 56.973 57.345 0.120 0.000 1.164 451 W CB 0.824 30.344 29.460 0.099 0.000 1.422 451 W HN -0.008 nan 8.180 nan 0.000 0.572 452 H N -0.354 118.918 119.070 0.337 0.000 2.621 452 H HA 0.670 5.227 4.556 0.003 0.000 0.360 452 H C -1.034 174.365 175.328 0.119 0.000 1.163 452 H CA -1.125 55.016 56.048 0.155 0.000 1.194 452 H CB 2.131 31.909 29.762 0.027 0.000 1.649 452 H HN 0.004 nan 8.280 nan 0.000 0.532 453 V N 1.802 121.770 119.914 0.089 0.000 2.495 453 V HA 0.642 4.764 4.120 0.003 0.000 0.298 453 V C -0.391 175.593 176.094 -0.183 0.000 1.031 453 V CA -0.484 61.746 62.300 -0.117 0.000 0.871 453 V CB 1.272 32.921 31.823 -0.290 0.000 0.988 453 V HN 0.881 nan 8.190 nan 0.000 0.432 454 A N 3.999 126.699 122.820 -0.200 0.000 2.479 454 A HA 0.727 5.048 4.320 0.003 0.000 0.296 454 A C 0.706 178.325 177.584 0.058 0.000 1.121 454 A CA -0.667 51.323 52.037 -0.078 0.000 0.743 454 A CB 1.610 20.608 19.000 -0.005 0.000 1.323 454 A HN 0.776 nan 8.150 nan 0.000 0.415 455 R N -0.058 120.498 120.500 0.092 0.000 2.073 455 R HA -0.006 4.335 4.340 0.003 0.000 0.229 455 R C 0.172 176.599 176.300 0.213 0.000 1.120 455 R CA 2.024 58.184 56.100 0.101 0.000 0.967 455 R CB -0.103 30.225 30.300 0.046 0.000 0.862 455 R HN 0.757 nan 8.270 nan 0.000 0.436 456 K N -2.853 117.720 120.400 0.288 0.000 2.625 456 K HA 0.258 4.579 4.320 0.003 0.000 0.284 456 K C -2.697 173.871 176.600 -0.054 0.000 0.984 456 K CA -1.419 54.961 56.287 0.156 0.000 0.865 456 K CB 1.769 34.287 32.500 0.030 0.000 1.468 456 K HN -0.317 nan 8.250 nan 0.000 0.407 457 P HA -0.161 nan 4.420 nan 0.000 0.218 457 P C 1.184 178.351 177.300 -0.220 0.000 1.148 457 P CA 1.672 64.292 63.100 -0.800 0.000 0.822 457 P CB -0.287 30.954 31.700 -0.764 0.000 0.784 469 F N 1.321 121.180 119.950 -0.151 0.000 2.811 469 F HA 0.309 4.837 4.527 0.003 0.000 0.301 469 F C 0.762 176.547 175.800 -0.025 0.000 1.151 469 F CA 0.042 57.999 58.000 -0.071 0.000 1.412 469 F CB 0.046 39.047 39.000 0.002 0.000 1.113 469 F HN 0.562 nan 8.300 nan 0.000 0.579 470 F N -1.099 118.907 119.950 0.094 0.000 2.576 470 F HA 0.526 5.055 4.527 0.002 0.000 0.313 470 F C -0.014 175.790 175.800 0.008 0.000 1.078 470 F CA -1.105 56.911 58.000 0.027 0.000 0.921 470 F CB 1.131 40.165 39.000 0.057 0.000 1.232 470 F HN -0.223 nan 8.300 nan 0.000 0.459 471 Q N 1.704 121.612 119.800 0.180 0.000 2.113 471 Q HA 0.362 4.703 4.340 0.003 0.000 0.225 471 Q C 0.023 176.126 176.000 0.172 0.000 0.786 471 Q CA -0.129 55.729 55.803 0.092 0.000 0.989 471 Q CB 2.088 30.849 28.738 0.039 0.000 1.174 471 Q HN 1.010 nan 8.270 nan 0.000 0.470 472 G N -0.094 108.851 108.800 0.241 0.000 2.620 472 G HA2 0.568 4.529 3.960 0.003 0.000 0.301 472 G HA3 0.568 4.529 3.960 0.003 0.000 0.301 472 G C -1.670 173.315 174.900 0.142 0.000 1.347 472 G CA -0.031 45.149 45.100 0.133 0.000 0.971 472 G HN -0.089 nan 8.290 nan 0.000 0.488 473 D N -1.147 119.302 120.400 0.081 0.000 2.692 473 D HA 0.567 5.209 4.640 0.003 0.000 0.303 473 D C -0.914 175.409 176.300 0.038 0.000 1.278 473 D CA -0.345 53.667 54.000 0.020 0.000 0.852 473 D CB 2.020 42.817 40.800 -0.005 0.000 1.375 473 D HN 0.734 nan 8.370 nan 0.000 0.453 474 H N -2.464 116.536 119.070 -0.116 0.000 2.981 474 H HA 0.668 5.226 4.556 0.003 0.000 0.327 474 H C 0.334 175.422 175.328 -0.400 0.000 1.342 474 H CA -0.370 55.565 56.048 -0.188 0.000 1.123 474 H CB 1.542 31.193 29.762 -0.184 0.000 1.851 474 H HN 0.629 nan 8.280 nan 0.000 0.531 475 G N -0.744 107.894 108.800 -0.271 0.000 2.738 475 G HA2 -0.140 3.822 3.960 0.003 0.000 0.195 475 G HA3 -0.140 3.822 3.960 0.003 0.000 0.195 475 G C -0.432 174.357 174.900 -0.186 0.000 1.001 475 G CA -0.408 44.492 45.100 -0.334 0.000 0.759 475 G HN 0.431 nan 8.290 nan 0.000 0.494 476 F N 2.325 122.351 119.950 0.127 0.000 2.535 476 F HA 0.421 4.950 4.527 0.002 0.000 0.332 476 F C 1.136 177.130 175.800 0.323 0.000 1.208 476 F CA -0.243 57.891 58.000 0.224 0.000 1.330 476 F CB 0.252 39.344 39.000 0.153 0.000 1.167 476 F HN 0.010 nan 8.300 nan 0.000 0.597 477 D N 2.115 122.798 120.400 0.471 0.000 3.139 477 D HA -0.203 4.439 4.640 0.003 0.000 0.212 477 D C 1.026 177.450 176.300 0.207 0.000 1.084 477 D CA 0.198 54.289 54.000 0.150 0.000 0.777 477 D CB 0.192 41.006 40.800 0.024 0.000 1.156 477 D HN 0.619 nan 8.370 nan 0.000 0.537 478 N N 3.394 122.210 118.700 0.193 0.000 2.571 478 N HA -0.195 4.547 4.740 0.003 0.000 0.189 478 N C 1.126 176.696 175.510 0.100 0.000 1.154 478 N CA 0.633 53.788 53.050 0.175 0.000 0.907 478 N CB -0.225 38.379 38.487 0.195 0.000 0.977 478 N HN 0.641 nan 8.380 nan 0.000 0.449 479 K N -0.552 119.882 120.400 0.056 0.000 2.393 479 K HA 0.168 4.489 4.320 0.003 0.000 0.193 479 K C -0.103 176.500 176.600 0.006 0.000 1.026 479 K CA -0.284 56.018 56.287 0.025 0.000 1.064 479 K CB 0.292 32.797 32.500 0.008 0.000 0.833 479 K HN -0.120 nan 8.250 nan 0.000 0.521 480 V N 3.619 123.553 119.914 0.032 0.000 2.529 480 V HA -0.083 4.039 4.120 0.003 0.000 0.292 480 V C 0.872 176.950 176.094 -0.027 0.000 1.028 480 V CA -0.114 62.193 62.300 0.012 0.000 1.074 480 V CB 0.606 32.459 31.823 0.050 0.000 0.958 480 V HN 0.394 nan 8.190 nan 0.000 0.481 481 N N 3.468 122.126 118.700 -0.071 0.000 2.091 481 N HA -0.180 4.562 4.740 0.003 0.000 0.193 481 N C 2.120 177.568 175.510 -0.102 0.000 1.021 481 N CA 1.895 54.863 53.050 -0.135 0.000 0.862 481 N CB -0.302 38.118 38.487 -0.113 0.000 1.018 481 N HN 0.883 nan 8.380 nan 0.000 0.429 482 S N -0.515 115.165 115.700 -0.034 0.000 2.469 482 S HA -0.027 4.445 4.470 0.003 0.000 0.238 482 S C 1.634 176.238 174.600 0.007 0.000 0.998 482 S CA 0.702 58.891 58.200 -0.020 0.000 0.957 482 S CB -0.092 63.123 63.200 0.023 0.000 0.764 482 S HN 0.141 nan 8.310 nan 0.000 0.514 483 M N 0.882 120.514 119.600 0.053 0.000 2.556 483 M HA 0.270 4.751 4.480 0.003 0.000 0.245 483 M C 0.311 176.653 176.300 0.070 0.000 1.128 483 M CA 0.391 55.758 55.300 0.112 0.000 1.069 483 M CB -0.864 31.844 32.600 0.180 0.000 1.469 483 M HN 0.315 nan 8.290 nan 0.000 0.494 484 Q N 0.492 120.283 119.800 -0.014 0.000 2.421 484 Q HA 0.187 4.528 4.340 0.003 0.000 0.255 484 Q C 0.503 176.528 176.000 0.041 0.000 1.013 484 Q CA 0.519 56.321 55.803 -0.001 0.000 0.895 484 Q CB 0.950 29.575 28.738 -0.187 0.000 1.271 484 Q HN 0.133 nan 8.270 nan 0.000 0.460 485 T N -0.868 113.748 114.554 0.104 0.000 2.645 485 T HA 0.656 5.007 4.350 0.003 0.000 0.273 485 T C -0.910 173.884 174.700 0.157 0.000 0.960 485 T CA -0.467 61.700 62.100 0.111 0.000 1.051 485 T CB 1.183 70.096 68.868 0.074 0.000 1.366 485 T HN 0.422 nan 8.240 nan 0.000 0.536 486 V N 0.612 120.614 119.914 0.146 0.000 2.732 486 V HA 0.917 5.039 4.120 0.003 0.000 0.310 486 V C -1.059 175.131 176.094 0.160 0.000 1.053 486 V CA -0.883 61.508 62.300 0.152 0.000 0.957 486 V CB 1.295 33.180 31.823 0.103 0.000 1.018 486 V HN 0.747 nan 8.190 nan 0.000 0.452 487 F N 2.933 122.915 119.950 0.053 0.000 2.573 487 F HA 0.815 5.344 4.527 0.003 0.000 0.316 487 F C -1.272 174.611 175.800 0.137 0.000 1.148 487 F CA -0.540 57.511 58.000 0.085 0.000 0.940 487 F CB 1.918 40.970 39.000 0.087 0.000 1.214 487 F HN 0.524 nan 8.300 nan 0.000 0.448 488 V N 4.609 123.984 119.914 -0.898 0.000 2.760 488 V HA 0.822 4.943 4.120 0.003 0.000 0.309 488 V C -0.178 175.215 176.094 -1.169 0.000 1.077 488 V CA -0.631 61.196 62.300 -0.789 0.000 0.910 488 V CB 1.852 33.500 31.823 -0.291 0.000 1.008 488 V HN 1.039 nan 8.190 nan 0.000 0.424 489 G N 2.410 110.544 108.800 -1.109 0.000 2.470 489 G HA2 0.635 4.597 3.960 0.003 0.000 0.320 489 G HA3 0.635 4.597 3.960 0.003 0.000 0.320 489 G C -1.920 172.528 174.900 -0.753 0.000 1.245 489 G CA -0.490 43.702 45.100 -1.513 0.000 0.935 489 G HN 0.656 nan 8.290 nan 0.000 0.476 490 Y N 1.747 121.816 120.300 -0.386 0.000 2.421 490 Y HA 0.663 5.214 4.550 0.001 0.000 0.339 490 Y C 0.253 176.309 175.900 0.260 0.000 0.996 490 Y CA 0.370 58.484 58.100 0.023 0.000 1.046 490 Y CB 2.029 40.485 38.460 -0.008 0.000 1.226 490 Y HN 1.227 nan 8.280 nan 0.000 0.445 491 G N 5.194 113.926 108.800 -0.114 0.000 2.369 491 G HA2 0.008 3.970 3.960 0.003 0.000 0.295 491 G HA3 0.008 3.970 3.960 0.003 0.000 0.295 491 G C -2.756 172.134 174.900 -0.017 0.000 1.298 491 G CA -0.472 44.593 45.100 -0.057 0.000 0.940 491 G HN 0.333 nan 8.290 nan 0.000 0.536 492 P HA -0.028 nan 4.420 nan 0.000 0.218 492 P C 1.478 178.759 177.300 -0.031 0.000 1.148 492 P CA 2.241 65.320 63.100 -0.034 0.000 0.822 492 P CB -0.036 31.645 31.700 -0.032 0.000 0.784 493 T N -1.593 112.921 114.554 -0.066 0.000 3.054 493 T HA 0.098 4.450 4.350 0.003 0.000 0.259 493 T C 0.694 175.247 174.700 -0.245 0.000 1.092 493 T CA 0.321 62.314 62.100 -0.178 0.000 1.121 493 T CB -0.399 68.306 68.868 -0.271 0.000 0.912 493 T HN -0.031 nan 8.240 nan 0.000 0.489 494 F N 1.599 121.570 119.950 0.034 0.000 2.378 494 F HA 0.375 4.902 4.527 0.000 0.000 0.319 494 F C 1.040 176.873 175.800 0.054 0.000 1.155 494 F CA -0.995 57.040 58.000 0.059 0.000 1.157 494 F CB 0.729 39.780 39.000 0.085 0.000 1.252 494 F HN -0.326 nan 8.300 nan 0.000 0.550 495 K N 0.320 120.907 120.400 0.312 0.000 2.138 495 K HA 0.122 4.443 4.320 0.003 0.000 0.251 495 K C -1.205 175.540 176.600 0.243 0.000 1.015 495 K CA -0.413 56.008 56.287 0.222 0.000 0.917 495 K CB 0.619 33.231 32.500 0.186 0.000 1.021 495 K HN 0.577 nan 8.250 nan 0.000 0.485 496 Y N 0.797 121.143 120.300 0.077 0.000 2.330 496 Y HA 0.148 4.697 4.550 -0.002 0.000 0.336 496 Y C -0.126 175.822 175.900 0.080 0.000 1.036 496 Y CA -0.448 57.686 58.100 0.058 0.000 1.125 496 Y CB 0.886 39.363 38.460 0.029 0.000 1.194 496 Y HN 0.590 nan 8.280 nan 0.000 0.469 497 R N 2.965 123.227 120.500 -0.397 0.000 3.225 497 R HA -0.171 4.170 4.340 0.003 0.000 0.245 497 R C -1.043 175.221 176.300 -0.060 0.000 0.928 497 R CA 1.138 57.048 56.100 -0.316 0.000 0.632 497 R CB -1.949 28.002 30.300 -0.581 0.000 1.038 497 R HN 0.663 nan 8.270 nan 0.000 0.461 498 T N 0.333 114.918 114.554 0.052 0.000 2.848 498 T HA 0.370 4.722 4.350 0.003 0.000 0.285 498 T C -0.270 174.482 174.700 0.087 0.000 0.995 498 T CA -0.797 61.354 62.100 0.084 0.000 0.970 498 T CB 2.274 71.209 68.868 0.112 0.000 0.976 498 T HN 0.191 nan 8.240 nan 0.000 0.441 499 K N 2.678 123.087 120.400 0.014 0.000 2.159 499 K HA 0.726 5.048 4.320 0.003 0.000 0.266 499 K C -0.466 176.098 176.600 -0.060 0.000 0.975 499 K CA -0.706 55.462 56.287 -0.199 0.000 0.865 499 K CB 0.890 33.269 32.500 -0.203 0.000 1.087 499 K HN 0.474 nan 8.250 nan 0.000 0.446 500 V N 0.740 120.627 119.914 -0.045 0.000 2.960 500 V HA 0.678 4.799 4.120 0.003 0.000 0.315 500 V C -2.732 173.414 176.094 0.087 0.000 1.087 500 V CA -2.743 59.630 62.300 0.121 0.000 0.982 500 V CB 1.221 33.192 31.823 0.247 0.000 1.039 500 V HN 0.721 nan 8.190 nan 0.000 0.437 501 P HA 0.337 nan 4.420 nan 0.000 0.272 501 P C -2.735 174.606 177.300 0.068 0.000 1.240 501 P CA -1.201 61.933 63.100 0.057 0.000 0.791 501 P CB -0.463 31.279 31.700 0.069 0.000 0.978 502 P HA 0.119 nan 4.420 nan 0.000 0.269 502 P C -0.821 176.463 177.300 -0.027 0.000 1.215 502 P CA 0.511 63.402 63.100 -0.350 0.000 0.780 502 P CB 0.096 31.217 31.700 -0.966 0.000 0.898 503 F N -2.167 117.725 119.950 -0.097 0.000 2.715 503 F HA 0.608 5.136 4.527 0.002 0.000 0.318 503 F C -0.673 175.123 175.800 -0.007 0.000 1.141 503 F CA -1.339 56.639 58.000 -0.037 0.000 0.950 503 F CB 1.058 40.023 39.000 -0.059 0.000 1.374 503 F HN 0.140 nan 8.300 nan 0.000 0.477 504 E N 0.867 121.227 120.200 0.267 0.000 2.242 504 E HA 0.163 4.515 4.350 0.003 0.000 0.275 504 E C 0.098 176.833 176.600 0.225 0.000 1.002 504 E CA -0.549 55.948 56.400 0.162 0.000 0.841 504 E CB 1.136 30.937 29.700 0.168 0.000 1.109 504 E HN 0.707 nan 8.360 nan 0.000 0.394 505 N N 3.092 121.871 118.700 0.132 0.000 2.453 505 N HA -0.170 4.572 4.740 0.003 0.000 0.183 505 N C 1.587 177.174 175.510 0.129 0.000 1.041 505 N CA 1.048 54.189 53.050 0.152 0.000 0.900 505 N CB -0.588 37.977 38.487 0.130 0.000 0.961 505 N HN 0.655 nan 8.380 nan 0.000 0.443 506 I N -2.420 118.196 120.570 0.078 0.000 2.700 506 I HA -0.013 4.158 4.170 0.003 0.000 0.261 506 I C 1.086 177.191 176.117 -0.020 0.000 1.219 506 I CA 1.188 62.469 61.300 -0.031 0.000 1.463 506 I CB -0.186 37.708 38.000 -0.178 0.000 1.092 506 I HN -0.132 nan 8.210 nan 0.000 0.452 507 E N 1.390 121.616 120.200 0.043 0.000 2.371 507 E HA 0.062 4.414 4.350 0.003 0.000 0.194 507 E C 2.263 178.827 176.600 -0.060 0.000 1.012 507 E CA 0.572 56.957 56.400 -0.025 0.000 0.860 507 E CB 0.023 29.699 29.700 -0.039 0.000 0.811 507 E HN 0.604 nan 8.360 nan 0.000 0.502 508 L N 0.001 121.243 121.223 0.032 0.000 2.156 508 L HA -0.143 4.199 4.340 0.003 0.000 0.208 508 L C 2.454 179.349 176.870 0.041 0.000 1.095 508 L CA 0.842 55.704 54.840 0.038 0.000 0.770 508 L CB -0.372 41.783 42.059 0.159 0.000 0.914 508 L HN 0.139 nan 8.230 nan 0.000 0.439 509 Y N 1.220 121.470 120.300 -0.082 0.000 2.128 509 Y HA -0.332 4.219 4.550 0.003 0.000 0.284 509 Y C 2.475 178.259 175.900 -0.193 0.000 1.154 509 Y CA 1.897 59.925 58.100 -0.121 0.000 1.149 509 Y CB -0.147 38.212 38.460 -0.168 0.000 