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 3nkm_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 WHVARKPLDV YKKPSGKcFF QGDHGFDNKV NSMQTVFVGY GPTFKYRTKV DATA SEQUENCE PPFENIELYN VMCDLLGLKP APNNGTHGSL NHLLRTNTFR PTLPEEVSRP DATA SEQUENCE NYPGIMYLQS DFDLGcTcDD KNKLEELNKR LHTKGSTEER HLLYGRPAVL DATA SEQUENCE YRTSYDILYH TDFESGYSEI FLMPLWTSYT ISKQAEVSSI PEHLTNcVRP DATA SEQUENCE DVRVSPGFSQ NcLAYKNDKQ MSYGFLFPPY LSSSPEAKYD AFLVTNMVPM DATA SEQUENCE YPAFKRVWTY FQRVLVKKYA SERNGVNVIS GPIFDYNYNG LRDIEDEIKQ DATA SEQUENCE YVEGSSIPVP THYYSIITSc LDFTQPADKc DGPLSVSSFI LPHRPDNDES DATA SEQUENCE cNSSEDESKW VEELMKMHTA RVRDIEHLTG LDFYRKTSRS YSEILTLKTY DATA SEQUENCE LHTYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 51 W HA 0.000 nan 4.660 nan 0.000 0.303 51 W C 0.000 176.506 176.519 -0.022 0.000 1.175 51 W CA 0.000 57.334 57.345 -0.018 0.000 1.226 51 W CB 0.000 29.452 29.460 -0.014 0.000 1.126 52 T N 4.867 118.912 114.554 -0.848 0.000 2.758 52 T HA 0.150 4.501 4.350 0.001 0.000 0.285 52 T C -0.376 173.428 174.700 -1.493 0.000 0.981 52 T CA -0.475 61.091 62.100 -0.890 0.000 0.965 52 T CB 0.590 69.183 68.868 -0.458 0.000 0.927 52 T HN 0.357 nan 8.240 nan 0.000 0.448 53 N N 2.789 120.695 118.700 -1.323 0.000 2.549 53 N HA 0.023 4.764 4.740 0.001 0.000 0.267 53 N C 1.111 176.375 175.510 -0.410 0.000 1.182 53 N CA 0.063 52.505 53.050 -1.014 0.000 1.019 53 N CB 0.220 38.396 38.487 -0.518 0.000 1.380 53 N HN 0.444 nan 8.380 nan 0.000 0.505 54 T N 0.515 114.891 114.554 -0.296 0.000 3.077 54 T HA -0.066 4.284 4.350 0.001 0.000 0.269 54 T C 1.541 176.276 174.700 0.058 0.000 1.146 54 T CA 0.845 62.890 62.100 -0.092 0.000 1.091 54 T CB 0.027 68.876 68.868 -0.032 0.000 0.892 54 T HN 0.411 nan 8.240 nan 0.000 0.533 55 S N 0.638 116.356 115.700 0.029 0.000 2.447 55 S HA 0.104 4.575 4.470 0.001 0.000 0.233 55 S C 1.622 176.312 174.600 0.150 0.000 1.006 55 S CA 0.221 58.452 58.200 0.052 0.000 0.957 55 S CB -0.358 62.858 63.200 0.026 0.000 0.773 55 S HN 0.680 nan 8.310 nan 0.000 0.507 56 G N 0.908 109.771 108.800 0.105 0.000 2.712 56 G HA2 0.362 4.322 3.960 0.001 0.000 0.258 56 G HA3 0.362 4.322 3.960 0.001 0.000 0.258 56 G C -0.292 174.687 174.900 0.132 0.000 1.241 56 G CA -0.231 44.922 45.100 0.090 0.000 0.923 56 G HN 0.319 nan 8.290 nan 0.000 0.548 57 S N -2.484 113.245 115.700 0.047 0.000 2.542 57 S HA 0.310 4.780 4.470 0.001 0.000 0.293 57 S C 0.366 174.939 174.600 -0.045 0.000 1.089 57 S CA -0.758 57.424 58.200 -0.030 0.000 0.961 57 S CB 1.432 64.648 63.200 0.026 0.000 1.062 57 S HN 0.570 nan 8.310 nan 0.000 0.483 58 c N 3.033 121.588 118.600 -0.074 0.000 2.673 58 c HA 0.432 5.003 4.570 0.001 0.000 0.274 58 c C 1.353 175.433 174.090 -0.017 0.000 1.276 58 c CA -0.007 56.306 56.329 -0.026 0.000 1.701 58 c CB -1.900 40.614 42.510 0.006 0.000 1.836 58 c HN 0.934 nan 8.230 nan 0.000 0.596 59 K N 0.548 120.937 120.400 -0.019 0.000 2.491 59 K HA 0.355 4.676 4.320 0.001 0.000 0.279 59 K C 1.283 177.891 176.600 0.013 0.000 1.026 59 K CA 0.804 57.089 56.287 -0.003 0.000 1.070 59 K CB -0.955 31.547 32.500 0.003 0.000 0.887 59 K HN 1.315 nan 8.250 nan 0.000 0.481 60 G N 1.658 110.472 108.800 0.024 0.000 2.203 60 G HA2 -0.292 3.668 3.960 0.001 0.000 0.263 60 G HA3 -0.292 3.668 3.960 0.001 0.000 0.263 60 G C 0.893 175.825 174.900 0.053 0.000 1.012 60 G CA 0.758 45.882 45.100 0.040 0.000 0.749 60 G HN 0.781 nan 8.290 nan 0.000 0.512 61 R N -1.488 119.042 120.500 0.051 0.000 2.531 61 R HA 0.161 4.501 4.340 0.001 0.000 0.316 61 R C 0.935 177.289 176.300 0.090 0.000 0.955 61 R CA 0.077 56.214 56.100 0.062 0.000 1.120 61 R CB 0.286 30.605 30.300 0.032 0.000 1.361 61 R HN 0.386 nan 8.270 nan 0.000 0.534 62 c N 2.412 121.064 118.600 0.087 0.000 2.437 62 c HA -0.036 4.535 4.570 0.001 0.000 0.399 62 c C 0.938 175.187 174.090 0.264 0.000 1.478 62 c CA 0.484 56.856 56.329 0.071 0.000 1.538 62 c CB -1.868 40.696 42.510 0.091 0.000 2.506 62 c HN 0.609 nan 8.230 nan 0.000 0.603 63 F N 0.729 120.856 119.950 0.295 0.000 3.048 63 F HA -0.209 4.319 4.527 0.002 0.000 0.269 63 F C 1.100 177.158 175.800 0.429 0.000 0.960 63 F CA 1.121 59.347 58.000 0.377 0.000 0.909 63 F CB -1.447 37.758 39.000 0.341 0.000 0.837 63 F HN 0.791 nan 8.300 nan 0.000 0.768 64 E N 0.526 120.927 120.200 0.336 0.000 2.392 64 E HA 0.237 4.588 4.350 0.001 0.000 0.264 64 E C 0.583 177.264 176.600 0.134 0.000 1.024 64 E CA -0.578 55.956 56.400 0.224 0.000 0.903 64 E CB 0.840 30.605 29.700 0.109 0.000 0.963 64 E HN 0.572 nan 8.360 nan 0.000 0.432 65 L N 0.891 122.123 121.223 0.015 0.000 2.599 65 L HA -0.013 4.327 4.340 0.001 0.000 0.230 65 L C 0.693 177.500 176.870 -0.105 0.000 1.141 65 L CA -0.041 54.714 54.840 -0.143 0.000 0.877 65 L CB -0.277 41.596 42.059 -0.310 0.000 1.009 65 L HN 0.499 nan 8.230 nan 0.000 0.447 66 Q N 1.828 121.596 119.800 -0.053 0.000 2.300 66 Q HA 0.082 4.423 4.340 0.001 0.000 0.280 66 Q C 0.429 176.386 176.000 -0.071 0.000 1.033 66 Q CA 0.389 56.159 55.803 -0.055 0.000 0.903 66 Q CB 0.406 29.124 28.738 -0.033 0.000 1.195 66 Q HN 0.362 nan 8.270 nan 0.000 0.386 67 E N 2.293 122.448 120.200 -0.076 0.000 2.220 67 E HA 0.397 4.747 4.350 0.001 0.000 0.272 67 E C -0.720 175.829 176.600 -0.085 0.000 1.099 67 E CA -0.283 56.065 56.400 -0.086 0.000 0.907 67 E CB 0.448 30.105 29.700 -0.072 0.000 1.022 67 E HN 0.362 nan 8.360 nan 0.000 0.428 68 V N 2.075 121.924 119.914 -0.107 0.000 2.604 68 V HA 0.894 5.014 4.120 0.001 0.000 0.305 68 V C 0.705 176.715 176.094 -0.140 0.000 1.043 68 V CA -0.134 62.101 62.300 -0.109 0.000 0.888 68 V CB 2.126 33.887 31.823 -0.104 0.000 0.995 68 V HN 0.955 nan 8.190 nan 0.000 0.429 69 G N 3.729 112.455 108.800 -0.123 0.000 2.680 69 G HA2 0.765 4.726 3.960 0.001 0.000 0.290 69 G HA3 0.765 4.726 3.960 0.001 0.000 0.290 69 G C -3.134 171.694 174.900 -0.120 0.000 1.355 69 G CA -1.626 43.392 45.100 -0.136 0.000 0.903 69 G HN 0.501 nan 8.290 nan 0.000 0.474 70 P HA 0.092 nan 4.420 nan 0.000 0.266 70 P C -1.797 175.465 177.300 -0.064 0.000 1.186 70 P CA -0.611 62.423 63.100 -0.109 0.000 0.767 70 P CB 0.699 32.354 31.700 -0.074 0.000 0.820 71 P HA 0.044 nan 4.420 nan 0.000 0.249 71 P C -0.180 176.992 177.300 -0.213 0.000 1.229 71 P CA 0.426 63.456 63.100 -0.116 0.000 0.788 71 P CB 0.324 32.030 31.700 0.010 0.000 1.072 72 D N 1.175 121.488 120.400 -0.145 0.000 2.455 72 D HA 0.023 4.663 4.640 0.001 0.000 0.241 72 D C 0.744 176.934 176.300 -0.184 0.000 1.138 72 D CA 0.221 54.134 54.000 -0.144 0.000 0.877 72 D CB 1.081 41.823 40.800 -0.097 0.000 1.187 72 D HN 0.245 nan 8.370 nan 0.000 0.451 73 c N 2.068 120.561 118.600 -0.179 0.000 2.443 73 c HA 0.677 5.248 4.570 0.001 0.000 0.369 73 c C 0.517 174.514 174.090 -0.155 0.000 1.241 73 c CA -0.985 55.233 56.329 -0.184 0.000 2.413 73 c CB 0.414 42.827 42.510 -0.162 0.000 2.451 73 c HN 0.505 nan 8.230 nan 0.000 0.595 74 R N 0.969 121.358 120.500 -0.186 0.000 2.782 74 R HA 0.651 4.992 4.340 0.001 0.000 0.258 74 R C -0.469 175.708 176.300 -0.205 0.000 1.055 74 R CA -0.687 55.299 56.100 -0.189 0.000 1.065 74 R CB 1.120 31.280 30.300 -0.233 0.000 1.172 74 R HN 0.848 nan 8.270 nan 0.000 0.510 75 c N -0.037 118.470 118.600 -0.154 0.000 3.486 75 c HA 0.136 4.707 4.570 0.001 0.000 0.264 75 c C -0.114 173.925 174.090 -0.084 0.000 1.756 75 c CA -0.754 55.534 56.329 -0.069 0.000 1.764 75 c CB -0.885 41.663 42.510 0.063 0.000 3.238 75 c HN 0.827 nan 8.230 nan 0.000 0.524 76 D N 1.073 121.387 120.400 -0.144 0.000 2.387 76 D HA 0.044 4.685 4.640 0.001 0.000 0.251 76 D C 0.544 176.860 176.300 0.026 0.000 1.141 76 D CA -0.214 53.788 54.000 0.002 0.000 0.987 76 D CB 0.582 41.371 40.800 -0.019 0.000 1.116 76 D HN 0.214 nan 8.370 nan 0.000 0.491 77 N N 0.209 119.095 118.700 0.310 0.000 2.609 77 N HA -0.123 4.617 4.740 0.001 0.000 0.190 77 N C 0.772 176.386 175.510 0.173 0.000 1.157 77 N CA 0.238 53.550 53.050 0.436 0.000 0.918 77 N CB -0.098 38.585 38.487 0.327 0.000 0.978 77 N HN 0.323 nan 8.380 nan 0.000 0.448 78 L N 0.574 121.814 121.223 0.028 0.000 2.966 78 L HA 0.185 4.525 4.340 0.001 0.000 0.262 78 L C 1.776 178.654 176.870 0.014 0.000 1.165 78 L CA 0.122 54.992 54.840 0.049 0.000 0.978 78 L CB -0.708 41.397 42.059 0.075 0.000 1.337 78 L HN 0.368 nan 8.230 nan 0.000 0.563 79 c N -0.879 117.611 118.600 -0.183 0.000 2.413 79 c HA -0.137 4.434 4.570 0.001 0.000 0.276 79 c C 2.441 176.410 174.090 -0.203 0.000 1.248 79 c CA 0.257 56.427 56.329 -0.265 0.000 1.742 79 c CB -0.787 41.416 42.510 -0.513 0.000 2.017 79 c HN 0.369 nan 8.230 nan 0.000 0.481 80 K N 1.763 122.024 120.400 -0.232 0.000 2.063 80 K HA -0.119 4.202 4.320 0.001 0.000 0.208 80 K C 2.260 178.817 176.600 -0.071 0.000 1.048 80 K CA 1.904 58.122 56.287 -0.115 0.000 0.928 80 K CB -0.533 31.963 32.500 -0.005 0.000 0.713 80 K HN 0.566 nan 8.250 nan 0.000 0.442 81 S N 0.262 115.932 115.700 -0.050 0.000 2.474 81 S HA -0.093 4.377 4.470 0.001 0.000 0.235 81 S C 1.133 175.431 174.600 -0.503 0.000 0.997 81 S CA 0.967 59.067 58.200 -0.166 0.000 0.949 81 S CB -0.147 63.022 63.200 -0.053 0.000 0.766 81 S HN 0.315 nan 8.310 nan 0.000 0.517 82 Y N 0.914 121.010 120.300 -0.341 0.000 2.481 82 Y HA 0.253 4.803 4.550 0.001 0.000 0.247 82 Y C 0.957 176.707 175.900 -0.251 0.000 1.151 82 Y CA -0.546 57.331 58.100 -0.371 0.000 1.238 82 Y CB 0.061 38.327 38.460 -0.323 0.000 1.179 82 Y HN -0.003 nan 8.280 nan 0.000 0.524 83 S N 0.464 116.110 115.700 -0.089 0.000 3.550 83 S HA -0.198 4.272 4.470 0.001 0.000 0.372 83 S C 0.820 175.365 174.600 -0.091 0.000 0.966 83 S CA 0.925 59.076 58.200 -0.081 0.000 1.229 83 S CB -1.795 61.365 63.200 -0.065 0.000 0.917 83 S HN 0.616 nan 8.310 nan 0.000 0.496 84 S N -3.007 112.618 115.700 -0.124 0.000 2.847 84 S HA 0.313 4.784 4.470 0.001 0.000 0.254 84 S C 0.509 174.983 174.600 -0.210 0.000 1.039 84 S CA -0.206 57.891 58.200 -0.171 0.000 1.113 84 S CB -0.120 62.974 63.200 -0.178 0.000 1.092 84 S HN 0.602 nan 8.310 nan 0.000 0.620 85 c N 2.720 121.181 118.600 -0.232 0.000 2.642 85 c HA 0.372 4.942 4.570 0.001 0.000 0.420 85 c C 1.514 175.523 174.090 -0.135 0.000 1.349 85 c CA -0.766 55.391 56.329 -0.286 0.000 1.821 85 c CB -1.215 41.063 42.510 -0.386 0.000 2.637 85 c HN 0.654 nan 8.230 nan 0.000 0.605 86 c N 4.457 122.996 118.600 -0.101 0.000 2.692 86 c HA -0.005 4.565 4.570 0.001 0.000 0.409 86 c C 2.265 176.338 174.090 -0.029 0.000 1.284 86 c CA -0.056 56.243 56.329 -0.051 0.000 1.909 86 c CB -0.307 42.158 42.510 -0.075 0.000 2.713 86 c HN 1.050 nan 8.230 nan 0.000 0.649 87 H N 1.676 120.755 119.070 0.014 0.000 2.489 87 H HA -0.118 4.439 4.556 0.001 0.000 0.295 87 H C 0.804 176.164 175.328 0.053 0.000 1.082 87 H CA 1.900 57.966 56.048 0.030 0.000 1.295 87 H CB -0.348 29.426 29.762 0.019 0.000 1.380 87 H HN 0.833 nan 8.280 nan 0.000 0.548 88 D N -0.551 119.495 120.400 -0.590 0.000 2.462 88 D HA -0.052 4.589 4.640 0.001 0.000 0.221 88 D C 1.646 177.858 176.300 -0.147 0.000 1.173 88 D CA -0.684 53.107 54.000 -0.347 0.000 0.831 88 D CB -1.080 39.430 40.800 -0.484 0.000 1.001 88 D HN 0.262 nan 8.370 nan 0.000 0.499 89 F N 2.070 121.901 119.950 -0.198 0.000 2.065 89 F HA -0.234 4.293 4.527 0.001 0.000 0.298 89 F C 1.718 177.456 175.800 -0.103 0.000 1.112 89 F CA 1.957 59.863 58.000 -0.155 0.000 1.212 89 F CB -0.080 38.834 39.000 -0.143 0.000 0.975 89 F HN -0.064 nan 8.300 nan 0.000 0.476 90 D N 0.258 120.582 120.400 -0.126 0.000 2.097 90 D HA -0.232 4.409 4.640 0.001 0.000 0.195 90 D C 2.055 178.245 176.300 -0.182 0.000 0.989 90 D CA 1.758 55.640 54.000 -0.198 0.000 0.827 90 D CB -0.275 40.535 40.800 0.016 0.000 0.966 90 D HN 0.725 nan 8.370 nan 0.000 0.456 91 E N 0.198 120.332 120.200 -0.110 0.000 2.150 91 E HA -0.125 4.226 4.350 0.001 0.000 0.193 91 E C 2.430 178.968 176.600 -0.102 0.000 0.985 91 E CA 0.694 57.046 56.400 -0.081 0.000 0.814 91 E CB -0.356 29.320 29.700 -0.040 0.000 0.752 91 E HN 0.338 nan 8.360 nan 0.000 0.466 92 L N -0.139 120.996 121.223 -0.146 0.000 2.354 92 L HA 0.109 4.450 4.340 0.001 0.000 0.212 92 L C 1.882 178.660 176.870 -0.155 0.000 1.091 92 L CA 0.191 54.957 54.840 -0.123 0.000 0.828 92 L CB 0.158 42.152 42.059 -0.109 0.000 0.973 92 L HN 0.332 nan 8.230 nan 0.000 0.461 93 c N -0.950 117.459 118.600 -0.319 0.000 2.800 93 c HA 0.239 4.809 4.570 0.001 0.000 0.379 93 c C 1.530 175.503 174.090 -0.195 0.000 1.304 93 c CA -0.386 55.719 56.329 -0.374 0.000 1.960 93 c CB 0.175 42.104 42.510 -0.967 0.000 2.599 93 c HN 0.262 nan 8.230 nan 0.000 0.578 94 L N 1.799 122.869 121.223 -0.255 0.000 3.064 94 L HA 0.213 4.553 4.340 0.001 0.000 0.233 94 L C -0.033 176.839 176.870 0.002 0.000 1.333 94 L CA 0.152 54.968 54.840 -0.039 0.000 1.140 94 L CB -0.571 41.463 42.059 -0.041 0.000 1.519 94 L HN 0.259 nan 8.230 nan 0.000 0.493 95 K N 0.086 120.481 120.400 -0.008 0.000 2.436 95 K HA 0.049 4.369 4.320 0.001 0.000 0.275 95 K C 1.033 177.564 176.600 -0.115 0.000 0.999 95 K CA 0.271 56.525 56.287 -0.056 0.000 0.980 95 K CB 1.064 33.528 32.500 -0.061 0.000 0.919 95 K HN 0.020 nan 8.250 nan 0.000 0.484 96 T N -0.031 114.401 114.554 -0.203 0.000 3.041 96 T HA 0.175 4.525 4.350 0.001 0.000 0.276 96 T C 0.012 174.457 174.700 -0.425 0.000 0.948 96 T CA -0.052 61.818 62.100 -0.383 0.000 0.885 96 T CB 0.286 69.035 68.868 -0.199 0.000 1.175 96 T HN 0.620 nan 8.240 nan 0.000 0.529 97 A N 2.126 124.778 122.820 -0.279 0.000 2.561 97 A HA 0.418 4.738 4.320 0.001 0.000 0.251 97 A C 0.972 178.391 177.584 -0.275 0.000 1.062 97 A CA 0.554 52.456 52.037 -0.224 0.000 0.761 97 A CB -0.409 18.505 19.000 -0.145 0.000 0.986 97 A HN 0.692 nan 8.150 nan 0.000 0.510 98 R N 0.978 121.335 120.500 -0.238 0.000 3.728 98 R HA -0.197 4.144 4.340 0.001 0.000 0.478 98 R C 0.975 177.110 176.300 -0.275 0.000 0.932 98 R CA 1.066 57.042 56.100 -0.206 0.000 1.317 98 R CB -2.498 27.709 30.300 -0.155 0.000 1.987 98 R HN 2.783 nan 8.270 nan 0.000 0.509 99 G N -0.380 108.139 108.800 -0.469 0.000 2.593 99 G HA2 -0.300 3.660 3.960 0.001 0.000 0.237 99 G HA3 -0.300 3.660 3.960 0.001 0.000 0.237 99 G C -0.041 174.441 174.900 -0.698 0.000 1.312 99 G CA 0.215 44.924 45.100 -0.652 0.000 0.896 99 G HN 0.242 nan 8.290 nan 0.000 0.574 100 W N 0.962 122.234 121.300 -0.046 0.000 3.008 100 W HA 0.523 5.184 4.660 0.001 0.000 0.355 100 W C 0.813 177.310 176.519 -0.036 0.000 1.095 100 W CA 0.062 57.375 57.345 -0.053 0.000 1.738 100 W CB 0.747 30.177 29.460 -0.051 0.000 1.091 100 W HN 0.516 nan 8.180 nan 0.000 0.574 101 E N 0.112 120.381 120.200 0.116 0.000 2.272 101 E HA 0.311 4.662 4.350 0.001 0.000 0.269 101 E C -0.924 175.708 176.600 0.054 0.000 0.877 101 E CA -0.882 55.576 56.400 0.096 0.000 0.755 101 E CB 1.868 31.625 29.700 0.095 0.000 1.192 101 E HN -0.246 nan 8.360 nan 0.000 0.422 102 c N 2.394 121.039 118.600 0.075 0.000 2.662 102 c HA 0.314 4.884 4.570 0.001 0.000 0.420 102 c C 0.851 174.973 174.090 0.053 0.000 1.314 102 c CA -0.124 56.250 56.329 0.076 0.000 1.963 102 c CB -0.657 41.939 42.510 0.144 0.000 2.686 102 c HN 0.702 nan 8.230 nan 0.000 0.609 103 T N -0.459 114.118 114.554 0.039 0.000 2.924 103 T HA 0.594 4.945 4.350 0.001 0.000 0.291 103 T C 0.855 175.569 174.700 0.024 0.000 1.045 103 T CA -0.156 61.959 62.100 0.025 0.000 1.015 103 T CB 1.552 70.427 68.868 0.012 0.000 1.103 103 T HN 0.743 nan 8.240 nan 0.000 0.496 104 K N 1.165 121.573 120.400 0.013 0.000 2.107 104 K HA -0.217 4.103 4.320 0.001 0.000 0.211 104 K C 1.581 178.190 176.600 0.014 0.000 1.049 104 K CA 2.500 58.791 56.287 0.008 0.000 0.927 104 K CB -1.716 30.784 32.500 -0.000 0.000 0.714 104 K HN 0.974 nan 8.250 nan 0.000 0.452 105 D N -1.018 119.390 120.400 0.012 0.000 2.371 105 D HA -0.110 4.531 4.640 0.001 0.000 0.234 105 D