0.976 509 Y HN 0.229 nan 8.280 nan 0.000 0.505 510 N N 0.088 118.613 118.700 -0.292 0.000 2.104 510 N HA -0.191 4.551 4.740 0.003 0.000 0.190 510 N C 1.899 177.140 175.510 -0.447 0.000 1.024 510 N CA 1.823 54.504 53.050 -0.615 0.000 0.853 510 N CB -0.639 37.347 38.487 -0.836 0.000 1.008 510 N HN 0.343 nan 8.380 nan 0.000 0.424 511 V N 1.405 121.169 119.914 -0.250 0.000 2.453 511 V HA -0.118 4.003 4.120 0.003 0.000 0.247 511 V C 2.287 178.330 176.094 -0.084 0.000 1.048 511 V CA 1.152 63.375 62.300 -0.128 0.000 1.049 511 V CB -0.352 31.413 31.823 -0.098 0.000 0.672 511 V HN 0.280 nan 8.190 nan 0.000 0.457 512 M N -1.315 118.239 119.600 -0.078 0.000 2.175 512 M HA -0.182 4.300 4.480 0.003 0.000 0.264 512 M C 2.400 178.629 176.300 -0.119 0.000 1.063 512 M CA 1.546 56.831 55.300 -0.025 0.000 1.119 512 M CB -0.692 31.935 32.600 0.045 0.000 1.377 512 M HN 0.399 nan 8.290 nan 0.000 0.415 513 C N 0.789 119.917 119.300 -0.287 0.000 2.432 513 C HA -0.156 4.305 4.460 0.003 0.000 0.277 513 C C 2.285 177.192 174.990 -0.138 0.000 1.249 513 C CA 0.912 59.755 59.018 -0.291 0.000 1.725 513 C CB -0.985 26.463 27.740 -0.487 0.000 2.028 513 C HN 0.544 nan 8.230 nan 0.000 0.477 514 D N 0.920 121.260 120.400 -0.100 0.000 2.116 514 D HA -0.126 4.516 4.640 0.003 0.000 0.193 514 D C 1.937 178.217 176.300 -0.034 0.000 0.998 514 D CA 1.237 55.229 54.000 -0.013 0.000 0.836 514 D CB -0.560 40.259 40.800 0.032 0.000 0.951 514 D HN 0.449 nan 8.370 nan 0.000 0.449 515 L N -0.102 121.089 121.223 -0.054 0.000 2.265 515 L HA -0.100 4.242 4.340 0.003 0.000 0.215 515 L C 1.922 178.789 176.870 -0.005 0.000 1.117 515 L CA 0.550 55.361 54.840 -0.048 0.000 0.782 515 L CB -0.088 41.950 42.059 -0.034 0.000 0.914 515 L HN 0.007 nan 8.230 nan 0.000 0.441 516 L N -1.159 120.059 121.223 -0.008 0.000 2.808 516 L HA 0.314 4.656 4.340 0.003 0.000 0.246 516 L C 1.290 178.158 176.870 -0.004 0.000 1.153 516 L CA 0.182 55.027 54.840 0.008 0.000 0.956 516 L CB 0.320 42.384 42.059 0.009 0.000 1.270 516 L HN 0.282 nan 8.230 nan 0.000 0.528 517 G N 1.091 109.886 108.800 -0.009 0.000 2.198 517 G HA2 -0.274 3.688 3.960 0.003 0.000 0.260 517 G HA3 -0.274 3.688 3.960 0.003 0.000 0.260 517 G C 0.043 174.936 174.900 -0.012 0.000 1.025 517 G CA 0.124 45.223 45.100 -0.002 0.000 0.769 517 G HN 0.239 nan 8.290 nan 0.000 0.507 518 L N -0.657 120.541 121.223 -0.041 0.000 2.360 518 L HA 0.512 4.853 4.340 0.003 0.000 0.271 518 L C 0.747 177.580 176.870 -0.063 0.000 1.057 518 L CA -0.907 53.895 54.840 -0.064 0.000 0.803 518 L CB 1.271 43.260 42.059 -0.116 0.000 1.207 518 L HN -0.015 nan 8.230 nan 0.000 0.445 519 K N 3.375 123.748 120.400 -0.046 0.000 2.262 519 K HA 0.308 4.630 4.320 0.003 0.000 0.282 519 K C -2.321 174.233 176.600 -0.076 0.000 1.066 519 K CA -1.627 54.644 56.287 -0.027 0.000 0.901 519 K CB 0.813 33.320 32.500 0.010 0.000 1.089 519 K HN 0.271 nan 8.250 nan 0.000 0.476 520 P HA 0.032 nan 4.420 nan 0.000 0.275 520 P C -0.583 176.741 177.300 0.040 0.000 1.227 520 P CA -0.333 62.688 63.100 -0.132 0.000 0.781 520 P CB 0.928 32.460 31.700 -0.280 0.000 0.906 521 A N 5.054 127.968 122.820 0.158 0.000 2.448 521 A HA 0.341 4.663 4.320 0.003 0.000 0.239 521 A C -2.008 175.590 177.584 0.022 0.000 1.080 521 A CA -1.103 50.967 52.037 0.055 0.000 0.779 521 A CB -1.599 17.394 19.000 -0.011 0.000 1.026 521 A HN 0.421 nan 8.150 nan 0.000 0.499 522 P HA 0.140 nan 4.420 nan 0.000 0.263 522 P C -0.652 176.583 177.300 -0.108 0.000 1.195 522 P CA 0.487 63.557 63.100 -0.050 0.000 0.762 522 P CB 0.214 31.886 31.700 -0.047 0.000 0.799 523 N N 0.997 119.630 118.700 -0.113 0.000 3.204 523 N HA 0.268 5.010 4.740 0.003 0.000 0.285 523 N C -0.312 175.084 175.510 -0.190 0.000 1.536 523 N CA -0.897 52.038 53.050 -0.191 0.000 0.832 523 N CB 0.495 38.838 38.487 -0.240 0.000 1.645 523 N HN -0.033 nan 8.380 nan 0.000 0.586 524 N N -1.823 116.704 118.700 -0.288 0.000 2.299 524 N HA 0.199 4.941 4.740 0.003 0.000 0.187 524 N C 0.533 175.914 175.510 -0.215 0.000 1.099 524 N CA -0.085 52.765 53.050 -0.333 0.000 0.867 524 N CB 0.385 38.397 38.487 -0.791 0.000 0.974 524 N HN 0.596 nan 8.380 nan 0.000 0.477 525 G N -0.061 108.636 108.800 -0.171 0.000 2.699 525 G HA2 0.144 4.105 3.960 0.003 0.000 0.246 525 G HA3 0.144 4.105 3.960 0.003 0.000 0.246 525 G C -0.407 174.469 174.900 -0.041 0.000 1.219 525 G CA -0.038 45.004 45.100 -0.097 0.000 0.866 525 G HN 0.012 nan 8.290 nan 0.000 0.572 526 T N 0.256 114.800 114.554 -0.016 0.000 2.912 526 T HA 0.226 4.578 4.350 0.003 0.000 0.326 526 T C -0.256 174.459 174.700 0.025 0.000 1.080 526 T CA -0.238 61.875 62.100 0.022 0.000 1.000 526 T CB 0.305 69.193 68.868 0.033 0.000 1.008 526 T HN 0.584 nan 8.240 nan 0.000 0.473 527 H N 1.717 120.715 119.070 -0.119 0.000 2.899 527 H HA 0.422 4.979 4.556 0.002 0.000 0.303 527 H C 1.357 176.662 175.328 -0.038 0.000 1.042 527 H CA 0.960 56.870 56.048 -0.230 0.000 1.479 527 H CB 0.159 29.562 29.762 -0.597 0.000 1.493 527 H HN 0.981 nan 8.280 nan 0.000 0.534 528 G N 2.355 111.277 108.800 0.203 0.000 2.352 528 G HA2 -0.371 3.590 3.960 0.003 0.000 0.204 528 G HA3 -0.371 3.590 3.960 0.003 0.000 0.204 528 G C 1.392 176.311 174.900 0.031 0.000 1.004 528 G CA 0.348 45.521 45.100 0.123 0.000 0.648 528 G HN 0.669 nan 8.290 nan 0.000 0.491 529 S N 0.223 115.928 115.700 0.008 0.000 2.442 529 S HA 0.183 4.655 4.470 0.003 0.000 0.236 529 S C 1.805 176.419 174.600 0.024 0.000 1.007 529 S CA 1.405 59.612 58.200 0.012 0.000 0.965 529 S CB -0.185 63.019 63.200 0.007 0.000 0.773 529 S HN 0.589 nan 8.310 nan 0.000 0.504 530 L N 0.954 122.115 121.223 -0.103 0.000 2.910 530 L HA 0.349 4.690 4.340 0.003 0.000 0.252 530 L C 1.184 177.875 176.870 -0.299 0.000 1.195 530 L CA -0.284 54.344 54.840 -0.353 0.000 1.003 530 L CB -0.286 41.470 42.059 -0.504 0.000 1.328 530 L HN 0.140 nan 8.230 nan 0.000 0.540 531 N N 0.787 119.441 118.700 -0.075 0.000 2.272 531 N HA -0.201 4.541 4.740 0.003 0.000 0.185 531 N C 1.805 177.298 175.510 -0.029 0.000 1.014 531 N CA 1.236 54.272 53.050 -0.024 0.000 0.870 531 N CB -0.183 38.326 38.487 0.037 0.000 0.975 531 N HN 0.553 nan 8.380 nan 0.000 0.433 532 H N -1.043 118.015 119.070 -0.019 0.000 2.561 532 H HA 0.036 4.594 4.556 0.002 0.000 0.278 532 H C 1.254 176.604 175.328 0.037 0.000 1.014 532 H CA 0.353 56.403 56.048 0.003 0.000 1.211 532 H CB -0.213 29.544 29.762 -0.008 0.000 1.365 532 H HN 0.104 nan 8.280 nan 0.000 0.594 533 L N 0.646 121.714 121.223 -0.258 0.000 2.509 533 L HA 0.185 4.527 4.340 0.003 0.000 0.222 533 L C 0.694 177.647 176.870 0.140 0.000 1.123 533 L CA 0.551 55.381 54.840 -0.017 0.000 0.856 533 L CB 0.012 42.065 42.059 -0.010 0.000 0.985 533 L HN 0.166 nan 8.230 nan 0.000 0.456 534 L N -1.131 120.109 121.223 0.028 0.000 2.329 534 L HA 0.387 4.729 4.340 0.003 0.000 0.279 534 L C 1.418 178.293 176.870 0.009 0.000 1.014 534 L CA -0.406 54.423 54.840 -0.018 0.000 0.814 534 L CB 2.035 44.040 42.059 -0.090 0.000 1.257 534 L HN -0.049 nan 8.230 nan 0.000 0.424 535 R N 0.788 121.289 120.500 0.002 0.000 2.093 535 R HA 0.022 4.363 4.340 0.003 0.000 0.224 535 R C 0.483 176.776 176.300 -0.012 0.000 1.101 535 R CA 1.138 57.245 56.100 0.011 0.000 0.979 535 R CB 0.424 30.734 30.300 0.016 0.000 0.877 535 R HN 0.715 nan 8.270 nan 0.000 0.441 536 T N -1.762 112.768 114.554 -0.039 0.000 2.754 536 T HA 0.258 4.610 4.350 0.003 0.000 0.296 536 T C -1.210 173.459 174.700 -0.052 0.000 1.205 536 T CA -0.263 61.815 62.100 -0.037 0.000 1.009 536 T CB 1.505 70.353 68.868 -0.033 0.000 1.368 536 T HN 0.409 nan 8.240 nan 0.000 0.509 537 N N 0.604 119.283 118.700 -0.035 0.000 2.850 537 N HA -0.131 4.611 4.740 0.003 0.000 0.249 537 N C 0.011 175.519 175.510 -0.003 0.000 1.060 537 N CA 1.496 54.531 53.050 -0.025 0.000 0.825 537 N CB -1.810 36.649 38.487 -0.047 0.000 1.132 537 N HN 0.934 nan 8.380 nan 0.000 0.564 538 T N -2.299 112.252 114.554 -0.005 0.000 2.855 538 T HA 0.293 4.645 4.350 0.003 0.000 0.314 538 T C 0.158 174.886 174.700 0.045 0.000 1.077 538 T CA -0.499 61.612 62.100 0.018 0.000 1.095 538 T CB 0.877 69.745 68.868 -0.000 0.000 0.987 538 T HN 0.218 nan 8.240 nan 0.000 0.546 539 F N 1.474 121.347 119.950 -0.129 0.000 2.415 539 F HA 0.460 4.989 4.527 0.002 0.000 0.348 539 F C 0.564 176.248 175.800 -0.192 0.000 1.119 539 F CA -1.413 56.443 58.000 -0.241 0.000 1.069 539 F CB 1.176 39.809 39.000 -0.612 0.000 1.124 539 F HN 0.649 nan 8.300 nan 0.000 0.472 540 R N 8.368 128.386 120.500 -0.804 0.000 2.248 540 R HA 0.324 4.665 4.340 0.003 0.000 0.337 540 R C -2.480 173.354 176.300 -0.777 0.000 1.085 540 R CA -1.670 54.088 56.100 -0.570 0.000 0.934 540 R CB 0.258 30.349 30.300 -0.349 0.000 1.034 540 R HN 0.434 nan 8.270 nan 0.000 0.465 541 P HA 0.116 nan 4.420 nan 0.000 0.276 541 P C -0.965 176.439 177.300 0.174 0.000 1.252 541 P CA -0.267 62.820 63.100 -0.023 0.000 0.802 541 P CB 1.403 33.113 31.700 0.016 0.000 1.035 542 T N -0.767 113.948 114.554 0.268 0.000 2.881 542 T HA 0.352 4.703 4.350 0.003 0.000 0.290 542 T C -0.243 174.561 174.700 0.174 0.000 1.000 542 T CA -0.952 61.241 62.100 0.154 0.000 0.978 542 T CB 0.673 69.570 68.868 0.048 0.000 0.997 542 T HN 0.119 nan 8.240 nan 0.000 0.443 543 L N 5.373 126.511 121.223 -0.143 0.000 2.540 543 L HA 0.321 4.662 4.340 0.003 0.000 0.276 543 L C -1.695 175.166 176.870 -0.015 0.000 1.212 543 L CA -1.103 53.600 54.840 -0.228 0.000 0.893 543 L CB -0.276 41.576 42.059 -0.345 0.000 1.138 543 L HN 0.604 nan 8.230 nan 0.000 0.491 544 P HA 0.086 nan 4.420 nan 0.000 0.271 544 P C -0.923 176.392 177.300 0.024 0.000 1.218 544 P CA -0.308 62.829 63.100 0.061 0.000 0.780 544 P CB 0.474 32.224 31.700 0.084 0.000 0.901 545 E N 0.762 120.980 120.200 0.030 0.000 2.289 545 E HA 0.086 4.438 4.350 0.003 0.000 0.278 545 E C 0.162 176.778 176.600 0.026 0.000 1.032 545 E CA -0.401 56.012 56.400 0.022 0.000 0.854 545 E CB 0.588 30.302 29.700 0.025 0.000 1.046 545 E HN 0.423 nan 8.360 nan 0.000 0.409 546 E N 2.305 122.518 120.200 0.023 0.000 2.415 546 E HA -0.051 4.300 4.350 0.003 0.000 0.263 546 E C 0.223 176.844 176.600 0.035 0.000 0.995 546 E CA -0.206 56.211 56.400 0.029 0.000 0.915 546 E CB 0.729 30.454 29.700 0.042 0.000 0.951 546 E HN 0.319 nan 8.360 nan 0.000 0.449 547 V N 2.748 122.680 119.914 0.029 0.000 2.575 547 V HA 0.003 4.125 4.120 0.003 0.000 0.242 547 V C 0.264 176.375 176.094 0.028 0.000 1.045 547 V CA 0.719 63.036 62.300 0.029 0.000 1.065 547 V CB 0.728 32.570 31.823 0.032 0.000 0.717 547 V HN 0.493 nan 8.190 nan 0.000 0.467 548 S N 0.419 116.137 115.700 0.030 0.000 2.498 548 S HA 0.705 5.177 4.470 0.003 0.000 0.317 548 S C 0.089 174.784 174.600 0.158 0.000 1.090 548 S CA -0.481 57.764 58.200 0.075 0.000 1.089 548 S CB 1.415 64.652 63.200 0.061 0.000 0.997 548 S HN 0.524 nan 8.310 nan 0.000 0.470 549 R N 3.493 124.037 120.500 0.073 0.000 2.404 549 R HA 0.735 5.077 4.340 0.003 0.000 0.291 549 R C -2.899 173.284 176.300 -0.195 0.000 1.025 549 R CA -1.981 54.137 56.100 0.030 0.000 0.991 549 R CB -1.089 29.239 30.300 0.046 0.000 1.053 549 R HN 0.533 nan 8.270 nan 0.000 0.479 550 P HA 0.158 nan 4.420 nan 0.000 0.274 550 P C -1.020 175.949 177.300 -0.553 0.000 1.231 550 P CA -0.613 61.922 63.100 -0.942 0.000 0.790 550 P CB 0.699 31.830 31.700 -0.949 0.000 0.951 551 N N 1.087 119.471 118.700 -0.527 0.000 2.513 551 N HA 0.145 4.886 4.740 0.003 0.000 0.274 551 N C -0.621 174.674 175.510 -0.358 0.000 1.189 551 N CA 0.131 53.032 53.050 -0.248 0.000 0.975 551 N CB 0.340 38.742 38.487 -0.143 0.000 1.157 551 N HN 0.420 nan 8.380 nan 0.000 0.465 552 Y N 0.796 121.075 120.300 -0.035 0.000 2.837 552 Y HA 0.275 4.827 4.550 0.003 0.000 0.356 552 Y C -1.659 174.259 175.900 0.029 0.000 1.035 552 Y CA -1.652 56.452 58.100 0.007 0.000 1.165 552 Y CB 0.385 38.885 38.460 0.067 0.000 1.147 552 Y HN 0.279 nan 8.280 nan 0.000 0.628 553 P HA 0.263 nan 4.420 nan 0.000 0.276 553 P C 0.420 177.784 177.300 0.107 0.000 1.235 553 P CA 0.087 63.251 63.100 0.107 0.000 0.772 553 P CB 1.864 33.623 31.700 0.099 0.000 0.871 554 G N 2.368 111.226 108.800 0.097 0.000 2.583 554 G HA2 0.459 4.420 3.960 0.003 0.000 0.280 554 G HA3 0.459 4.420 3.960 0.003 0.000 0.280 554 G C 0.000 174.948 174.900 0.080 0.000 1.376 554 G CA -1.072 44.075 45.100 0.078 0.000 1.043 554 G HN 0.504 nan 8.290 nan 0.000 0.538 555 I N 0.378 120.986 120.570 0.063 0.000 2.710 555 I HA 0.265 4.436 4.170 0.003 0.000 0.286 555 I C 1.225 177.361 176.117 0.031 0.000 1.181 555 I CA 0.777 62.123 61.300 0.075 0.000 1.430 555 I CB 1.083 39.116 38.000 0.055 0.000 1.367 555 I HN 0.588 nan 8.210 nan 0.000 0.577 556 M N 6.421 126.034 119.600 0.022 0.000 2.439 556 M HA 0.318 4.800 4.480 0.003 0.000 0.435 556 M C -0.940 174.969 176.300 -0.652 0.000 1.072 556 M CA 0.081 55.218 55.300 -0.272 0.000 0.953 556 M CB -0.329 32.081 32.600 -0.317 0.000 1.896 556 M HN 0.514 nan 8.290 nan 0.000 0.632 557 Y N -0.869 119.461 120.300 0.049 0.000 2.615 557 Y HA 0.864 5.416 4.550 0.003 0.000 0.341 557 Y C -0.533 175.420 175.900 0.090 0.000 1.089 557 Y CA -1.763 56.353 58.100 0.026 0.000 1.049 557 Y