C 1.390 177.701 176.300 0.018 0.000 1.049 105 D CA 0.414 54.421 54.000 0.011 0.000 0.907 105 D CB -0.024 40.779 40.800 0.005 0.000 0.891 105 D HN 0.593 nan 8.370 nan 0.000 0.531 106 R N -0.509 120.010 120.500 0.031 0.000 2.344 106 R HA 0.176 4.516 4.340 0.001 0.000 0.209 106 R C 0.570 176.912 176.300 0.070 0.000 0.886 106 R CA -0.245 55.880 56.100 0.041 0.000 1.040 106 R CB 0.457 30.781 30.300 0.039 0.000 1.114 106 R HN 0.094 nan 8.270 nan 0.000 0.547 107 c N 1.842 120.490 118.600 0.081 0.000 2.596 107 c HA 0.194 4.764 4.570 0.001 0.000 0.414 107 c C 1.753 175.902 174.090 0.098 0.000 1.396 107 c CA 1.028 57.429 56.329 0.120 0.000 1.698 107 c CB -0.327 42.227 42.510 0.073 0.000 2.572 107 c HN 0.912 nan 8.230 nan 0.000 0.604 108 G N 2.576 111.453 108.800 0.128 0.000 2.189 108 G HA2 -0.239 3.722 3.960 0.001 0.000 0.267 108 G HA3 -0.239 3.722 3.960 0.001 0.000 0.267 108 G C 0.124 175.053 174.900 0.047 0.000 0.975 108 G CA 0.566 45.715 45.100 0.082 0.000 0.644 108 G HN 0.980 nan 8.290 nan 0.000 0.537 109 E N -0.164 120.064 120.200 0.046 0.000 2.485 109 E HA 0.267 4.618 4.350 0.001 0.000 0.266 109 E C 0.320 176.928 176.600 0.013 0.000 1.137 109 E CA -0.193 56.224 56.400 0.027 0.000 1.010 109 E CB 0.682 30.400 29.700 0.031 0.000 0.986 109 E HN 0.267 nan 8.360 nan 0.000 0.460 110 V N 1.855 121.773 119.914 0.007 0.000 2.555 110 V HA 0.029 4.149 4.120 0.001 0.000 0.286 110 V C 0.939 177.029 176.094 -0.007 0.000 1.044 110 V CA -0.115 62.182 62.300 -0.004 0.000 1.026 110 V CB 0.780 32.600 31.823 -0.004 0.000 0.981 110 V HN 0.635 nan 8.190 nan 0.000 0.480 111 R N 4.299 124.779 120.500 -0.033 0.000 2.457 111 R HA 0.001 4.342 4.340 0.001 0.000 0.335 111 R C 0.037 176.318 176.300 -0.031 0.000 1.003 111 R CA -0.007 56.056 56.100 -0.062 0.000 1.003 111 R CB -0.144 30.068 30.300 -0.146 0.000 0.950 111 R HN 0.732 nan 8.270 nan 0.000 0.428 112 N N 3.602 122.321 118.700 0.031 0.000 2.527 112 N HA 0.006 4.747 4.740 0.001 0.000 0.236 112 N C -0.069 175.500 175.510 0.099 0.000 0.999 112 N CA -0.293 52.781 53.050 0.040 0.000 0.935 112 N CB 1.205 39.711 38.487 0.032 0.000 1.132 112 N HN 0.519 nan 8.380 nan 0.000 0.511 113 E N 1.386 121.620 120.200 0.056 0.000 2.501 113 E HA -0.178 4.172 4.350 0.001 0.000 0.203 113 E C 0.454 177.112 176.600 0.097 0.000 1.072 113 E CA 0.461 56.921 56.400 0.101 0.000 0.885 113 E CB 0.313 30.027 29.700 0.024 0.000 0.813 113 E HN 0.662 nan 8.360 nan 0.000 0.556 114 E N 0.492 120.725 120.200 0.055 0.000 2.385 114 E HA -0.022 4.329 4.350 0.001 0.000 0.194 114 E C 0.184 176.763 176.600 -0.036 0.000 1.013 114 E CA 0.044 56.446 56.400 0.003 0.000 0.866 114 E CB 0.152 29.844 29.700 -0.013 0.000 0.832 114 E HN 0.037 nan 8.360 nan 0.000 0.500 115 N N 0.262 118.946 118.700 -0.027 0.000 2.453 115 N HA 0.046 4.786 4.740 0.001 0.000 0.253 115 N C 0.594 175.939 175.510 -0.275 0.000 1.252 115 N CA 0.711 53.668 53.050 -0.156 0.000 0.917 115 N CB 1.180 39.578 38.487 -0.148 0.000 1.117 115 N HN 0.177 nan 8.380 nan 0.000 0.442 116 A N 0.740 123.354 122.820 -0.343 0.000 1.930 116 A HA -0.026 4.294 4.320 0.001 0.000 0.217 116 A C 0.818 178.223 177.584 -0.299 0.000 1.175 116 A CA 1.258 53.079 52.037 -0.361 0.000 0.627 116 A CB -0.437 18.128 19.000 -0.725 0.000 0.815 116 A HN 0.828 nan 8.150 nan 0.000 0.443 117 c N -3.992 114.355 118.600 -0.422 0.000 3.311 117 c HA 0.767 5.337 4.570 0.001 0.000 0.325 117 c C -0.763 172.985 174.090 -0.570 0.000 1.352 117 c CA -1.317 54.734 56.329 -0.463 0.000 1.308 117 c CB 0.628 43.076 42.510 -0.105 0.000 1.619 117 c HN 0.464 nan 8.230 nan 0.000 0.469 118 H N -0.849 118.187 119.070 -0.058 0.000 2.616 118 H HA 0.585 5.141 4.556 0.001 0.000 0.353 118 H C -0.392 174.842 175.328 -0.156 0.000 1.170 118 H CA -0.512 55.478 56.048 -0.097 0.000 1.212 118 H CB 1.703 31.398 29.762 -0.111 0.000 1.653 118 H HN 0.905 nan 8.280 nan 0.000 0.537 119 c N 0.651 119.243 118.600 -0.013 0.000 3.512 119 c HA 0.138 4.709 4.570 0.001 0.000 0.276 119 c C 1.137 175.190 174.090 -0.062 0.000 1.592 119 c CA -0.517 55.784 56.329 -0.048 0.000 1.803 119 c CB -1.157 41.435 42.510 0.137 0.000 2.996 119 c HN 0.755 nan 8.230 nan 0.000 0.590 120 S N 0.746 116.385 115.700 -0.101 0.000 2.614 120 S HA 0.265 4.735 4.470 0.001 0.000 0.265 120 S C 0.806 175.340 174.600 -0.111 0.000 1.303 120 S CA 0.103 58.265 58.200 -0.063 0.000 1.000 120 S CB 1.189 64.351 63.200 -0.064 0.000 0.935 120 S HN 0.319 nan 8.310 nan 0.000 0.551 121 E N 0.964 121.155 120.200 -0.015 0.000 2.153 121 E HA -0.165 4.186 4.350 0.001 0.000 0.194 121 E C 1.324 177.912 176.600 -0.020 0.000 0.988 121 E CA 1.724 58.141 56.400 0.029 0.000 0.811 121 E CB -0.278 29.449 29.700 0.046 0.000 0.746 121 E HN 0.826 nan 8.360 nan 0.000 0.466 122 D N -0.728 119.636 120.400 -0.059 0.000 2.347 122 D HA -0.108 4.532 4.640 0.001 0.000 0.213 122 D C 1.983 178.229 176.300 -0.091 0.000 0.985 122 D CA 0.792 54.757 54.000 -0.058 0.000 0.879 122 D CB -1.135 39.630 40.800 -0.059 0.000 0.919 122 D HN 0.414 nan 8.370 nan 0.000 0.526 123 c N -0.038 118.463 118.600 -0.165 0.000 2.401 123 c HA -0.118 4.453 4.570 0.001 0.000 0.276 123 c C 2.552 176.576 174.090 -0.110 0.000 1.233 123 c CA 0.386 56.610 56.329 -0.175 0.000 1.753 123 c CB -1.727 40.604 42.510 -0.299 0.000 2.029 123 c HN 0.268 nan 8.230 nan 0.000 0.478 124 L N 2.756 123.920 121.223 -0.097 0.000 2.012 124 L HA -0.120 4.220 4.340 0.001 0.000 0.210 124 L C 3.047 179.934 176.870 0.028 0.000 1.073 124 L CA 2.795 57.639 54.840 0.008 0.000 0.748 124 L CB -0.657 41.454 42.059 0.087 0.000 0.891 124 L HN 0.673 nan 8.230 nan 0.000 0.431 125 S N -1.496 114.217 115.700 0.020 0.000 2.453 125 S HA -0.121 4.349 4.470 0.001 0.000 0.231 125 S C 2.000 176.618 174.600 0.030 0.000 1.005 125 S CA 0.603 58.823 58.200 0.032 0.000 0.949 125 S CB -0.476 62.741 63.200 0.027 0.000 0.774 125 S HN 0.466 nan 8.310 nan 0.000 0.510 126 R N 0.859 121.366 120.500 0.011 0.000 2.276 126 R HA 0.258 4.598 4.340 0.001 0.000 0.196 126 R C 1.288 177.612 176.300 0.041 0.000 0.961 126 R CA 0.389 56.499 56.100 0.017 0.000 1.024 126 R CB -0.308 29.982 30.300 -0.018 0.000 0.940 126 R HN 0.543 nan 8.270 nan 0.000 0.480 127 G N 1.879 110.703 108.800 0.040 0.000 2.295 127 G HA2 -0.261 3.700 3.960 0.001 0.000 0.287 127 G HA3 -0.261 3.700 3.960 0.001 0.000 0.287 127 G C -0.278 174.653 174.900 0.052 0.000 1.055 127 G CA 0.633 45.764 45.100 0.052 0.000 0.922 127 G HN 0.354 nan 8.290 nan 0.000 0.503 128 D N -1.214 119.217 120.400 0.053 0.000 2.474 128 D HA 0.179 4.820 4.640 0.001 0.000 0.213 128 D C 1.450 177.808 176.300 0.096 0.000 1.120 128 D CA 0.027 54.104 54.000 0.128 0.000 0.836 128 D CB 0.296 41.238 40.800 0.237 0.000 1.019 128 D HN 0.487 nan 8.370 nan 0.000 0.507 129 c N 1.611 120.214 118.600 0.006 0.000 2.657 129 c HA 0.124 4.694 4.570 0.001 0.000 0.420 129 c C 1.226 175.326 174.090 0.018 0.000 1.323 129 c CA -1.165 55.136 56.329 -0.047 0.000 1.894 129 c CB -0.487 41.980 42.510 -0.073 0.000 2.681 129 c HN 0.385 nan 8.230 nan 0.000 0.613 130 c N 3.116 121.732 118.600 0.028 0.000 2.641 130 c HA 0.131 4.701 4.570 0.001 0.000 0.412 130 c C 2.239 176.391 174.090 0.104 0.000 1.312 130 c CA 0.503 56.876 56.329 0.073 0.000 1.838 130 c CB -0.302 42.258 42.510 0.084 0.000 2.682 130 c HN 1.054 nan 8.230 nan 0.000 0.627 131 T N -0.457 114.145 114.554 0.080 0.000 2.962 131 T HA -0.157 4.194 4.350 0.001 0.000 0.270 131 T C 1.045 175.801 174.700 0.094 0.000 1.088 131 T CA 1.564 63.702 62.100 0.064 0.000 1.127 131 T CB -0.417 68.459 68.868 0.012 0.000 0.883 131 T HN 0.839 nan 8.240 nan 0.000 0.493 132 N N 0.190 118.959 118.700 0.116 0.000 2.251 132 N HA -0.004 4.736 4.740 0.001 0.000 0.217 132 N C 1.103 176.657 175.510 0.074 0.000 1.124 132 N CA -0.514 52.596 53.050 0.099 0.000 0.843 132 N CB -0.679 37.893 38.487 0.143 0.000 1.024 132 N HN 0.460 nan 8.380 nan 0.000 0.501 133 Y N 1.766 122.068 120.300 0.005 0.000 2.040 133 Y HA -0.251 4.300 4.550 0.002 0.000 0.275 133 Y C 2.086 177.974 175.900 -0.020 0.000 1.171 133 Y CA 2.198 60.298 58.100 -0.000 0.000 1.123 133 Y CB -0.374 38.094 38.460 0.013 0.000 0.963 133 Y HN 0.173 nan 8.280 nan 0.000 0.493 134 Q N -0.804 118.805 119.800 -0.319 0.000 2.170 134 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 134 Q C 2.310 178.124 176.000 -0.309 0.000 0.976 134 Q CA 1.680 57.229 55.803 -0.423 0.000 0.858 134 Q CB -0.160 28.465 28.738 -0.188 0.000 0.907 134 Q HN 0.452 nan 8.270 nan 0.000 0.433 135 V N -0.292 119.475 119.914 -0.246 0.000 2.379 135 V HA -0.181 3.940 4.120 0.001 0.000 0.245 135 V C 2.076 178.040 176.094 -0.217 0.000 1.044 135 V CA 1.258 63.393 62.300 -0.275 0.000 1.036 135 V CB -0.185 31.365 31.823 -0.455 0.000 0.664 135 V HN 0.153 nan 8.190 nan 0.000 0.453 136 V N -1.586 118.223 119.914 -0.174 0.000 2.535 136 V HA -0.146 3.974 4.120 0.001 0.000 0.246 136 V C 2.090 178.105 176.094 -0.133 0.000 1.045 136 V CA 1.885 64.118 62.300 -0.111 0.000 1.058 136 V CB 0.045 31.845 31.823 -0.039 0.000 0.689 136 V HN 0.636 nan 8.190 nan 0.000 0.461 137 c N -0.958 117.499 118.600 -0.238 0.000 3.019 137 c HA 0.253 4.823 4.570 0.001 0.000 0.295 137 c C 1.724 175.650 174.090 -0.274 0.000 1.256 137 c CA -0.235 55.941 56.329 -0.255 0.000 1.706 137 c CB -0.292 42.004 42.510 -0.357 0.000 2.153 137 c HN 0.391 nan 8.230 nan 0.000 0.618 138 K N -0.039 120.180 120.400 -0.302 0.000 2.562 138 K HA 0.240 4.560 4.320 0.001 0.000 0.201 138 K C 1.088 177.594 176.600 -0.157 0.000 1.131 138 K CA 0.700 56.853 56.287 -0.222 0.000 1.059 138 K CB 0.609 32.949 32.500 -0.266 0.000 0.913 138 K HN 0.311 nan 8.250 nan 0.000 0.563 139 G N 1.754 110.464 108.800 -0.150 0.000 2.155 139 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 139 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 139 G C 0.176 175.004 174.900 -0.121 0.000 0.983 139 G CA 0.428 45.458 45.100 -0.118 0.000 0.676 139 G HN 0.243 nan 8.290 nan 0.000 0.528 140 E N 0.569 120.681 120.200 -0.147 0.000 2.391 140 E HA 0.473 4.824 4.350 0.001 0.000 0.255 140 E C 0.950 177.452 176.600 -0.163 0.000 1.187 140 E CA 0.564 56.882 56.400 -0.136 0.000 0.941 140 E CB 0.953 30.573 29.700 -0.133 0.000 1.010 140 E HN 0.603 nan 8.360 nan 0.000 0.458 141 S N 0.652 116.272 115.700 -0.134 0.000 2.565 141 S HA 0.304 4.775 4.470 0.001 0.000 0.290 141 S C 0.022 174.547 174.600 -0.123 0.000 1.150 141 S CA -0.884 57.236 58.200 -0.134 0.000 1.058 141 S CB 0.844 63.998 63.200 -0.077 0.000 1.032 141 S HN 0.345 nan 8.310 nan 0.000 0.510 142 H N 0.864 119.916 119.070 -0.030 0.000 2.972 142 H HA -0.052 4.504 4.556 -0.000 0.000 0.343 142 H C 0.771 176.113 175.328 0.024 0.000 1.054 142 H CA 0.603 56.653 56.048 0.004 0.000 1.412 142 H CB 0.229 29.991 29.762 -0.000 0.000 1.385 142 H HN 1.032 nan 8.280 nan 0.000 0.600 143 W N 4.522 125.827 121.300 0.007 0.000 2.305 143 W HA -0.244 4.420 4.660 0.007 0.000 0.308 143 W C 1.974 178.464 176.519 -0.048 0.000 1.226 143 W CA 1.971 59.278 57.345 -0.063 0.000 1.253 143 W CB -0.443 28.958 29.460 -0.098 0.000 1.146 143 W HN 0.429 nan 8.180 nan 0.000 0.507 144 V N 1.310 121.246 119.914 0.035 0.000 2.720 144 V HA -0.234 3.887 4.120 0.001 0.000 0.256 144 V C 1.453 177.387 176.094 -0.268 0.000 1.082 144 V CA 2.600 64.755 62.300 -0.241 0.000 1.101 144 V CB -0.589 31.209 31.823 -0.041 0.000 0.693 144 V HN 0.130 nan 8.190 nan 0.000 0.479 145 D N -0.463 119.853 120.400 -0.140 0.000 2.348 145 D HA 0.047 4.687 4.640 0.001 0.000 0.211 145 D C 0.324 176.531 176.300 -0.155 0.000 0.998 145 D CA 0.212 54.143 54.000 -0.115 0.000 0.873 145 D CB -0.017 40.766 40.800 -0.029 0.000 0.925 145 D HN 0.489 nan 8.370 nan 0.000 0.524 146 D N 1.653 121.916 120.400 -0.228 0.000 2.345 146 D HA 0.074 4.714 4.640 0.001 0.000 0.247 146 D C 0.173 176.327 176.300 -0.243 0.000 1.108 146 D CA -0.040 53.833 54.000 -0.212 0.000 0.894 146 D CB 0.897 41.565 40.800 -0.219 0.000 1.203 146 D HN -0.144 nan 8.370 nan 0.000 0.430 147 D N 0.486 120.802 120.400 -0.141 0.000 2.443 147 D HA -0.036 4.604 4.640 0.001 0.000 0.239 147 D C 0.229 176.477 176.300 -0.085 0.000 1.136 147 D CA -0.158 53.779 54.000 -0.105 0.000 0.879 147 D CB 0.613 41.384 40.800 -0.049 0.000 1.195 147 D HN 0.284 nan 8.370 nan 0.000 0.443 148 c N 3.221 121.789 118.600 -0.053 0.000 2.642 148 c HA 0.189 4.760 4.570 0.001 0.000 0.420 148 c C 0.255 174.431 174.090 0.143 0.000 1.349 148 c CA -0.047 56.321 56.329 0.064 0.000 1.821 148 c CB -0.743 41.825 42.510 0.096 0.000 2.637 148 c HN 0.583 nan 8.230 nan 0.000 0.605 149 E N 3.968 124.266 120.200 0.163 0.000 2.263 149 E HA 0.226 4.577 4.350 0.001 0.000 0.268 149 E C -0.884 175.674 176.600 -0.070 0.000 0.884 149 E CA -0.363 56.066 56.400 0.049 0.000 0.766 149 E CB 1.234 30.944 29.700 0.017 0.000 1.196 149 E HN 0.888 nan 8.360 nan 0.000 0.416 150 E N 4.300 124.216 120.200 -0.474 0.000 2.529 150 E HA -0.037 4.313 4.350 0.001 0.000 0.259 150 E C -0.509 175.918 176.600 -0.287 0.000 0.966 150 E CA 0.279 56.230 56.400 -0.749 0.000 0.937 150 E CB 0.457 29.516 29.700 -1.068 0.000 0.923 150 E HN 0.420 nan 8.360 nan 0.000 0.468 151 I N 6.329 126.789 120.570 -0.183 0.000 2.313 151 I HA 0.161 4.331 4.170 0.001 0.000 0.286 151 I C 1.335 177.390 176.117 -0.103 0.000 1.091 151 I CA -0.295 60.933 61.300 -0.120 0.000 1.216 151 I CB 0.627 38.562 38.000 -0.108 0.000 1.434 151 I HN 0.535 nan 8.210 nan 0.000 0.487 152 R N 3.332 123.771 120.500 -0.102 0.000 2.119 152 R HA 0.063 4.404 4.340 0.001 0.000 0.222 152 R C 0.446 176.715 176.300 -0.052 0.000 1.088 152 R CA 0.816 56.870 56.100 -0.077 0.000 0.984 152 R CB 0.378 30.631 30.300 -0.079 0.000 0.884 152 R HN 0.588 nan 8.270 nan 0.000 0.447 153 V N -2.545 117.338 119.914 -0.052 0.000 3.078 153 V HA 0.535 4.655 4.120 0.001 0.000 0.311 153 V C -2.880 173.188 176.094 -0.043 0.000 1.138 153 V CA -3.187 59.089 62.300 -0.039 0.000 1.007 153 V CB 2.169 33.974 31.823 -0.030 0.000 1.045 153 V HN -0.163 nan 8.190 nan 0.000 0.432 154 P HA 0.311 nan 4.420 nan 0.000 0.268 154 P C -0.794 176.477 177.300 -0.048 0.000 1.205 154 P CA 0.239 63.316 63.100 -0.037 0.000 0.771 154 P CB 0.239 31.931 31.700 -0.013 0.000 0.858 155 E N 1.595 121.748 120.200 -0.078 0.000 2.376 155 E HA 0.306 4.656 4.350 0.001 0.000 0.236 155 E C -0.987 175.539 176.600 -0.123 0.000 0.962 155 E CA -0.393 55.955 56.400 -0.087 0.000 0.768 155 E CB 0.255 29.895 29.700 -0.100 0.000 1.236 155 E HN 0.383 nan 8.360 nan 0.000 0.431 156 c N 2.546 121.083 118.600 -0.106 0.000 2.435 156 c HA 0.529 5.099 4.570 0.001 0.000 0.333 156 c C -1.959 172.060 174.090 -0.118 0.000 1.202 156 c CA -1.772 54.437 56.329 -0.200 0.000 1.830 156 c CB 0.721 43.144 42.510 -0.145 0.000 2.326 156 c HN 0.549 nan 8.230 nan 0.000 0.507 157 P HA 0.287 nan 4.420 nan 0.000 0.269 157 P C -0.407 177.007 177.300 0.190 0.000 1.215 157 P CA 0.050 63.167 63.100 0.028 0.000 0.780 157 P CB 0.327 32.069 31.700 0.070 0.000 0.898 158 A N 1.501 124.413 122.820 0.152 0.000 2.520 158 A HA 0.414 4.735 4.320 0.001 0.000 0.235 158 A C 1.505 179.215 177.584 0.210 0.000 1.065 158 A CA 0.848 52.976 52.037 0.151 0.000 0.764 158 A CB -1.189 17.869 19.000 0.096 0.000 1.002 158 A HN 0.905 nan 8.150 nan 0.000 0.502 159 G N 0.378 109.273 108.800 0.159 0.000 2.254 159 G HA2 -0.210 3.750 3.960 0.001 0.000 0.225 159 G HA3 -0.210 3.750 3.960 0.001 0.000 0.225 159 G C 0.092 175.013 174.900 0.034 0.000 1.003 159 G CA 0.137 45.287 45.100 0.085 0.000 0.622 159 G HN 0.717 nan 8.290 nan 0.000 0.507 160 F N 1.140 121.116 119.950 0.044 0.000 2.424 160 F HA 0.498 5.027 4.527 0.003 0.000 0.356 160 F C 1.544 177.367 175.800 0.038 0.000 1.110 160 F CA -0.194 57.835 58.000 0.049 0.000 1.161 160 F CB 1.857 40.889 39.000 0.053 0.000 1.115 160 F