CB 1.669 40.117 38.460 -0.020 0.000 1.296 557 Y HN 0.257 nan 8.280 nan 0.000 0.470 558 L N 0.619 121.980 121.223 0.230 0.000 2.341 558 L HA 0.555 4.897 4.340 0.003 0.000 0.267 558 L C 1.263 178.303 176.870 0.284 0.000 1.009 558 L CA -0.765 54.194 54.840 0.198 0.000 0.819 558 L CB 1.574 43.694 42.059 0.101 0.000 1.323 558 L HN 0.876 nan 8.230 nan 0.000 0.425 559 Q N 1.002 120.960 119.800 0.263 0.000 2.197 559 Q HA -0.251 4.091 4.340 0.003 0.000 0.211 559 Q C 1.985 178.146 176.000 0.270 0.000 0.993 559 Q CA 2.614 58.591 55.803 0.290 0.000 0.883 559 Q CB -1.369 27.457 28.738 0.147 0.000 0.916 559 Q HN 0.904 nan 8.270 nan 0.000 0.418 560 S N 0.369 116.163 115.700 0.157 0.000 2.469 560 S HA -0.139 4.332 4.470 0.003 0.000 0.238 560 S C 1.196 175.832 174.600 0.061 0.000 0.998 560 S CA 1.115 59.373 58.200 0.096 0.000 0.957 560 S CB -0.076 63.159 63.200 0.059 0.000 0.764 560 S HN 0.703 nan 8.310 nan 0.000 0.514 561 D N 0.590 121.007 120.400 0.027 0.000 2.317 561 D HA 0.156 4.798 4.640 0.003 0.000 0.211 561 D C -0.386 175.731 176.300 -0.306 0.000 0.966 561 D CA 0.459 54.362 54.000 -0.162 0.000 0.876 561 D CB -0.097 40.558 40.800 -0.242 0.000 0.927 561 D HN 0.426 nan 8.370 nan 0.000 0.519 562 F N 0.734 120.692 119.950 0.014 0.000 2.415 562 F HA 0.227 4.756 4.527 0.003 0.000 0.348 562 F C 0.616 176.417 175.800 0.001 0.000 1.119 562 F CA -0.898 57.097 58.000 -0.008 0.000 1.069 562 F CB 1.388 40.382 39.000 -0.009 0.000 1.124 562 F HN -0.371 nan 8.300 nan 0.000 0.472 563 D N 4.454 124.946 120.400 0.155 0.000 2.517 563 D HA 0.303 4.945 4.640 0.003 0.000 0.301 563 D C 0.244 176.604 176.300 0.099 0.000 1.202 563 D CA 0.079 54.140 54.000 0.101 0.000 0.910 563 D CB 0.235 41.063 40.800 0.048 0.000 1.021 563 D HN 0.476 nan 8.370 nan 0.000 0.499 564 L N 0.276 121.570 121.223 0.119 0.000 2.590 564 L HA 0.363 4.705 4.340 0.003 0.000 0.227 564 L C 1.711 178.623 176.870 0.069 0.000 1.099 564 L CA 0.310 55.206 54.840 0.094 0.000 0.872 564 L CB 0.311 42.426 42.059 0.095 0.000 1.088 564 L HN 0.467 nan 8.230 nan 0.000 0.479 565 G N -0.241 108.598 108.800 0.065 0.000 2.157 565 G HA2 -0.246 3.715 3.960 0.003 0.000 0.248 565 G HA3 -0.246 3.715 3.960 0.003 0.000 0.248 565 G C 0.266 175.201 174.900 0.059 0.000 0.979 565 G CA -0.011 45.125 45.100 0.059 0.000 0.650 565 G HN 0.315 nan 8.290 nan 0.000 0.529 566 c N 0.844 119.474 118.600 0.051 0.000 2.500 566 c HA 0.906 5.477 4.570 0.003 0.000 0.367 566 c C 0.924 175.038 174.090 0.040 0.000 1.283 566 c CA 0.521 56.873 56.329 0.038 0.000 2.456 566 c CB 0.927 43.444 42.510 0.013 0.000 2.457 566 c HN 1.097 nan 8.230 nan 0.000 0.632 567 T N -1.320 113.257 114.554 0.039 0.000 2.894 567 T HA 0.627 4.979 4.350 0.003 0.000 0.309 567 T C -1.174 173.540 174.700 0.023 0.000 1.208 567 T CA -0.630 61.491 62.100 0.035 0.000 1.016 567 T CB 1.281 70.173 68.868 0.041 0.000 1.192 567 T HN 0.941 nan 8.240 nan 0.000 0.491 568 c N 2.463 121.076 118.600 0.022 0.000 2.701 568 c HA 0.694 5.266 4.570 0.003 0.000 0.336 568 c C -1.115 173.002 174.090 0.044 0.000 1.123 568 c CA -0.447 55.885 56.329 0.005 0.000 1.326 568 c CB 0.734 43.247 42.510 0.005 0.000 1.833 568 c HN 1.061 nan 8.230 nan 0.000 0.473 586 S N 1.127 116.803 115.700 -0.040 0.000 3.983 586 S HA 0.428 4.899 4.470 0.003 0.000 0.194 586 S C 0.942 175.547 174.600 0.009 0.000 1.464 586 S CA 0.256 58.443 58.200 -0.023 0.000 1.021 586 S CB 0.689 63.876 63.200 -0.022 0.000 1.424 586 S HN 0.399 nan 8.310 nan 0.000 0.473 587 T N 1.445 116.023 114.554 0.039 0.000 3.286 587 T HA 0.128 4.480 4.350 0.003 0.000 0.237 587 T C 1.537 176.361 174.700 0.207 0.000 0.969 587 T CA 0.370 62.576 62.100 0.176 0.000 1.298 587 T CB -0.492 68.521 68.868 0.241 0.000 1.053 587 T HN 0.589 nan 8.240 nan 0.000 0.402 588 E N 1.684 122.019 120.200 0.226 0.000 2.147 588 E HA -0.238 4.114 4.350 0.003 0.000 0.199 588 E C 2.232 178.924 176.600 0.154 0.000 1.005 588 E CA 2.172 58.741 56.400 0.282 0.000 0.810 588 E CB -0.144 29.750 29.700 0.322 0.000 0.736 588 E HN 0.585 nan 8.360 nan 0.000 0.460 589 E N 0.897 121.143 120.200 0.076 0.000 2.152 589 E HA -0.098 4.253 4.350 0.003 0.000 0.192 589 E C 2.023 178.612 176.600 -0.017 0.000 0.983 589 E CA 1.208 57.622 56.400 0.023 0.000 0.818 589 E CB -0.502 29.200 29.700 0.002 0.000 0.758 589 E HN 0.182 nan 8.360 nan 0.000 0.467 590 R N -1.546 118.932 120.500 -0.037 0.000 2.282 590 R HA 0.038 4.379 4.340 0.003 0.000 0.195 590 R C 1.119 177.281 176.300 -0.230 0.000 0.909 590 R CA 0.558 56.564 56.100 -0.157 0.000 1.039 590 R CB 0.322 30.478 30.300 -0.239 0.000 1.015 590 R HN 0.482 nan 8.270 nan 0.000 0.513 591 H N -0.854 118.283 119.070 0.111 0.000 2.874 591 H HA 0.226 4.783 4.556 0.003 0.000 0.264 591 H C -0.108 175.308 175.328 0.147 0.000 1.007 591 H CA 0.014 56.161 56.048 0.165 0.000 1.207 591 H CB 1.125 31.036 29.762 0.248 0.000 1.487 591 H HN -0.068 nan 8.280 nan 0.000 0.505 592 L N 2.466 123.797 121.223 0.180 0.000 2.599 592 L HA 0.177 4.518 4.340 0.003 0.000 0.241 592 L C 1.252 178.067 176.870 -0.093 0.000 1.207 592 L CA 0.183 55.069 54.840 0.076 0.000 0.987 592 L CB 0.417 42.550 42.059 0.124 0.000 1.318 592 L HN 0.152 nan 8.230 nan 0.000 0.458 593 L N 0.749 121.769 121.223 -0.339 0.000 2.265 593 L HA -0.175 4.167 4.340 0.003 0.000 0.215 593 L C 0.788 177.285 176.870 -0.622 0.000 1.117 593 L CA 1.625 56.099 54.840 -0.610 0.000 0.782 593 L CB -0.339 41.144 42.059 -0.960 0.000 0.914 593 L HN 0.520 nan 8.230 nan 0.000 0.441 594 Y N -0.592 119.773 120.300 0.108 0.000 2.696 594 Y HA 0.567 5.119 4.550 0.003 0.000 0.260 594 Y C 1.090 177.038 175.900 0.080 0.000 1.165 594 Y CA -0.395 57.785 58.100 0.133 0.000 1.189 594 Y CB -0.014 38.599 38.460 0.255 0.000 1.180 594 Y HN 0.074 nan 8.280 nan 0.000 0.538 595 G N 1.738 110.599 108.800 0.102 0.000 2.712 595 G HA2 -0.190 3.771 3.960 0.003 0.000 0.686 595 G HA3 -0.190 3.771 3.960 0.003 0.000 0.686 595 G C -0.515 174.391 174.900 0.010 0.000 1.321 595 G CA -0.845 44.299 45.100 0.074 0.000 0.813 595 G HN 0.574 nan 8.290 nan 0.000 0.599 596 R N 0.829 121.330 120.500 0.002 0.000 2.490 596 R HA 0.579 4.920 4.340 0.003 0.000 0.280 596 R C -2.327 173.845 176.300 -0.214 0.000 1.077 596 R CA -0.994 55.028 56.100 -0.130 0.000 1.065 596 R CB 0.311 30.661 30.300 0.083 0.000 1.003 596 R HN 0.360 nan 8.270 nan 0.000 0.470 597 P HA 0.016 nan 4.420 nan 0.000 0.267 597 P C -0.997 176.145 177.300 -0.262 0.000 1.200 597 P CA -0.039 62.752 63.100 -0.514 0.000 0.772 597 P CB 0.837 31.989 31.700 -0.915 0.000 0.855 598 A N 2.862 125.554 122.820 -0.214 0.000 2.290 598 A HA 0.409 4.730 4.320 0.003 0.000 0.310 598 A C -0.284 177.232 177.584 -0.112 0.000 1.202 598 A CA -0.571 51.415 52.037 -0.085 0.000 0.837 598 A CB 0.331 19.302 19.000 -0.049 0.000 1.139 598 A HN 0.371 nan 8.150 nan 0.000 0.509 599 V N 4.197 124.067 119.914 -0.072 0.000 2.432 599 V HA 0.101 4.222 4.120 0.003 0.000 0.271 599 V C 0.712 176.750 176.094 -0.092 0.000 1.046 599 V CA 0.200 62.402 62.300 -0.164 0.000 0.945 599 V CB 0.793 32.404 31.823 -0.354 0.000 0.992 599 V HN 0.804 nan 8.190 nan 0.000 0.471 600 L N 6.497 127.729 121.223 0.015 0.000 2.741 600 L HA 0.313 4.654 4.340 0.003 0.000 0.237 600 L C -0.053 176.929 176.870 0.188 0.000 1.178 600 L CA -0.102 54.792 54.840 0.089 0.000 0.973 600 L CB -0.498 41.622 42.059 0.101 0.000 1.255 600 L HN 0.788 nan 8.230 nan 0.000 0.498 601 Y N -3.356 116.963 120.300 0.032 0.000 2.638 601 Y HA 0.752 5.304 4.550 0.003 0.000 0.339 601 Y C 0.093 176.029 175.900 0.061 0.000 1.084 601 Y CA -1.861 56.266 58.100 0.045 0.000 1.068 601 Y CB 0.494 38.981 38.460 0.045 0.000 1.294 601 Y HN -0.204 nan 8.280 nan 0.000 0.480 602 R N 0.809 121.404 120.500 0.159 0.000 2.248 602 R HA 0.691 5.033 4.340 0.003 0.000 0.328 602 R C -0.518 175.826 176.300 0.073 0.000 1.067 602 R CA 0.321 56.461 56.100 0.067 0.000 0.924 602 R CB 0.047 30.400 30.300 0.090 0.000 1.013 602 R HN 1.025 nan 8.270 nan 0.000 0.454 603 T N -0.389 114.148 114.554 -0.029 0.000 2.693 603 T HA 0.555 4.907 4.350 0.003 0.000 0.304 603 T C -1.321 173.393 174.700 0.024 0.000 1.471 603 T CA 0.259 62.364 62.100 0.009 0.000 0.993 603 T CB 1.655 70.519 68.868 -0.008 0.000 1.554 603 T HN 0.906 nan 8.240 nan 0.000 0.496 604 S N 1.521 117.230 115.700 0.015 0.000 2.552 604 S HA 0.784 5.256 4.470 0.003 0.000 0.314 604 S C -1.354 173.273 174.600 0.045 0.000 1.099 604 S CA -0.555 57.638 58.200 -0.012 0.000 1.070 604 S CB 0.081 63.211 63.200 -0.118 0.000 0.998 604 S HN 0.745 nan 8.310 nan 0.000 0.474 605 Y N 1.043 121.266 120.300 -0.128 0.000 2.597 605 Y HA 0.762 5.313 4.550 0.003 0.000 0.340 605 Y C -1.556 174.279 175.900 -0.109 0.000 1.097 605 Y CA -1.158 56.873 58.100 -0.116 0.000 1.037 605 Y CB 1.041 39.436 38.460 -0.108 0.000 1.305 605 Y HN 0.352 nan 8.280 nan 0.000 0.463 606 D N 2.804 123.154 120.400 -0.083 0.000 2.362 606 D HA 0.348 4.990 4.640 0.003 0.000 0.247 606 D C -0.358 175.808 176.300 -0.223 0.000 1.050 606 D CA -0.276 53.596 54.000 -0.212 0.000 0.839 606 D CB 2.567 43.345 40.800 -0.036 0.000 1.283 606 D HN 0.458 nan 8.370 nan 0.000 0.477 607 I N 1.853 122.154 120.570 -0.448 0.000 2.529 607 I HA 0.186 4.358 4.170 0.003 0.000 0.284 607 I C 0.276 176.139 176.117 -0.423 0.000 1.082 607 I CA -0.138 60.901 61.300 -0.436 0.000 1.406 607 I CB 0.186 37.826 38.000 -0.599 0.000 1.405 607 I HN 0.197 nan 8.210 nan 0.000 0.548 608 L N 7.336 128.324 121.223 -0.391 0.000 2.376 608 L HA 0.398 4.739 4.340 0.003 0.000 0.275 608 L C -0.956 175.639 176.870 -0.459 0.000 0.987 608 L CA -0.780 53.855 54.840 -0.341 0.000 0.828 608 L CB 1.435 43.462 42.059 -0.053 0.000 1.249 608 L HN 0.354 nan 8.230 nan 0.000 0.409 609 Y N 1.189 121.305 120.300 -0.307 0.000 2.376 609 Y HA 0.574 5.126 4.550 0.003 0.000 0.325 609 Y C 0.057 175.482 175.900 -0.791 0.000 1.199 609 Y CA -0.417 57.504 58.100 -0.298 0.000 1.206 609 Y CB 1.208 39.594 38.460 -0.123 0.000 1.229 609 Y HN 0.477 nan 8.280 nan 0.000 0.480 610 H N -2.146 116.783 119.070 -0.234 0.000 3.017 610 H HA 0.281 4.839 4.556 0.003 0.000 0.346 610 H C 0.551 175.719 175.328 -0.267 0.000 1.286 610 H CA -0.659 55.129 56.048 -0.433 0.000 1.120 610 H CB 1.130 30.209 29.762 -1.139 0.000 1.860 610 H HN 0.519 nan 8.280 nan 0.000 0.542 611 T N -0.204 114.307 114.554 -0.073 0.000 2.684 611 T HA -0.133 4.219 4.350 0.003 0.000 0.267 611 T C 0.584 175.292 174.700 0.014 0.000 1.036 611 T CA 1.995 64.097 62.100 0.003 0.000 1.148 611 T CB -0.173 68.711 68.868 0.026 0.000 0.863 611 T HN 0.561 nan 8.240 nan 0.000 0.436 612 D N 0.056 120.331 120.400 -0.209 0.000 2.379 612 D HA 0.262 4.904 4.640 0.003 0.000 0.208 612 D C 0.049 175.790 176.300 -0.932 0.000 1.065 612 D CA 0.058 53.824 54.000 -0.390 0.000 0.848 612 D CB 0.299 40.869 40.800 -0.385 0.000 0.949 612 D HN 0.546 nan 8.370 nan 0.000 0.509 613 F N -1.008 118.448 119.950 -0.825 0.000 2.719 613 F HA 0.554 5.082 4.527 0.003 0.000 0.309 613 F C -1.230 174.549 175.800 -0.036 0.000 1.138 613 F CA -1.279 56.370 58.000 -0.586 0.000 0.943 613 F CB 1.519 40.078 39.000 -0.734 0.000 1.304 613 F HN -0.312 nan 8.300 nan 0.000 0.445 614 E N 1.169 121.559 120.200 0.316 0.000 2.299 614 E HA 0.799 5.151 4.350 0.003 0.000 0.265 614 E C -1.588 175.278 176.600 0.443 0.000 0.911 614 E CA -0.914 55.700 56.400 0.356 0.000 0.789 614 E CB 2.356 32.330 29.700 0.456 0.000 1.246 614 E HN 0.964 nan 8.360 nan 0.000 0.427 615 S N 0.634 116.383 115.700 0.083 0.000 2.570 615 S HA 0.650 5.122 4.470 0.003 0.000 0.270 615 S C -0.477 173.545 174.600 -0.963 0.000 1.149 615 S CA -0.734 57.221 58.200 -0.409 0.000 0.837 615 S CB 1.451 64.662 63.200 0.019 0.000 1.124 615 S HN 0.573 nan 8.310 nan 0.000 0.465 616 G N 1.138 108.871 108.800 -1.778 0.000 2.607 616 G HA2 0.459 4.421 3.960 0.003 0.000 0.332 616 G HA3 0.459 4.421 3.960 0.003 0.000 0.332 616 G C -1.057 173.633 174.900 -0.350 0.000 1.046 616 G CA -0.491 44.080 45.100 -0.883 0.000 1.099 616 G HN 0.685 nan 8.290 nan 0.000 0.451 617 Y N 3.429 123.634 120.300 -0.159 0.000 2.393 617 Y HA 0.476 5.027 4.550 0.003 0.000 0.338 617 Y C 0.667 176.600 175.900 0.055 0.000 1.029 617 Y CA -0.469 57.611 58.100 -0.034 0.000 1.239 617 Y CB 1.341 39.800 38.460 -0.001 0.000 1.170 617 Y HN 0.401 nan 8.280 nan 0.000 0.515 618 S N 4.781 120.193 115.700 -0.480 0.000 2.489 618 S HA 0.155 4.627 4.470 0.003 0.000 0.277 618 S C 0.575 174.901 174.600 -0.456 0.000 1.230 618 S CA -0.535 57.513 58.200 -0.255 0.000 1.053 618 S CB 0.531 63.730 63.200 -0.002 0.000 0.955 618 S HN 0.908 nan 8.310 nan 0.000 0.488 619 E N 3.892 123.927 120.200 -0.274 0.000 2.481 619 E HA 0.002 4.353 4.350 0.003 0.000 0.195 619 E C 0.970 177.329 176.600 -0.401 0.000 1.047 619 E CA 0.313 56.470 56.400 -0.405 0.000 0.867 619 E CB 0.113 29.305 29.700 -0.846 0.000 0.858 619 E HN 0.658 nan 8.360 nan 0.000 0.513 620 I N -0.612 119.754 120.570 -0.340 0.000 2.729 620 I HA -0.044 4.127 4.170 0.003 0.000 0.256 620 I C 1.453 177.237 176.117 -0.556 0.000 1.115 620 I CA 0.978 61.995 61.300 -0.472 0.000 1.446 620 I CB -0.557 37.057 38.000 -0.643 0.000 1.176 620 I HN 0.048 nan 8.210 nan 0.000 