HN -0.084 nan 8.300 nan 0.000 0.507 161 V N 2.939 122.937 119.914 0.141 0.000 3.174 161 V HA 0.239 4.360 4.120 0.001 0.000 0.254 161 V C 0.921 177.078 176.094 0.104 0.000 1.120 161 V CA 0.917 63.274 62.300 0.094 0.000 1.114 161 V CB -0.545 31.304 31.823 0.043 0.000 0.756 161 V HN 0.695 nan 8.190 nan 0.000 0.467 162 R N 0.633 121.221 120.500 0.146 0.000 2.663 162 R HA 0.635 4.976 4.340 0.001 0.000 0.267 162 R C -3.224 173.189 176.300 0.187 0.000 1.038 162 R CA -1.406 54.769 56.100 0.126 0.000 0.886 162 R CB -0.337 30.016 30.300 0.088 0.000 1.249 162 R HN 0.046 nan 8.270 nan 0.000 0.463 163 P HA 0.235 nan 4.420 nan 0.000 0.267 163 P C -2.568 174.849 177.300 0.195 0.000 1.209 163 P CA -0.934 62.255 63.100 0.148 0.000 0.763 163 P CB 0.351 32.099 31.700 0.080 0.000 0.816 164 P HA 0.136 nan 4.420 nan 0.000 0.270 164 P C -0.557 176.906 177.300 0.272 0.000 1.223 164 P CA -0.126 63.167 63.100 0.321 0.000 0.785 164 P CB 0.337 32.299 31.700 0.436 0.000 0.923 165 L N 2.771 124.176 121.223 0.303 0.000 2.313 165 L HA 0.524 4.865 4.340 0.001 0.000 0.283 165 L C -1.132 175.945 176.870 0.345 0.000 1.013 165 L CA -0.189 54.823 54.840 0.286 0.000 0.816 165 L CB 0.608 42.814 42.059 0.245 0.000 1.236 165 L HN 0.212 nan 8.230 nan 0.000 0.419 166 I N 6.421 127.168 120.570 0.295 0.000 2.389 166 I HA 0.384 4.555 4.170 0.001 0.000 0.288 166 I C -0.693 175.580 176.117 0.261 0.000 0.999 166 I CA -0.471 60.998 61.300 0.282 0.000 1.129 166 I CB 1.650 39.772 38.000 0.203 0.000 1.288 166 I HN 0.516 nan 8.210 nan 0.000 0.444 167 I N 6.279 126.988 120.570 0.231 0.000 2.321 167 I HA 0.236 4.407 4.170 0.001 0.000 0.291 167 I C -0.675 175.590 176.117 0.247 0.000 0.998 167 I CA -0.332 61.105 61.300 0.228 0.000 1.227 167 I CB 0.971 39.084 38.000 0.188 0.000 1.368 167 I HN 0.400 nan 8.210 nan 0.000 0.466 168 F N 6.209 126.225 119.950 0.110 0.000 2.325 168 F HA 0.454 4.983 4.527 0.003 0.000 0.369 168 F C -0.022 175.769 175.800 -0.015 0.000 1.095 168 F CA -0.328 57.749 58.000 0.128 0.000 1.082 168 F CB 0.879 39.944 39.000 0.108 0.000 1.289 168 F HN 0.321 nan 8.300 nan 0.000 0.462 169 S N 4.733 120.476 115.700 0.073 0.000 2.480 169 S HA 0.659 5.129 4.470 0.001 0.000 0.286 169 S C -0.680 173.892 174.600 -0.045 0.000 1.180 169 S CA -0.720 57.500 58.200 0.033 0.000 1.075 169 S CB 1.415 64.705 63.200 0.149 0.000 0.996 169 S HN 0.518 nan 8.310 nan 0.000 0.487 170 V N 0.386 120.239 119.914 -0.102 0.000 2.487 170 V HA 0.536 4.657 4.120 0.001 0.000 0.298 170 V C -0.501 175.597 176.094 0.008 0.000 1.028 170 V CA -1.010 61.263 62.300 -0.045 0.000 0.860 170 V CB 1.709 33.544 31.823 0.019 0.000 0.991 170 V HN 0.708 nan 8.190 nan 0.000 0.427 171 D N 3.799 124.199 120.400 0.001 0.000 2.317 171 D HA 0.430 5.071 4.640 0.001 0.000 0.252 171 D C 1.211 177.466 176.300 -0.074 0.000 1.174 171 D CA 1.526 55.539 54.000 0.021 0.000 0.866 171 D CB 1.202 42.097 40.800 0.159 0.000 1.127 171 D HN 1.459 nan 8.370 nan 0.000 0.467 172 G N 3.887 112.412 108.800 -0.458 0.000 2.176 172 G HA2 -0.301 3.660 3.960 0.001 0.000 0.252 172 G HA3 -0.301 3.660 3.960 0.001 0.000 0.252 172 G C 0.182 175.035 174.900 -0.077 0.000 1.024 172 G CA -0.107 44.711 45.100 -0.469 0.000 0.755 172 G HN 0.488 nan 8.290 nan 0.000 0.507 173 F N 2.215 122.084 119.950 -0.136 0.000 2.464 173 F HA 0.486 5.014 4.527 0.001 0.000 0.353 173 F C 1.159 176.853 175.800 -0.177 0.000 1.191 173 F CA -1.109 56.901 58.000 0.018 0.000 1.147 173 F CB 0.314 39.350 39.000 0.059 0.000 1.294 173 F HN 0.262 nan 8.300 nan 0.000 0.583 174 R N 3.930 124.108 120.500 -0.538 0.000 2.590 174 R HA 0.265 4.605 4.340 0.001 0.000 0.274 174 R C 1.252 177.397 176.300 -0.258 0.000 1.061 174 R CA 0.498 56.248 56.100 -0.583 0.000 1.081 174 R CB 1.037 30.652 30.300 -1.141 0.000 0.984 174 R HN 0.821 nan 8.270 nan 0.000 0.448 175 A N 2.672 125.473 122.820 -0.031 0.000 1.908 175 A HA -0.212 4.108 4.320 0.001 0.000 0.218 175 A C 1.992 179.668 177.584 0.153 0.000 1.181 175 A CA 2.087 54.215 52.037 0.151 0.000 0.627 175 A CB -0.684 18.413 19.000 0.161 0.000 0.818 175 A HN 0.899 nan 8.150 nan 0.000 0.445 176 S N -1.673 114.042 115.700 0.024 0.000 2.515 176 S HA -0.114 4.357 4.470 0.001 0.000 0.231 176 S C 1.663 176.383 174.600 0.199 0.000 0.987 176 S CA 0.932 59.196 58.200 0.108 0.000 0.936 176 S CB -0.693 62.569 63.200 0.104 0.000 0.766 176 S HN 0.510 nan 8.310 nan 0.000 0.528 177 Y N 1.764 122.099 120.300 0.059 0.000 2.333 177 Y HA 0.093 4.644 4.550 0.000 0.000 0.290 177 Y C 2.468 178.436 175.900 0.114 0.000 1.144 177 Y CA 0.024 58.098 58.100 -0.042 0.000 1.228 177 Y CB -0.837 37.340 38.460 -0.473 0.000 0.985 177 Y HN 0.263 nan 8.280 nan 0.000 0.542 178 M N 0.008 119.863 119.600 0.425 0.000 2.267 178 M HA -0.215 4.265 4.480 0.001 0.000 0.263 178 M C 1.839 178.249 176.300 0.182 0.000 1.063 178 M CA 1.291 56.787 55.300 0.327 0.000 1.090 178 M CB -0.926 31.843 32.600 0.283 0.000 1.392 178 M HN 0.223 nan 8.290 nan 0.000 0.422 179 K N 0.367 120.872 120.400 0.175 0.000 2.211 179 K HA -0.153 4.167 4.320 0.001 0.000 0.204 179 K C 1.776 178.429 176.600 0.088 0.000 1.047 179 K CA 1.023 57.383 56.287 0.121 0.000 0.935 179 K CB -0.093 32.485 32.500 0.129 0.000 0.728 179 K HN 0.387 nan 8.250 nan 0.000 0.452 180 K N 0.349 120.808 120.400 0.098 0.000 2.442 180 K HA -0.058 4.263 4.320 0.001 0.000 0.198 180 K C 1.015 177.632 176.600 0.027 0.000 1.044 180 K CA 0.461 56.780 56.287 0.052 0.000 0.948 180 K CB -0.145 32.374 32.500 0.031 0.000 0.762 180 K HN 0.333 nan 8.250 nan 0.000 0.472 181 G N 0.821 109.639 108.800 0.031 0.000 2.645 181 G HA2 -0.356 3.605 3.960 0.001 0.000 0.246 181 G HA3 -0.356 3.605 3.960 0.001 0.000 0.246 181 G C 0.695 175.580 174.900 -0.025 0.000 1.322 181 G CA 0.193 45.291 45.100 -0.003 0.000 0.898 181 G HN 0.280 nan 8.290 nan 0.000 0.573 182 S N -0.511 115.163 115.700 -0.043 0.000 2.481 182 S HA 0.019 4.489 4.470 0.001 0.000 0.231 182 S C 1.906 176.477 174.600 -0.048 0.000 0.996 182 S CA 1.612 59.777 58.200 -0.058 0.000 0.942 182 S CB -0.046 63.112 63.200 -0.070 0.000 0.768 182 S HN 0.759 nan 8.310 nan 0.000 0.520 183 K N 0.602 120.980 120.400 -0.036 0.000 2.103 183 K HA -0.023 4.298 4.320 0.001 0.000 0.207 183 K C 1.636 178.214 176.600 -0.036 0.000 1.048 183 K CA 1.632 57.899 56.287 -0.034 0.000 0.930 183 K CB -0.184 32.301 32.500 -0.025 0.000 0.716 183 K HN 0.354 nan 8.250 nan 0.000 0.444 184 V N -0.252 119.643 119.914 -0.032 0.000 3.212 184 V HA 0.089 4.210 4.120 0.001 0.000 0.244 184 V C 0.866 176.940 176.094 -0.034 0.000 1.151 184 V CA 0.558 62.837 62.300 -0.034 0.000 1.119 184 V CB 0.223 32.026 31.823 -0.034 0.000 0.838 184 V HN 0.208 nan 8.190 nan 0.000 0.470 185 M N 1.443 121.023 119.600 -0.033 0.000 2.693 185 M HA 0.298 4.779 4.480 0.001 0.000 0.224 185 M C -2.103 174.148 176.300 -0.082 0.000 1.149 185 M CA -1.261 54.012 55.300 -0.046 0.000 0.622 185 M CB 2.090 34.686 32.600 -0.006 0.000 1.443 185 M HN 0.007 nan 8.290 nan 0.000 0.431 186 P HA -0.133 nan 4.420 nan 0.000 0.217 186 P C 0.657 177.898 177.300 -0.099 0.000 1.150 186 P CA 1.528 64.572 63.100 -0.093 0.000 0.832 186 P CB 0.103 31.750 31.700 -0.088 0.000 0.787 187 N N 0.054 118.703 118.700 -0.084 0.000 2.106 187 N HA -0.051 4.690 4.740 0.001 0.000 0.188 187 N C 2.043 177.479 175.510 -0.123 0.000 1.029 187 N CA 1.046 54.091 53.050 -0.009 0.000 0.848 187 N CB -0.458 37.995 38.487 -0.057 0.000 1.007 187 N HN 0.188 nan 8.380 nan 0.000 0.423 188 I N 1.246 121.644 120.570 -0.288 0.000 2.286 188 I HA -0.220 3.950 4.170 0.001 0.000 0.248 188 I C 2.410 178.321 176.117 -0.345 0.000 1.115 188 I CA 0.970 61.971 61.300 -0.500 0.000 1.392 188 I CB -0.127 37.505 38.000 -0.613 0.000 1.065 188 I HN 0.078 nan 8.210 nan 0.000 0.418 189 E N 1.565 121.637 120.200 -0.213 0.000 2.153 189 E HA -0.261 4.090 4.350 0.001 0.000 0.194 189 E C 2.055 178.558 176.600 -0.163 0.000 0.988 189 E CA 1.450 57.749 56.400 -0.168 0.000 0.811 189 E CB -0.109 29.520 29.700 -0.119 0.000 0.746 189 E HN 0.314 nan 8.360 nan 0.000 0.466 190 K N -0.128 120.181 120.400 -0.151 0.000 2.062 190 K HA -0.069 4.251 4.320 0.001 0.000 0.205 190 K C 2.139 178.691 176.600 -0.081 0.000 1.051 190 K CA 1.120 57.315 56.287 -0.153 0.000 0.941 190 K CB -0.170 32.143 32.500 -0.312 0.000 0.719 190 K HN 0.188 nan 8.250 nan 0.000 0.440 191 L N 0.851 122.012 121.223 -0.103 0.000 2.013 191 L HA -0.223 4.118 4.340 0.001 0.000 0.212 191 L C 2.941 179.767 176.870 -0.073 0.000 1.073 191 L CA 1.574 56.304 54.840 -0.184 0.000 0.753 191 L CB -0.526 41.306 42.059 -0.380 0.000 0.890 191 L HN 0.289 nan 8.230 nan 0.000 0.432 192 R N 0.176 120.571 120.500 -0.176 0.000 2.070 192 R HA -0.173 4.168 4.340 0.001 0.000 0.233 192 R C 2.582 178.775 176.300 -0.179 0.000 1.137 192 R CA 2.044 58.030 56.100 -0.190 0.000 0.945 192 R CB -0.214 29.929 30.300 -0.262 0.000 0.845 192 R HN 0.483 nan 8.270 nan 0.000 0.430 193 S N -0.770 114.829 115.700 -0.169 0.000 2.406 193 S HA -0.130 4.340 4.470 0.001 0.000 0.228 193 S C 2.302 176.838 174.600 -0.106 0.000 1.020 193 S CA 0.920 59.026 58.200 -0.156 0.000 0.965 193 S CB -0.579 62.537 63.200 -0.140 0.000 0.798 193 S HN 0.546 nan 8.310 nan 0.000 0.488 194 c N 1.566 120.148 118.600 -0.029 0.000 2.512 194 c HA 0.493 5.064 4.570 0.001 0.000 0.276 194 c C 1.870 175.988 174.090 0.046 0.000 1.368 194 c CA 0.147 56.474 56.329 -0.003 0.000 1.755 194 c CB -1.399 41.245 42.510 0.224 0.000 2.008 194 c HN 0.679 nan 8.230 nan 0.000 0.511 195 G N -0.190 108.715 108.800 0.175 0.000 2.882 195 G HA2 0.454 4.414 3.960 0.001 0.000 0.164 195 G HA3 0.454 4.414 3.960 0.001 0.000 0.164 195 G C -0.787 174.177 174.900 0.106 0.000 1.429 195 G CA 0.169 45.365 45.100 0.159 0.000 1.059 195 G HN 0.336 nan 8.290 nan 0.000 0.581 196 T N 0.842 115.445 114.554 0.081 0.000 2.771 196 T HA 0.538 4.889 4.350 0.001 0.000 0.281 196 T C -0.695 174.104 174.700 0.165 0.000 0.982 196 T CA -0.291 61.890 62.100 0.135 0.000 0.978 196 T CB 0.917 69.895 68.868 0.182 0.000 0.930 196 T HN 0.704 nan 8.240 nan 0.000 0.447 197 H N 0.388 119.524 119.070 0.109 0.000 2.895 197 H HA 0.801 5.357 4.556 -0.000 0.000 0.373 197 H C -1.452 174.016 175.328 0.233 0.000 1.174 197 H CA -1.145 54.992 56.048 0.147 0.000 1.144 197 H CB 1.441 31.236 29.762 0.054 0.000 1.793 197 H HN 0.669 nan 8.280 nan 0.000 0.551 198 A N 2.785 125.724 122.820 0.199 0.000 2.320 198 A HA 0.469 4.790 4.320 0.001 0.000 0.334 198 A C -1.818 175.799 177.584 0.055 0.000 1.147 198 A CA -1.827 50.235 52.037 0.041 0.000 0.820 198 A CB 1.052 20.122 19.000 0.116 0.000 1.218 198 A HN 0.675 nan 8.150 nan 0.000 0.482 199 P HA -0.009 nan 4.420 nan 0.000 0.223 199 P C -0.442 177.001 177.300 0.237 0.000 1.151 199 P CA 1.585 64.761 63.100 0.126 0.000 0.787 199 P CB -0.240 31.496 31.700 0.061 0.000 0.788 200 Y N -3.988 116.350 120.300 0.064 0.000 2.774 200 Y HA 0.631 5.182 4.550 0.001 0.000 0.346 200 Y C -1.353 174.477 175.900 -0.116 0.000 1.222 200 Y CA -1.779 56.331 58.100 0.018 0.000 1.088 200 Y CB 0.360 38.836 38.460 0.026 0.000 1.354 200 Y HN -0.252 nan 8.280 nan 0.000 0.455 201 M N 2.880 122.533 119.600 0.089 0.000 2.326 201 M HA 0.537 5.017 4.480 0.001 0.000 0.306 201 M C -1.163 175.164 176.300 0.044 0.000 1.054 201 M CA -0.865 54.318 55.300 -0.196 0.000 0.922 201 M CB 2.024 34.421 32.600 -0.339 0.000 1.632 201 M HN 0.906 nan 8.290 nan 0.000 0.436 202 R N 6.163 126.684 120.500 0.035 0.000 2.267 202 R HA 0.477 4.817 4.340 0.001 0.000 0.319 202 R C -2.541 173.818 176.300 0.099 0.000 1.067 202 R CA -1.201 54.963 56.100 0.107 0.000 0.936 202 R CB 0.756 31.130 30.300 0.123 0.000 1.006 202 R HN 0.373 nan 8.270 nan 0.000 0.452 203 P HA 0.082 nan 4.420 nan 0.000 0.282 203 P C -0.653 176.756 177.300 0.182 0.000 1.287 203 P CA -0.469 62.725 63.100 0.156 0.000 0.792 203 P CB 0.746 32.553 31.700 0.178 0.000 1.163 204 V N -2.513 117.523 119.914 0.203 0.000 2.743 204 V HA 0.387 4.507 4.120 0.001 0.000 0.301 204 V C -0.238 175.975 176.094 0.199 0.000 1.057 204 V CA -0.975 61.463 62.300 0.231 0.000 1.006 204 V CB 0.459 32.444 31.823 0.268 0.000 1.024 204 V HN 0.457 nan 8.190 nan 0.000 0.473 205 Y N 4.466 124.788 120.300 0.036 0.000 2.309 205 Y HA 0.571 5.121 4.550 0.001 0.000 0.327 205 Y C -2.239 173.537 175.900 -0.207 0.000 1.172 205 Y CA -2.016 56.024 58.100 -0.100 0.000 1.280 205 Y CB 1.592 39.940 38.460 -0.187 0.000 1.234 205 Y HN 0.569 nan 8.280 nan 0.000 0.512 206 P HA 0.063 nan 4.420 nan 0.000 0.275 206 P C -0.566 176.546 177.300 -0.312 0.000 1.227 206 P CA -0.275 62.187 63.100 -1.064 0.000 0.781 206 P CB 0.612 31.803 31.700 -0.847 0.000 0.906 207 T N 0.279 114.743 114.554 -0.149 0.000 4.320 207 T HA 0.194 4.545 4.350 0.001 0.000 0.221 207 T C 0.290 174.989 174.700 -0.002 0.000 0.896 207 T CA -0.306 61.815 62.100 0.035 0.000 0.928 207 T CB -0.884 68.068 68.868 0.140 0.000 1.369 207 T HN 0.167 nan 8.240 nan 0.000 0.836 208 K N 0.108 120.516 120.400 0.013 0.000 2.313 208 K HA 0.429 4.749 4.320 0.001 0.000 0.235 208 K C 0.954 177.716 176.600 0.270 0.000 1.035 208 K CA -0.946 55.396 56.287 0.091 0.000 0.868 208 K CB 1.198 33.720 32.500 0.036 0.000 1.232 208 K HN -0.037 nan 8.250 nan 0.000 0.459 209 T N 0.644 115.442 114.554 0.407 0.000 2.812 209 T HA -0.038 4.313 4.350 0.001 0.000 0.264 209 T C 1.584 176.547 174.700 0.438 0.000 1.042 209 T CA 1.345 63.733 62.100 0.480 0.000 1.140 209 T CB -0.193 68.989 68.868 0.524 0.000 0.870 209 T HN 0.301 nan 8.240 nan 0.000 0.445 210 F N 1.436 121.497 119.950 0.185 0.000 2.102 210 F HA 0.062 4.589 4.527 0.001 0.000 0.298 210 F C -0.684 175.223 175.800 0.179 0.000 1.105 210 F CA 0.457 58.562 58.000 0.175 0.000 1.239 210 F CB -1.638 37.452 39.000 0.149 0.000 0.991 210 F HN 0.195 nan 8.300 nan 0.000 0.474 211 P HA -0.115 nan 4.420 nan 0.000 0.217 211 P C 1.326 178.827 177.300 0.336 0.000 1.150 211 P CA 1.458 64.758 63.100 0.333 0.000 0.832 211 P CB 0.005 31.840 31.700 0.226 0.000 0.787 212 N N -0.776 118.091 118.700 0.279 0.000 2.216 212 N HA -0.022 4.718 4.740 0.001 0.000 0.183 212 N C 1.747 177.385 175.510 0.214 0.000 1.017 212 N CA 0.958 54.158 53.050 0.250 0.000 0.861 212 N CB -0.465 38.173 38.487 0.251 0.000 0.986 212 N HN 0.169 nan 8.380 nan 0.000 0.428 213 L N -0.382 120.960 121.223 0.198 0.000 2.093 213 L HA -0.165 4.175 4.340 0.001 0.000 0.208 213 L C 2.246 179.231 176.870 0.191 0.000 1.085 213 L CA 1.093 56.027 54.840 0.157 0.000 0.755 213 L CB -0.450 41.639 42.059 0.051 0.000 0.904 213 L HN 0.198 nan 8.230 nan 0.000 0.435 214 Y N 0.117 120.416 120.300 -0.001 0.000 2.314 214 Y HA -0.227 4.324 4.550 0.001 0.000 0.293 214 Y C 2.704 178.476 175.900 -0.213 0.000 1.129 214 Y CA 1.345 59.362 58.100 -0.138 0.000 1.201 214 Y CB 0.161 38.430 38.460 -0.319 0.000 0.999 214 Y HN 0.068 nan 8.280 nan 0.000 0.541 215 T N 0.813 115.379 114.554 0.020 0.000 2.708 215 T HA -0.225 4.125 4.350 0.001 0.000 0.266 215 T C 1.764 176.462 174.700 -0.003 0.000 1.037 215 T CA 1.525 63.680 62.100 0.091 0.000 1.146 215 T CB -0.585 68.431 68.868 0.247 0.000 0.865 215 T HN 0.263 nan 8.240 nan 0.000 0.435 216 L N 1.419 122.688 121.223 0.075 0.000 2.043 216 L HA -0.036 4.304 4.340 0.001 0.000 0.212 216 L C 2.453 179.373 176.870 0.085 0.000 1.075 216 L CA 2.042 56.951 54.840 0.115 0.000 0.752 216 L CB -0.862 41.302 42.059 0.175 0.000 0.891 216 L HN 0.228 nan 8.230 nan 0.000 0.432 217 A N -2.064 120.754 122.820 -0.003 0.000 2.066 217 A HA -0.074 4.247 4.320 0.001 0.000 0.218 217 A C 2.058 179.416 177.584 -0.377 0.000 1.157 217 A CA 1.740 53.727 52.037 -0.084 0.000 0.670 217 A CB -0.757 18.204 19.000 -0.065 0.000 0.804 217 A HN 0.618 nan 8.150 nan 0.000 0.453 218 T N -6.441 107.768 114.554 -0.574 0.000 2.969 218 T HA 0.417 4.767 4.350 