0.446 621 F N 0.878 120.755 119.950 -0.121 0.000 2.727 621 F HA 0.339 4.868 4.527 0.003 0.000 0.302 621 F C 1.158 176.925 175.800 -0.054 0.000 1.097 621 F CA 0.004 57.944 58.000 -0.101 0.000 1.330 621 F CB -0.166 38.748 39.000 -0.143 0.000 1.084 621 F HN -0.139 nan 8.300 nan 0.000 0.578 622 L N 0.403 121.603 121.223 -0.038 0.000 4.089 622 L HA -0.264 4.078 4.340 0.003 0.000 0.408 622 L C -0.304 176.579 176.870 0.022 0.000 1.184 622 L CA 0.359 55.211 54.840 0.020 0.000 0.947 622 L CB -2.302 39.862 42.059 0.175 0.000 2.066 622 L HN 0.454 nan 8.230 nan 0.000 0.851 623 M N -4.080 115.374 119.600 -0.243 0.000 2.833 623 M HA 0.706 5.187 4.480 0.003 0.000 0.270 623 M C -3.024 173.164 176.300 -0.186 0.000 1.209 623 M CA -1.839 53.442 55.300 -0.032 0.000 0.826 623 M CB 1.942 34.647 32.600 0.174 0.000 1.657 623 M HN -0.328 nan 8.290 nan 0.000 0.492 624 P HA 0.250 nan 4.420 nan 0.000 0.271 624 P C 0.185 177.510 177.300 0.043 0.000 1.216 624 P CA -0.275 62.833 63.100 0.013 0.000 0.776 624 P CB 0.578 32.333 31.700 0.092 0.000 0.881 625 L N 1.309 122.522 121.223 -0.016 0.000 2.313 625 L HA 0.106 4.448 4.340 0.003 0.000 0.214 625 L C 0.645 177.768 176.870 0.421 0.000 1.119 625 L CA 0.687 55.627 54.840 0.166 0.000 0.809 625 L CB -0.388 41.739 42.059 0.113 0.000 0.933 625 L HN 0.527 nan 8.230 nan 0.000 0.449 626 W N -2.163 119.298 121.300 0.268 0.000 3.464 626 W HA 0.463 5.125 4.660 0.003 0.000 0.292 626 W C -1.529 175.177 176.519 0.312 0.000 1.262 626 W CA -0.788 56.766 57.345 0.349 0.000 1.202 626 W CB 0.717 30.431 29.460 0.424 0.000 1.334 626 W HN -0.460 nan 8.180 nan 0.000 0.561 627 T N 2.332 117.289 114.554 0.671 0.000 2.937 627 T HA 0.381 4.733 4.350 0.003 0.000 0.297 627 T C -1.033 174.101 174.700 0.723 0.000 0.991 627 T CA -0.354 62.097 62.100 0.584 0.000 0.990 627 T CB 1.766 70.859 68.868 0.374 0.000 0.991 627 T HN 0.485 nan 8.240 nan 0.000 0.440 628 S N 3.265 119.439 115.700 0.791 0.000 2.502 628 S HA 0.837 5.309 4.470 0.003 0.000 0.304 628 S C -1.484 173.484 174.600 0.614 0.000 1.097 628 S CA -0.643 57.928 58.200 0.618 0.000 1.045 628 S CB 0.418 63.947 63.200 0.548 0.000 1.019 628 S HN 0.668 nan 8.310 nan 0.000 0.481 629 Y N -0.040 120.495 120.300 0.391 0.000 2.592 629 Y HA 0.689 5.241 4.550 0.003 0.000 0.334 629 Y C -0.828 175.355 175.900 0.471 0.000 1.136 629 Y CA -1.028 57.306 58.100 0.390 0.000 1.042 629 Y CB 0.709 39.350 38.460 0.301 0.000 1.325 629 Y HN 0.361 nan 8.280 nan 0.000 0.457 630 T N 4.590 119.606 114.554 0.770 0.000 2.855 630 T HA 0.626 4.977 4.350 0.003 0.000 0.281 630 T C -0.865 174.089 174.700 0.424 0.000 1.007 630 T CA -0.575 61.760 62.100 0.391 0.000 1.009 630 T CB 1.056 70.039 68.868 0.192 0.000 0.983 630 T HN 0.518 nan 8.240 nan 0.000 0.455 631 I N 3.488 124.228 120.570 0.283 0.000 2.411 631 I HA 0.264 4.435 4.170 0.003 0.000 0.284 631 I C 0.904 177.113 176.117 0.153 0.000 1.012 631 I CA -0.722 60.725 61.300 0.245 0.000 1.119 631 I CB 1.357 39.493 38.000 0.226 0.000 1.261 631 I HN 0.757 nan 8.210 nan 0.000 0.448 632 S N 5.362 121.141 115.700 0.132 0.000 2.593 632 S HA 0.147 4.619 4.470 0.003 0.000 0.269 632 S C 1.236 175.880 174.600 0.074 0.000 1.334 632 S CA -0.371 57.885 58.200 0.093 0.000 1.015 632 S CB 1.602 64.849 63.200 0.079 0.000 0.912 632 S HN 0.742 nan 8.310 nan 0.000 0.541 633 K N 0.910 121.349 120.400 0.064 0.000 2.113 633 K HA -0.180 4.142 4.320 0.003 0.000 0.208 633 K C 1.572 178.194 176.600 0.036 0.000 1.047 633 K CA 1.696 58.013 56.287 0.050 0.000 0.928 633 K CB -0.212 32.319 32.500 0.052 0.000 0.716 633 K HN 0.850 nan 8.250 nan 0.000 0.446 634 Q N -0.124 119.700 119.800 0.039 0.000 2.204 634 Q HA 0.247 4.589 4.340 0.003 0.000 0.209 634 Q C -0.140 175.880 176.000 0.032 0.000 0.861 634 Q CA 0.045 55.866 55.803 0.030 0.000 0.971 634 Q CB 0.299 29.055 28.738 0.030 0.000 1.095 634 Q HN 0.220 nan 8.270 nan 0.000 0.486 635 A N 1.063 123.908 122.820 0.042 0.000 2.520 635 A HA 0.404 4.725 4.320 0.003 0.000 0.235 635 A C 0.183 177.780 177.584 0.021 0.000 1.065 635 A CA 0.567 52.633 52.037 0.048 0.000 0.764 635 A CB -0.023 19.020 19.000 0.071 0.000 1.002 635 A HN 0.537 nan 8.150 nan 0.000 0.502 636 E N 0.744 120.958 120.200 0.024 0.000 2.179 636 E HA 0.544 4.896 4.350 0.003 0.000 0.275 636 E C -0.952 175.644 176.600 -0.005 0.000 0.945 636 E CA -0.719 55.684 56.400 0.006 0.000 0.792 636 E CB 1.563 31.272 29.700 0.016 0.000 1.125 636 E HN 0.874 nan 8.360 nan 0.000 0.397 637 V N 3.309 123.204 119.914 -0.032 0.000 2.348 637 V HA 0.425 4.547 4.120 0.003 0.000 0.270 637 V C 0.566 176.648 176.094 -0.020 0.000 1.037 637 V CA -0.137 62.135 62.300 -0.047 0.000 0.872 637 V CB 0.504 32.262 31.823 -0.109 0.000 1.002 637 V HN 0.891 nan 8.190 nan 0.000 0.464 638 S N 4.229 119.937 115.700 0.014 0.000 2.730 638 S HA 0.700 5.172 4.470 0.003 0.000 0.284 638 S C 0.085 174.737 174.600 0.088 0.000 1.153 638 S CA -0.729 57.492 58.200 0.035 0.000 0.995 638 S CB 1.684 64.907 63.200 0.038 0.000 1.058 638 S HN 0.550 nan 8.310 nan 0.000 0.552 639 S N -0.180 115.572 115.700 0.087 0.000 2.758 639 S HA 0.537 5.009 4.470 0.003 0.000 0.292 639 S C -0.229 174.438 174.600 0.111 0.000 1.131 639 S CA -0.866 57.422 58.200 0.147 0.000 0.997 639 S CB 0.284 63.533 63.200 0.082 0.000 1.111 639 S HN 0.649 nan 8.310 nan 0.000 0.552 640 I N 2.659 123.303 120.570 0.124 0.000 2.291 640 I HA 0.257 4.429 4.170 0.003 0.000 0.290 640 I C -2.287 173.824 176.117 -0.010 0.000 1.050 640 I CA -2.094 59.224 61.300 0.030 0.000 1.245 640 I CB 0.822 38.836 38.000 0.023 0.000 1.405 640 I HN 0.317 nan 8.210 nan 0.000 0.478 641 P HA -0.001 nan 4.420 nan 0.000 0.264 641 P C 0.960 178.175 177.300 -0.141 0.000 1.179 641 P CA 0.296 63.342 63.100 -0.089 0.000 0.763 641 P CB 0.642 32.243 31.700 -0.165 0.000 0.806 642 E N 2.236 122.434 120.200 -0.003 0.000 2.209 642 E HA -0.257 4.094 4.350 0.003 0.000 0.196 642 E C 1.557 178.152 176.600 -0.008 0.000 0.993 642 E CA 1.825 58.231 56.400 0.009 0.000 0.819 642 E CB -1.380 28.353 29.700 0.055 0.000 0.745 642 E HN 0.806 nan 8.360 nan 0.000 0.477 643 H N -1.071 117.976 119.070 -0.039 0.000 2.551 643 H HA 0.259 4.816 4.556 0.003 0.000 0.266 643 H C 1.599 176.863 175.328 -0.106 0.000 0.977 643 H CA 0.824 56.843 56.048 -0.049 0.000 1.163 643 H CB -0.050 29.695 29.762 -0.029 0.000 1.381 643 H HN 0.400 nan 8.280 nan 0.000 0.581 644 L N 0.710 121.565 121.223 -0.613 0.000 2.728 644 L HA 0.124 4.465 4.340 0.003 0.000 0.238 644 L C 1.825 178.460 176.870 -0.392 0.000 1.143 644 L CA -0.034 54.405 54.840 -0.669 0.000 0.937 644 L CB 0.293 41.718 42.059 -1.056 0.000 1.225 644 L HN 0.066 nan 8.230 nan 0.000 0.507 645 T N 0.553 115.000 114.554 -0.178 0.000 2.620 645 T HA -0.259 4.093 4.350 0.003 0.000 0.267 645 T C 1.115 175.842 174.700 0.044 0.000 1.044 645 T CA 2.067 64.149 62.100 -0.031 0.000 1.161 645 T CB -0.303 68.562 68.868 -0.005 0.000 0.862 645 T HN 0.478 nan 8.240 nan 0.000 0.438 646 N N -0.015 118.702 118.700 0.028 0.000 2.320 646 N HA 0.251 4.992 4.740 0.003 0.000 0.237 646 N C -0.399 175.172 175.510 0.101 0.000 1.129 646 N CA -0.437 52.688 53.050 0.125 0.000 0.854 646 N CB 0.269 38.818 38.487 0.105 0.000 1.083 646 N HN 0.299 nan 8.380 nan 0.000 0.504 647 c N 1.627 120.205 118.600 -0.035 0.000 2.540 647 c HA 0.386 4.957 4.570 0.003 0.000 0.377 647 c C 0.118 174.249 174.090 0.068 0.000 1.274 647 c CA -0.248 55.989 56.329 -0.153 0.000 1.718 647 c CB -1.389 40.736 42.510 -0.641 0.000 2.391 647 c HN 0.061 nan 8.230 nan 0.000 0.565 648 V N 8.482 128.443 119.914 0.079 0.000 2.531 648 V HA 0.571 4.693 4.120 0.003 0.000 0.301 648 V C -0.124 175.992 176.094 0.038 0.000 1.034 648 V CA -0.506 61.855 62.300 0.102 0.000 0.865 648 V CB 1.602 33.431 31.823 0.011 0.000 0.995 648 V HN 0.820 nan 8.190 nan 0.000 0.424 649 R N 5.436 125.961 120.500 0.041 0.000 2.445 649 R HA 0.503 4.844 4.340 0.003 0.000 0.308 649 R C -2.692 173.536 176.300 -0.120 0.000 0.961 649 R CA -1.861 54.230 56.100 -0.015 0.000 0.862 649 R CB 2.282 32.607 30.300 0.042 0.000 1.144 649 R HN 0.425 nan 8.270 nan 0.000 0.447 650 P HA -0.066 nan 4.420 nan 0.000 0.271 650 P C -0.834 176.145 177.300 -0.534 0.000 1.233 650 P CA 0.028 62.752 63.100 -0.627 0.000 0.789 650 P CB 0.661 31.680 31.700 -1.136 0.000 0.951 651 D N 0.936 120.976 120.400 -0.601 0.000 2.454 651 D HA 0.100 4.742 4.640 0.003 0.000 0.247 651 D C 1.025 177.295 176.300 -0.050 0.000 1.129 651 D CA -0.685 53.173 54.000 -0.237 0.000 0.877 651 D CB 0.871 41.575 40.800 -0.162 0.000 1.082 651 D HN 0.054 nan 8.370 nan 0.000 0.537 652 V N 2.500 122.467 119.914 0.088 0.000 3.330 652 V HA -0.021 4.101 4.120 0.003 0.000 0.273 652 V C 1.512 177.808 176.094 0.337 0.000 1.179 652 V CA 0.933 63.438 62.300 0.340 0.000 1.174 652 V CB -0.779 31.200 31.823 0.261 0.000 0.794 652 V HN 0.350 nan 8.190 nan 0.000 0.527 653 R N -0.191 120.430 120.500 0.201 0.000 2.265 653 R HA 0.380 4.721 4.340 0.003 0.000 0.194 653 R C -0.024 176.406 176.300 0.218 0.000 0.931 653 R CA 0.163 56.373 56.100 0.183 0.000 1.032 653 R CB 0.747 31.087 30.300 0.066 0.000 0.980 653 R HN 0.508 nan 8.270 nan 0.000 0.497 654 V N 1.490 121.503 119.914 0.164 0.000 2.540 654 V HA 0.171 4.293 4.120 0.003 0.000 0.302 654 V C 0.207 176.299 176.094 -0.004 0.000 1.035 654 V CA -1.092 61.277 62.300 0.115 0.000 0.873 654 V CB 1.798 33.595 31.823 -0.044 0.000 0.992 654 V HN 0.255 nan 8.190 nan 0.000 0.428 655 S N 5.203 120.831 115.700 -0.121 0.000 2.566 655 S HA 0.166 4.638 4.470 0.003 0.000 0.280 655 S C -1.587 172.807 174.600 -0.343 0.000 1.343 655 S CA -0.349 57.430 58.200 -0.701 0.000 1.036 655 S CB 0.840 63.822 63.200 -0.363 0.000 0.866 655 S HN 0.580 nan 8.310 nan 0.000 0.526 656 P HA 0.053 nan 4.420 nan 0.000 0.218 656 P C 1.543 178.787 177.300 -0.094 0.000 1.149 656 P CA 1.490 64.482 63.100 -0.180 0.000 0.817 656 P CB -0.406 31.010 31.700 -0.473 0.000 0.785 657 G N -2.031 106.612 108.800 -0.263 0.000 2.534 657 G HA2 -0.141 3.821 3.960 0.003 0.000 0.217 657 G HA3 -0.141 3.821 3.960 0.003 0.000 0.217 657 G C 0.727 175.515 174.900 -0.187 0.000 1.128 657 G CA 0.025 44.955 45.100 -0.283 0.000 0.784 657 G HN 0.278 nan 8.290 nan 0.000 0.542 658 F N 1.206 121.184 119.950 0.046 0.000 2.750 658 F HA 0.370 4.899 4.527 0.003 0.000 0.297 658 F C 0.489 176.415 175.800 0.211 0.000 1.138 658 F CA -0.668 57.403 58.000 0.119 0.000 1.346 658 F CB 0.740 39.827 39.000 0.145 0.000 0.965 658 F HN -0.067 nan 8.300 nan 0.000 0.514 659 S N -0.218 115.665 115.700 0.304 0.000 2.566 659 S HA 0.393 4.865 4.470 0.003 0.000 0.298 659 S C -0.311 174.419 174.600 0.217 0.000 1.083 659 S CA -0.849 57.514 58.200 0.271 0.000 0.978 659 S CB 2.044 65.363 63.200 0.199 0.000 1.073 659 S HN 0.172 nan 8.310 nan 0.000 0.491 660 Q N 1.108 121.040 119.800 0.219 0.000 2.396 660 Q HA 0.349 4.691 4.340 0.003 0.000 0.221 660 Q C -0.297 175.781 176.000 0.130 0.000 1.025 660 Q CA -0.410 55.498 55.803 0.175 0.000 0.946 660 Q CB 0.340 29.218 28.738 0.233 0.000 1.224 660 Q HN 0.759 nan 8.270 nan 0.000 0.539 661 N N -2.088 116.671 118.700 0.099 0.000 2.225 661 N HA 0.257 4.998 4.740 0.003 0.000 0.298 661 N C -0.696 174.878 175.510 0.107 0.000 1.076 661 N CA -0.742 52.359 53.050 0.084 0.000 0.792 661 N CB 1.040 39.562 38.487 0.058 0.000 1.498 661 N HN 0.456 nan 8.380 nan 0.000 0.474 662 c N 0.654 119.321 118.600 0.112 0.000 2.448 662 c HA 0.039 4.610 4.570 0.003 0.000 0.280 662 c C 2.298 176.481 174.090 0.154 0.000 1.398 662 c CA -0.118 56.310 56.329 0.165 0.000 1.774 662 c CB -1.536 41.020 42.510 0.077 0.000 1.888 662 c HN 0.829 nan 8.230 nan 0.000 0.519 663 L N 2.268 123.543 121.223 0.085 0.000 2.042 663 L HA -0.113 4.228 4.340 0.003 0.000 0.210 663 L C 2.614 179.506 176.870 0.036 0.000 1.076 663 L CA 2.319 57.196 54.840 0.062 0.000 0.749 663 L CB -0.719 41.363 42.059 0.039 0.000 0.893 663 L HN 0.270 nan 8.230 nan 0.000 0.432 664 A N -1.189 121.612 122.820 -0.031 0.000 1.883 664 A HA -0.265 4.056 4.320 0.003 0.000 0.217 664 A C 2.118 179.618 177.584 -0.140 0.000 1.186 664 A CA 2.136 54.094 52.037 -0.132 0.000 0.624 664 A CB -1.186 17.656 19.000 -0.264 0.000 0.822 664 A HN 0.587 nan 8.150 nan 0.000 0.444 665 Y N -0.152 120.190 120.300 0.069 0.000 2.089 665 Y HA -0.144 4.407 4.550 0.003 0.000 0.282 665 Y C 3.049 179.009 175.900 0.101 0.000 1.139 665 Y CA 2.151 60.314 58.100 0.104 0.000 1.123 665 Y CB -0.599 37.959 38.460 0.164 0.000 0.980 665 Y HN 0.359 nan 8.280 nan 0.000 0.493 666 K N 0.739 121.289 120.400 0.250 0.000 2.144 666 K HA -0.296 4.026 4.320 0.003 0.000 0.209 666 K C 1.527 178.197 176.600 0.116 0.000 1.047 666 K CA 2.383 58.769 56.287 0.164 0.000 0.927 666 K CB -1.505 31.070 32.500 0.125 0.000 0.716 666 K HN 0.691 nan 8.250 nan 0.000 0.454 667 N N -0.380 118.373 118.700 0.088 0.000 2.395 667 N HA -0.059 4.682 4.740 0.003 0.000 0.175 667 N C 0.001 175.547 175.510 0.060 0.000 1.029 667 N CA 0.043 53.128 53.050 0.059 0.000 0.897 667 N CB 0.256 38.764 38.487 0.034 0.000 0.991 667 N HN 0.462 nan 8.380 nan 0.000 0.441 668 D N 1.413 121.853 120.400 0.068 0.000 2.338 668 D HA 0.041 4.683 4.640 0.003 0.000 0.255 