0.001 0.000 0.258 218 T C 1.353 175.450 174.700 -1.005 0.000 0.962 218 T CA 1.058 62.575 62.100 -0.973 0.000 0.903 218 T CB 0.148 68.506 68.868 -0.850 0.000 1.177 218 T HN 1.606 nan 8.240 nan 0.000 0.511 219 G N 1.735 110.260 108.800 -0.459 0.000 2.179 219 G HA2 -0.215 3.745 3.960 0.001 0.000 0.257 219 G HA3 -0.215 3.745 3.960 0.001 0.000 0.257 219 G C -0.145 174.566 174.900 -0.314 0.000 1.010 219 G CA 0.580 45.521 45.100 -0.265 0.000 0.736 219 G HN 0.662 nan 8.290 nan 0.000 0.513 220 L N -0.798 120.268 121.223 -0.262 0.000 2.330 220 L HA 0.634 4.975 4.340 0.001 0.000 0.271 220 L C 0.597 177.388 176.870 -0.132 0.000 1.013 220 L CA -1.710 52.995 54.840 -0.225 0.000 0.816 220 L CB 0.972 42.962 42.059 -0.114 0.000 1.287 220 L HN 0.049 nan 8.230 nan 0.000 0.435 221 Y N 1.751 122.001 120.300 -0.083 0.000 2.480 221 Y HA 0.056 4.606 4.550 0.001 0.000 0.338 221 Y C -1.413 174.283 175.900 -0.340 0.000 1.220 221 Y CA -1.580 56.462 58.100 -0.097 0.000 1.430 221 Y CB -0.175 38.244 38.460 -0.069 0.000 1.311 221 Y HN 0.433 nan 8.280 nan 0.000 0.575 222 P HA -0.237 nan 4.420 nan 0.000 0.216 222 P C 1.160 178.242 177.300 -0.365 0.000 1.150 222 P CA 2.275 65.003 63.100 -0.619 0.000 0.843 222 P CB 0.100 31.793 31.700 -0.012 0.000 0.787 223 E N -1.033 119.100 120.200 -0.111 0.000 2.204 223 E HA -0.125 4.226 4.350 0.001 0.000 0.195 223 E C 1.464 178.006 176.600 -0.097 0.000 0.990 223 E CA 1.396 57.729 56.400 -0.112 0.000 0.821 223 E CB -0.721 28.937 29.700 -0.070 0.000 0.750 223 E HN 0.146 nan 8.360 nan 0.000 0.477 224 S N 0.567 116.214 115.700 -0.088 0.000 2.427 224 S HA -0.048 4.422 4.470 0.001 0.000 0.224 224 S C 1.609 176.201 174.600 -0.015 0.000 1.047 224 S CA 0.739 58.909 58.200 -0.051 0.000 0.953 224 S CB -0.171 63.013 63.200 -0.027 0.000 0.824 224 S HN 0.674 nan 8.310 nan 0.000 0.502 225 H N 0.046 119.143 119.070 0.045 0.000 2.529 225 H HA 0.385 4.942 4.556 0.001 0.000 0.277 225 H C 1.436 176.831 175.328 0.112 0.000 0.999 225 H CA 0.942 57.054 56.048 0.107 0.000 1.256 225 H CB -0.604 29.247 29.762 0.149 0.000 1.402 225 H HN 0.376 nan 8.280 nan 0.000 0.566 226 G N 0.546 109.420 108.800 0.124 0.000 2.254 226 G HA2 -0.234 3.726 3.960 0.001 0.000 0.225 226 G HA3 -0.234 3.726 3.960 0.001 0.000 0.225 226 G C 0.136 175.016 174.900 -0.033 0.000 1.003 226 G CA 0.100 45.221 45.100 0.034 0.000 0.622 226 G HN 0.302 nan 8.290 nan 0.000 0.507 227 I N 3.553 124.202 120.570 0.131 0.000 2.224 227 I HA 0.259 4.429 4.170 0.001 0.000 0.293 227 I C 1.926 178.063 176.117 0.033 0.000 1.155 227 I CA 0.065 61.283 61.300 -0.137 0.000 1.297 227 I CB 0.132 37.998 38.000 -0.222 0.000 1.487 227 I HN 0.367 nan 8.210 nan 0.000 0.564 228 V N 2.193 122.070 119.914 -0.062 0.000 3.623 228 V HA 0.567 4.687 4.120 0.001 0.000 0.271 228 V C 0.763 176.921 176.094 0.107 0.000 1.248 228 V CA 0.553 62.897 62.300 0.073 0.000 1.156 228 V CB -0.223 31.591 31.823 -0.015 0.000 0.870 228 V HN 0.616 nan 8.190 nan 0.000 0.453 229 G N -0.650 108.130 108.800 -0.034 0.000 2.576 229 G HA2 0.325 4.286 3.960 0.001 0.000 0.290 229 G HA3 0.325 4.286 3.960 0.001 0.000 0.290 229 G C -0.442 174.413 174.900 -0.075 0.000 1.442 229 G CA -0.176 44.900 45.100 -0.040 0.000 0.792 229 G HN -0.088 nan 8.290 nan 0.000 0.491 230 N N -0.459 118.214 118.700 -0.044 0.000 2.309 230 N HA 0.057 4.798 4.740 0.001 0.000 0.182 230 N C 0.649 176.126 175.510 -0.055 0.000 1.018 230 N CA 0.981 53.980 53.050 -0.085 0.000 0.876 230 N CB 0.167 38.592 38.487 -0.104 0.000 0.972 230 N HN 0.352 nan 8.380 nan 0.000 0.434 231 S N 0.056 115.724 115.700 -0.053 0.000 2.526 231 S HA 0.749 5.219 4.470 0.001 0.000 0.293 231 S C -0.262 174.277 174.600 -0.102 0.000 1.092 231 S CA -0.788 57.378 58.200 -0.057 0.000 0.980 231 S CB 2.210 65.404 63.200 -0.009 0.000 1.048 231 S HN 0.176 nan 8.310 nan 0.000 0.483 232 M N 1.415 120.926 119.600 -0.147 0.000 2.643 232 M HA 0.563 5.044 4.480 0.001 0.000 0.276 232 M C -2.120 174.215 176.300 0.059 0.000 1.200 232 M CA -1.035 54.225 55.300 -0.067 0.000 0.863 232 M CB 1.579 34.106 32.600 -0.122 0.000 1.711 232 M HN 0.587 nan 8.290 nan 0.000 0.492 233 Y N 0.962 121.273 120.300 0.019 0.000 2.341 233 Y HA 0.553 5.104 4.550 0.001 0.000 0.338 233 Y C -1.529 174.439 175.900 0.112 0.000 0.965 233 Y CA -0.531 57.627 58.100 0.097 0.000 1.108 233 Y CB 1.375 39.851 38.460 0.026 0.000 1.180 233 Y HN 0.784 nan 8.280 nan 0.000 0.458 234 D N 8.679 128.841 120.400 -0.397 0.000 2.392 234 D HA 0.250 4.891 4.640 0.001 0.000 0.228 234 D C -2.057 173.700 176.300 -0.905 0.000 1.074 234 D CA -2.238 51.397 54.000 -0.607 0.000 0.838 234 D CB 2.326 42.618 40.800 -0.847 0.000 1.067 234 D HN 0.386 nan 8.370 nan 0.000 0.511 235 P HA -0.098 nan 4.420 nan 0.000 0.223 235 P C 1.510 178.647 177.300 -0.273 0.000 1.151 235 P CA 0.340 63.183 63.100 -0.429 0.000 0.787 235 P CB 0.679 32.306 31.700 -0.120 0.000 0.788 236 V N -0.767 118.945 119.914 -0.336 0.000 2.346 236 V HA -0.163 3.958 4.120 0.001 0.000 0.244 236 V C 2.417 178.476 176.094 -0.059 0.000 1.037 236 V CA 1.570 63.744 62.300 -0.210 0.000 1.029 236 V CB -1.440 30.227 31.823 -0.259 0.000 0.663 236 V HN -0.089 nan 8.190 nan 0.000 0.454 237 F N 0.267 120.057 119.950 -0.266 0.000 2.234 237 F HA 0.028 4.555 4.527 0.001 0.000 0.299 237 F C 1.486 177.200 175.800 -0.143 0.000 1.087 237 F CA 0.784 58.646 58.000 -0.230 0.000 1.340 237 F CB -1.051 37.740 39.000 -0.348 0.000 1.031 237 F HN 0.344 nan 8.300 nan 0.000 0.500 238 D N -0.115 120.259 120.400 -0.043 0.000 2.697 238 D HA -0.091 4.550 4.640 0.001 0.000 0.238 238 D C -0.405 176.006 176.300 0.185 0.000 1.152 238 D CA 0.730 54.750 54.000 0.033 0.000 0.666 238 D CB -0.945 39.938 40.800 0.138 0.000 1.037 238 D HN 0.412 nan 8.370 nan 0.000 0.423 239 A N -0.066 122.851 122.820 0.162 0.000 2.556 239 A HA 0.798 5.119 4.320 0.001 0.000 0.294 239 A C -0.209 177.673 177.584 0.496 0.000 1.091 239 A CA -0.376 51.882 52.037 0.368 0.000 0.704 239 A CB 1.962 21.214 19.000 0.420 0.000 1.300 239 A HN 0.141 nan 8.150 nan 0.000 0.406 240 T N 1.221 116.016 114.554 0.402 0.000 2.807 240 T HA 0.532 4.883 4.350 0.001 0.000 0.279 240 T C -0.958 173.682 174.700 -0.100 0.000 0.993 240 T CA -0.024 62.188 62.100 0.186 0.000 0.970 240 T CB 0.680 69.598 68.868 0.083 0.000 0.950 240 T HN 0.507 nan 8.240 nan 0.000 0.441 241 F N 4.421 123.988 119.950 -0.638 0.000 2.420 241 F HA 0.518 5.045 4.527 0.001 0.000 0.342 241 F C -0.041 175.288 175.800 -0.786 0.000 1.113 241 F CA -0.389 57.050 58.000 -0.934 0.000 1.059 241 F CB 0.599 38.614 39.000 -1.642 0.000 1.128 241 F HN 0.529 nan 8.300 nan 0.000 0.475 242 H N 6.315 125.025 119.070 -0.600 0.000 2.821 242 H HA 0.297 4.853 4.556 0.001 0.000 0.373 242 H C 0.767 175.711 175.328 -0.640 0.000 1.165 242 H CA -0.608 55.185 56.048 -0.426 0.000 1.154 242 H CB 2.265 31.868 29.762 -0.266 0.000 1.765 242 H HN 0.691 nan 8.280 nan 0.000 0.549 243 L N 0.800 121.809 121.223 -0.357 0.000 1.997 243 L HA -0.217 4.123 4.340 0.001 0.000 0.216 243 L C 1.660 178.345 176.870 -0.307 0.000 1.074 243 L CA 1.996 56.558 54.840 -0.464 0.000 0.763 243 L CB -0.286 41.589 42.059 -0.307 0.000 0.890 243 L HN 0.574 nan 8.230 nan 0.000 0.434 244 R N 0.487 120.870 120.500 -0.196 0.000 2.349 244 R HA 0.574 4.915 4.340 0.001 0.000 0.299 244 R C 0.259 176.490 176.300 -0.115 0.000 1.027 244 R CA 0.174 56.195 56.100 -0.131 0.000 0.958 244 R CB 0.333 30.563 30.300 -0.117 0.000 1.047 244 R HN 0.434 nan 8.270 nan 0.000 0.468 245 G N -1.453 107.312 108.800 -0.059 0.000 2.440 245 G HA2 0.424 4.385 3.960 0.001 0.000 0.684 245 G HA3 0.424 4.385 3.960 0.001 0.000 0.684 245 G C 0.528 175.453 174.900 0.040 0.000 1.309 245 G CA 0.410 45.498 45.100 -0.020 0.000 0.931 245 G HN 1.483 nan 8.290 nan 0.000 0.612 246 R N -0.189 120.370 120.500 0.098 0.000 2.127 246 R HA 0.310 4.650 4.340 0.001 0.000 0.217 246 R C 2.181 178.610 176.300 0.214 0.000 1.074 246 R CA 2.090 58.334 56.100 0.240 0.000 0.991 246 R CB -0.982 29.389 30.300 0.118 0.000 0.895 246 R HN 1.012 nan 8.270 nan 0.000 0.450 247 E N 2.161 122.403 120.200 0.071 0.000 2.114 247 E HA -0.268 4.083 4.350 0.001 0.000 0.199 247 E C 1.960 178.565 176.600 0.008 0.000 1.008 247 E CA 2.395 58.852 56.400 0.094 0.000 0.810 247 E CB -0.189 29.544 29.700 0.055 0.000 0.739 247 E HN 0.775 nan 8.360 nan 0.000 0.456 248 K N -0.915 119.236 120.400 -0.414 0.000 2.360 248 K HA -0.143 4.178 4.320 0.001 0.000 0.201 248 K C 1.538 178.166 176.600 0.047 0.000 1.046 248 K CA 1.396 57.334 56.287 -0.582 0.000 0.940 248 K CB -0.431 31.399 32.500 -1.116 0.000 0.748 248 K HN 0.139 nan 8.250 nan 0.000 0.465 249 F N 1.586 121.633 119.950 0.161 0.000 2.710 249 F HA 0.077 4.604 4.527 0.001 0.000 0.298 249 F C 0.958 176.992 175.800 0.390 0.000 1.137 249 F CA -0.277 57.839 58.000 0.195 0.000 1.444 249 F CB -0.299 38.665 39.000 -0.059 0.000 1.111 249 F HN 0.070 nan 8.300 nan 0.000 0.580 250 N N 0.875 119.926 118.700 0.584 0.000 2.468 250 N HA -0.087 4.654 4.740 0.001 0.000 0.265 250 N C 1.057 177.009 175.510 0.737 0.000 1.199 250 N CA 0.464 53.840 53.050 0.543 0.000 0.928 250 N CB 0.214 38.971 38.487 0.449 0.000 1.059 250 N HN 0.412 nan 8.380 nan 0.000 0.467 251 H N 2.746 122.040 119.070 0.373 0.000 2.521 251 H HA -0.091 4.465 4.556 0.001 0.000 0.286 251 H C 1.515 177.078 175.328 0.392 0.000 1.034 251 H CA 0.567 56.853 56.048 0.397 0.000 1.278 251 H CB 0.633 30.525 29.762 0.218 0.000 1.386 251 H HN 0.639 nan 8.280 nan 0.000 0.567 252 R N 0.410 121.096 120.500 0.309 0.000 2.241 252 R HA -0.154 4.186 4.340 0.001 0.000 0.224 252 R C 1.080 177.458 176.300 0.130 0.000 1.101 252 R CA 1.334 57.467 56.100 0.054 0.000 0.995 252 R CB -0.564 29.467 30.300 -0.449 0.000 0.870 252 R HN 0.346 nan 8.270 nan 0.000 0.463 253 W N 0.343 121.814 121.300 0.285 0.000 2.476 253 W HA 0.111 4.772 4.660 0.001 0.000 0.281 253 W C -0.001 176.385 176.519 -0.220 0.000 1.230 253 W CA -0.355 56.990 57.345 -0.000 0.000 1.287 253 W CB -0.034 29.301 29.460 -0.209 0.000 1.108 253 W HN 0.003 nan 8.180 nan 0.000 0.567 254 W N 1.390 122.821 121.300 0.219 0.000 2.311 254 W HA 0.568 5.229 4.660 0.001 0.000 0.317 254 W C 0.578 177.181 176.519 0.140 0.000 1.065 254 W CA -0.828 56.537 57.345 0.032 0.000 1.364 254 W CB 0.142 29.515 29.460 -0.146 0.000 1.233 254 W HN -0.253 nan 8.180 nan 0.000 0.409 255 G N 1.059 110.085 108.800 0.376 0.000 2.613 255 G HA2 0.680 4.641 3.960 0.001 0.000 0.303 255 G HA3 0.680 4.641 3.960 0.001 0.000 0.303 255 G C 0.415 175.468 174.900 0.255 0.000 1.312 255 G CA -0.050 45.210 45.100 0.266 0.000 1.036 255 G HN 0.949 nan 8.290 nan 0.000 0.513 256 G N -1.261 107.589 108.800 0.083 0.000 2.698 256 G HA2 -0.057 3.904 3.960 0.001 0.000 0.233 256 G HA3 -0.057 3.904 3.960 0.001 0.000 0.233 256 G C -0.070 174.752 174.900 -0.129 0.000 1.352 256 G CA 0.464 45.528 45.100 -0.061 0.000 0.879 256 G HN 0.997 nan 8.290 nan 0.000 0.567 257 Q N 0.566 120.193 119.800 -0.288 0.000 2.397 257 Q HA 0.494 4.834 4.340 0.001 0.000 0.260 257 Q C -2.485 173.194 176.000 -0.535 0.000 1.002 257 Q CA -1.890 53.719 55.803 -0.322 0.000 0.716 257 Q CB 2.351 30.963 28.738 -0.210 0.000 1.258 257 Q HN 0.564 nan 8.270 nan 0.000 0.477 258 P HA -0.024 nan 4.420 nan 0.000 0.274 258 P C 0.659 177.416 177.300 -0.906 0.000 1.237 258 P CA -0.423 62.022 63.100 -1.092 0.000 0.793 258 P CB 1.041 31.630 31.700 -1.852 0.000 0.977 259 L N 1.778 122.652 121.223 -0.581 0.000 2.043 259 L HA -0.151 4.190 4.340 0.001 0.000 0.212 259 L C 2.288 178.946 176.870 -0.353 0.000 1.075 259 L CA 1.997 56.699 54.840 -0.230 0.000 0.752 259 L CB -1.546 40.501 42.059 -0.021 0.000 0.891 259 L HN 0.599 nan 8.230 nan 0.000 0.432 260 W N -1.522 119.448 121.300 -0.551 0.000 2.402 260 W HA -0.053 4.607 4.660 0.000 0.000 0.286 260 W C 1.918 178.282 176.519 -0.258 0.000 1.221 260 W CA 0.355 57.392 57.345 -0.513 0.000 1.257 260 W CB -0.869 28.150 29.460 -0.734 0.000 1.120 260 W HN -0.014 nan 8.180 nan 0.000 0.551 261 I N 1.474 121.740 120.570 -0.506 0.000 2.233 261 I HA -0.198 3.973 4.170 0.001 0.000 0.243 261 I C 2.308 178.319 176.117 -0.177 0.000 1.093 261 I CA 1.754 62.889 61.300 -0.274 0.000 1.380 261 I CB -1.806 35.984 38.000 -0.350 0.000 1.067 261 I HN 0.060 nan 8.210 nan 0.000 0.413 262 T N 1.691 116.126 114.554 -0.198 0.000 2.699 262 T HA -0.190 4.161 4.350 0.001 0.000 0.268 262 T C 2.058 176.710 174.700 -0.079 0.000 1.036 262 T CA 1.785 63.824 62.100 -0.102 0.000 1.147 262 T CB -0.377 68.461 68.868 -0.049 0.000 0.862 262 T HN 0.447 nan 8.240 nan 0.000 0.446 263 A N 1.336 124.109 122.820 -0.079 0.000 1.877 263 A HA -0.135 4.186 4.320 0.001 0.000 0.216 263 A C 2.600 180.162 177.584 -0.037 0.000 1.186 263 A CA 2.174 54.185 52.037 -0.044 0.000 0.620 263 A CB -1.316 17.675 19.000 -0.014 0.000 0.822 263 A HN 0.485 nan 8.150 nan 0.000 0.443 264 T N 0.091 114.623 114.554 -0.037 0.000 2.708 264 T HA -0.139 4.211 4.350 0.001 0.000 0.266 264 T C 1.895 176.577 174.700 -0.031 0.000 1.037 264 T CA 1.652 63.734 62.100 -0.029 0.000 1.146 264 T CB -0.236 68.622 68.868 -0.017 0.000 0.865 264 T HN 0.486 nan 8.240 nan 0.000 0.435 265 K N 0.835 121.213 120.400 -0.036 0.000 2.281 265 K HA -0.057 4.263 4.320 0.001 0.000 0.203 265 K C 1.907 178.492 176.600 -0.026 0.000 1.046 265 K CA 1.024 57.292 56.287 -0.031 0.000 0.938 265 K CB -0.053 32.425 32.500 -0.036 0.000 0.737 265 K HN 0.453 nan 8.250 nan 0.000 0.458 266 Q N -0.698 119.085 119.800 -0.028 0.000 2.204 266 Q HA 0.109 4.449 4.340 0.001 0.000 0.209 266 Q C 0.334 176.322 176.000 -0.020 0.000 0.861 266 Q CA 0.125 55.914 55.803 -0.022 0.000 0.971 266 Q CB 1.126 29.849 28.738 -0.024 0.000 1.095 266 Q HN 0.436 nan 8.270 nan 0.000 0.486 267 G N 0.507 109.294 108.800 -0.023 0.000 2.160 267 G HA2 -0.241 3.720 3.960 0.001 0.000 0.251 267 G HA3 -0.241 3.720 3.960 0.001 0.000 0.251 267 G C -0.021 174.864 174.900 -0.025 0.000 1.008 267 G CA 0.063 45.149 45.100 -0.023 0.000 0.724 267 G HN 0.244 nan 8.290 nan 0.000 0.514 268 V N 0.323 120.222 119.914 -0.026 0.000 2.435 268 V HA 0.644 4.765 4.120 0.001 0.000 0.290 268 V C 0.733 176.805 176.094 -0.037 0.000 1.030 268 V CA -1.085 61.200 62.300 -0.025 0.000 0.881 268 V CB 1.682 33.497 31.823 -0.013 0.000 0.983 268 V HN 0.427 nan 8.190 nan 0.000 0.445 269 R N 3.922 124.389 120.500 -0.055 0.000 2.298 269 R HA 0.620 4.960 4.340 0.001 0.000 0.310 269 R C -0.250 175.977 176.300 -0.121 0.000 1.068 269 R CA 0.096 56.140 56.100 -0.093 0.000 0.957 269 R CB 0.643 30.876 30.300 -0.112 0.000 1.003 269 R HN 0.855 nan 8.270 nan 0.000 0.454 270 A N 3.410 126.161 122.820 -0.115 0.000 2.304 270 A HA 0.672 4.992 4.320 0.001 0.000 0.323 270 A C 0.267 177.704 177.584 -0.244 0.000 1.195 270 A CA -0.300 51.687 52.037 -0.084 0.000 0.826 270 A CB 1.240 20.294 19.000 0.090 0.000 1.184 270 A HN 0.851 nan 8.150 nan 0.000 0.496 271 G N 0.460 109.023 108.800 -0.396 0.000 2.683 271 G HA2 0.442 4.403 3.960 0.001 0.000 0.260 271 G HA3 0.442 4.403 3.960 0.001 0.000 0.260 271 G C 0.101 174.843 174.900 -0.264 0.000 1.238 271 G CA -0.096 44.663 45.100 -0.570 0.000 0.934 271 G HN 0.703 nan 8.290 nan 0.000 0.534 272 T N 0.374 114.736 114.554 -0.320 0.000 2.851 272 T HA 0.189 4.539 4.350 0.001 0.000 0.298 272 T C 0.011 174.554 174.700 -0.262 0.000 0.977 272 T CA 0.168 62.116 62.100 -0.253 0.000 1.126 272 T CB 0.732 69.416 68.868 -0.307 0.000 0.916 272 T HN 0.274 nan 8.240 nan 0.000 0.529 273 F N 1.617 121.252 119.950 -0.525 0.000 2.645 273 F HA 0.435 4.962 4.527 0.001 0.000 0.300 273 F C 0.738 176.230 175.800 -0.514 0.000 1.115 273 F CA -0.482 57.235 58.000 -0.471 0.000 1.355 273 F CB -0.045 38.531 39.000 -0.707 0.000 1.026 273 F HN 0.638 nan 8.300 nan 0.000 0.536 274 F N -1.370 118.303 119.950 -0.462 0.000 2.608 274 F HA 0.667 5.194 4.527 0.001 0.000 0.309 274 F C -1.566 173.964 175.800 -0.450 0.000 1.103 274 F CA -1.690 56.096 58.000 -0.356 0.000 0.954 274 F CB 0.233 39.058 39.000 -0.291 0.000 1.267 274 F HN -0.031 nan 8.300 nan 0.000 0.444 275 W N 2.212 123.502 121.300 -0.017 0.000 2.683 275 W HA 0.572 5.232 4.660 0.001 0.000 0.329 275 W C 0.319 176.887 176.519 0.082 0.000 1.037 275 W CA -0.984 56.388 57.345 0.045 0.000 1.232 275 W CB 2.178 31.626 29.460 -0.021 0.000 1.390 275 W HN 0.947 nan 8.180 nan 0.000 0.465 276 S N 1.746 117.647 115.700 0.336 0.000 2.552 276 S HA -0.008 4.463 4.470 0.001 0.000 0.289 276 S C 1.256 176.011 174.600 0.260 0.000 1.304 276 S CA 0.050 58.404 58.200 0.257 0.000 1.063 276 S CB 0.759 64.095 63.200 0.226 0.000 0.848 276 S HN 0.741 nan 8.310 nan 0.000 0.499 277 V N 3.389 123.424 119.914 0.202 0.000 2.594 277 V HA -0.075 4.046 4.120 0.001 0.000 0.253 277 V C 2.178 178.354 176.094 0.137 0.000 1.069 277 V CA 2.063 64.466 62.300 0.172 0.000 1.082 277 V CB -1.623 30.281 31.823 0.135 0.000 0.680 277 V HN 0.978 nan 8.190 nan 0.000 0.469 278 S N 0.277 116.066 115.700 0.148 0.000 2.522 278 S HA 0.193 4.664 4.470 0.001 0.000 0.227 278 S C 0.818 175.513 174.600 0.158 0.000 0.986 278 S CA 0.173 58.453 58.200 0.133 0.000 0.929 278 S CB -0.937 62.348 63.200 0.141 0.000 0.769 278 S HN 0.629 nan 8.310 nan 0.000 0.529 279 I N 4.348 125.041 120.570 0.205 0.000 2.379 279 I HA 0.251 4.422 4.170 0.001 0.000 0.290 279 I C -2.172 173.983 176.117 0.064 0.000 1.063 279 I CA -2.387 59.033 61.300 0.199 0.000 1.351 279 I CB 0.618 38.814 38.000 0.326 0.000 1.410 279 I HN 0.094 nan 8.210 nan 0.000 0.505 280 P HA 0.013 nan 4.420 nan 0.000 0.269 280 P C 0.315 177.492 177.300 -0.205 0.000 1.209 280 P CA 0.155 63.174 63.100 -0.135 0.000 0.776 280 P CB 0.506 32.123 31.700 -0.139 0.000 0.876 281 H N 0.737 119.628 119.070 -0.299 0.000 2.387 281 H HA -0.175 4.381 4.556 0.001 0.000 0.299 281 H C 1.493 176.567 175.328 -0.425 0.000 1.099 281 H CA 1.198 57.099 56.048 -0.246 0.000 1.315 281 H CB 0.094 29.823 29.762 -0.055 0.000 1.380 281 H HN 0.517 nan 8.280 nan 0.000 0.513 282 E N 0.428 120.277 120.200 -0.586 0.000 2.110 282 E HA -0.170 4.181 4.350 0.001 0.000 0.193 282 E C 2.226 178.370 176.600 -0.759 0.000 0.988 282 E CA 0.799 56.678 56.400 -0.868 0.000 0.804 282 E CB 0.037 28.670 29.700 -1.777 0.000 0.745 282 E HN 0.198 nan 8.360 nan 0.000 0.458 283 R N 1.098 121.145 120.500 -0.756 0.000 2.090 283 R HA 0.024 4.365 4.340 0.001 0.000 0.228 283 R C 1.838 177.830 176.300 -0.513 0.000 1.110 283 R CA 1.387 57.230 56.100 -0.429 0.000 0.973 283 R CB -0.065 30.126 30.300 -0.182 0.000 0.869 283 R HN 0.059 nan 8.270 nan 0.000 0.440 284 R N -0.023 120.099 120.500 -0.631 0.000 2.073 284 R HA -0.067 4.273 4.340 0.001 0.000 0.234 284 R C 2.096 177.982 176.300 -0.690 0.000 1.134 284 R CA 1.503 56.959 56.100 -1.073 0.000 0.952 284 R CB -0.498 28.986 30.300 -1.360 0.000 0.850 284 R HN 0.184 nan 8.270 nan 0.000 0.433 285 I N 1.259 121.548 120.570 -0.468 0.000 2.179 285 I HA -0.239 3.931 4.170 0.001 0.000 0.242 285 I C 2.387 178.317 176.117 -0.310 0.000 1.088 285 I CA 1.471 62.548 61.300 -0.370 0.000 1.357 285 I CB -0.987 36.796 38.000 -0.362 0.000 1.051 285 I HN 0.186 nan 8.210 nan 0.000 0.409 286 L N 0.041 121.085 121.223 -0.299 0.000 2.083 286 L HA -0.219 4.122 4.340 0.001 0.000 0.209 286 L C 2.532 179.231 176.870 -0.284 0.000 1.083 286 L CA 1.461 56.172 54.840 -0.215 0.000 0.752 286 L CB -0.951 41.032 42.059 -0.126 0.000 0.899 286 L HN 0.234 nan 8.230 nan 0.000 0.433 287 T N 0.087 114.366 114.554 -0.458 0.000 2.746 287 T HA -0.150 4.201 4.350 0.001 0.000 0.267 287 T C 1.914 176.152 174.700 -0.770 0.000 1.039 287 T CA 1.359 63.032 62.100 -0.711 0.000 1.142 287 T CB -0.200 68.085 68.868 -0.972 0.000 0.866 287 T HN 0.191 nan 8.240 nan 0.000 0.444 288 I N 0.666 120.968 120.570 -0.446 0.000 2.226 288 I HA -0.144 4.027 4.170 0.001 0.000 0.245 288 I C 2.186 178.235 176.117 -0.115 0.000 1.100 288 I CA 1.220 62.444 61.300 -0.126 0.000 1.374 288 I CB -0.346 37.635 38.000 -0.032 0.000 1.057 288 I HN 0.197 nan 8.210 nan 0.000 0.413 289 L N -0.202 120.931 121.223 -0.150 0.000 2.093 289 L HA -0.224 4.116 4.340 0.001 0.000 0.208 289 L C 2.613 179.481 176.870 -0.002 0.000 1.085 289 L CA 1.039 55.831 54.840 -0.079 0.000 0.755 289 L CB -0.529 41.482 42.059 -0.081 0.000 0.904 289 L HN 0.246 nan 8.230 nan 0.000 0.435 290 Q N -0.245 119.529 119.800 -0.043 0.000 2.020 290 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 290 Q C 2.026 178.154 176.000 0.213 0.000 0.982 290 Q CA 1.995 57.820 55.803 0.037 0.000 0.838 290 Q CB -0.267 28.446 28.738 -0.042 0.000 0.899 290 Q HN 0.358 nan 8.270 nan 0.000 0.423 291 W N 0.343 121.733 121.300 0.151 0.000 2.321 291 W HA -0.160 4.500 4.660 0.000 0.000 0.306 291 W C 1.922 178.576 176.519 0.224 0.000 1.217 291 W CA 0.840 58.322 57.345 0.229 0.000 1.257 291 W CB -1.045 28.659 29.460 0.407 0.000 1.145 291 W HN 0.248 nan 8.180 nan 0.000 0.509 292 L N 0.089 121.532 121.223 0.366 0.000 2.362 292 L HA -0.146 4.194 4.340 0.001 0.000 0.219 292 L C 1.879 178.917 176.870 0.279 0.000 1.134 292 L CA 0.970 55.980 54.840 0.283 0.000 0.807 292 L CB -0.599 41.527 42.059 0.112 0.000 0.927 292 L HN -0.191 nan 8.230 nan 0.000 0.447 293 S N -0.632 115.204 115.700 0.226 0.000 2.556 293 S HA 0.233 4.703 4.470 0.001 0.000 0.216 293 S C 0.763 175.461 174.600 0.163 0.000 0.970 293 S CA -0.255 58.056 58.200 0.185 0.000 0.912 293 S CB 0.032 63.316 63.200 0.140 0.000 0.790 293 S HN 0.151 nan 8.310 nan 0.000 0.504 294 L N 2.156 123.487 121.223 0.180 0.000 2.472 294 L HA 0.237 4.577 4.340 0.001 0.000 0.260 294 L C -2.158 174.757 176.870 0.075 0.000 1.209 294 L CA -2.101 52.822 54.840 0.139 0.000 0.817 294 L CB -0.201 41.955 42.059 0.161 0.000 1.106 294 L HN -0.046 nan 8.230 nan 0.000 0.479 295 P HA -0.042 nan 4.420 nan 0.000 0.266 295 P C -0.136 177.152 177.300 -0.020 0.000 1.193 295 P CA -0.055 63.057 63.100 0.021 0.000 0.770 295 P CB 0.399 32.112 31.700 0.022 0.000 0.836 296 D N 1.679 122.051 120.400 -0.046 0.000 2.191 296 D HA -0.208 4.432 4.640 0.001 0.000 0.195 296 D C 1.305 177.561 176.300 -0.074 0.000 1.003 296 D CA 1.609 55.553 54.000 -0.093 0.000 0.867 296 D CB -0.424 40.336 40.800 -0.068 0.000 0.926 296 D HN 0.522 nan 8.370 nan 0.000 0.450 297 N N -0.020 118.656 118.700 -0.041 0.000 2.398 297 N HA -0.060 4.680 4.740 0.001 0.000 0.188 297 N C 0.833 176.322 175.510 -0.036 0.000 1.122 297 N CA 0.383 53.411 53.050 -0.036 0.000 0.866 297 N CB 0.014 38.487 38.487 -0.022 0.000 0.970 297 N HN 0.254 nan 8.380 nan 0.000 0.462 298 E N -0.475 119.706 120.200 -0.031 0.000 2.453 298 E HA 0.120 4.471 4.350 0.001 0.000 0.211 298 E C 0.167 176.740 176.600 -0.046 0.000 0.897 298 E CA -0.460 55.920 56.400 -0.033 0.000 1.063 298 E CB 0.770 30.468 29.700 -0.003 0.000 1.080 298 E HN 0.164 nan 8.360 nan 0.000 0.512 299 R N 2.802 123.282 120.500 -0.033 0.000 2.484 299 R HA 0.083 4.424 4.340 0.001 0.000 0.293 299 R C -2.416 173.865 176.300 -0.032 0.000 1.023 299 R CA -1.458 54.645 56.100 0.004 0.000 1.037 299 R CB 0.281 30.561 30.300 -0.033 0.000 0.951 299 R HN -0.177 nan 8.270 nan 0.000 0.418 300 P HA 0.069 nan 4.420 nan 0.000 0.272 300 P C -0.413 176.816 177.300 -0.120 0.000 1.230 300 P CA -0.110 62.848 63.100 -0.237 0.000 0.788 300 P CB 1.062 32.377 31.700 -0.641 0.000 0.949 301 S N -0.502 115.131 115.700 -0.113 0.000 2.503 301 S HA 0.140 4.611 4.470 0.001 0.000 0.215 301 S C 0.544 175.196 174.600 0.086 0.000 1.003 301 S CA 0.009 58.240 58.200 0.051 0.000 0.910 301 S CB 0.214 63.442 63.200 0.047 0.000 0.790 301 S HN 0.350 nan 8.310 nan 0.000 0.514 302 V N 1.305 121.148 119.914 -0.118 0.000 2.760 302 V HA 0.657 4.777 4.120 0.001 0.000 0.309 302 V C -2.183 173.785 176.094 -0.210 0.000 1.077 302 V CA -0.799 61.531 62.300 0.050 0.000 0.910 302 V CB 1.714 33.667 31.823 0.216 0.000 1.008 302 V HN 0.336 nan 8.190 nan 0.000 0.424 303 Y N 3.590 123.958 120.300 0.115 0.000 2.553 303 Y HA 0.865 5.416 4.550 0.001 0.000 0.347 303 Y C 0.142 175.946 175.900 -0.159 0.000 1.019 303 Y CA -0.483 57.650 58.100 0.054 0.000 1.032 303 Y CB 2.505 41.094 38.460 0.215 0.000 1.284 303 Y HN 0.835 nan 8.280 nan 0.000 0.466 304 A N 2.244 125.013 122.820 -0.084 0.000 2.398 304 A HA 0.702 5.023 4.320 0.001 0.000 0.301 304 A C -2.106 175.625 177.584 0.245 0.000 1.041 304 A CA -0.533 51.400 52.037 -0.172 0.000 0.711 304 A CB 0.736 19.261 19.000 -0.792 0.000 1.240 304 A HN 0.642 nan 8.150 nan 0.000 0.420 305 F N 2.657 122.601 119.950 -0.010 0.000 2.469 305 F HA 0.710 5.239 4.527 0.002 0.000 0.332 305 F C -1.123 174.519 175.800 -0.263 0.000 1.103 305 F CA -0.774 57.100 58.000 -0.209 0.000 0.979 305 F CB 1.374 40.009 39.000 -0.609 0.000 1.137 305 F HN 0.630 nan 8.300 nan 0.000 0.463 306 Y N 4.449 123.995 120.300 -1.256 0.000 2.409 306 Y HA 0.577 5.127 4.550 0.001 0.000 0.343 306 Y C -1.245 173.855 175.900 -1.333 0.000 0.973 306 Y CA -0.848 56.711 58.100 -0.902 0.000 1.064 306 Y CB 1.771 40.024 38.460 -0.346 0.000 1.207 306 Y HN 0.598 nan 8.280 nan 0.000 0.452 307 S N 3.872 118.677 115.700 -1.491 0.000 2.519 307 S HA 0.344 4.814 4.470 0.001 0.000 0.309 307 S C -0.056 173.901 174.600 -1.071 0.000 1.100 307 S CA -0.625 56.909 58.200 -1.110 0.000 1.059 307 S CB 1.154 64.154 63.200 -0.333 0.000 1.008 307 S HN 0.816 nan 8.310 nan 0.000 0.478 308 E N 2.060 121.884 120.200 -0.626 0.000 2.418 308 E HA 0.071 4.422 4.350 0.001 0.000 0.197 308 E C 0.471 177.094 176.600 0.038 0.000 1.026 308 E CA 0.781 57.061 56.400 -0.200 0.000 0.862 308 E CB 0.141 29.877 29.700 0.061 0.000 0.799 308 E HN 0.539 nan 8.360 nan 0.000 0.518 309 Q N 0.169 120.008 119.800 0.064 0.000 2.205 309 Q HA 0.186 4.527 4.340 0.001 0.000 0.249 309 Q C -1.927 174.170 176.000 0.161 0.000 0.948 309 Q CA -1.926 53.969 55.803 0.153 0.000 0.895 309 Q CB 1.107 29.952 28.738 0.179 0.000 1.249 309 Q HN 0.004 nan 8.270 nan 0.000 0.458 310 P HA 0.014 nan 4.420 nan 0.000 0.256 310 P C 0.264 177.653 177.300 0.147 0.000 1.384 310 P CA 0.302 63.480 63.100 0.130 0.000 0.879 310 P CB 0.363 32.075 31.700 0.020 0.000 1.403 311 D N 0.182 120.685 120.400 0.171 0.000 2.126 311 D HA -0.255 4.386 4.640 0.001 0.000 0.190 311 D C 1.521 178.000 176.300 0.297 0.000 1.001 311 D CA 1.352 55.475 54.000 0.204 0.000 0.841 311 D CB -0.614 40.361 40.800 0.291 0.000 0.949 311 D HN 0.031 nan 8.370 nan 0.000 0.446 312 F N 0.698 120.789 119.950 0.235 0.000 2.102 312 F HA -0.105 4.422 4.527 0.001 0.000 0.298 312 F C 2.475 178.386 175.800 0.185 0.000 1.105 312 F CA 1.550 59.701 58.000 0.250 0.000 1.239 312 F CB -0.603 38.492 39.000 0.157 0.000 0.991 312 F HN -0.096 nan 8.300 nan 0.000 0.474 313 S N 0.274 116.016 115.700 0.069 0.000 2.383 313 S HA -0.132 4.339 4.470 0.001 0.000 0.229 313 S C 2.304 176.896 174.600 -0.013 0.000 1.030 313 S CA 1.117 59.325 58.200 0.012 0.000 1.002 313 S CB -1.211 62.096 63.200 0.179 0.000 0.829 313 S HN 0.636 nan 8.310 nan 0.000 0.467 314 G N 1.582 110.384 108.800 0.004 0.000 2.421 314 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 314 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 314 G C 1.188 176.056 174.900 -0.053 0.000 1.171 314 G CA 0.727 45.823 45.100 -0.007 0.000 0.775 314 G HN 0.496 nan 8.290 nan 0.000 0.543 315 H N 0.448 119.501 119.070 -0.028 0.000 2.319 315 H HA -0.074 4.483 4.556 0.001 0.000 0.299 315 H C 2.502 177.752 175.328 -0.130 0.000 1.092 315 H CA 1.721 57.747 56.048 -0.037 0.000 1.302 315 H CB -0.095 29.631 29.762 -0.061 0.000 1.373 315 H HN 0.398 nan 8.280 nan 0.000 0.497 316 K N -0.064 120.151 120.400 -0.308 0.000 2.057 316 K HA -0.147 4.173 4.320 0.001 0.000 0.206 316 K C 0.949 177.261 176.600 -0.480 0.000 1.050 316 K CA 1.428 57.378 56.287 -0.562 0.000 0.935 316 K CB 0.158 31.989 32.500 -1.116 0.000 0.715 316 K HN 0.178 nan 8.250 nan 0.000 0.439 317 Y N -0.831 119.434 120.300 -0.058 0.000 2.453 317 Y HA 0.321 4.871 4.550 0.001 0.000 0.247 317 Y C 0.473 176.365 175.900 -0.013 0.000 1.124 317 Y CA 0.086 58.164 58.100 -0.036 0.000 1.243 317 Y CB 1.291 39.720 38.460 -0.053 0.000 1.213 317 Y HN 0.218 nan 8.280 nan 0.000 0.523 318 G N 1.525 110.390 108.800 0.109 0.000 2.733 318 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 318 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 318 G C -1.912 172.999 174.900 0.018 0.000 1.373 318 G CA -0.487 44.651 45.100 0.063 0.000 0.838 318 G HN 0.026 nan 8.290 nan 0.000 0.588 319 P HA 0.007 nan 4.420 nan 0.000 0.220 319 P C 1.093 178.255 177.300 -0.230 0.000 1.148 319 P CA 1.348 64.339 63.100 -0.181 0.000 0.803 319 P CB -0.010 31.382 31.700 -0.513 0.000 0.782 320 F N -0.258 119.753 119.950 0.102 0.000 2.639 320 F HA 0.386 4.913 4.527 0.000 0.000 0.302 320 F C 1.735 177.543 175.800 0.013 0.000 1.097 320 F CA -0.952 57.082 58.000 0.057 0.000 1.294 320 F CB -0.700 38.329 39.000 0.048 0.000 1.027 320 F HN -0.190 nan 8.300 nan 0.000 0.550 321 G N 2.074 110.950 108.800 0.126 0.000 2.432 321 G HA2 0.185 4.145 3.960 0.001 0.000 0.239 321 G HA3 0.185 4.145 3.960 0.001 0.000 0.239 321 G C -1.322 173.558 174.900 -0.033 0.000 1.291 321 G CA -0.785 44.345 45.100 0.050 0.000 0.863 321 G HN 0.001 nan 8.290 nan 0.000 0.560 322 P HA -0.066 nan 4.420 nan 0.000 0.222 322 P C 0.914 178.106 177.300 -0.180 0.000 1.147 322 P CA 0.898 63.939 63.100 -0.098 0.000 0.790 322 P CB 0.396 32.044 31.700 -0.085 0.000 0.780 323 E N -0.936 119.081 120.200 -0.305 0.000 2.409 323 E HA -0.050 4.301 4.350 0.001 0.000 0.198 323 E C 1.860 178.279 176.600 -0.302 0.000 1.024 323 E CA 0.750 56.858 56.400 -0.487 0.000 0.861 323 E CB -0.657 28.252 29.700 -1.317 0.000 0.788 323 E HN 0.169 nan 8.360 nan 0.000 0.521 324 M N -0.091 119.383 119.600 -0.210 0.000 2.394 324 M HA -0.021 4.460 4.480 0.001 0.000 0.264 324 M C 1.601 177.769 176.300 -0.220 0.000 1.073 324 M CA 1.153 56.325 55.300 -0.213 0.000 1.111 324 M CB -0.871 31.540 32.600 -0.314 0.000 1.401 324 M HN 0.071 nan 8.290 nan 0.000 0.448 325 T N 0.606 115.054 114.554 -0.176 0.000 2.708 325 T HA -0.151 4.199 4.350 0.001 0.000 0.266 325 T C 1.668 176.305 174.700 -0.105 0.000 1.037 325 T CA 1.837 63.854 62.100 -0.139 0.000 1.146 325 T CB -0.412 68.393 68.868 -0.105 0.000 0.865 325 T HN 0.403 nan 8.240 nan 0.000 0.435 326 N N 1.479 120.123 118.700 -0.092 0.000 2.043 326 N HA -0.078 4.663 4.740 0.001 0.000 0.193 326 N C -1.077 174.416 175.510 -0.029 0.000 1.037 326 N CA 1.357 54.374 53.050 -0.055 0.000 0.851 326 N CB -0.707 37.751 38.487 -0.048 0.000 1.027 326 N HN 0.215 nan 8.380 nan 0.000 0.422 327 P HA -0.137 nan 4.420 nan 0.000 0.216 327 P C 1.290 178.598 177.300 0.013 0.000 1.153 327 P CA 1.157 64.267 63.100 0.015 0.000 0.858 327 P CB -0.058 31.651 31.700 0.014 0.000 0.789 328 L N -1.184 120.006 121.223 -0.055 0.000 2.046 328 L HA -0.163 4.177 4.340 0.001 0.000 0.208 328 L C 2.661 179.543 176.870 0.020 0.000 1.077 328 L CA 1.553 56.377 54.840 -0.028 0.000 0.747 328 L CB -0.691 41.286 42.059 -0.137 0.000 0.896 328 L HN -0.067 nan 8.230 nan 0.000 0.432 329 R N 0.056 120.548 120.500 -0.014 0.000 2.096 329 R HA -0.158 4.183 4.340 0.001 0.000 0.235 329 R C 2.157 178.459 176.300 0.004 0.000 1.127 329 R CA 1.328 57.420 56.100 -0.013 0.000 0.968 329 R CB -0.241 30.042 30.300 -0.028 0.000 0.861 329 R HN 0.513 nan 8.270 nan 0.000 0.440 330 E N 0.552 120.766 120.200 0.024 0.000 2.072 330 E HA -0.151 4.200 4.350 0.001 0.000 0.191 330 E C 2.094 178.741 176.600 0.078 0.000 0.985 330 E CA 0.982 57.405 56.400 0.038 0.000 0.801 330 E CB -0.111 29.615 29.700 0.043 0.000 0.750 330 E HN 0.341 nan 8.360 nan 0.000 0.452 331 I N 1.424 122.075 120.570 0.135 0.000 2.226 331 I HA -0.267 3.903 4.170 0.001 0.000 0.245 331 I C 2.281 178.465 176.117 0.112 0.000 1.100 331 I CA 1.386 62.817 61.300 0.219 0.000 1.374 331 I CB -0.241 37.962 38.000 0.338 0.000 1.057 331 I HN 0.060 nan 8.210 nan 0.000 0.413 332 D N 0.936 121.364 120.400 0.046 0.000 2.117 332 D HA -0.243 4.397 4.640 0.001 0.000 0.197 332 D C 2.218 178.464 176.300 -0.089 0.000 0.987 332 D CA 1.295 55.261 54.000 -0.057 0.000 0.829 332 D CB 0.031 40.798 40.800 -0.055 0.000 0.961 332 D HN 0.102 nan 8.370 nan 0.000 0.460 333 K N -0.647 119.720 120.400 -0.055 0.000 2.063 333 K HA -0.148 4.172 4.320 0.001 0.000 0.208 333 K C 1.846 178.391 176.600 -0.091 0.000 1.048 333 K CA 1.688 57.930 56.287 -0.075 0.000 0.928 333 K CB -0.154 32.315 32.500 -0.051 0.000 0.713 333 K HN 0.095 nan 8.250 nan 0.000 0.442 334 T N 0.670 115.187 114.554 -0.062 0.000 2.720 334 T HA -0.119 4.231 4.350 0.001 0.000 0.268 334 T C 1.837 176.436 174.700 -0.168 0.000 1.037 334 T CA 1.455 63.493 62.100 -0.104 0.000 1.144 334 T CB -0.159 68.692 68.868 -0.029 0.000 0.864 334 T HN 0.018 nan 8.240 nan 0.000 0.444 335 V N 1.392 121.180 119.914 -0.210 0.000 2.407 335 V HA -0.102 4.018 4.120 0.001 0.000 0.248 335 V C 2.853 178.747 176.094 -0.334 0.000 1.055 335 V CA 1.933 63.984 62.300 -0.416 0.000 1.049 335 V CB -1.310 30.158 31.823 -0.590 0.000 0.662 335 V HN 0.601 nan 8.190 nan 0.000 0.455 336 G N -1.330 107.337 108.800 -0.220 0.000 2.408 336 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 336 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 336 G C 1.496 176.319 174.900 -0.128 0.000 1.150 336 G CA 0.627 45.640 45.100 -0.145 0.000 0.776 336 G HN 0.524 nan 8.290 nan 0.000 0.542 337 Q N -0.735 118.982 119.800 -0.139 0.000 2.050 337 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 337 Q C 2.476 178.383 176.000 -0.156 0.000 0.980 337 Q CA 1.219 56.951 55.803 -0.118 0.000 0.840 337 Q CB -0.271 28.386 28.738 -0.136 0.000 0.898 337 Q HN 0.428 nan 8.270 nan 0.000 0.424 338 L N 0.068 121.159 121.223 -0.220 0.000 2.017 338 L HA -0.192 4.149 4.340 0.001 0.000 0.208 338 L C 2.025 178.731 176.870 -0.274 0.000 1.073 338 L CA 1.763 56.461 54.840 -0.237 0.000 0.745 338 L CB -0.322 41.593 42.059 -0.239 0.000 0.894 338 L HN 0.230 nan 8.230 nan 0.000 0.432 339 M N -0.893 118.474 119.600 -0.388 0.000 2.156 339 M HA -0.120 4.361 4.480 0.001 0.000 0.264 339 M C 1.987 178.105 176.300 -0.303 0.000 1.067 339 M CA 1.243 56.190 55.300 -0.587 0.000 1.131 339 M CB -1.470 30.422 32.600 -1.181 0.000 1.368 339 M HN 0.225 nan 8.290 nan 0.000 0.416 340 D N 0.467 120.797 120.400 -0.116 0.000 2.092 340 D HA -0.108 4.533 4.640 0.001 0.000 0.193 340 D C 2.086 178.365 176.300 -0.036 0.000 0.994 340 D CA 1.806 55.806 54.000 0.001 0.000 0.828 340 D CB -0.683 40.166 40.800 0.081 0.000 0.963 340 D HN 0.434 nan 8.370 nan 0.000 0.450 341 G N 0.792 109.557 108.800 -0.057 0.000 2.476 341 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 341 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 341 G C 1.807 176.680 174.900 -0.046 0.000 1.164 341 G CA 0.556 45.630 45.100 -0.044 0.000 0.768 341 G HN 0.267 nan 8.290 nan 0.000 0.560 342 L N 0.063 121.233 121.223 -0.088 0.000 2.046 342 L HA -0.065 4.276 4.340 0.001 0.000 0.208 342 L C 2.838 179.720 176.870 0.020 0.000 1.077 342 L CA 1.596 56.404 54.840 -0.053 0.000 0.747 342 L CB -0.325 41.674 42.059 -0.100 0.000 0.896 342 L HN 0.241 nan 8.230 nan 0.000 0.432 343 K N 0.016 120.396 120.400 -0.034 0.000 2.026 343 K HA -0.218 4.103 4.320 0.001 0.000 0.208 343 K C 2.128 178.718 176.600 -0.017 0.000 1.048 343 K CA 1.396 57.614 56.287 -0.115 0.000 0.929 343 K CB -0.039 32.288 32.500 -0.288 0.000 0.713 343 K HN 0.325 nan 8.250 nan 0.000 0.439 344 Q N -0.078 119.719 119.800 -0.005 0.000 2.197 344 Q HA -0.180 4.161 4.340 0.001 0.000 0.207 344 Q C 1.595 177.630 176.000 0.059 0.000 0.984 344 Q CA 1.096 56.921 55.803 0.037 0.000 0.869 344 Q CB 0.026 28.802 28.738 0.064 0.000 0.906 344 Q HN 0.215 nan 8.270 nan 0.000 0.426 345 L N 0.204 121.459 121.223 0.054 0.000 2.592 345 L HA 0.049 4.389 4.340 0.001 0.000 0.227 345 L C 0.243 177.144 176.870 0.053 0.000 1.127 345 L CA 0.914 55.789 54.840 0.058 0.000 0.884 345 L CB 0.016 42.103 42.059 0.045 0.000 1.065 345 L HN 0.101 nan 8.230 nan 0.000 0.457 346 K N -0.996 119.462 120.400 0.096 0.000 3.129 346 K HA -0.216 4.105 4.320 0.001 0.000 0.273 346 K C 0.628 177.244 176.600 0.027 0.000 1.123 346 K CA 0.410 56.769 56.287 0.121 0.000 0.800 346 K CB -1.954 30.579 32.500 0.055 0.000 1.238 346 K HN 0.270 nan 8.250 nan 0.000 0.492 347 L N -0.604 120.647 121.223 0.047 0.000 2.766 347 L HA 0.102 4.442 4.340 0.001 0.000 0.242 347 L C 1.832 178.689 176.870 -0.023 0.000 1.136 347 L CA -0.009 54.780 54.840 -0.086 0.000 0.933 347 L CB -0.094 41.897 42.059 -0.112 0.000 1.241 347 L HN 0.382 nan 8.230 nan 0.000 0.522 348 H N -1.128 117.929 119.070 -0.022 0.000 2.546 348 H HA 0.037 4.592 4.556 -0.001 0.000 0.277 348 H C 1.580 176.992 175.328 0.140 0.000 1.004 348 H CA 0.556 56.622 56.048 0.030 0.000 1.231 348 H CB -0.031 29.780 29.762 0.082 0.000 1.382 348 H HN 0.132 nan 8.280 nan 0.000 0.580 349 R N -0.385 119.898 120.500 -0.362 0.000 2.629 349 R HA 0.241 4.581 4.340 0.001 0.000 0.386 349 R C 0.251 176.466 176.300 -0.140 0.000 1.071 349 R CA 0.264 56.233 56.100 -0.218 0.000 1.104 349 R CB 0.496 30.607 30.300 -0.315 0.000 1.370 349 R HN 0.455 nan 8.270 nan 0.000 0.574 350 c N -0.888 117.643 118.600 -0.115 0.000 2.553 350 c HA 0.334 4.904 4.570 0.001 0.000 0.447 350 c C 0.693 174.770 174.090 -0.023 0.000 1.351 350 c CA -0.003 56.263 56.329 -0.105 0.000 2.354 350 c CB 0.320 42.695 42.510 -0.225 0.000 2.905 350 c HN 0.059 nan 8.230 nan 0.000 0.554 351 V N 4.074 123.995 119.914 0.011 0.000 2.649 351 V HA 0.287 4.408 4.120 0.001 0.000 0.292 351 V C -0.383 175.795 176.094 0.139 0.000 1.055 351 V CA 0.005 62.355 62.300 0.083 0.000 1.023 351 V CB 1.030 32.894 31.823 0.069 0.000 0.992 351 V HN 0.471 nan 8.190 nan 0.000 0.480 352 N N 2.897 121.704 118.700 0.179 0.000 2.472 352 N HA 0.405 5.146 4.740 0.001 0.000 0.277 352 N C -0.780 174.910 175.510 0.299 0.000 1.081 352 N CA -0.178 53.035 53.050 0.271 0.000 0.973 352 N CB 1.965 40.603 38.487 0.252 0.000 1.105 352 N HN 0.376 nan 8.380 nan 0.000 0.470 353 V N 3.591 123.696 119.914 0.319 0.000 2.495 353 V HA 0.490 4.610 4.120 0.001 0.000 0.298 353 V C 0.292 176.488 176.094 0.170 0.000 1.031 353 V CA -0.711 61.719 62.300 0.217 0.000 0.871 353 V CB 1.744 33.626 31.823 0.098 0.000 0.988 353 V HN 0.478 nan 8.190 nan 0.000 0.432 354 I N 4.752 125.431 120.570 0.182 0.000 2.362 354 I HA 0.406 4.576 4.170 0.001 0.000 0.289 354 I C -1.070 175.111 176.117 0.106 0.000 0.994 354 I CA -0.363 60.988 61.300 0.084 0.000 1.158 354 I CB 1.586 39.745 38.000 0.265 0.000 1.315 354 I HN 0.566 nan 8.210 nan 0.000 0.451 355 F N 8.522 128.340 119.950 -0.219 0.000 2.361 355 F HA 0.678 5.207 4.527 0.003 0.000 0.364 355 F C -0.914 174.790 175.800 -0.160 0.000 1.117 355 F CA -0.493 57.401 58.000 -0.177 0.000 1.071 355 F CB 1.077 39.868 39.000 -0.348 0.000 1.188 355 F HN 0.157 nan 8.300 nan 0.000 0.464 356 V N 5.820 125.496 119.914 -0.398 0.000 2.932 356 V HA 0.840 4.960 4.120 0.001 0.000 0.307 356 V C -0.497 175.465 176.094 -0.219 0.000 1.147 356 V CA -0.196 62.011 62.300 -0.154 0.000 0.951 356 V CB 1.784 33.691 31.823 0.142 0.000 1.031 356 V HN 0.918 nan 8.190 nan 0.000 0.426 357 G N 2.751 111.477 108.800 -0.123 0.000 2.491 357 G HA2 0.549 4.510 3.960 0.001 0.000 0.327 357 G HA3 0.549 4.510 3.960 0.001 0.000 0.327 357 G C 0.001 174.905 174.900 0.007 0.000 1.189 357 G CA 0.227 45.284 45.100 -0.073 0.000 0.956 357 G HN 0.870 nan 8.290 nan 0.000 0.491 358 D N -2.369 118.013 120.400 -0.029 0.000 2.423 358 D HA 0.138 4.778 4.640 0.001 0.000 0.208 358 D C 0.606 176.968 176.300 0.104 0.000 1.068 358 D CA 0.645 54.679 54.000 0.057 0.000 0.860 358 D CB 0.059 40.934 40.800 0.125 0.000 0.992 358 D HN 0.673 nan 8.370 nan 0.000 0.504 359 H N -3.757 115.337 119.070 0.040 0.000 2.894 359 H HA 0.573 5.129 4.556 0.001 0.000 0.282 359 H C -0.098 175.197 175.328 -0.054 0.000 1.448 359 H CA -0.926 55.122 56.048 -0.000 0.000 1.158 359 H CB 0.719 30.461 29.762 -0.034 0.000 1.818 359 H HN 0.005 nan 8.280 nan 0.000 0.493 360 G N -0.469 108.448 108.800 0.194 0.000 2.695 360 G HA2 0.560 4.521 3.960 0.001 0.000 0.213 360 G HA3 0.560 4.521 3.960 0.001 0.000 0.213 360 G C -0.881 174.088 174.900 0.116 0.000 1.406 360 G CA -0.467 44.659 45.100 0.043 0.000 1.049 360 G HN 0.796 nan 8.290 nan 0.000 0.573 361 M N -0.874 118.727 119.600 0.002 0.000 2.325 361 M HA 0.531 5.011 4.480 0.001 0.000 0.285 361 M C -1.586 174.714 176.300 0.000 0.000 1.119 361 M CA -0.554 54.767 55.300 0.035 0.000 0.959 361 M CB 2.339 34.923 32.600 -0.025 0.000 1.737 361 M HN 0.584 nan 8.290 nan 0.000 0.486 362 E N 1.602 121.865 120.200 0.105 0.000 2.299 362 E HA 0.474 4.824 4.350 0.001 0.000 0.265 362 E C -1.426 175.224 176.600 0.082 0.000 0.911 362 E CA -0.400 56.060 56.400 0.101 0.000 0.789 362 E CB 1.406 31.259 29.700 0.254 0.000 1.246 362 E HN 0.640 nan 8.360 nan 0.000 0.427 363 D N 1.827 122.260 120.400 0.055 0.000 2.346 363 D HA 0.207 4.847 4.640 0.001 0.000 0.260 363 D C -0.788 175.536 176.300 0.040 0.000 1.252 363 D CA 0.335 54.369 54.000 0.056 0.000 0.895 363 D CB 0.596 41.445 40.800 0.082 0.000 1.097 363 D HN 0.099 nan 8.370 nan 0.000 0.489 364 V N 2.464 122.408 119.914 0.049 0.000 2.623 364 V HA 0.448 4.568 4.120 0.001 0.000 0.304 364 V C 0.311 176.407 176.094 0.002 0.000 1.054 364 V CA -0.771 61.523 62.300 -0.011 0.000 0.882 364 V CB 2.151 33.970 31.823 -0.007 0.000 1.002 364 V HN 0.619 nan 8.190 nan 0.000 0.424 365 T N -0.514 113.932 114.554 -0.181 0.000 2.901 365 T HA 0.312 4.662 4.350 0.001 0.000 0.293 365 T C 0.931 175.416 174.700 -0.359 0.000 1.084 365 T CA -0.390 61.483 62.100 -0.378 0.000 1.008 365 T CB 1.495 70.169 68.868 -0.323 0.000 1.170 365 T HN 0.449 nan 8.240 nan 0.000 0.509 366 c N 0.786 119.089 118.600 -0.494 0.000 2.403 366 c HA -0.099 4.472 4.570 0.001 0.000 0.277 366 c C 2.287 176.304 174.090 -0.121 0.000 1.248 366 c CA 1.307 57.532 56.329 -0.175 0.000 1.762 366 c CB -1.314 41.087 42.510 -0.181 0.000 2.014 366 c HN 0.908 nan 8.230 nan 0.000 0.486 367 D N -0.051 120.229 120.400 -0.199 0.000 2.309 367 D HA -0.063 4.577 4.640 0.001 0.000 0.212 367 D C 1.346 177.442 176.300 -0.339 0.000 0.968 367 D CA 0.972 54.861 54.000 -0.184 0.000 0.882 367 D CB -0.277 40.412 40.800 -0.185 0.000 0.918 367 D HN 0.565 nan 8.370 nan 0.000 0.503 368 R N 0.318 120.475 120.500 -0.572 0.000 3.463 368 R HA 0.255 4.596 4.340 0.001 0.000 0.303 368 R C -0.538 175.403 176.300 -0.598 0.000 1.370 368 R CA -0.085 55.226 56.100 -1.315 0.000 1.524 368 R CB 0.613 29.747 30.300 -1.943 0.000 1.389 368 R HN -0.137 nan 8.270 nan 0.000 0.640 369 T N 0.725 115.191 114.554 -0.145 0.000 2.786 369 T HA 0.223 4.573 4.350 0.001 0.000 0.283 369 T C -0.130 174.502 174.700 -0.114 0.000 0.992 369 T CA -0.743 61.325 62.100 -0.054 0.000 0.954 369 T CB 2.169 70.865 68.868 -0.288 0.000 0.934 369 T HN 0.129 nan 8.240 nan 0.000 0.440 370 E N 2.090 122.347 120.200 0.096 0.000 2.343 370 E HA 0.350 4.700 4.350 0.001 0.000 0.269 370 E C -0.943 175.494 176.600 -0.272 0.000 1.047 370 E CA -0.184 56.274 56.400 0.096 0.000 0.874 370 E CB 0.993 30.926 29.700 0.389 0.000 1.033 370 E HN 0.447 nan 8.360 nan 0.000 0.409 371 F N 1.726 121.855 119.950 0.298 0.000 2.467 371 F HA 0.213 4.741 4.527 0.001 0.000 0.336 371 F C 1.405 177.357 175.800 0.253 0.000 1.123 371 F CA -0.595 57.520 58.000 0.190 0.000 0.964 371 F CB 0.903 39.987 39.000 0.139 0.000 1.136 371 F HN 0.319 nan 8.300 nan 0.000 0.447 372 L N 1.298 122.686 121.223 0.275 0.000 2.187 372 L HA -0.200 4.141 4.340 0.001 0.000 0.213 372 L C 2.288 179.347 176.870 0.315 0.000 1.100 372 L CA 1.470 56.446 54.840 0.226 0.000 0.765 372 L CB -0.562 41.524 42.059 0.045 0.000 0.904 372 L HN 0.764 nan 8.230 nan 0.000 0.437 373 S N -0.944 114.909 115.700 0.255 0.000 2.469 373 S HA -0.181 4.289 4.470 0.001 0.000 0.238 373 S C 1.368 176.059 174.600 0.153 0.000 0.998 373 S CA 1.320 59.618 58.200 0.164 0.000 0.957 373 S CB -0.767 62.483 63.200 0.084 0.000 0.764 373 S HN 0.559 nan 8.310 nan 0.000 0.514 374 N N -0.398 118.431 118.700 0.215 0.000 2.515 374 N HA 0.093 4.834 4.740 0.001 0.000 0.185 374 N C 0.494 175.926 175.510 -0.130 0.000 1.109 374 N CA 0.791 53.853 53.050 0.020 0.000 0.903 374 N CB -0.019 38.438 38.487 -0.049 0.000 0.969 374 N HN 0.520 nan 8.380 nan 0.000 0.450 375 Y N -0.287 120.075 120.300 0.104 0.000 2.585 375 Y HA 0.354 4.905 4.550 0.001 0.000 0.272 375 Y C 0.275 176.211 175.900 0.061 0.000 1.119 375 Y CA -0.217 57.937 58.100 0.089 0.000 1.255 375 Y CB 0.759 39.301 38.460 0.138 0.000 1.284 375 Y HN -0.153 nan 8.280 nan 0.000 0.499 376 L N -0.386 120.970 121.223 0.222 0.000 2.342 376 L HA 0.380 4.720 4.340 0.001 0.000 0.271 376 L C 0.847 177.769 176.870 0.086 0.000 1.008 376 L CA -0.378 54.541 54.840 0.132 0.000 0.818 376 L CB 1.969 44.100 42.059 0.119 0.000 1.296 376 L HN -0.098 nan 8.230 nan 0.000 0.427 377 T N -0.503 114.087 114.554 0.059 0.000 2.942 377 T HA 0.034 4.384 4.350 0.001 0.000 0.265 377 T C 0.562 175.284 174.700 0.035 0.000 1.062 377 T CA 1.021 63.145 62.100 0.039 0.000 1.139 377 T CB -0.074 68.810 68.868 0.027 0.000 0.883 377 T HN 0.438 nan 8.240 nan 0.000 0.468 378 N N 1.905 120.630 118.700 0.041 0.000 2.762 378 N HA 0.221 4.962 4.740 0.001 0.000 0.252 378 N C 0.738 176.273 175.510 0.043 0.000 1.269 378 N CA 0.016 53.088 53.050 0.036 0.000 0.799 378 N CB 1.863 40.369 38.487 0.032 0.000 1.173 378 N HN 0.154 nan 8.380 nan 0.000 0.516 379 V N -2.384 117.555 119.914 0.042 0.000 3.217 379 V HA 0.016 4.136 4.120 0.001 0.000 0.264 379 V C 1.017 177.126 176.094 0.025 0.000 1.135 379 V CA 1.098 63.423 62.300 0.042 0.000 1.142 379 V CB -0.066 31.787 31.823 0.049 0.000 0.754 379 V HN 0.120 nan 8.190 nan 0.000 0.484 380 D N 1.045 121.456 120.400 0.018 0.000 2.348 380 D HA -0.054 4.586 4.640 0.001 0.000 0.216 380 D C 1.303 177.606 176.300 0.005 0.000 0.970 380 D CA 1.043 55.047 54.000 0.007 0.000 0.889 380 D CB -0.054 40.748 40.800 0.004 0.000 0.912 380 D HN 0.515 nan 8.370 nan 0.000 0.524 381 D N 0.023 120.433 120.400 0.017 0.000 2.339 381 D HA 0.106 4.747 4.640 0.001 0.000 0.217 381 D C 0.955 177.260 176.300 0.007 0.000 1.050 381 D CA 0.003 54.013 54.000 0.017 0.000 0.856 381 D CB 0.732 41.556 40.800 0.040 0.000 0.922 381 D HN 0.390 nan 8.370 nan 0.000 0.518 382 I N -2.630 117.944 120.570 0.005 0.000 2.740 382 I HA 0.494 4.664 4.170 0.001 0.000 0.303 382 I C -0.421 175.666 176.117 -0.048 0.000 1.044 382 I CA -0.721 60.566 61.300 -0.022 0.000 1.064 382 I CB 2.345 40.364 38.000 0.032 0.000 1.249 382 I HN -0.431 nan 8.210 nan 0.000 0.433 383 T N 5.364 119.865 114.554 -0.088 0.000 2.794 383 T HA 0.595 4.946 4.350 0.001 0.000 0.280 383 T C -0.759 173.896 174.700 -0.074 0.000 0.987 383 T CA -0.305 61.744 62.100 -0.085 0.000 0.993 383 T CB 1.382 70.175 68.868 -0.124 0.000 0.939 383 T HN 0.519 nan 8.240 nan 0.000 0.449 384 L N 4.967 126.154 121.223 -0.060 0.000 2.343 384 L HA 0.590 4.930 4.340 0.001 0.000 0.278 384 L C -0.749 176.077 176.870 -0.074 0.000 0.996 384 L CA -0.645 54.154 54.840 -0.069 0.000 0.831 384 L CB 1.345 43.361 42.059 -0.073 0.000 1.232 384 L HN 0.411 nan 8.230 nan 0.000 0.413 385 V N 8.054 127.922 119.914 -0.076 0.000 2.421 385 V HA 0.337 4.457 4.120 0.001 0.000 0.271 385 V C -1.814 174.200 176.094 -0.132 0.000 1.031 385 V CA -0.647 61.602 62.300 -0.085 0.000 1.032 385 V CB -0.138 31.648 31.823 -0.062 0.000 1.009 385 V HN 0.734 nan 8.190 nan 0.000 0.477 