668 D C 0.855 177.216 176.300 0.102 0.000 1.237 668 D CA 0.195 54.239 54.000 0.073 0.000 0.883 668 D CB 1.176 42.013 40.800 0.063 0.000 1.087 668 D HN 0.143 nan 8.370 nan 0.000 0.485 669 K N 3.269 123.722 120.400 0.089 0.000 2.362 669 K HA -0.116 4.206 4.320 0.003 0.000 0.200 669 K C 1.740 178.407 176.600 0.112 0.000 1.046 669 K CA 1.239 57.580 56.287 0.090 0.000 0.952 669 K CB -0.287 32.254 32.500 0.069 0.000 0.753 669 K HN 0.643 nan 8.250 nan 0.000 0.466 670 Q N -2.076 117.810 119.800 0.142 0.000 2.402 670 Q HA 0.267 4.608 4.340 0.003 0.000 0.231 670 Q C 0.166 176.329 176.000 0.271 0.000 0.888 670 Q CA -0.127 55.801 55.803 0.207 0.000 0.938 670 Q CB 0.558 29.442 28.738 0.243 0.000 1.086 670 Q HN 0.496 nan 8.270 nan 0.000 0.543 671 M N 0.608 120.317 119.600 0.181 0.000 2.205 671 M HA 0.302 4.784 4.480 0.003 0.000 0.344 671 M C -0.419 176.009 176.300 0.213 0.000 1.085 671 M CA -0.183 55.182 55.300 0.109 0.000 1.001 671 M CB 1.730 34.351 32.600 0.035 0.000 1.626 671 M HN -0.117 nan 8.290 nan 0.000 0.442 672 S N 3.520 119.303 115.700 0.137 0.000 2.505 672 S HA 0.832 5.304 4.470 0.003 0.000 0.273 672 S C -1.339 173.201 174.600 -0.100 0.000 1.123 672 S CA -0.380 57.842 58.200 0.036 0.000 1.006 672 S CB 0.598 63.740 63.200 -0.095 0.000 1.243 672 S HN 0.709 nan 8.310 nan 0.000 0.498 673 Y N -2.024 118.043 120.300 -0.388 0.000 2.625 673 Y HA 0.843 5.394 4.550 0.003 0.000 0.338 673 Y C -0.211 175.371 175.900 -0.531 0.000 1.123 673 Y CA -0.744 57.000 58.100 -0.594 0.000 1.046 673 Y CB 0.783 38.602 38.460 -1.067 0.000 1.299 673 Y HN 0.779 nan 8.280 nan 0.000 0.464 674 G N 0.377 108.922 108.800 -0.426 0.000 2.866 674 G HA2 0.676 4.637 3.960 0.003 0.000 0.289 674 G HA3 0.676 4.637 3.960 0.003 0.000 0.289 674 G C -2.418 172.113 174.900 -0.615 0.000 1.396 674 G CA -1.097 43.696 45.100 -0.511 0.000 0.848 674 G HN 0.447 nan 8.290 nan 0.000 0.515 675 F N -0.193 119.787 119.950 0.049 0.000 2.520 675 F HA 0.483 5.012 4.527 0.003 0.000 0.322 675 F C 1.226 177.081 175.800 0.093 0.000 1.103 675 F CA -0.871 57.120 58.000 -0.016 0.000 0.926 675 F CB 2.121 41.023 39.000 -0.164 0.000 1.154 675 F HN 0.225 nan 8.300 nan 0.000 0.453 676 L N 1.040 122.386 121.223 0.205 0.000 2.005 676 L HA -0.079 4.263 4.340 0.003 0.000 0.207 676 L C 0.647 177.593 176.870 0.126 0.000 1.072 676 L CA 1.170 56.160 54.840 0.249 0.000 0.744 676 L CB -0.136 42.026 42.059 0.171 0.000 0.895 676 L HN 0.439 nan 8.230 nan 0.000 0.433 677 F N 3.485 123.192 119.950 -0.404 0.000 2.424 677 F HA 0.291 4.820 4.527 0.003 0.000 0.356 677 F C -2.086 173.359 175.800 -0.592 0.000 1.110 677 F CA -3.253 54.268 58.000 -0.799 0.000 1.161 677 F CB 0.496 38.561 39.000 -1.559 0.000 1.115 677 F HN -0.203 nan 8.300 nan 0.000 0.507 678 P HA 0.200 nan 4.420 nan 0.000 0.282 678 P C -2.540 174.138 177.300 -1.037 0.000 1.262 678 P CA -1.593 61.000 63.100 -0.845 0.000 0.773 678 P CB 1.229 32.567 31.700 -0.603 0.000 0.879 679 P HA -0.162 nan 4.420 nan 0.000 0.217 679 P C 1.042 178.003 177.300 -0.566 0.000 1.148 679 P CA 1.542 64.160 63.100 -0.804 0.000 0.828 679 P CB -0.551 30.534 31.700 -1.026 0.000 0.783 680 Y N -1.269 118.812 120.300 -0.366 0.000 2.446 680 Y HA -0.099 4.453 4.550 0.003 0.000 0.287 680 Y C 1.753 177.492 175.900 -0.270 0.000 1.159 680 Y CA 0.425 58.358 58.100 -0.277 0.000 1.297 680 Y CB -0.879 37.408 38.460 -0.287 0.000 0.974 680 Y HN -0.041 nan 8.280 nan 0.000 0.557 681 L N -0.320 120.739 121.223 -0.274 0.000 2.959 681 L HA 0.174 4.515 4.340 0.003 0.000 0.259 681 L C 0.775 177.660 176.870 0.024 0.000 1.185 681 L CA -0.423 54.307 54.840 -0.183 0.000 0.998 681 L CB -0.055 41.816 42.059 -0.313 0.000 1.337 681 L HN 0.027 nan 8.230 nan 0.000 0.555 682 S N -0.540 115.188 115.700 0.046 0.000 2.558 682 S HA -0.045 4.426 4.470 0.003 0.000 0.287 682 S C 1.375 176.072 174.600 0.163 0.000 1.321 682 S CA 0.088 58.410 58.200 0.203 0.000 1.048 682 S CB 1.088 64.356 63.200 0.113 0.000 0.844 682 S HN 0.382 nan 8.310 nan 0.000 0.512 683 S N 0.489 116.293 115.700 0.172 0.000 2.501 683 S HA 0.258 4.730 4.470 0.003 0.000 0.220 683 S C 0.550 175.214 174.600 0.107 0.000 0.997 683 S CA 0.119 58.401 58.200 0.136 0.000 0.919 683 S CB -0.782 62.501 63.200 0.138 0.000 0.778 683 S HN 1.783 nan 8.310 nan 0.000 0.523 684 S N -1.046 114.722 115.700 0.113 0.000 2.608 684 S HA 0.421 4.892 4.470 0.003 0.000 0.285 684 S C -3.103 171.580 174.600 0.138 0.000 1.108 684 S CA -0.956 57.308 58.200 0.107 0.000 0.858 684 S CB 0.875 64.130 63.200 0.091 0.000 1.077 684 S HN -0.094 nan 8.310 nan 0.000 0.450 685 P HA -0.189 nan 4.420 nan 0.000 0.217 685 P C 1.203 178.705 177.300 0.337 0.000 1.151 685 P CA 2.108 65.352 63.100 0.239 0.000 0.849 685 P CB -0.129 31.704 31.700 0.221 0.000 0.787 686 E N -0.369 119.948 120.200 0.196 0.000 2.110 686 E HA -0.161 4.190 4.350 0.003 0.000 0.193 686 E C 2.017 178.727 176.600 0.183 0.000 0.988 686 E CA 1.330 57.815 56.400 0.141 0.000 0.804 686 E CB -0.979 28.759 29.700 0.063 0.000 0.745 686 E HN 0.174 nan 8.360 nan 0.000 0.458 687 A N 2.076 124.994 122.820 0.164 0.000 1.854 687 A HA -0.149 4.172 4.320 0.003 0.000 0.214 687 A C 2.185 179.880 177.584 0.185 0.000 1.192 687 A CA 1.445 53.570 52.037 0.145 0.000 0.611 687 A CB -0.490 18.579 19.000 0.114 0.000 0.832 687 A HN 0.147 nan 8.150 nan 0.000 0.442 688 K N -1.514 118.999 120.400 0.190 0.000 2.173 688 K HA -0.240 4.082 4.320 0.003 0.000 0.207 688 K C 1.604 178.297 176.600 0.155 0.000 1.046 688 K CA 1.922 58.284 56.287 0.124 0.000 0.929 688 K CB -0.347 32.216 32.500 0.104 0.000 0.720 688 K HN 0.607 nan 8.250 nan 0.000 0.453 689 Y N 0.901 121.323 120.300 0.203 0.000 2.421 689 Y HA -0.158 4.394 4.550 0.003 0.000 0.292 689 Y C 1.890 177.912 175.900 0.205 0.000 1.136 689 Y CA 1.074 59.339 58.100 0.276 0.000 1.255 689 Y CB 0.102 38.643 38.460 0.136 0.000 0.991 689 Y HN 0.175 nan 8.280 nan 0.000 0.552 690 D N -0.494 120.057 120.400 0.253 0.000 2.178 690 D HA -0.117 4.524 4.640 0.003 0.000 0.202 690 D C 2.192 178.552 176.300 0.101 0.000 0.974 690 D CA 1.090 55.204 54.000 0.190 0.000 0.841 690 D CB -0.261 40.648 40.800 0.181 0.000 0.953 690 D HN 0.324 nan 8.370 nan 0.000 0.478 691 A N -0.201 122.567 122.820 -0.085 0.000 2.070 691 A HA -0.121 4.200 4.320 0.003 0.000 0.220 691 A C 1.551 178.571 177.584 -0.940 0.000 1.159 691 A CA 0.734 52.488 52.037 -0.472 0.000 0.656 691 A CB -0.777 17.807 19.000 -0.692 0.000 0.800 691 A HN 0.204 nan 8.150 nan 0.000 0.453 692 F N -0.138 119.528 119.950 -0.474 0.000 2.797 692 F HA 0.292 4.820 4.527 0.003 0.000 0.302 692 F C 0.655 176.319 175.800 -0.227 0.000 1.130 692 F CA -0.348 57.315 58.000 -0.560 0.000 1.387 692 F CB -0.330 38.456 39.000 -0.356 0.000 1.107 692 F HN -0.001 nan 8.300 nan 0.000 0.577 693 L N 0.054 121.270 121.223 -0.011 0.000 2.499 693 L HA -0.073 4.268 4.340 0.003 0.000 0.281 693 L C 1.729 178.636 176.870 0.063 0.000 1.234 693 L CA -0.070 54.795 54.840 0.042 0.000 0.839 693 L CB 0.663 42.769 42.059 0.078 0.000 1.104 693 L HN -0.068 nan 8.230 nan 0.000 0.500 694 V N 1.400 121.324 119.914 0.016 0.000 3.141 694 V HA -0.161 3.961 4.120 0.003 0.000 0.265 694 V C 1.872 178.018 176.094 0.087 0.000 1.126 694 V CA 2.102 64.424 62.300 0.036 0.000 1.141 694 V CB -0.366 31.433 31.823 -0.040 0.000 0.743 694 V HN 1.066 nan 8.190 nan 0.000 0.492 695 T N -2.793 111.785 114.554 0.040 0.000 3.086 695 T HA 0.104 4.456 4.350 0.003 0.000 0.250 695 T C 1.250 176.076 174.700 0.211 0.000 1.074 695 T CA 0.647 62.767 62.100 0.034 0.000 0.988 695 T CB -0.278 68.397 68.868 -0.322 0.000 0.988 695 T HN 0.444 nan 8.240 nan 0.000 0.530 696 N N 1.195 120.007 118.700 0.187 0.000 2.205 696 N HA 0.232 4.974 4.740 0.003 0.000 0.201 696 N C 0.356 176.043 175.510 0.295 0.000 1.128 696 N CA -0.448 52.703 53.050 0.168 0.000 0.867 696 N CB 0.052 38.537 38.487 -0.002 0.000 0.996 696 N HN 0.659 nan 8.380 nan 0.000 0.503 697 M N 0.663 120.440 119.600 0.294 0.000 2.277 697 M HA 0.535 5.017 4.480 0.003 0.000 0.350 697 M C -0.737 175.614 176.300 0.085 0.000 1.180 697 M CA -0.706 54.695 55.300 0.168 0.000 1.103 697 M CB 1.666 34.290 32.600 0.041 0.000 1.577 697 M HN -0.140 nan 8.290 nan 0.000 0.459 698 V N 0.474 120.366 119.914 -0.037 0.000 3.007 698 V HA 0.757 4.879 4.120 0.003 0.000 0.311 698 V C -2.966 173.114 176.094 -0.023 0.000 1.120 698 V CA -2.087 60.225 62.300 0.020 0.000 0.980 698 V CB 1.558 33.371 31.823 -0.017 0.000 1.033 698 V HN 0.798 nan 8.190 nan 0.000 0.429 699 P HA 0.477 nan 4.420 nan 0.000 0.276 699 P C -0.870 176.402 177.300 -0.046 0.000 1.253 699 P CA 0.134 63.340 63.100 0.176 0.000 0.766 699 P CB 0.481 32.349 31.700 0.281 0.000 0.845 700 M N 3.344 122.904 119.600 -0.066 0.000 2.267 700 M HA 0.309 4.791 4.480 0.003 0.000 0.289 700 M C -0.624 175.776 176.300 0.167 0.000 1.043 700 M CA -0.872 54.406 55.300 -0.036 0.000 0.928 700 M CB 1.883 34.405 32.600 -0.131 0.000 1.613 700 M HN 0.179 nan 8.290 nan 0.000 0.450 701 Y N 2.523 123.107 120.300 0.473 0.000 2.597 701 Y HA 0.038 4.589 4.550 0.003 0.000 0.336 701 Y C -1.518 174.499 175.900 0.196 0.000 1.216 701 Y CA -0.705 57.538 58.100 0.239 0.000 1.463 701 Y CB -0.110 38.435 38.460 0.140 0.000 1.303 701 Y HN 0.528 nan 8.280 nan 0.000 0.576 702 P HA -0.322 nan 4.420 nan 0.000 0.216 702 P C 1.251 178.663 177.300 0.188 0.000 1.154 702 P CA 2.828 66.032 63.100 0.173 0.000 0.865 702 P CB 0.075 31.849 31.700 0.124 0.000 0.789 703 A N -1.297 121.643 122.820 0.201 0.000 1.892 703 A HA -0.246 4.075 4.320 0.003 0.000 0.218 703 A C 2.180 179.914 177.584 0.250 0.000 1.188 703 A CA 1.844 53.982 52.037 0.168 0.000 0.631 703 A CB -1.865 17.181 19.000 0.078 0.000 0.822 703 A HN 0.173 nan 8.150 nan 0.000 0.447 704 F N 0.615 120.688 119.950 0.205 0.000 2.186 704 F HA -0.097 4.432 4.527 0.003 0.000 0.299 704 F C 2.164 178.061 175.800 0.162 0.000 1.090 704 F CA 1.939 60.062 58.000 0.206 0.000 1.307 704 F CB -0.144 39.037 39.000 0.302 0.000 1.019 704 F HN 0.133 nan 8.300 nan 0.000 0.489 705 K N -0.025 120.507 120.400 0.220 0.000 2.160 705 K HA -0.224 4.098 4.320 0.003 0.000 0.206 705 K C 2.137 178.759 176.600 0.036 0.000 1.047 705 K CA 1.604 57.959 56.287 0.113 0.000 0.930 705 K CB -0.255 32.291 32.500 0.076 0.000 0.720 705 K HN 0.320 nan 8.250 nan 0.000 0.450 706 R N 0.433 120.960 120.500 0.045 0.000 2.091 706 R HA -0.129 4.213 4.340 0.003 0.000 0.238 706 R C 2.343 178.576 176.300 -0.112 0.000 1.136 706 R CA 1.477 57.592 56.100 0.025 0.000 0.959 706 R CB -0.489 29.916 30.300 0.174 0.000 0.856 706 R HN 0.029 nan 8.270 nan 0.000 0.437 707 V N 0.039 119.836 119.914 -0.196 0.000 2.270 707 V HA -0.248 3.874 4.120 0.003 0.000 0.245 707 V C 2.035 177.988 176.094 -0.233 0.000 1.043 707 V CA 1.522 63.619 62.300 -0.339 0.000 1.014 707 V CB -0.666 30.877 31.823 -0.467 0.000 0.645 707 V HN 0.531 nan 8.190 nan 0.000 0.447 708 W N 0.924 121.909 121.300 -0.525 0.000 2.358 708 W HA -0.205 4.456 4.660 0.003 0.000 0.303 708 W C 2.384 178.855 176.519 -0.080 0.000 1.208 708 W CA 2.047 59.208 57.345 -0.307 0.000 1.274 708 W CB -0.233 29.048 29.460 -0.298 0.000 1.138 708 W HN 0.279 nan 8.180 nan 0.000 0.515 709 T N -0.033 114.509 114.554 -0.020 0.000 2.746 709 T HA -0.295 4.057 4.350 0.003 0.000 0.267 709 T C 1.335 175.908 174.700 -0.212 0.000 1.039 709 T CA 1.807 63.858 62.100 -0.081 0.000 1.142 709 T CB -0.885 67.982 68.868 -0.002 0.000 0.866 709 T HN 0.225 nan 8.240 nan 0.000 0.444 710 Y N 0.949 121.072 120.300 -0.296 0.000 2.181 710 Y HA -0.130 4.421 4.550 0.003 0.000 0.288 710 Y C 2.005 177.683 175.900 -0.370 0.000 1.146 710 Y CA 1.051 58.943 58.100 -0.347 0.000 1.164 710 Y CB -0.483 37.757 38.460 -0.368 0.000 0.982 710 Y HN 0.246 nan 8.280 nan 0.000 0.515 711 F N 0.774 120.453 119.950 -0.452 0.000 2.102 711 F HA -0.247 4.282 4.527 0.002 0.000 0.298 711 F C 2.241 177.643 175.800 -0.664 0.000 1.105 711 F CA 2.014 59.662 58.000 -0.586 0.000 1.239 711 F CB -0.574 38.055 39.000 -0.618 0.000 0.991 711 F HN 0.047 nan 8.300 nan 0.000 0.474 712 Q N 0.197 119.533 119.800 -0.774 0.000 2.119 712 Q HA -0.181 4.160 4.340 0.003 0.000 0.201 712 Q C 2.439 178.084 176.000 -0.592 0.000 0.972 712 Q CA 1.698 57.053 55.803 -0.746 0.000 0.847 712 Q CB -0.474 27.960 28.738 -0.506 0.000 0.903 712 Q HN 0.504 nan 8.270 nan 0.000 0.433 713 R N -0.099 120.020 120.500 -0.635 0.000 2.090 713 R HA 0.005 4.346 4.340 0.003 0.000 0.219 713 R C 2.016 177.925 176.300 -0.650 0.000 1.100 713 R CA 0.704 56.364 56.100 -0.734 0.000 0.991 713 R CB 0.425 30.125 30.300 -1.001 0.000 0.893 713 R HN 0.038 nan 8.270 nan 0.000 0.443 714 V N 0.594 120.043 119.914 -0.775 0.000 2.521 714 V HA -0.026 4.096 4.120 0.003 0.000 0.239 714 V C 2.186 177.819 176.094 -0.768 0.000 1.053 714 V CA 0.777 62.606 62.300 -0.785 0.000 1.073 714 V CB -0.217 30.939 31.823 -1.111 0.000 0.746 714 V HN 0.212 nan 8.190 nan 0.000 0.476 715 L N -0.021 120.650 121.223 -0.919 0.000 2.072 715 L HA -0.089 4.253 4.340 0.003 0.000 0.205 715 L C 2.495 178.603 176.870 -1.271 0.000 1.079 715 L CA 0.959 55.182 54.840 -1.028 0.000 0.752 715 L CB -0.677 40.872 42.059 -0.849 0.000 0.906 715 L HN 0.182 nan 8.230 nan 0.000 0.436 716 V N 0.404 119.686 119.914 -1.053 0.000 2.287 716 V HA -0.296 3.826 4.120 0.003 0.000 0.248 716 V C 2.617 178.473 176.094 -0.396 0.000 1.053 716 V CA 2.073 63.957 62.300 -0.693 0.000 1.027 716 V CB -0.537 30.932 31.823 -0.590 0.000 0.646 716 V HN 0.405 nan 8.190 nan 0.000 0.447 717 K N 1.312 121.478 120.400 -0.391 0.000 2.057 717 K HA -0.208 4.114 4.320 0.003 0.000 0.207 717 K C 2.135 178.612 176.600 -0.205 0.000 1.049 717 K CA 1.940 58.087 56.287 -0.235 0.000 0.931 717 K CB -0.517 31.844 32.500 -0.232 0.000 0.714 717 K HN 0.403 nan 8.250 nan 0.000 0.440 718 K N -0.977 119.231 120.400 -0.320 0.000 2.103 718 K HA -0.183 4.138 4.320 0.003 0.000 0.207 718 K C 1.735 178.312 176.600 -0.037 0.000 1.048 718 K CA 1.468 57.626 56.287 -0.215 0.000 0.930 718 K CB -0.232 32.095 32.500 -0.288 0.000 0.716 718 K HN 0.135 nan 8.250 nan 0.000 0.444 719 Y N 0.387 120.648 120.300 -0.064 0.000 2.163 719 Y HA -0.065 4.486 4.550 0.003 0.000 0.288 719 Y C 2.504 178.401 175.900 -0.005 0.000 1.136 719 Y CA 0.599 58.692 58.100 -0.012 0.000 1.147 719 Y CB -1.203 37.265 38.460 0.014 0.000 0.987 719 Y HN 0.153 nan 8.280 nan 0.000 0.509 720 A N -0.719 122.182 122.820 0.135 0.000 1.940 720 A HA -0.238 4.083 4.320 0.003 0.000 0.219 720 A C 2.621 180.244 177.584 0.065 0.000 1.176 720 A CA 2.219 54.309 52.037 0.090 0.000 0.631 720 A CB -1.135 17.900 19.000 0.058 0.000 0.814 720 A HN 0.410 nan 8.150 nan 0.000 0.446 721 S N -0.610 115.112 115.700 0.036 0.000 2.368 721 S HA -0.162 4.310 4.470 0.003 0.000 0.224 721 S C 1.848 176.466 174.600 0.030 0.000 1.029 721 S CA 1.573 59.786 58.200 0.022 0.000 0.988 721 S CB -0.328 62.868 63.200 -0.007 0.000 0.838 721 S HN 0.678 nan 8.310 nan 0.000 0.462 722 E N 0.032 120.260 120.200 0.047 0.000 2.216 722 E HA 0.041 4.392 4.350 0.003 0.000 0.192 722 E C 1.964 178.570 176.600 0.011 0.000 0.988 722 E CA 0.601 57.016 56.400 0.025 0.000 0.834 722 E CB 0.057 29.791 29.700 0.057 0.000 0.772 722 E HN 0.435 nan 8.360 nan 0.000 0.479 723 R N 0.398 120.932 120.500 0.057 0.000 2.397 723 R HA 0.123 4.464 4.340 0.003 0.000 0.241 723 R C -0.024 176.340 176.300 0.106 0.000 0.914 723 R CA -0.085 56.057 56.100 0.071 0.000 1.071 723 R CB 0.327 30.667 30.300 0.067 0.000 1.116 723 R HN -0.023 nan 8.270 nan 0.000 0.524 724 N N 1.011 119.766 118.700 0.093 0.000 2.806 724 N HA -0.136 4.606 4.740 0.003 0.000 0.248 724 N C -0.571 174.994 175.510 0.092 0.000 1.081 724 N CA 1.147 54.255 53.050 0.096 0.000 0.680 724 N CB -1.256 37.306 38.487 0.124 0.000 0.941 724 N HN 0.558 nan 8.380 nan 0.000 0.554 725 G N -1.845 107.008 108.800 0.088 0.000 2.712 725 G HA2 0.235 4.197 3.960 0.003 0.000 0.686 725 G HA3 0.235 4.197 3.960 0.003 0.000 0.686 725 G C -0.438 174.529 174.900 0.111 0.000 1.321 725 G CA 0.020 45.178 45.100 0.096 0.000 0.813 725 G HN 1.564 nan 8.290 nan 0.000 0.599 726 V N -1.487 118.499 119.914 0.121 0.000 2.888 726 V HA 0.834 4.956 4.120 0.003 0.000 0.309 726 V C -0.015 176.154 176.094 0.124 0.000 1.114 726 V CA -0.892 61.485 62.300 0.129 0.000 0.940 726 V CB 2.053 33.961 31.823 0.143 0.000 1.021 726 V HN 1.272 nan 8.190 nan 0.000 0.426 727 N N 2.211 121.003 118.700 0.152 0.000 2.438 727 N HA 0.566 5.307 4.740 0.003 0.000 0.282 727 N C -1.290 174.266 175.510 0.076 0.000 1.037 727 N CA -0.177 52.958 53.050 0.140 0.000 0.942 727 N CB 1.948 40.584 38.487 0.249 0.000 1.136 727 N HN 0.672 nan 8.380 nan 0.000 0.481 728 V N 5.023 124.858 119.914 -0.131 0.000 2.555 728 V HA 0.527 4.648 4.120 0.003 0.000 0.302 728 V C 0.037 176.084 176.094 -0.078 0.000 1.038 728 V CA -0.702 61.485 62.300 -0.188 0.000 0.887 728 V CB 1.659 33.135 31.823 -0.577 0.000 0.991 728 V HN 0.540 nan 8.190 nan 0.000 0.434 729 I N 3.220 123.865 120.570 0.126 0.000 2.447 729 I HA 0.555 4.726 4.170 0.003 0.000 0.287 729 I C -0.155 176.157 176.117 0.326 0.000 1.023 729 I CA -0.061 61.409 61.300 0.283 0.000 1.083 729 I CB 2.003 40.179 38.000 0.294 0.000 1.245 729 I HN 0.533 nan 8.210 nan 0.000 0.434 730 S N 3.098 118.974 115.700 0.294 0.000 2.600 730 S HA 0.971 5.443 4.470 0.003 0.000 0.300 730 S C -0.087 174.342 174.600 -0.285 0.000 1.087 730 S CA -0.723 57.486 58.200 0.015 0.000 0.965 730 S CB 2.456 65.902 63.200 0.410 0.000 1.089 730 S HN 0.937 nan 8.310 nan 0.000 0.496 731 G N 1.138 109.412 108.800 -0.878 0.000 2.451 731 G HA2 0.583 4.544 3.960 0.003 0.000 0.292 731 G HA3 0.583 4.544 3.960 0.003 0.000 0.292 731 G C -3.605 171.154 174.900 -0.235 0.000 1.427 731 G CA -0.811 44.028 45.100 -0.435 0.000 0.792 731 G HN 0.440 nan 8.290 nan 0.000 0.498 732 P HA 0.661 nan 4.420 nan 0.000 0.284 732 P C -0.833 176.360 177.300 -0.178 0.000 1.258 732 P CA -0.511 62.386 63.100 -0.340 0.000 0.824 732 P CB 2.091 33.566 31.700 -0.376 0.000 1.038 733 I N 1.852 122.142 120.570 -0.467 0.000 2.498 733 I HA 0.363 4.535 4.170 0.003 0.000 0.290 733 I C -0.602 175.185 176.117 -0.551 0.000 1.032 733 I CA -0.803 60.337 61.300 -0.268 0.000 1.073 733 I CB 1.526 39.485 38.000 -0.070 0.000 1.251 733 I HN 0.159 nan 8.210 nan 0.000 0.426 734 F N 4.269 124.150 119.950 -0.115 0.000 2.403 734 F HA 0.348 4.877 4.527 0.003 0.000 0.355 734 F C -0.020 175.761 175.800 -0.032 0.000 1.119 734 F CA -0.554 57.406 58.000 -0.067 0.000 1.007 734 F CB 1.063 40.030 39.000 -0.056 0.000 1.194 734 F HN 0.296 nan 8.300 nan 0.000 0.443 735 D N 2.477 122.925 120.400 0.080 0.000 2.735 735 D HA 0.149 4.791 4.640 0.003 0.000 0.291 735 D C 0.244 176.563 176.300 0.033 0.000 1.205 735 D CA -0.281 53.758 54.000 0.066 0.000 0.777 735 D CB 0.005 40.819 40.800 0.023 0.000 1.234 735 D HN 0.404 nan 8.370 nan 0.000 0.520 736 Y N 0.715 121.056 120.300 0.068 0.000 2.352 736 Y HA -0.101 4.450 4.550 0.003 0.000 0.292 736 Y C 1.933 177.835 175.900 0.003 0.000 1.136 736 Y CA 1.108 59.242 58.100 0.058 0.000 1.227 736 Y CB 0.105 38.587 38.460 0.036 0.000 0.991 736 Y HN 0.306 nan 8.280 nan 0.000 0.545 737 N N -0.452 118.245 118.700 -0.005 0.000 2.276 737 N HA -0.101 4.641 4.740 0.003 0.000 0.212 737 N C -0.241 174.825 175.510 -0.740 0.000 1.127 737 N CA -0.029 52.794 53.050 -0.378 0.000 0.834 737 N CB -1.550 36.758 38.487 -0.298 0.000 1.014 737 N HN 0.491 nan 8.380 nan 0.000 0.491 738 Y N -0.726 119.579 120.300 0.010 0.000 3.152 738 Y HA -0.326 4.225 4.550 0.003 0.000 0.212 738 Y C 0.075 175.959 175.900 -0.028 0.000 1.198 738 Y CA 0.314 58.404 58.100 -0.016 0.000 1.220 738 Y CB -3.117 35.325 38.460 -0.029 0.000 1.326 738 Y HN 0.347 nan 8.280 nan 0.000 0.562 739 N N 0.560 119.238 118.700 -0.037 0.000 2.230 739 N HA 0.314 5.055 4.740 0.003 0.000 0.202 739 N C 1.436 176.955 175.510 0.014 0.000 1.119 739 N CA 0.270 53.304 53.050 -0.026 0.000 0.851 739 N CB 0.494 38.931 38.487 -0.083 0.000 0.990 739 N HN 1.194 nan 8.380 nan 0.000 0.497 740 G N -0.073 108.746 108.800 0.033 0.000 2.162 740 G HA2 -0.239 3.723 3.960 0.003 0.000 0.260 740 G HA3 -0.239 3.723 3.960 0.003 0.000 0.260 740 G C -0.477 174.462 174.900 0.064 0.000 0.976 740 G CA 0.611 45.751 45.100 0.067 0.000 0.655 740 G HN 0.361 nan 8.290 nan 0.000 0.533 741 L N -0.718 120.518 121.223 0.022 0.000 2.341 741 L HA 0.577 4.919 4.340 0.003 0.000 0.267 741 L C 1.037 177.906 176.870 -0.003 0.000 1.009 741 L CA -1.367 53.483 54.840 0.017 0.000 0.819 741 L CB 1.640 43.689 42.059 -0.016 0.000 1.323 741 L HN 0.172 nan 8.230 nan 0.000 0.425 742 R N 1.406 121.892 120.500 -0.024 0.000 2.481 742 R HA -0.063 4.279 4.340 0.003 0.000 0.291 742 R C -0.751 175.501 176.300 -0.081 0.000 0.934 742 R CA -0.096 55.955 56.100 -0.081 0.000 1.116 742 R CB 0.145 30.326 30.300 -0.198 0.000 0.895 742 R HN 0.455 nan 8.270 nan 0.000 0.410 743 D N 4.316 124.695 120.400 -0.035 0.000 2.414 743 D HA 0.074 4.715 4.640 0.003 0.000 0.242 743 D C 0.723 176.973 176.300 -0.083 0.000 1.129 743 D CA -0.028 53.962 54.000 -0.017 0.000 0.885 743 D CB 0.633 41.483 40.800 0.083 0.000 1.198 743 D HN 0.464 nan 8.370 nan 0.000 0.437 744 I N -1.555 118.992 120.570 -0.038 0.000 3.021 744 I HA 0.197 4.368 4.170 0.003 0.000 0.303 744 I C 1.217 177.365 176.117 0.052 0.000 1.044 744 I CA -0.689 60.613 61.300 0.003 0.000 1.266 744 I CB 0.791 38.795 38.000 0.006 0.000 1.447 744 I HN 0.289 nan 8.210 nan 0.000 0.593 745 E N 1.033 121.295 120.200 0.105 0.000 2.097 745 E HA -0.291 4.061 4.350 0.003 0.000 0.196 745 E C 1.316 177.942 176.600 0.045 0.000 1.000 745 E CA 2.259 58.714 56.400 0.093 0.000 0.804 745 E CB -0.221 29.484 29.700 0.009 0.000 0.740 745 E HN 0.856 nan 8.360 nan 0.000 0.454 746 D N 0.622 121.037 120.400 0.024 0.000 2.265 746 D HA -0.162 4.480 4.640 0.003 0.000 0.208 746 D C 1.414 177.711 176.300 -0.004 0.000 0.977 746 D CA 1.001 55.008 54.000 0.011 0.000 0.871 746 D CB 0.079 40.881 40.800 0.004 0.000 0.925 746 D HN 0.207 nan 8.370 nan 0.000 0.485 747 E N -0.671 119.524 120.200 -0.008 0.000 2.385 747 E HA 0.100 4.452 4.350 0.003 0.000 0.194 747 E C 0.388 176.941 176.600 -0.077 0.000 1.013 747 E CA -0.167 56.223 56.400 -0.017 0.000 0.866 747 E CB 0.541 30.248 29.700 0.011 0.000 0.832 747 E HN 0.395 nan 8.360 nan 0.000 0.500 748 I N 1.976 122.466 120.570 -0.134 0.000 2.556 748 I HA -0.029 4.142 4.170 0.003 0.000 0.284 748 I C 1.112 176.869 176.117 -0.600 0.000 1.114 748 I CA 0.302 61.354 61.300 -0.414 0.000 1.418 748 I CB 0.655 38.471 38.000 -0.308 0.000 1.394 748 I HN -0.130 nan 8.210 nan 0.000 0.552 749 K N 4.873 124.569 120.400 -1.172 0.000 2.438 749 K HA 0.214 4.536 4.320 0.003 0.000 0.206 749 K C -0.130 176.190 176.600 -0.466 0.000 1.081 749 K CA 0.131 56.035 56.287 -0.637 0.000 1.053 749 K CB 0.829 33.063 32.500 -0.442 0.000 0.908 749 K HN 0.595 nan 8.250 nan 0.000 0.556 750 Q N -0.157 119.241 119.800 -0.669 0.000 2.331 750 Q HA 0.404 4.745 4.340 0.003 0.000 0.272 750 Q C -1.668 174.076 176.000 -0.426 0.000 1.062 750 Q CA -0.657 54.996 55.803 -0.251 0.000 0.806 750 Q CB 1.588 30.362 28.738 0.060 0.000 1.312 750 Q HN -0.051 nan 8.270 nan 0.000 0.431 751 Y N 0.360 120.676 120.300 0.027 0.000 2.576 751 Y HA 0.442 4.994 4.550 0.003 0.000 0.346 751 Y C -0.259 175.645 175.900 0.007 0.000 1.018 751 Y CA -1.023 57.094 58.100 0.028 0.000 1.050 751 Y CB 1.798 40.256 38.460 -0.003 0.000 1.280 751 Y HN 0.328 nan 8.280 nan 0.000 0.474 752 V N 1.580 121.575 119.914 0.135 0.000 2.673 752 V HA -0.069 4.052 4.120 0.003 0.000 0.303 752 V C 0.423 176.517 176.094 0.000 0.000 1.046 752 V CA -0.344 61.952 62.300 -0.007 0.000 1.126 752 V CB 0.654 32.350 31.823 -0.212 0.000 0.934 752 V HN 0.770 nan 8.190 nan 0.000 0.487 753 E N 3.356 123.552 120.200 -0.006 0.000 2.608 753 E HA 0.131 4.482 4.350 0.003 0.000 0.259 753 E C 1.274 177.862 176.600 -0.020 0.000 0.951 753 E CA 0.811 57.216 56.400 0.008 0.000 0.945 753 E CB 0.019 29.730 29.700 0.019 0.000 0.916 753 E HN 1.091 nan 8.360 nan 0.000 0.477 754 G N 2.921 111.715 108.800 -0.011 0.000 2.168 754 G HA2 -0.330 3.632 3.960 0.003 0.000 0.263 754 G HA3 -0.330 3.632 3.960 0.003 0.000 0.263 754 G C 0.128 175.001 174.900 -0.045 0.000 0.977 754 G CA 0.733 45.817 45.100 -0.026 0.000 0.659 754 G HN 0.984 nan 8.290 nan 0.000 0.533 755 S N -1.700 113.972 115.700 -0.047 0.000 2.811 755 S HA 0.795 5.267 4.470 0.003 0.000 0.311 755 S C 0.696 175.245 174.600 -0.086 0.000 1.152 755 S CA 0.672 58.838 58.200 -0.057 0.000 0.864 755 S CB 1.700 64.864 63.200 -0.060 0.000 1.226 755 S HN 1.430 nan 8.310 nan 0.000 0.541 756 S N -0.252 115.404 115.700 -0.073 0.000 2.588 756 S HA 0.404 4.876 4.470 0.003 0.000 0.245 756 S C -0.090 174.609 174.600 0.164 0.000 1.021 756 S CA -0.630 57.495 58.200 -0.125 0.000 1.006 756 S CB -0.957 62.139 63.200 -0.173 0.000 0.830 756 S HN 0.618 nan 8.310 nan 0.000 0.468 757 I N 4.365 125.054 120.570 0.198 0.000 2.363 757 I HA 0.280 4.451 4.170 0.003 0.000 0.292 757 I C -2.230 174.091 176.117 0.340 0.000 1.075 757 I CA -2.198 59.244 61.300 0.236 0.000 1.333 757 I CB 0.642 38.714 38.000 0.120 0.000 1.415 757 I HN 0.090 nan 8.210 nan 0.000 0.502 758 P HA 0.117 nan 4.420 nan 0.000 0.278 758 P C -0.578 176.912 177.300 0.317 0.000 1.238 758 P CA -0.206 62.980 63.100 0.143 0.000 0.794 758 P CB 1.494 33.253 31.700 0.099 0.000 0.955 759 V N 5.401 125.452 119.914 0.228 0.000 2.350 759 V HA 0.234 4.356 4.120 0.003 0.000 0.276 759 V C -2.020 174.158 176.094 0.140 0.000 1.028 759 V CA -2.018 60.404 62.300 0.203 0.000 0.860 759 V CB 0.834 32.736 31.823 0.131 0.000 0.990 759 V HN 0.520 nan 8.190 nan 0.000 0.453 760 P HA 0.095 nan 4.420 nan 0.000 0.268 760 P C 1.067 178.033 177.300 -0.556 0.000 1.205 760 P CA 0.088 62.569 63.100 -1.032 0.000 0.771 760 P CB 0.559 31.375 31.700 -1.473 0.000 0.858 761 T N -1.210 112.992 114.554 -0.587 0.000 3.043 761 T HA 0.026 4.377 4.350 0.003 0.000 0.263 761 T C 0.261 174.541 174.700 -0.700 0.000 1.094 761 T CA 0.922 62.699 62.100 -0.537 0.000 1.127 761 T CB -0.502 68.091 68.868 -0.459 0.000 0.905 761 T HN 0.449 nan 8.240 nan 0.000 0.490 762 H N -1.345 117.421 119.070 -0.507 0.000 3.016 762 H HA 0.607 5.165 4.556 0.003 0.000 0.362 762 H C -1.837 173.080 175.328 -0.685 0.000 1.233 762 H CA -0.999 54.805 56.048 -0.407 0.000 1.124 762 H CB 1.196 30.847 