386 P HA 0.800 nan 4.420 nan 0.000 0.319 386 P C 0.314 177.439 177.300 -0.291 0.000 1.291 386 P CA 0.316 63.294 63.100 -0.203 0.000 0.817 386 P CB 2.635 34.227 31.700 -0.180 0.000 1.349 387 G N -0.324 108.251 108.800 -0.374 0.000 2.826 387 G HA2 -0.215 3.746 3.960 0.001 0.000 0.233 387 G HA3 -0.215 3.746 3.960 0.001 0.000 0.233 387 G C 0.747 175.482 174.900 -0.276 0.000 1.296 387 G CA 0.505 45.220 45.100 -0.642 0.000 1.001 387 G HN 0.715 nan 8.290 nan 0.000 0.576 388 T N 0.521 114.899 114.554 -0.294 0.000 3.129 388 T HA 0.542 4.892 4.350 0.001 0.000 0.251 388 T C 0.964 175.532 174.700 -0.220 0.000 1.117 388 T CA 1.375 63.239 62.100 -0.393 0.000 1.034 388 T CB -0.575 67.643 68.868 -1.082 0.000 0.968 388 T HN 1.686 nan 8.240 nan 0.000 0.526 389 L N -3.633 117.490 121.223 -0.167 0.000 2.491 389 L HA 0.974 5.315 4.340 0.001 0.000 0.254 389 L C -0.724 176.032 176.870 -0.191 0.000 1.048 389 L CA -1.565 53.221 54.840 -0.089 0.000 0.855 389 L CB 1.614 43.627 42.059 -0.077 0.000 1.466 389 L HN -0.042 nan 8.230 nan 0.000 0.409 390 G N 0.600 109.215 108.800 -0.308 0.000 2.566 390 G HA2 0.751 4.712 3.960 0.001 0.000 0.311 390 G HA3 0.751 4.712 3.960 0.001 0.000 0.311 390 G C -1.378 173.294 174.900 -0.380 0.000 1.322 390 G CA -0.782 44.134 45.100 -0.306 0.000 0.969 390 G HN 0.592 nan 8.290 nan 0.000 0.490 391 R N 1.797 122.186 120.500 -0.185 0.000 2.575 391 R HA 0.516 4.857 4.340 0.001 0.000 0.293 391 R C -1.189 175.087 176.300 -0.041 0.000 0.983 391 R CA -0.751 55.311 56.100 -0.064 0.000 0.887 391 R CB 2.633 32.959 30.300 0.044 0.000 1.184 391 R HN 0.418 nan 8.270 nan 0.000 0.445 392 I N 3.383 123.952 120.570 -0.001 0.000 2.509 392 I HA 0.522 4.693 4.170 0.001 0.000 0.293 392 I C -0.131 175.975 176.117 -0.018 0.000 1.020 392 I CA -0.829 60.470 61.300 -0.003 0.000 1.088 392 I CB 1.891 39.920 38.000 0.047 0.000 1.267 392 I HN 0.578 nan 8.210 nan 0.000 0.430 393 R N 5.392 125.814 120.500 -0.130 0.000 2.734 393 R HA 0.604 4.945 4.340 0.001 0.000 0.271 393 R C -3.184 172.831 176.300 -0.475 0.000 1.021 393 R CA -1.904 53.992 56.100 -0.341 0.000 0.893 393 R CB 1.404 31.567 30.300 -0.228 0.000 1.244 393 R HN 0.114 nan 8.270 nan 0.000 0.464 394 P HA -0.070 nan 4.420 nan 0.000 0.266 394 P C -0.316 176.822 177.300 -0.270 0.000 1.195 394 P CA -0.011 62.803 63.100 -0.477 0.000 0.768 394 P CB 1.064 32.488 31.700 -0.460 0.000 0.838 395 K N 2.996 123.298 120.400 -0.163 0.000 2.057 395 K HA -0.045 4.276 4.320 0.001 0.000 0.207 395 K C 0.644 177.160 176.600 -0.140 0.000 1.049 395 K CA 0.947 57.153 56.287 -0.136 0.000 0.931 395 K CB -0.090 32.364 32.500 -0.077 0.000 0.714 395 K HN 0.452 nan 8.250 nan 0.000 0.440 396 I N 3.355 123.861 120.570 -0.108 0.000 2.312 396 I HA 0.150 4.321 4.170 0.001 0.000 0.291 396 I C -2.247 173.808 176.117 -0.104 0.000 1.031 396 I CA -2.557 58.692 61.300 -0.084 0.000 1.293 396 I CB 1.226 39.202 38.000 -0.039 0.000 1.403 396 I HN -0.009 nan 8.210 nan 0.000 0.484 397 P HA 0.006 nan 4.420 nan 0.000 0.264 397 P C 0.598 177.884 177.300 -0.022 0.000 1.183 397 P CA 0.911 63.966 63.100 -0.074 0.000 0.763 397 P CB 0.267 31.976 31.700 0.014 0.000 0.807 398 N N 0.731 119.420 118.700 -0.018 0.000 2.753 398 N HA -0.264 4.477 4.740 0.001 0.000 0.251 398 N C 0.496 176.019 175.510 0.021 0.000 1.097 398 N CA 0.843 53.902 53.050 0.015 0.000 0.786 398 N CB -2.555 35.952 38.487 0.034 0.000 1.137 398 N HN 0.643 nan 8.380 nan 0.000 0.566 399 N N 0.952 119.652 118.700 -0.001 0.000 2.365 399 N HA 0.088 4.828 4.740 0.001 0.000 0.265 399 N C 1.260 176.818 175.510 0.080 0.000 1.288 399 N CA -0.245 52.823 53.050 0.030 0.000 0.869 399 N CB 0.436 38.934 38.487 0.018 0.000 1.071 399 N HN 0.395 nan 8.380 nan 0.000 0.480 400 L N 4.046 125.308 121.223 0.065 0.000 2.201 400 L HA -0.065 4.276 4.340 0.001 0.000 0.212 400 L C 1.842 178.759 176.870 0.079 0.000 1.105 400 L CA 1.409 56.290 54.840 0.069 0.000 0.775 400 L CB -0.701 41.385 42.059 0.045 0.000 0.913 400 L HN 0.625 nan 8.230 nan 0.000 0.440 401 K N -1.294 119.154 120.400 0.080 0.000 2.486 401 K HA -0.098 4.222 4.320 0.001 0.000 0.194 401 K C 0.181 176.844 176.600 0.106 0.000 1.033 401 K CA -0.221 56.108 56.287 0.071 0.000 1.004 401 K CB -0.058 32.475 32.500 0.055 0.000 0.798 401 K HN 0.049 nan 8.250 nan 0.000 0.495 402 Y N 2.469 122.771 120.300 0.003 0.000 2.721 402 Y HA -0.123 4.428 4.550 0.001 0.000 0.329 402 Y C -0.062 175.841 175.900 0.004 0.000 1.211 402 Y CA -0.135 57.967 58.100 0.002 0.000 1.512 402 Y CB 0.264 38.725 38.460 0.001 0.000 1.249 402 Y HN -0.068 nan 8.280 nan 0.000 0.549 403 D N 9.029 129.157 120.400 -0.453 0.000 2.441 403 D HA 0.255 4.896 4.640 0.001 0.000 0.287 403 D C -2.029 173.981 176.300 -0.484 0.000 1.198 403 D CA -2.074 51.712 54.000 -0.357 0.000 0.894 403 D CB 0.961 41.666 40.800 -0.158 0.000 1.070 403 D HN 0.342 nan 8.370 nan 0.000 0.499 404 P HA -0.148 nan 4.420 nan 0.000 0.217 404 P C 1.208 178.385 177.300 -0.206 0.000 1.150 404 P CA 0.817 63.635 63.100 -0.470 0.000 0.832 404 P CB 0.647 32.147 31.700 -0.334 0.000 0.787 405 K N -0.037 120.268 120.400 -0.159 0.000 2.057 405 K HA -0.064 4.256 4.320 0.001 0.000 0.207 405 K C 2.307 178.859 176.600 -0.080 0.000 1.049 405 K CA 1.564 57.795 56.287 -0.093 0.000 0.931 405 K CB -0.562 31.895 32.500 -0.072 0.000 0.714 405 K HN 0.054 nan 8.250 nan 0.000 0.440 406 A N 1.455 124.219 122.820 -0.092 0.000 1.929 406 A HA -0.094 4.226 4.320 0.001 0.000 0.216 406 A C 2.118 179.674 177.584 -0.047 0.000 1.176 406 A CA 1.020 53.020 52.037 -0.062 0.000 0.628 406 A CB -0.483 18.482 19.000 -0.059 0.000 0.816 406 A HN 0.141 nan 8.150 nan 0.000 0.444 407 I N -0.481 120.046 120.570 -0.071 0.000 2.127 407 I HA -0.258 3.913 4.170 0.001 0.000 0.241 407 I C 2.426 178.539 176.117 -0.008 0.000 1.075 407 I CA 1.670 62.952 61.300 -0.029 0.000 1.334 407 I CB -0.258 37.718 38.000 -0.041 0.000 1.040 407 I HN 0.407 nan 8.210 nan 0.000 0.405 408 I N 0.668 121.223 120.570 -0.025 0.000 2.286 408 I HA -0.304 3.866 4.170 0.001 0.000 0.248 408 I C 2.667 178.775 176.117 -0.015 0.000 1.115 408 I CA 1.462 62.756 61.300 -0.010 0.000 1.392 408 I CB -0.078 37.914 38.000 -0.012 0.000 1.065 408 I HN 0.207 nan 8.210 nan 0.000 0.418 409 A N 0.715 123.521 122.820 -0.024 0.000 1.908 409 A HA -0.267 4.053 4.320 0.001 0.000 0.218 409 A C 1.887 179.472 177.584 0.002 0.000 1.181 409 A CA 2.252 54.275 52.037 -0.024 0.000 0.627 409 A CB -0.875 18.107 19.000 -0.029 0.000 0.818 409 A HN 0.517 nan 8.150 nan 0.000 0.445 410 N N -0.418 118.300 118.700 0.029 0.000 2.520 410 N HA 0.023 4.763 4.740 0.001 0.000 0.185 410 N C 1.075 176.674 175.510 0.148 0.000 1.068 410 N CA 0.706 53.808 53.050 0.086 0.000 0.911 410 N CB -0.199 38.349 38.487 0.101 0.000 0.961 410 N HN 0.513 nan 8.380 nan 0.000 0.446 411 L N -0.792 120.473 121.223 0.070 0.000 2.640 411 L HA 0.184 4.524 4.340 0.001 0.000 0.230 411 L C -0.105 176.732 176.870 -0.055 0.000 1.123 411 L CA 0.203 55.057 54.840 0.025 0.000 0.900 411 L CB 0.210 42.308 42.059 0.064 0.000 1.146 411 L HN -0.098 nan 8.230 nan 0.000 0.484 412 T N -0.222 114.306 114.554 -0.044 0.000 2.753 412 T HA 0.151 4.502 4.350 0.001 0.000 0.297 412 T C 0.539 175.173 174.700 -0.110 0.000 0.981 412 T CA -0.307 61.729 62.100 -0.107 0.000 0.956 412 T CB 0.581 69.388 68.868 -0.101 0.000 0.936 412 T HN 0.228 nan 8.240 nan 0.000 0.463 413 c N 4.281 122.780 118.600 -0.168 0.000 3.899 413 c HA -0.107 4.464 4.570 0.001 0.000 0.297 413 c C 1.573 175.605 174.090 -0.097 0.000 1.371 413 c CA 0.139 56.372 56.329 -0.159 0.000 2.088 413 c CB -1.799 40.613 42.510 -0.163 0.000 1.346 413 c HN 0.816 nan 8.230 nan 0.000 0.658 414 K N -0.013 120.370 120.400 -0.029 0.000 2.354 414 K HA 0.149 4.470 4.320 0.001 0.000 0.194 414 K C 0.694 177.277 176.600 -0.028 0.000 1.045 414 K CA 0.655 56.954 56.287 0.019 0.000 1.026 414 K CB 0.367 32.956 32.500 0.148 0.000 0.866 414 K HN 0.658 nan 8.250 nan 0.000 0.530 415 K N 1.115 121.490 120.400 -0.041 0.000 2.324 415 K HA 0.221 4.541 4.320 0.001 0.000 0.253 415 K C -1.987 174.524 176.600 -0.149 0.000 0.932 415 K CA -1.813 54.415 56.287 -0.098 0.000 0.799 415 K CB 2.189 34.634 32.500 -0.091 0.000 1.154 415 K HN -0.272 nan 8.250 nan 0.000 0.425 416 P HA -0.153 nan 4.420 nan 0.000 0.220 416 P C -0.043 177.139 177.300 -0.197 0.000 1.148 416 P CA 1.342 64.357 63.100 -0.142 0.000 0.803 416 P CB 0.178 31.818 31.700 -0.100 0.000 0.782 417 D N -1.460 118.787 120.400 -0.255 0.000 2.463 417 D HA 0.039 4.679 4.640 0.001 0.000 0.224 417 D C 0.559 176.349 176.300 -0.851 0.000 1.174 417 D CA -0.520 53.230 54.000 -0.416 0.000 0.829 417 D CB -0.974 39.666 40.800 -0.266 0.000 0.993 417 D HN 0.144 nan 8.370 nan 0.000 0.497 418 Q N 0.799 120.243 119.800 -0.593 0.000 2.308 418 Q HA -0.108 4.232 4.340 0.001 0.000 0.313 418 Q C 0.043 175.570 176.000 -0.788 0.000 1.075 418 Q CA 0.486 55.905 55.803 -0.640 0.000 0.995 418 Q CB 0.365 28.796 28.738 -0.512 0.000 1.107 418 Q HN 0.365 nan 8.270 nan 0.000 0.380 419 H N 5.356 124.143 119.070 -0.472 0.000 2.524 419 H HA 0.170 4.726 4.556 0.001 0.000 0.299 419 H C -0.792 174.496 175.328 -0.067 0.000 1.074 419 H CA 0.143 55.911 56.048 -0.466 0.000 1.115 419 H CB -0.479 28.601 29.762 -1.137 0.000 1.522 419 H HN 0.470 nan 8.280 nan 0.000 0.543 420 F N -1.210 118.696 119.950 -0.073 0.000 2.741 420 F HA 0.579 5.107 4.527 0.001 0.000 0.313 420 F C -1.537 174.242 175.800 -0.035 0.000 1.153 420 F CA -1.450 56.548 58.000 -0.003 0.000 0.931 420 F CB 1.902 40.903 39.000 0.003 0.000 1.335 420 F HN -0.303 nan 8.300 nan 0.000 0.460 421 K N 2.562 123.088 120.400 0.211 0.000 2.507 421 K HA 0.529 4.849 4.320 0.001 0.000 0.251 421 K C -3.213 173.546 176.600 0.264 0.000 0.943 421 K CA -2.113 54.214 56.287 0.068 0.000 0.794 421 K CB 2.675 35.193 32.500 0.030 0.000 1.188 421 K HN 0.471 nan 8.250 nan 0.000 0.428 422 P HA 0.164 nan 4.420 nan 0.000 0.279 422 P C -1.451 175.860 177.300 0.019 0.000 1.239 422 P CA -0.095 63.099 63.100 0.157 0.000 0.789 422 P CB 0.462 32.218 31.700 0.093 0.000 0.933 423 Y N 0.960 121.354 120.300 0.158 0.000 2.421 423 Y HA 0.297 4.848 4.550 0.001 0.000 0.339 423 Y C 0.731 176.707 175.900 0.126 0.000 0.996 423 Y CA -1.238 56.958 58.100 0.159 0.000 1.046 423 Y CB 1.901 40.463 38.460 0.170 0.000 1.226 423 Y HN 0.173 nan 8.280 nan 0.000 0.445 424 M N 3.644 123.368 119.600 0.208 0.000 2.249 424 M HA 0.039 4.519 4.480 0.001 0.000 0.340 424 M C 1.380 177.692 176.300 0.021 0.000 1.166 424 M CA 0.095 55.417 55.300 0.038 0.000 1.115 424 M CB 0.773 33.286 32.600 -0.145 0.000 1.606 424 M HN 0.829 nan 8.290 nan 0.000 0.448 425 K N 2.565 122.926 120.400 -0.064 0.000 2.152 425 K HA -0.200 4.121 4.320 0.001 0.000 0.206 425 K C 1.311 177.803 176.600 -0.181 0.000 1.048 425 K CA 1.322 57.546 56.287 -0.104 0.000 0.933 425 K CB -0.255 32.143 32.500 -0.170 0.000 0.721 425 K HN 0.685 nan 8.250 nan 0.000 0.447 426 Q N 1.119 120.716 119.800 -0.338 0.000 2.364 426 Q HA -0.165 4.175 4.340 0.001 0.000 0.207 426 Q C 0.755 176.747 176.000 -0.013 0.000 0.970 426 Q CA 1.548 57.184 55.803 -0.278 0.000 0.888 426 Q CB -0.498 28.010 28.738 -0.383 0.000 0.951 426 Q HN 0.724 nan 8.270 nan 0.000 0.469 427 H N -0.113 118.999 119.070 0.070 0.000 2.553 427 H HA 0.317 4.873 4.556 0.001 0.000 0.265 427 H C 0.291 175.788 175.328 0.282 0.000 0.964 427 H CA -0.722 55.446 56.048 0.199 0.000 1.156 427 H CB 0.535 30.439 29.762 0.236 0.000 1.411 427 H HN 0.062 nan 8.280 nan 0.000 0.558 428 L N 2.590 123.904 121.223 0.152 0.000 2.506 428 L HA 0.041 4.381 4.340 0.001 0.000 0.281 428 L C -1.942 174.888 176.870 -0.066 0.000 1.228 428 L CA -1.897 52.813 54.840 -0.218 0.000 0.850 428 L CB 0.127 42.019 42.059 -0.278 0.000 1.110 428 L HN -0.070 nan 8.230 nan 0.000 0.496 429 P HA -0.070 nan 4.420 nan 0.000 0.261 429 P C -0.035 177.188 177.300 -0.129 0.000 1.173 429 P CA 0.071 63.099 63.100 -0.120 0.000 0.760 429 P CB 0.373 31.840 31.700 -0.389 0.000 0.783 430 K N 4.153 124.507 120.400 -0.076 0.000 2.147 430 K HA -0.174 4.147 4.320 0.001 0.000 0.205 430 K C 1.821 178.107 176.600 -0.525 0.000 1.049 430 K CA 1.471 57.590 56.287 -0.279 0.000 0.936 430 K CB -0.347 31.986 32.500 -0.278 0.000 0.722 430 K HN 0.570 nan 8.250 nan 0.000 0.446 431 R N 0.926 121.235 120.500 -0.317 0.000 2.200 431 R HA -0.062 4.279 4.340 0.001 0.000 0.234 431 R C 2.062 178.210 176.300 -0.254 0.000 1.127 431 R CA 1.073 57.014 56.100 -0.264 0.000 0.989 431 R CB -0.741 29.504 30.300 -0.093 0.000 0.869 431 R HN 0.124 nan 8.270 nan 0.000 0.459 432 L N 0.137 121.193 121.223 -0.279 0.000 2.313 432 L HA 0.000 4.341 4.340 0.001 0.000 0.214 432 L C 0.262 177.079 176.870 -0.088 0.000 1.119 432 L CA 0.373 55.115 54.840 -0.164 0.000 0.809 432 L CB -0.730 41.172 42.059 -0.262 0.000 0.933 432 L HN 0.364 nan 8.230 nan 0.000 0.449 433 H N -1.538 117.405 119.070 -0.211 0.000 2.626 433 H HA -0.253 4.304 4.556 0.001 0.000 0.317 433 H C -0.592 174.680 175.328 -0.094 0.000 1.140 433 H CA 0.630 56.490 56.048 -0.314 0.000 1.134 433 H CB -1.930 27.258 29.762 -0.957 0.000 1.486 433 H HN 0.339 nan 8.280 nan 0.000 0.417 434 Y N -0.542 119.695 120.300 -0.105 0.000 2.747 434 Y HA 0.539 5.090 4.550 0.001 0.000 0.362 434 Y C 0.358 176.212 175.900 -0.076 0.000 1.026 434 Y CA 0.198 58.262 58.100 -0.059 0.000 1.135 434 Y CB 0.197 38.645 38.460 -0.020 0.000 1.175 434 Y HN 0.352 nan 8.280 nan 0.000 0.643 435 A N 2.070 124.790 122.820 -0.166 0.000 1.792 435 A HA 0.076 4.397 4.320 0.001 0.000 0.189 435 A C 0.396 178.009 177.584 0.049 0.000 1.926 435 A CA -0.067 51.896 52.037 -0.123 0.000 1.493 435 A CB -0.015 18.955 19.000 -0.049 0.000 1.554 435 A HN 0.350 nan 8.150 nan 0.000 0.340 436 N N 2.510 121.260 118.700 0.082 0.000 3.254 436 N HA 0.166 4.907 4.740 0.001 0.000 0.308 436 N C -0.800 174.697 175.510 -0.021 0.000 1.281 436 N CA 0.154 53.254 53.050 0.085 0.000 1.212 436 N CB -0.522 37.970 38.487 0.008 0.000 1.478 436 N HN 0.432 nan 8.380 nan 0.000 0.548 437 N N 0.206 118.881 118.700 -0.042 0.000 2.446 437 N HA 0.102 4.843 4.740 0.001 0.000 0.272 437 N C 0.544 175.997 175.510 -0.096 0.000 1.127 437 N CA -0.372 52.620 53.050 -0.098 0.000 0.896 437 N CB 1.192 39.588 38.487 -0.152 0.000 1.658 437 N HN 0.372 nan 8.380 nan 0.000 0.483 438 R N 1.900 122.331 120.500 -0.114 0.000 2.235 438 R HA 0.069 4.410 4.340 0.001 0.000 0.213 438 R C 0.674 176.898 176.300 -0.126 0.000 1.059 438 R CA 0.859 56.891 56.100 -0.113 0.000 0.997 438 R CB -0.015 30.191 30.300 -0.156 0.000 0.884 438 R HN 0.405 nan 8.270 nan 0.000 0.462 439 R N 0.774 121.186 120.500 -0.147 0.000 2.313 439 R HA 0.239 4.580 4.340 0.001 0.000 0.199 439 R C 0.192 176.445 176.300 -0.078 0.000 0.958 439 R CA 0.278 56.313 56.100 -0.107 0.000 1.047 439 R CB 0.124 30.367 30.300 -0.095 0.000 0.955 439 R HN 0.213 nan 8.270 nan 0.000 0.481 440 I N 2.213 122.706 120.570 -0.128 0.000 2.297 440 I HA 0.076 4.246 4.170 0.001 0.000 0.291 440 I C -0.152 175.932 176.117 -0.055 0.000 1.033 440 I CA -0.676 60.533 61.300 -0.153 0.000 1.253 440 I CB 1.152 38.914 38.000 -0.397 0.000 1.396 440 I HN -0.069 nan 8.210 nan 0.000 0.476 441 E N 4.276 124.493 120.200 0.027 0.000 2.467 441 E HA -0.078 4.273 4.350 0.001 0.000 0.264 441 E C 0.591 177.220 176.600 0.049 0.000 1.020 441 E CA 0.222 56.652 56.400 0.051 0.000 0.945 441 E CB 0.464 30.208 29.700 0.073 0.000 0.942 441 E HN 0.403 nan 8.360 nan 0.000 0.449 442 D N 0.573 120.998 120.400 0.042 0.000 2.149 442 D HA -0.109 4.531 4.640 0.001 0.000 0.198 442 D C 0.325 176.663 176.300 0.064 0.000 0.990 442 D CA 0.912 54.921 54.000 0.015 0.000 0.839 442 D CB 0.021 40.842 40.800 0.035 0.000 0.948 442 D HN 0.145 nan 8.370 nan 0.000 0.460 443 L N 0.462 121.758 121.223 0.122 0.000 2.264 