29.762 -0.185 0.000 1.850 762 H HN 0.140 nan 8.280 nan 0.000 0.549 763 Y N 0.851 121.051 120.300 -0.167 0.000 2.409 763 Y HA 0.335 4.887 4.550 0.003 0.000 0.343 763 Y C -0.726 175.210 175.900 0.059 0.000 0.973 763 Y CA -1.045 56.926 58.100 -0.216 0.000 1.064 763 Y CB 1.468 39.606 38.460 -0.536 0.000 1.207 763 Y HN 0.600 nan 8.280 nan 0.000 0.452 764 Y N -0.316 120.111 120.300 0.213 0.000 2.528 764 Y HA 0.840 5.392 4.550 0.003 0.000 0.335 764 Y C -0.564 175.527 175.900 0.318 0.000 1.093 764 Y CA -1.349 56.892 58.100 0.235 0.000 1.134 764 Y CB 1.921 40.477 38.460 0.159 0.000 1.253 764 Y HN 0.443 nan 8.280 nan 0.000 0.478 765 S N 2.371 118.354 115.700 0.473 0.000 2.546 765 S HA 0.686 5.157 4.470 0.003 0.000 0.272 765 S C -1.614 173.248 174.600 0.437 0.000 1.140 765 S CA -0.702 57.763 58.200 0.442 0.000 0.920 765 S CB 0.634 64.091 63.200 0.427 0.000 1.083 765 S HN 0.687 nan 8.310 nan 0.000 0.476 766 I N 4.952 125.716 120.570 0.324 0.000 2.410 766 I HA 0.479 4.651 4.170 0.003 0.000 0.286 766 I C -0.953 175.253 176.117 0.149 0.000 1.009 766 I CA -0.521 60.867 61.300 0.145 0.000 1.111 766 I CB 1.577 39.526 38.000 -0.085 0.000 1.262 766 I HN 0.529 nan 8.210 nan 0.000 0.443 767 I N 5.895 126.552 120.570 0.144 0.000 2.355 767 I HA 0.360 4.531 4.170 0.003 0.000 0.288 767 I C -0.279 175.886 176.117 0.080 0.000 0.999 767 I CA -0.174 61.210 61.300 0.139 0.000 1.163 767 I CB 1.664 39.773 38.000 0.183 0.000 1.316 767 I HN 0.461 nan 8.210 nan 0.000 0.454 768 T N 4.162 118.790 114.554 0.123 0.000 2.856 768 T HA 0.704 5.056 4.350 0.003 0.000 0.283 768 T C -0.130 174.658 174.700 0.146 0.000 1.008 768 T CA -0.701 61.464 62.100 0.108 0.000 0.997 768 T CB 1.845 70.791 68.868 0.130 0.000 0.992 768 T HN 0.736 nan 8.240 nan 0.000 0.454 769 S N 0.105 115.856 115.700 0.084 0.000 2.776 769 S HA 0.582 5.053 4.470 0.003 0.000 0.292 769 S C -0.742 173.900 174.600 0.070 0.000 1.187 769 S CA -0.932 57.330 58.200 0.104 0.000 0.834 769 S CB 0.843 64.091 63.200 0.080 0.000 1.199 769 S HN 0.839 nan 8.310 nan 0.000 0.514 770 c N 1.574 120.220 118.600 0.076 0.000 2.435 770 c HA 0.525 5.096 4.570 0.003 0.000 0.375 770 c C 1.939 176.041 174.090 0.020 0.000 1.281 770 c CA -0.577 55.778 56.329 0.044 0.000 1.963 770 c CB -0.494 42.044 42.510 0.047 0.000 2.490 770 c HN 0.858 nan 8.230 nan 0.000 0.557 771 L N 3.631 124.837 121.223 -0.028 0.000 2.042 771 L HA 0.014 4.356 4.340 0.003 0.000 0.210 771 L C 1.180 178.025 176.870 -0.042 0.000 1.076 771 L CA 1.897 56.713 54.840 -0.040 0.000 0.749 771 L CB -0.498 41.510 42.059 -0.085 0.000 0.893 771 L HN 0.790 nan 8.230 nan 0.000 0.432 772 D N -0.506 119.833 120.400 -0.101 0.000 2.383 772 D HA -0.048 4.594 4.640 0.003 0.000 0.245 772 D C 1.224 177.409 176.300 -0.193 0.000 1.263 772 D CA -0.302 53.556 54.000 -0.238 0.000 0.936 772 D CB 0.094 40.780 40.800 -0.189 0.000 1.053 772 D HN 0.298 nan 8.370 nan 0.000 0.507 773 F N 1.396 121.345 119.950 -0.002 0.000 2.408 773 F HA -0.061 4.467 4.527 0.003 0.000 0.300 773 F C 2.159 177.966 175.800 0.013 0.000 1.090 773 F CA 0.837 58.840 58.000 0.006 0.000 1.427 773 F CB -1.477 37.528 39.000 0.008 0.000 1.070 773 F HN 0.286 nan 8.300 nan 0.000 0.549 774 T N -2.183 112.300 114.554 -0.118 0.000 3.007 774 T HA -0.064 4.288 4.350 0.003 0.000 0.270 774 T C 0.676 175.386 174.700 0.016 0.000 1.107 774 T CA 0.428 62.523 62.100 -0.007 0.000 1.118 774 T CB -0.462 68.349 68.868 -0.095 0.000 0.889 774 T HN 0.516 nan 8.240 nan 0.000 0.506 775 Q N 2.099 121.899 119.800 -0.000 0.000 2.241 775 Q HA 0.414 4.755 4.340 0.003 0.000 0.254 775 Q C -2.830 173.200 176.000 0.050 0.000 0.917 775 Q CA -2.637 53.176 55.803 0.018 0.000 0.919 775 Q CB 1.477 30.214 28.738 -0.001 0.000 1.237 775 Q HN 0.225 nan 8.270 nan 0.000 0.434 776 P HA -0.023 nan 4.420 nan 0.000 0.271 776 P C 0.012 177.352 177.300 0.066 0.000 1.218 776 P CA 0.175 63.312 63.100 0.062 0.000 0.780 776 P CB 0.695 32.425 31.700 0.049 0.000 0.901 777 A N 3.246 126.115 122.820 0.083 0.000 1.927 777 A HA -0.255 4.066 4.320 0.003 0.000 0.220 777 A C 1.572 179.204 177.584 0.079 0.000 1.185 777 A CA 2.479 54.577 52.037 0.102 0.000 0.639 777 A CB -1.409 17.664 19.000 0.122 0.000 0.820 777 A HN 0.680 nan 8.150 nan 0.000 0.451 778 D N -1.540 118.887 120.400 0.045 0.000 2.355 778 D HA 0.205 4.847 4.640 0.003 0.000 0.218 778 D C 0.818 177.124 176.300 0.009 0.000 1.004 778 D CA 1.312 55.316 54.000 0.007 0.000 0.880 778 D CB -0.302 40.491 40.800 -0.013 0.000 0.911 778 D HN 0.414 nan 8.370 nan 0.000 0.528 779 K N 0.105 120.520 120.400 0.025 0.000 3.202 779 K HA 0.406 4.728 4.320 0.003 0.000 0.206 779 K C -0.313 176.303 176.600 0.027 0.000 1.142 779 K CA -0.460 55.840 56.287 0.020 0.000 0.979 779 K CB -0.805 31.705 32.500 0.016 0.000 0.863 779 K HN 0.299 nan 8.250 nan 0.000 0.479 780 c N 1.831 120.456 118.600 0.042 0.000 2.394 780 c HA 0.354 4.925 4.570 0.003 0.000 0.362 780 c C 0.740 174.850 174.090 0.034 0.000 1.268 780 c CA -0.303 56.052 56.329 0.043 0.000 1.828 780 c CB -0.382 42.173 42.510 0.075 0.000 2.442 780 c HN 0.740 nan 8.230 nan 0.000 0.549 781 D N 2.796 123.205 120.400 0.014 0.000 2.213 781 D HA 0.139 4.781 4.640 0.003 0.000 0.205 781 D C 1.233 177.537 176.300 0.006 0.000 0.961 781 D CA 1.217 55.222 54.000 0.009 0.000 0.853 781 D CB 0.364 41.162 40.800 -0.003 0.000 0.967 781 D HN 0.826 nan 8.370 nan 0.000 0.496 782 G N -0.069 108.728 108.800 -0.004 0.000 3.264 782 G HA2 0.434 4.395 3.960 0.003 0.000 0.168 782 G HA3 0.434 4.395 3.960 0.003 0.000 0.168 782 G C -2.560 172.323 174.900 -0.029 0.000 1.145 782 G CA -0.637 44.452 45.100 -0.019 0.000 0.855 782 G HN -0.101 nan 8.290 nan 0.000 0.629 783 P HA 0.314 nan 4.420 nan 0.000 0.269 783 P C -0.431 176.810 177.300 -0.097 0.000 1.215 783 P CA -0.002 63.044 63.100 -0.089 0.000 0.780 783 P CB 0.643 32.280 31.700 -0.105 0.000 0.898 784 L N 0.624 121.756 121.223 -0.152 0.000 2.358 784 L HA 0.562 4.904 4.340 0.003 0.000 0.268 784 L C 0.651 177.395 176.870 -0.211 0.000 1.032 784 L CA -0.549 54.188 54.840 -0.172 0.000 0.805 784 L CB 1.388 43.276 42.059 -0.285 0.000 1.253 784 L HN 0.317 nan 8.230 nan 0.000 0.452 785 S N 0.801 116.395 115.700 -0.176 0.000 2.502 785 S HA 0.676 5.147 4.470 0.003 0.000 0.304 785 S C -1.218 173.263 174.600 -0.198 0.000 1.097 785 S CA -0.537 57.532 58.200 -0.218 0.000 1.045 785 S CB 1.705 64.820 63.200 -0.141 0.000 1.019 785 S HN 0.383 nan 8.310 nan 0.000 0.481 786 V N 4.453 124.222 119.914 -0.242 0.000 2.841 786 V HA 0.900 5.022 4.120 0.003 0.000 0.310 786 V C -0.900 175.157 176.094 -0.061 0.000 1.090 786 V CA -0.243 61.987 62.300 -0.116 0.000 0.930 786 V CB 2.318 34.102 31.823 -0.065 0.000 1.014 786 V HN 1.121 nan 8.190 nan 0.000 0.425 787 S N 4.062 119.706 115.700 -0.094 0.000 2.536 787 S HA 0.918 5.390 4.470 0.003 0.000 0.287 787 S C -0.793 173.691 174.600 -0.193 0.000 1.101 787 S CA -0.611 57.493 58.200 -0.161 0.000 0.950 787 S CB 2.041 65.032 63.200 -0.349 0.000 1.056 787 S HN 0.897 nan 8.310 nan 0.000 0.481 788 S N 0.752 116.247 115.700 -0.342 0.000 2.651 788 S HA 0.871 5.343 4.470 0.003 0.000 0.279 788 S C -1.609 172.647 174.600 -0.574 0.000 1.148 788 S CA -0.740 57.304 58.200 -0.260 0.000 0.837 788 S CB 0.800 63.971 63.200 -0.047 0.000 1.138 788 S HN 0.679 nan 8.310 nan 0.000 0.478 789 F N 0.261 120.318 119.950 0.179 0.000 2.613 789 F HA 0.633 5.162 4.527 0.003 0.000 0.310 789 F C -0.661 175.257 175.800 0.197 0.000 1.085 789 F CA -0.854 57.254 58.000 0.180 0.000 0.945 789 F CB 1.318 40.406 39.000 0.147 0.000 1.298 789 F HN 0.310 nan 8.300 nan 0.000 0.455 790 I N 3.764 124.563 120.570 0.382 0.000 2.495 790 I HA 0.294 4.466 4.170 0.003 0.000 0.277 790 I C -1.182 175.134 176.117 0.330 0.000 1.045 790 I CA -0.240 61.238 61.300 0.298 0.000 1.135 790 I CB 0.953 39.029 38.000 0.127 0.000 1.241 790 I HN 0.319 nan 8.210 nan 0.000 0.469 791 L N 7.632 129.054 121.223 0.331 0.000 2.305 791 L HA 0.444 4.786 4.340 0.003 0.000 0.281 791 L C -2.152 174.853 176.870 0.225 0.000 1.085 791 L CA -1.847 53.154 54.840 0.268 0.000 0.813 791 L CB 0.561 42.857 42.059 0.395 0.000 1.157 791 L HN 0.224 nan 8.230 nan 0.000 0.436 792 P HA -0.006 nan 4.420 nan 0.000 0.276 792 P C -0.939 176.298 177.300 -0.106 0.000 1.230 792 P CA 0.047 63.018 63.100 -0.215 0.000 0.776 792 P CB 0.437 32.000 31.700 -0.228 0.000 0.888 793 H N 4.806 123.591 119.070 -0.474 0.000 2.787 793 H HA 0.298 4.856 4.556 0.003 0.000 0.275 793 H C -0.334 174.902 175.328 -0.154 0.000 1.183 793 H CA -0.543 55.240 56.048 -0.442 0.000 1.290 793 H CB 0.231 29.625 29.762 -0.613 0.000 1.438 793 H HN 0.295 nan 8.280 nan 0.000 0.487 794 R N 4.388 124.855 120.500 -0.054 0.000 2.740 794 R HA 0.213 4.555 4.340 0.003 0.000 0.282 794 R C -1.960 174.169 176.300 -0.284 0.000 0.969 794 R CA -1.935 54.036 56.100 -0.215 0.000 0.918 794 R CB 1.786 31.929 30.300 -0.261 0.000 1.175 794 R HN 0.506 nan 8.270 nan 0.000 0.464 795 P HA -0.029 nan 4.420 nan 0.000 0.245 795 P C -0.967 176.084 177.300 -0.415 0.000 1.212 795 P CA 0.772 63.258 63.100 -1.024 0.000 0.774 795 P CB 0.172 31.142 31.700 -1.217 0.000 0.999 796 D N -2.294 117.945 120.400 -0.268 0.000 2.579 796 D HA 0.192 4.834 4.640 0.003 0.000 0.257 796 D C -0.094 176.120 176.300 -0.144 0.000 1.176 796 D CA -0.862 53.031 54.000 -0.178 0.000 0.914 796 D CB -0.060 40.631 40.800 -0.182 0.000 1.431 796 D HN -0.367 nan 8.370 nan 0.000 0.454 797 N N 0.062 118.664 118.700 -0.164 0.000 2.453 797 N HA 0.086 4.828 4.740 0.003 0.000 0.270 797 N C -0.334 175.023 175.510 -0.256 0.000 1.195 797 N CA -0.031 52.894 53.050 -0.207 0.000 0.902 797 N CB 0.488 38.766 38.487 -0.348 0.000 1.186 797 N HN 0.361 nan 8.380 nan 0.000 0.510 798 D N 0.788 121.059 120.400 -0.214 0.000 2.218 798 D HA -0.169 4.473 4.640 0.003 0.000 0.204 798 D C 1.644 177.812 176.300 -0.220 0.000 0.976 798 D CA 0.873 54.746 54.000 -0.211 0.000 0.853 798 D CB 0.262 40.955 40.800 -0.178 0.000 0.939 798 D HN 0.496 nan 8.370 nan 0.000 0.481 799 E N 0.077 120.153 120.200 -0.206 0.000 2.153 799 E HA -0.083 4.268 4.350 0.003 0.000 0.194 799 E C -0.117 176.393 176.600 -0.149 0.000 0.988 799 E CA 0.589 56.874 56.400 -0.192 0.000 0.811 799 E CB 0.237 29.881 29.700 -0.092 0.000 0.746 799 E HN -0.026 nan 8.360 nan 0.000 0.466 800 S N 0.067 115.661 115.700 -0.177 0.000 2.434 800 S HA 0.114 4.586 4.470 0.003 0.000 0.318 800 S C 0.482 174.904 174.600 -0.297 0.000 1.062 800 S CA -0.795 57.295 58.200 -0.184 0.000 1.116 800 S CB 1.183 64.269 63.200 -0.190 0.000 0.977 800 S HN 0.304 nan 8.310 nan 0.000 0.480 801 c N 2.866 121.337 118.600 -0.216 0.000 2.419 801 c HA -0.057 4.515 4.570 0.003 0.000 0.283 801 c C 1.769 175.709 174.090 -0.250 0.000 1.373 801 c CA 0.554 56.748 56.329 -0.225 0.000 1.781 801 c CB -1.481 40.917 42.510 -0.188 0.000 1.886 801 c HN 0.832 nan 8.230 nan 0.000 0.520 802 N N 0.426 118.971 118.700 -0.259 0.000 2.251 802 N HA -0.010 4.732 4.740 0.003 0.000 0.217 802 N C 1.359 176.558 175.510 -0.519 0.000 1.124 802 N CA 0.213 53.113 53.050 -0.250 0.000 0.843 802 N CB 0.157 38.595 38.487 -0.082 0.000 1.024 802 N HN 0.548 nan 8.380 nan 0.000 0.501 803 S N -0.596 114.564 115.700 -0.900 0.000 2.555 803 S HA -0.103 4.369 4.470 0.003 0.000 0.230 803 S C 1.879 176.002 174.600 -0.797 0.000 0.978 803 S CA 0.602 57.758 58.200 -1.739 0.000 0.934 803 S CB -0.248 61.868 63.200 -1.807 0.000 0.766 803 S HN 0.310 nan 8.310 nan 0.000 0.533 804 S N 0.659 116.101 115.700 -0.430 0.000 2.489 804 S HA 0.083 4.554 4.470 0.003 0.000 0.228 804 S C 0.561 175.100 174.600 -0.101 0.000 0.995 804 S CA -0.294 57.777 58.200 -0.214 0.000 0.934 804 S CB -0.352 62.749 63.200 -0.165 0.000 0.771 804 S HN 0.677 nan 8.310 nan 0.000 0.522 805 E N 1.428 121.581 120.200 -0.079 0.000 2.385 805 E HA 0.260 4.612 4.350 0.003 0.000 0.254 805 E C -0.699 176.015 176.600 0.189 0.000 1.228 805 E CA -0.639 55.790 56.400 0.048 0.000 0.956 805 E CB 0.225 29.961 29.700 0.061 0.000 1.116 805 E HN 0.302 nan 8.360 nan 0.000 0.507 806 D N -0.026 120.443 120.400 0.114 0.000 2.423 806 D HA -0.060 4.582 4.640 0.003 0.000 0.238 806 D C 0.456 176.732 176.300 -0.040 0.000 1.142 806 D CA 0.210 54.241 54.000 0.051 0.000 0.884 806 D CB 0.751 41.539 40.800 -0.021 0.000 1.199 806 D HN 0.263 nan 8.370 nan 0.000 0.438 807 E N 0.670 120.691 120.200 -0.298 0.000 2.187 807 E HA -0.217 4.134 4.350 0.003 0.000 0.199 807 E C 1.859 177.741 176.600 -1.196 0.000 1.004 807 E CA 1.525 57.310 56.400 -1.024 0.000 0.813 807 E CB -0.192 28.869 29.700 -1.065 0.000 0.736 807 E HN 0.521 nan 8.360 nan 0.000 0.468 808 S N -0.247 115.014 115.700 -0.732 0.000 2.547 808 S HA -0.062 4.409 4.470 0.003 0.000 0.235 808 S C 1.377 175.818 174.600 -0.265 0.000 0.980 808 S CA 0.605 58.533 58.200 -0.454 0.000 0.941 808 S CB 0.066 63.190 63.200 -0.126 0.000 0.763 808 S HN 0.021 nan 8.310 nan 0.000 0.532 809 K N 0.247 120.519 120.400 -0.214 0.000 2.358 809 K HA 0.198 4.520 4.320 0.003 0.000 0.200 809 K C 1.041 177.689 176.600 0.080 0.000 1.030 809 K CA 0.341 56.615 56.287 -0.022 0.000 1.097 809 K CB 0.183 32.728 32.500 0.076 0.000 0.862 809 K HN 0.870 nan 8.250 nan 0.000 0.534 810 W N -1.975 119.214 121.300 -0.185 0.000 2.166 810 W HA 0.129 4.791 4.660 0.003 0.000 0.196 810 W C 0.757 177.186 176.519 -0.150 0.000 0.895 810 W CA -0.082 57.175 57.345 -0.147 0.000 1.069 810 W CB -0.532 28.847 29.460 -0.134 0.000 0.798 810 W HN -0.265 nan 8.180 nan 0.000 0.647 811 V N 2.676 122.073 119.914 -0.861 0.000 2.358 811 V HA -0.256 3.866 4.120 0.003 0.000 0.246 811 V C 2.406 178.331 176.094 -0.281 0.000 1.047 811 V CA 2.663 64.514 62.300 -0.749 0.000 1.035 811 V CB -0.703 30.524 31.823 -0.994 0.000 0.658 811 V HN 0.096 nan 8.190 nan 0.000 0.452 812 E N -0.148 119.933 120.200 -0.199 0.000 2.110 812 E HA -0.280 4.071 4.350 0.003 0.000 0.193 812 E C 2.256 178.820 176.600 -0.060 0.000 0.988 812 E CA 1.366 57.720 56.400 -0.077 0.000 0.804 812 E CB -0.108 29.589 29.700 -0.005 0.000 0.745 812 E HN 0.720 nan 8.360 nan 0.000 0.458 813 E N 0.883 121.067 120.200 -0.026 0.000 2.085 813 E HA -0.225 4.127 4.350 0.003 0.000 0.194 813 E C 2.191 178.828 176.600 0.061 0.000 0.994 813 E CA 0.768 57.179 56.400 0.020 0.000 0.801 813 E CB -0.002 29.731 29.700 0.055 0.000 0.743 813 E HN 0.122 nan 8.360 nan 0.000 0.453 814 L N 0.493 121.776 121.223 0.101 0.000 2.056 814 L HA -0.127 4.215 4.340 0.003 0.000 0.207 814 L C 2.290 179.280 176.870 0.201 0.000 1.078 814 L CA 1.727 56.680 54.840 0.189 0.000 0.749 814 L CB -0.319 41.869 42.059 0.215 0.000 0.901 814 L HN 0.228 nan 8.230 nan 0.000 0.433 815 M N -0.785 118.849 119.600 0.058 0.000 2.117 815 M HA -0.220 4.262 4.480 0.003 0.000 0.262 815 M C 2.184 178.607 176.300 0.204 0.000 1.065 815 M CA 1.780 57.102 55.300 0.038 0.000 1.114 815 M CB -0.351 32.064 32.600 -0.307 0.000 1.361 815 M HN 0.161 nan 8.290 nan 0.000 0.408 816 K N -0.197 120.204 120.400 0.001 0.000 2.103 816 K HA -0.187 4.135 4.320 0.003 0.000 0.207 816 K C 1.883 178.512 176.600 0.048 0.000 1.048 816 K CA 1.380 57.570 56.287 -0.161 0.000 0.930 816 K CB -0.296 32.013 32.500 -0.318 0.000 0.716 816 K HN 0.198 nan 8.250 nan 0.000 0.444 817 M N 0.348 119.983 119.600 0.058 0.000 2.374 817 M HA -0.099 4.383 4.480 0.003 0.000 0.264 817 M C 0.862 177.047 176.300 -0.192 0.000 1.067 817 M CA 1.697 56.964 55.300 -0.055 0.000 1.103 817 M CB 0.056 32.624 32.600 -0.053 0.000 1.402 817 M HN 0.109 nan 8.290 nan 0.000 0.444 818 H N -0.859 118.308 119.070 0.162 0.000 2.486 818 H HA 0.211 4.768 4.556 0.003 0.000 0.284 818 H C 0.215 175.695 175.328 0.254 0.000 1.103 818 H CA 0.002 56.162 56.048 0.187 0.000 1.089 818 H CB -0.279 29.610 29.762 0.212 0.000 1.603 818 H HN 0.220 nan 8.280 nan 0.000 0.557 819 T N 1.097 115.824 114.554 0.289 0.000 2.855 819 T HA 0.343 4.694 4.350 0.003 0.000 0.322 819 T C 0.177 174.912 174.700 0.059 0.000 1.088 819 T CA 0.014 62.203 62.100 0.149 0.000 1.104 819 T CB 0.392 69.389 68.868 0.216 0.000 0.996 819 T HN 0.510 nan 8.240 nan 0.000 0.549 820 A N 3.639 126.444 122.820 -0.025 0.000 2.609 820 A HA 0.725 5.046 4.320 0.003 0.000 0.291 820 A C -0.687 176.885 177.584 -0.020 0.000 1.096 820 A CA -0.984 51.053 52.037 -0.001 0.000 0.684 820 A CB 1.359 20.383 19.000 0.039 0.000 1.282 820 A HN 0.864 nan 8.150 nan 0.000 0.412 821 R N 0.195 120.706 120.500 0.018 0.000 2.500 821 R HA 0.433 4.774 4.340 0.003 0.000 0.275 821 R C 0.797 177.111 176.300 0.024 0.000 1.051 821 R CA -0.668 55.451 56.100 0.032 0.000 1.088 821 R CB 1.023 31.365 30.300 0.069 0.000 1.063 821 R HN 0.400 nan 8.270 nan 0.000 0.511 822 V N 1.894 121.828 119.914 0.033 0.000 2.392 822 V HA -0.250 3.871 4.120 0.003 0.000 0.249 822 V C 2.364 178.465 176.094 0.011 0.000 1.059 822 V CA 1.873 64.173 62.300 -0.000 0.000 1.051 822 V CB -0.568 31.298 31.823 0.072 0.000 0.658 822 V HN 0.630 nan 8.190 nan 0.000 0.455 823 R N 0.696 121.204 120.500 0.013 0.000 2.105 823 R HA -0.159 4.183 4.340 0.003 0.000 0.239 823 R C 1.896 178.056 176.300 -0.233 0.000 1.135 823 R CA 1.760 57.801 56.100 -0.099 0.000 0.967 823 R CB -0.714 29.553 30.300 -0.055 0.000 0.861 823 R HN 0.545 nan 8.270 nan 0.000 0.442 824 D N -0.126 120.260 120.400 -0.023 0.000 2.117 824 D HA -0.150 4.491 4.640 0.003 0.000 0.197 824 D C 1.915 178.231 176.300 0.027 0.000 0.987 824 D CA 1.562 55.623 54.000 0.100 0.000 0.829 824 D CB -0.147 40.733 40.800 0.135 0.000 0.961 824 D HN 0.313 nan 8.370 nan 0.000 0.460 825 I N 1.212 121.764 120.570 -0.030 0.000 2.286 825 I HA -0.223 3.949 4.170 0.003 0.000 0.248 825 I C 2.296 178.395 176.117 -0.029 0.000 1.115 825 I CA 1.037 62.283 61.300 -0.090 0.000 1.392 825 I CB -0.204 37.660 38.000 -0.227 0.000 1.065 825 I HN -0.020 nan 8.210 nan 0.000 0.418 826 E N 0.072 120.281 120.200 0.015 0.000 2.077 826 E HA -0.247 4.104 4.350 0.003 0.000 0.193 826 E C 2.071 178.680 176.600 0.015 0.000 0.989 826 E CA 1.493 57.905 56.400 0.021 0.000 0.800 826 E CB -0.271 29.425 29.700 -0.006 0.000 0.746 826 E HN 0.658 nan 8.360 nan 0.000 0.452 827 H N 0.306 119.416 119.070 0.065 0.000 2.352 827 H HA -0.097 4.460 4.556 0.003 0.000 0.299 827 H C 2.106 177.442 175.328 0.014 0.000 1.097 827 H CA 0.916 56.992 56.048 0.047 0.000 1.311 827 H CB 0.008 29.815 29.762 0.074 0.000 1.377 827 H HN 0.066 nan 8.280 nan 0.000 0.504 828 L N 0.295 121.591 121.223 0.122 0.000 2.478 828 L HA -0.053 4.289 4.340 0.003 0.000 0.223 828 L C 1.931 178.804 176.870 0.004 0.000 1.140 828 L CA 1.237 56.101 54.840 0.039 0.000 0.842 828 L CB 0.094 42.148 42.059 -0.008 0.000 0.953 828 L HN 0.481 nan 8.230 nan 0.000 0.452 829 T N -6.177 108.380 114.554 0.005 0.000 2.975 829 T HA 0.226 4.578 4.350 0.003 0.000 0.261 829 T C 1.426 176.144 174.700 0.030 0.000 0.984 829 T CA 0.414 62.521 62.100 0.012 0.000 0.911 829 T CB 0.772 69.657 68.868 0.028 0.000 1.127 829 T HN 0.231 nan 8.240 nan 0.000 0.514 830 G N 1.882 110.700 108.800 0.031 0.000 2.203 830 G HA2 -0.219 3.742 3.960 0.003 0.000 0.263 830 G HA3 -0.219 3.742 3.960 0.003 0.000 0.263 830 G C -0.100 174.870 174.900 0.117 0.000 1.012 830 G CA 0.620 45.789 45.100 0.115 0.000 0.749 830 G HN 0.677 nan 8.290 nan 0.000 0.512 831 L N -0.565 120.629 121.223 -0.048 0.000 2.344 831 L HA 0.678 5.020 4.340 0.003 0.000 0.272 831 L C -0.115 176.491 176.870 -0.440 0.000 1.035 831 L CA -0.937 53.715 54.840 -0.313 0.000 0.807 831 L CB 1.660 43.364 42.059 -0.592 0.000 1.237 831 L HN 0.121 nan 8.230 nan 0.000 0.442 832 D N 0.664 120.773 120.400 -0.486 0.000 2.481 832 D HA 0.476 5.118 4.640 0.003 0.000 0.246 832 D C -0.986 175.069 176.300 -0.408 0.000 1.109 832 D CA -0.227 53.587 54.000 -0.310 0.000 0.845 832 D CB 0.930 41.675 40.800 -0.092 0.000 1.160 832 D HN 0.078 nan 8.370 nan 0.000 0.534 833 F N 2.347 122.253 119.950 -0.073 0.000 2.411 833 F HA 0.334 4.863 4.527 0.002 0.000 0.324 833 F C 0.261 176.023 175.800 -0.063 0.000 1.086 833 F CA -0.656 57.216 58.000 -0.213 0.000 1.028 833 F CB 0.594 39.329 39.000 -0.442 0.000 1.284 833 F HN 0.314 nan 8.300 nan 0.000 0.501 834 Y N -0.701 119.743 120.300 0.240 0.000 3.589 834 Y HA -0.237 4.315 4.550 0.004 0.000 0.218 834 Y C 1.312 177.291 175.900 0.132 0.000 1.234 834 Y CA -0.234 57.963 58.100 0.162 0.000 1.576 834 Y CB -2.016 36.489 38.460 0.075 0.000 1.487 834 Y HN 0.481 nan 8.280 nan 0.000 0.616 835 R N 0.142 120.753 120.500 0.184 0.000 2.240 835 R HA 0.046 4.387 4.340 0.003 0.000 0.203 835 R C 0.256 176.609 176.300 0.088 0.000 1.011 835 R CA 0.747 56.901 56.100 0.091 0.000 1.007 835 R CB 0.177 30.491 30.300 0.023 0.000 0.911 835 R HN 0.001 nan 8.270 nan 0.000 0.468 836 K N 1.507 121.991 120.400 0.142 0.000 2.530 836 K HA 0.190 4.511 4.320 0.003 0.000 0.230 836 K C -0.474 176.231 176.600 0.175 0.000 1.002 836 K CA -0.089 56.271 56.287 0.123 0.000 1.014 836 K CB 1.641 34.199 32.500 0.097 0.000 1.286 836 K HN 0.085 nan 8.250 nan 0.000 0.480 837 T N -2.976 111.671 114.554 0.156 0.000 2.778 837 T HA 0.291 4.642 4.350 0.003 0.000 0.293 837 T C 0.773 175.534 174.700 0.101 0.000 1.144 837 T CA -0.607 61.593 62.100 0.168 0.000 1.010 837 T CB 1.311 70.292 68.868 0.189 0.000 1.325 837 T HN 0.138 nan 8.240 nan 0.000 0.515 838 S N -0.652 115.100 115.700 0.086 0.000 2.577 838 S HA 0.286 4.758 4.470 0.003 0.000 0.219 838 S C 0.529 175.153 174.600 0.040 0.000 0.962 838 S CA -0.766 57.466 58.200 0.053 0.000 0.921 838 S CB -0.302 62.924 63.200 0.044 0.000 0.789 838 S HN 0.606 nan 8.310 nan 0.000 0.497 839 R N 2.349 122.875 120.500 0.043 0.000 2.674 839 R HA 0.524 4.866 4.340 0.003 0.000 0.266 839 R C 0.459 176.788 176.300 0.048 0.000 1.016 839 R CA -0.417 55.698 56.100 0.025 0.000 1.062 839 R CB 0.456 30.752 30.300 -0.006 0.000 1.142 839 R HN 0.429 nan 8.270 nan 0.000 0.517 840 S N 0.180 115.905 115.700 0.042 0.000 2.584 840 S HA -0.041 4.431 4.470 0.003 0.000 0.270 840 S C 1.014 175.698 174.600 0.140 0.000 1.346 840 S CA -0.391 57.853 58.200 0.074 0.000 1.018 840 S CB 0.307 63.537 63.200 0.049 0.000 0.899 840 S HN 0.590 nan 8.310 nan 0.000 0.542 841 Y N 2.450 122.755 120.300 0.008 0.000 2.224 841 Y HA -0.071 4.481 4.550 0.003 0.000 0.289 841 Y C 2.561 178.475 175.900 0.025 0.000 1.146 841 Y CA 1.562 59.674 58.100 0.020 0.000 1.182 841 Y CB -1.141 37.331 38.460 0.019 0.000 0.983 841 Y HN 0.778 nan 8.280 nan 0.000 0.524 842 S N 0.181 115.888 115.700 0.011 0.000 2.370 842 S HA -0.218 4.254 4.470 0.003 0.000 0.226 842 S C 1.842 176.416 174.600 -0.043 0.000 1.033 842 S CA 1.639 59.804 58.200 -0.059 0.000 1.011 842 S CB -0.278 62.925 63.200 0.005 0.000 0.852 842 S HN 0.580 nan 8.310 nan 0.000 0.457 843 E N 0.484 120.670 120.200 -0.024 0.000 2.110 843 E HA -0.104 4.247 4.350 0.003 0.000 0.193 843 E C 1.874 178.421 176.600 -0.088 0.000 0.988 843 E CA 0.857 57.217 56.400 -0.067 0.000 0.804 843 E CB -0.137 29.524 29.700 -0.064 0.000 0.745 843 E HN 0.349 nan 8.360 nan 0.000 0.458 844 I N 0.985 121.529 120.570 -0.043 0.000 2.315 844 I HA -0.214 3.958 4.170 0.003 0.000 0.248 844 I C 2.297 178.381 176.117 -0.055 0.000 1.117 844 I CA 1.168 62.436 61.300 -0.054 0.000 1.404 844 I CB -0.879 37.187 38.000 0.109 0.000 1.071 844 I HN 0.183 nan 8.210 nan 0.000 0.419 845 L N 0.087 121.252 121.223 -0.096 0.000 2.046 845 L HA -0.215 4.127 4.340 0.003 0.000 0.208 845 L C 2.524 179.373 176.870 -0.034 0.000 1.077 845 L CA 1.509 56.288 54.840 -0.103 0.000 0.747 845 L CB -1.013 40.918 42.059 -0.213 0.000 0.896 845 L HN 0.221 nan 8.230 nan 0.000 0.432 846 T N 0.378 114.913 114.554 -0.033 0.000 2.720 846 T HA -0.235 4.117 4.350 0.003 0.000 0.268 846 T C 1.851 176.544 174.700 -0.012 0.000 1.037 846 T CA 1.495 63.593 62.100 -0.003 0.000 1.144 846 T CB -0.337 68.494 68.868 -0.063 0.000 0.864 846 T HN 0.140 nan 8.240 nan 0.000 0.444 847 L N 1.094 122.263 121.223 -0.089 0.000 2.042 847 L HA -0.057 4.285 4.340 0.003 0.000 0.210 847 L C 2.200 179.054 176.870 -0.028 0.000 1.076 847 L CA 1.815 56.573 54.840 -0.136 0.000 0.749 847 L CB -0.399 41.462 42.059 -0.331 0.000 0.893 847 L HN 0.102 nan 8.230 nan 0.000 0.432 848 K N -1.268 119.136 120.400 0.007 0.000 2.283 848 K HA -0.075 4.247 4.320 0.003 0.000 0.202 848 K C 1.681 178.336 176.600 0.092 0.000 1.048 848 K CA 1.524 57.864 56.287 0.089 0.000 0.948 848 K CB -0.244 32.330 32.500 0.124 0.000 0.742 848 K HN 0.602 nan 8.250 nan 0.000 0.458 849 T N -2.364 112.246 114.554 0.092 0.000 3.081 849 T HA -0.039 4.313 4.350 0.003 0.000 0.250 849 T C 0.481 175.258 174.700 0.129 0.000 1.100 849 T CA -0.390 61.773 62.100 0.105 0.000 1.038 849 T CB -0.336 68.591 68.868 0.100 0.000 0.962 849 T HN 0.088 nan 8.240 nan 0.000 0.516 850 Y N 1.916 122.227 120.300 0.019 0.000 2.610 850 Y HA 0.419 4.971 4.550 0.003 0.000 0.332 850 Y C -0.324 175.592 175.900 0.027 0.000 1.201 850 Y CA -1.547 56.562 58.100 0.016 0.000 1.465 850 Y CB 0.338 38.785 38.460 -0.022 0.000 1.283 850 Y HN 0.204 nan 8.280 nan 0.000 0.563 851 L N 7.054 127.826 121.223 -0.752 0.000 2.349 851 L HA 0.313 4.654 4.340 0.003 0.000 0.278 851 L C -1.538 174.797 176.870 -0.892 0.000 0.996 851 L CA -0.706 53.797 54.840 -0.563 0.000 0.825 851 L CB 0.895 42.814 42.059 -0.234 0.000 1.243 851 L HN 0.752 nan 8.230 nan 0.000 0.412 852 H N 2.156 120.817 119.070 -0.680 0.000 2.934 852 H HA 0.254 4.811 4.556 0.002 0.000 0.273 852 H C 1.055 176.154 175.328 -0.381 0.000 1.121 852 H CA 0.804 56.544 56.048 -0.513 0.000 1.451 852 H CB 0.921 30.479 29.762 -0.340 0.000 1.469 852 H HN 0.802 nan 8.280 nan 0.000 0.476 853 T N 0.882 115.105 114.554 -0.552 0.000 3.054 853 T HA -0.060 4.292 4.350 0.003 0.000 0.259 853 T C 0.420 175.085 174.700 -0.059 0.000 1.092 853 T CA 0.306 62.282 62.100 -0.207 0.000 1.121 853 T CB -0.255 68.543 68.868 -0.117 0.000 0.912 853 T HN 0.711 nan 8.240 nan 0.000 0.489 854 Y N 1.144 121.268 120.300 -0.293 0.000 3.929 854 Y HA -0.170 4.382 4.550 0.003 0.000 0.225 854 Y C 0.507 176.368 175.900 -0.064 0.000 1.200 854 Y CA 0.236 58.258 58.100 -0.131 0.000 1.791 854 Y CB -2.505 35.955 38.460 0.000 0.000 1.561 854 Y HN 0.373 nan 8.280 nan 0.000 0.657 855 E N 0.000 120.193 120.200 -0.012 0.000 2.725 855 E HA 0.000 4.352 4.350 0.003 0.000 0.291 855 E CA 0.000 56.400 56.400 0.000 0.000 0.976 855 E CB 0.000 29.676 29.700 -0.039 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440