443 L HA 0.355 4.696 4.340 0.001 0.000 0.289 443 L C -0.864 176.123 176.870 0.194 0.000 1.044 443 L CA -0.466 54.463 54.840 0.149 0.000 0.807 443 L CB 1.190 43.338 42.059 0.148 0.000 1.192 443 L HN -0.113 nan 8.230 nan 0.000 0.425 444 H N 3.862 123.014 119.070 0.137 0.000 2.747 444 H HA 0.717 5.274 4.556 0.001 0.000 0.371 444 H C -1.449 173.998 175.328 0.198 0.000 1.161 444 H CA -0.672 55.478 56.048 0.169 0.000 1.167 444 H CB 1.572 31.460 29.762 0.210 0.000 1.732 444 H HN 0.624 nan 8.280 nan 0.000 0.544 445 L N 5.096 126.226 121.223 -0.155 0.000 2.319 445 L HA 0.342 4.682 4.340 0.001 0.000 0.281 445 L C -0.718 176.246 176.870 0.156 0.000 1.005 445 L CA -0.651 54.233 54.840 0.072 0.000 0.828 445 L CB 1.594 43.590 42.059 -0.106 0.000 1.227 445 L HN 0.410 nan 8.230 nan 0.000 0.415 446 L N 4.197 125.656 121.223 0.395 0.000 2.281 446 L HA 0.382 4.722 4.340 0.001 0.000 0.285 446 L C -0.216 176.857 176.870 0.340 0.000 1.074 446 L CA -0.449 54.596 54.840 0.342 0.000 0.817 446 L CB 1.664 43.865 42.059 0.238 0.000 1.168 446 L HN 0.345 nan 8.230 nan 0.000 0.434 447 V N 3.747 123.879 119.914 0.364 0.000 2.539 447 V HA 0.167 4.288 4.120 0.001 0.000 0.292 447 V C 0.356 176.701 176.094 0.419 0.000 1.045 447 V CA -0.758 61.800 62.300 0.429 0.000 0.945 447 V CB 1.695 33.797 31.823 0.464 0.000 0.993 447 V HN 0.701 nan 8.190 nan 0.000 0.464 448 E N 4.525 124.908 120.200 0.305 0.000 2.384 448 E HA 0.123 4.474 4.350 0.001 0.000 0.266 448 E C 0.449 177.046 176.600 -0.006 0.000 1.012 448 E CA -0.651 55.834 56.400 0.141 0.000 0.901 448 E CB 0.558 30.313 29.700 0.092 0.000 0.967 448 E HN 0.680 nan 8.360 nan 0.000 0.435 449 R N 4.108 124.395 120.500 -0.356 0.000 2.566 449 R HA -0.069 4.272 4.340 0.001 0.000 0.273 449 R C 0.015 176.085 176.300 -0.383 0.000 0.981 449 R CA 0.575 56.108 56.100 -0.946 0.000 1.091 449 R CB 0.351 30.323 30.300 -0.546 0.000 0.924 449 R HN 0.871 nan 8.270 nan 0.000 0.411 450 R N -0.483 119.771 120.500 -0.410 0.000 3.584 450 R HA -0.155 4.186 4.340 0.001 0.000 0.488 450 R C -1.044 175.255 176.300 -0.002 0.000 0.869 450 R CA 1.637 57.719 56.100 -0.031 0.000 1.325 450 R CB -1.559 28.724 30.300 -0.028 0.000 2.015 450 R HN 0.709 nan 8.270 nan 0.000 0.489 451 W N -0.017 121.360 121.300 0.129 0.000 2.736 451 W HA 0.564 5.225 4.660 0.001 0.000 0.355 451 W C 0.702 177.417 176.519 0.326 0.000 1.102 451 W CA -0.372 57.063 57.345 0.151 0.000 1.164 451 W CB 0.832 30.359 29.460 0.111 0.000 1.422 451 W HN -0.008 nan 8.180 nan 0.000 0.572 452 H N -0.175 119.114 119.070 0.364 0.000 2.731 452 H HA 0.641 5.197 4.556 0.001 0.000 0.368 452 H C -1.185 174.229 175.328 0.144 0.000 1.168 452 H CA -1.202 54.957 56.048 0.185 0.000 1.181 452 H CB 2.595 32.401 29.762 0.072 0.000 1.743 452 H HN 0.168 nan 8.280 nan 0.000 0.547 453 V N 1.767 121.740 119.914 0.098 0.000 2.495 453 V HA 0.780 4.900 4.120 0.001 0.000 0.298 453 V C -1.045 174.962 176.094 -0.145 0.000 1.031 453 V CA -0.181 62.068 62.300 -0.085 0.000 0.871 453 V CB 1.012 32.683 31.823 -0.254 0.000 0.988 453 V HN 0.864 nan 8.190 nan 0.000 0.432 454 A N 5.444 128.180 122.820 -0.141 0.000 2.479 454 A HA 0.706 5.027 4.320 0.001 0.000 0.296 454 A C 0.599 178.230 177.584 0.078 0.000 1.121 454 A CA -0.581 51.439 52.037 -0.028 0.000 0.743 454 A CB 1.670 20.717 19.000 0.078 0.000 1.323 454 A HN 0.908 nan 8.150 nan 0.000 0.415 455 R N -0.066 120.487 120.500 0.089 0.000 2.066 455 R HA -0.037 4.304 4.340 0.001 0.000 0.232 455 R C 0.197 176.609 176.300 0.187 0.000 1.131 455 R CA 2.209 58.365 56.100 0.094 0.000 0.955 455 R CB -0.119 30.206 30.300 0.041 0.000 0.851 455 R HN 0.767 nan 8.270 nan 0.000 0.432 456 K N -3.191 117.344 120.400 0.226 0.000 2.607 456 K HA 0.272 4.593 4.320 0.001 0.000 0.287 456 K C -2.689 173.798 176.600 -0.189 0.000 0.996 456 K CA -1.564 54.764 56.287 0.067 0.000 0.876 456 K CB 1.794 34.274 32.500 -0.033 0.000 1.496 456 K HN -0.328 nan 8.250 nan 0.000 0.415 457 P HA -0.183 nan 4.420 nan 0.000 0.220 457 P C 1.833 178.897 177.300 -0.392 0.000 1.144 457 P CA 1.826 64.354 63.100 -0.953 0.000 0.800 457 P CB -0.191 31.003 31.700 -0.844 0.000 0.772 458 L N -0.446 120.606 121.223 -0.285 0.000 2.127 458 L HA -0.194 4.146 4.340 0.001 0.000 0.211 458 L C 1.960 178.617 176.870 -0.355 0.000 1.089 458 L CA 2.575 57.263 54.840 -0.253 0.000 0.757 458 L CB -2.118 39.853 42.059 -0.145 0.000 0.899 458 L HN -0.000 nan 8.230 nan 0.000 0.434 459 D N -0.835 119.444 120.400 -0.201 0.000 2.363 459 D HA 0.201 4.842 4.640 0.001 0.000 0.220 459 D C 0.614 176.779 176.300 -0.226 0.000 0.994 459 D CA 0.680 54.593 54.000 -0.145 0.000 0.890 459 D CB 0.175 40.995 40.800 0.033 0.000 0.906 459 D HN 0.449 nan 8.370 nan 0.000 0.530 460 V N 0.853 120.618 119.914 -0.248 0.000 2.472 460 V HA 0.185 4.305 4.120 0.001 0.000 0.290 460 V C -0.689 175.184 176.094 -0.368 0.000 1.037 460 V CA -0.652 61.591 62.300 -0.096 0.000 0.908 460 V CB 1.337 33.288 31.823 0.214 0.000 0.985 460 V HN -0.001 nan 8.190 nan 0.000 0.454 461 Y N 3.182 123.513 120.300 0.053 0.000 2.747 461 Y HA 0.489 5.040 4.550 0.001 0.000 0.362 461 Y C 0.815 176.656 175.900 -0.098 0.000 1.026 461 Y CA -0.593 57.488 58.100 -0.031 0.000 1.135 461 Y CB 0.488 38.915 38.460 -0.054 0.000 1.175 461 Y HN 0.667 nan 8.280 nan 0.000 0.643 462 K N 1.613 122.017 120.400 0.006 0.000 2.380 462 K HA 0.329 4.650 4.320 0.001 0.000 0.267 462 K C 0.254 176.807 176.600 -0.078 0.000 0.990 462 K CA -0.475 55.782 56.287 -0.050 0.000 0.946 462 K CB 0.322 32.801 32.500 -0.035 0.000 0.937 462 K HN 0.212 nan 8.250 nan 0.000 0.491 463 K N 1.233 121.562 120.400 -0.118 0.000 2.209 463 K HA 0.336 4.657 4.320 0.001 0.000 0.238 463 K C -1.661 174.919 176.600 -0.033 0.000 1.028 463 K CA -2.488 53.739 56.287 -0.100 0.000 0.935 463 K CB 0.437 32.866 32.500 -0.118 0.000 1.162 463 K HN 0.316 nan 8.250 nan 0.000 0.485 464 P HA -0.056 nan 4.420 nan 0.000 0.218 464 P C 0.463 177.768 177.300 0.007 0.000 1.146 464 P CA 1.241 64.344 63.100 0.006 0.000 0.813 464 P CB 0.235 31.947 31.700 0.020 0.000 0.778 465 S N -1.510 114.197 115.700 0.012 0.000 2.603 465 S HA 0.159 4.630 4.470 0.001 0.000 0.229 465 S C 1.753 176.350 174.600 -0.006 0.000 0.972 465 S CA 0.824 59.031 58.200 0.012 0.000 0.935 465 S CB -1.106 62.113 63.200 0.031 0.000 0.769 465 S HN 0.355 nan 8.310 nan 0.000 0.536 466 G N 1.430 110.221 108.800 -0.016 0.000 2.205 466 G HA2 -0.323 3.638 3.960 0.001 0.000 0.269 466 G HA3 -0.323 3.638 3.960 0.001 0.000 0.269 466 G C 0.117 174.990 174.900 -0.044 0.000 0.977 466 G CA 0.789 45.874 45.100 -0.025 0.000 0.652 466 G HN 0.491 nan 8.290 nan 0.000 0.539 467 K N -0.667 119.703 120.400 -0.049 0.000 2.168 467 K HA 0.657 4.978 4.320 0.001 0.000 0.239 467 K C 0.466 176.994 176.600 -0.121 0.000 0.999 467 K CA -0.425 55.816 56.287 -0.078 0.000 0.900 467 K CB 1.264 33.739 32.500 -0.042 0.000 1.111 467 K HN 0.228 nan 8.250 nan 0.000 0.452 468 c N 0.048 118.535 118.600 -0.189 0.000 2.345 468 c HA 0.366 4.936 4.570 0.001 0.000 0.370 468 c C 1.492 175.540 174.090 -0.069 0.000 1.209 468 c CA -0.792 55.385 56.329 -0.253 0.000 2.133 468 c CB -0.203 41.970 42.510 -0.561 0.000 2.293 468 c HN 0.821 nan 8.230 nan 0.000 0.544 469 F N 0.152 120.070 119.950 -0.053 0.000 2.661 469 F HA 0.120 4.648 4.527 0.001 0.000 0.298 469 F C 0.811 176.606 175.800 -0.008 0.000 1.137 469 F CA 0.090 58.086 58.000 -0.007 0.000 1.454 469 F CB 0.038 39.078 39.000 0.066 0.000 1.103 469 F HN 0.604 nan 8.300 nan 0.000 0.577 470 F N -0.823 119.206 119.950 0.131 0.000 2.522 470 F HA 0.510 5.037 4.527 0.001 0.000 0.324 470 F C 0.176 175.985 175.800 0.015 0.000 1.077 470 F CA -1.018 57.007 58.000 0.041 0.000 0.944 470 F CB 1.021 40.066 39.000 0.074 0.000 1.175 470 F HN -0.222 nan 8.300 nan 0.000 0.468 471 Q N 1.798 121.674 119.800 0.128 0.000 2.140 471 Q HA 0.354 4.694 4.340 0.001 0.000 0.227 471 Q C 0.054 176.138 176.000 0.141 0.000 0.798 471 Q CA -0.180 55.651 55.803 0.047 0.000 0.987 471 Q CB 1.933 30.683 28.738 0.021 0.000 1.161 471 Q HN 1.008 nan 8.270 nan 0.000 0.480 472 G N -0.151 108.792 108.800 0.238 0.000 2.571 472 G HA2 0.576 4.537 3.960 0.001 0.000 0.304 472 G HA3 0.576 4.537 3.960 0.001 0.000 0.304 472 G C -1.648 173.371 174.900 0.198 0.000 1.314 472 G CA -0.043 45.148 45.100 0.152 0.000 0.975 472 G HN -0.087 nan 8.290 nan 0.000 0.485 473 D N -1.229 119.253 120.400 0.137 0.000 2.692 473 D HA 0.530 5.171 4.640 0.001 0.000 0.290 473 D C -0.947 175.414 176.300 0.100 0.000 1.281 473 D CA -0.347 53.709 54.000 0.094 0.000 0.804 473 D CB 1.999 42.855 40.800 0.093 0.000 1.331 473 D HN 0.744 nan 8.370 nan 0.000 0.432 474 H N -2.235 116.778 119.070 -0.094 0.000 2.960 474 H HA 0.680 5.237 4.556 0.001 0.000 0.323 474 H C 0.383 175.479 175.328 -0.387 0.000 1.326 474 H CA -0.336 55.606 56.048 -0.177 0.000 1.124 474 H CB 1.579 31.227 29.762 -0.190 0.000 1.853 474 H HN 0.633 nan 8.280 nan 0.000 0.536 475 G N -0.811 107.838 108.800 -0.250 0.000 2.485 475 G HA2 -0.153 3.808 3.960 0.001 0.000 0.181 475 G HA3 -0.153 3.808 3.960 0.001 0.000 0.181 475 G C -0.396 174.400 174.900 -0.174 0.000 0.999 475 G CA -0.364 44.547 45.100 -0.315 0.000 0.721 475 G HN 0.433 nan 8.290 nan 0.000 0.486 476 F N 2.208 122.239 119.950 0.134 0.000 2.532 476 F HA 0.426 4.954 4.527 0.001 0.000 0.323 476 F C 1.153 177.155 175.800 0.336 0.000 1.234 476 F CA -0.183 57.958 58.000 0.236 0.000 1.323 476 F CB 0.228 39.325 39.000 0.162 0.000 1.183 476 F HN 0.013 nan 8.300 nan 0.000 0.589 477 D N 1.900 122.578 120.400 0.464 0.000 2.877 477 D HA -0.189 4.452 4.640 0.001 0.000 0.220 477 D C 0.999 177.413 176.300 0.190 0.000 1.089 477 D CA 0.165 54.242 54.000 0.128 0.000 0.811 477 D CB 0.224 41.019 40.800 -0.007 0.000 1.162 477 D HN 0.600 nan 8.370 nan 0.000 0.513 478 N N 3.399 122.199 118.700 0.165 0.000 2.571 478 N HA -0.191 4.549 4.740 0.001 0.000 0.189 478 N C 1.135 176.698 175.510 0.088 0.000 1.154 478 N CA 0.645 53.791 53.050 0.160 0.000 0.907 478 N CB -0.248 38.347 38.487 0.181 0.000 0.977 478 N HN 0.639 nan 8.380 nan 0.000 0.449 479 K N -0.368 120.059 120.400 0.044 0.000 2.404 479 K HA 0.167 4.488 4.320 0.001 0.000 0.194 479 K C -0.131 176.467 176.600 -0.003 0.000 1.023 479 K CA -0.275 56.020 56.287 0.015 0.000 1.094 479 K CB 0.279 32.780 32.500 0.001 0.000 0.841 479 K HN -0.125 nan 8.250 nan 0.000 0.523 480 V N 3.329 123.258 119.914 0.025 0.000 2.540 480 V HA -0.102 4.018 4.120 0.001 0.000 0.297 480 V C 1.343 177.418 176.094 -0.033 0.000 1.024 480 V CA -0.083 62.220 62.300 0.005 0.000 1.105 480 V CB 0.668 32.513 31.823 0.037 0.000 0.938 480 V HN 0.448 nan 8.190 nan 0.000 0.482 481 N N 3.433 122.091 118.700 -0.071 0.000 2.061 481 N HA -0.177 4.564 4.740 0.001 0.000 0.193 481 N C 2.096 177.543 175.510 -0.105 0.000 1.030 481 N CA 2.051 55.020 53.050 -0.133 0.000 0.856 481 N CB -0.026 38.405 38.487 -0.093 0.000 1.023 481 N HN 0.884 nan 8.380 nan 0.000 0.424 482 S N -0.289 115.388 115.700 -0.039 0.000 2.442 482 S HA -0.051 4.419 4.470 0.001 0.000 0.236 482 S C 1.761 176.361 174.600 0.001 0.000 1.007 482 S CA 0.726 58.911 58.200 -0.025 0.000 0.965 482 S CB -0.088 63.117 63.200 0.009 0.000 0.773 482 S HN 0.203 nan 8.310 nan 0.000 0.504 483 M N 0.797 120.425 119.600 0.047 0.000 2.556 483 M HA 0.272 4.753 4.480 0.001 0.000 0.245 483 M C 0.248 176.585 176.300 0.061 0.000 1.128 483 M CA 0.412 55.777 55.300 0.109 0.000 1.069 483 M CB -0.906 31.800 32.600 0.178 0.000 1.469 483 M HN 0.295 nan 8.290 nan 0.000 0.494 484 Q N 0.559 120.340 119.800 -0.032 0.000 2.392 484 Q HA 0.189 4.530 4.340 0.001 0.000 0.262 484 Q C 0.497 176.508 176.000 0.017 0.000 1.003 484 Q CA 0.508 56.287 55.803 -0.041 0.000 0.888 484 Q CB 0.990 29.559 28.738 -0.280 0.000 1.260 484 Q HN 0.133 nan 8.270 nan 0.000 0.435 485 T N -0.432 114.172 114.554 0.083 0.000 2.633 485 T HA 0.606 4.957 4.350 0.001 0.000 0.262 485 T C -1.145 173.641 174.700 0.145 0.000 0.920 485 T CA -0.611 61.548 62.100 0.097 0.000 1.062 485 T CB 1.479 70.389 68.868 0.070 0.000 1.390 485 T HN 0.318 nan 8.240 nan 0.000 0.549 486 V N 1.523 121.513 119.914 0.126 0.000 2.667 486 V HA 0.846 4.967 4.120 0.001 0.000 0.308 486 V C -1.573 174.610 176.094 0.148 0.000 1.048 486 V CA -0.743 61.638 62.300 0.135 0.000 0.928 486 V CB 1.447 33.300 31.823 0.050 0.000 1.004 486 V HN 0.737 nan 8.190 nan 0.000 0.444 487 F N 5.352 125.326 119.950 0.041 0.000 2.573 487 F HA 0.774 5.301 4.527 0.001 0.000 0.316 487 F C -1.355 174.524 175.800 0.131 0.000 1.148 487 F CA -0.407 57.637 58.000 0.072 0.000 0.940 487 F CB 1.950 40.986 39.000 0.060 0.000 1.214 487 F HN 0.344 nan 8.300 nan 0.000 0.448 488 V N 4.672 124.055 119.914 -0.885 0.000 2.686 488 V HA 0.778 4.899 4.120 0.001 0.000 0.306 488 V C -0.193 175.188 176.094 -1.189 0.000 1.065 488 V CA -0.619 61.225 62.300 -0.760 0.000 0.894 488 V CB 1.804 33.453 31.823 -0.291 0.000 1.004 488 V HN 1.038 nan 8.190 nan 0.000 0.424 489 G N 2.578 110.708 108.800 -1.117 0.000 2.470 489 G HA2 0.633 4.594 3.960 0.001 0.000 0.320 489 G HA3 0.633 4.594 3.960 0.001 0.000 0.320 489 G C -1.890 172.545 174.900 -0.775 0.000 1.245 489 G CA -0.483 43.728 45.100 -1.482 0.000 0.935 489 G HN 0.637 nan 8.290 nan 0.000 0.476 490 Y N 1.566 121.616 120.300 -0.416 0.000 2.421 490 Y HA 0.664 5.214 4.550 -0.001 0.000 0.339 490 Y C 0.236 176.284 175.900 0.245 0.000 0.996 490 Y CA 0.348 58.447 58.100 -0.002 0.000 1.046 490 Y CB 2.130 40.572 38.460 -0.030 0.000 1.226 490 Y HN 1.229 nan 8.280 nan 0.000 0.445 491 G N 5.172 113.869 108.800 -0.172 0.000 2.369 491 G HA2 0.008 3.969 3.960 0.001 0.000 0.307 491 G HA3 0.008 3.969 3.960 0.001 0.000 0.307 491 G C -2.781 172.110 174.900 -0.015 0.000 1.327 491 G CA -0.542 44.537 45.100 -0.034 0.000 0.963 491 G HN 0.334 nan 8.290 nan 0.000 0.590 492 P HA -0.034 nan 4.420 nan 0.000 0.219 492 P C 1.445 178.725 177.300 -0.034 0.000 1.146 492 P CA 2.118 65.196 63.100 -0.036 0.000 0.808 492 P CB 0.017 31.698 31.700 -0.033 0.000 0.779 493 T N -1.710 112.804 114.554 -0.068 0.000 3.057 493 T HA 0.114 4.465 4.350 0.001 0.000 0.254 493 T C 0.649 175.211 174.700 -0.230 0.000 1.094 493 T CA 0.227 62.222 62.100 -0.174 0.000 1.088 493 T CB -0.354 68.350 68.868 -0.272 0.000 0.934 493 T HN -0.030 nan 8.240 nan 0.000 0.497 494 F N 1.680 121.644 119.950 0.023 0.000 2.380 494 F HA 0.372 4.899 4.527 -0.001 0.000 0.325 494 F C 0.968 176.793 175.800 0.042 0.000 1.136 494 F CA -1.010 57.017 58.000 0.045 0.000 1.171 494 F CB 0.769 39.809 39.000 0.066 0.000 1.230 494 F HN -0.332 nan 8.300 nan 0.000 0.554 495 K N 0.760 121.337 120.400 0.294 0.000 2.168 495 K HA 0.104 4.424 4.320 0.001 0.000 0.258 495 K C -1.087 175.648 176.600 0.226 0.000 1.010 495 K CA -0.411 56.001 56.287 0.207 0.000 0.929 495 K CB 0.657 33.260 32.500 0.171 0.000 0.998 495 K HN 0.553 nan 8.250 nan 0.000 0.479 496 Y N 1.475 121.815 120.300 0.066 0.000 2.308 496 Y HA 0.090 4.638 4.550 -0.003 0.000 0.329 496 Y C 0.002 175.946 175.900 0.074 0.000 1.111 496 Y CA -0.247 57.882 58.100 0.049 0.000 1.179 496 Y CB 0.736 39.210 38.460 0.023 0.000 1.201 496 Y HN 0.593 nan 8.280 nan 0.000 0.483 497 R N 3.031 123.292 120.500 -0.397 0.000 3.109 497 R HA -0.176 4.164 4.340 0.001 0.000 0.241 497 R C -1.051 175.215 176.300 -0.057 0.000 0.882 497 R CA 1.125 57.033 56.100 -0.319 0.000 0.604 497 R CB -2.034 27.924 30.300 -0.569 0.000 1.040 497 R HN 0.667 nan 8.270 nan 0.000 0.480 498 T N 0.377 114.962 114.554 0.052 0.000 2.848 498 T HA 0.369 4.719 4.350 0.001 0.000 0.285 498 T C -0.294 174.463 174.700 0.096 0.000 0.995 498 T CA -0.824 61.328 62.100 0.087 0.000 0.970 498 T CB 2.439 71.370 68.868 0.106 0.000 0.976 498 T HN 0.189 nan 8.240 nan 0.000 0.441 499 K N 2.609 123.024 120.400 0.024 0.000 2.159 499 K HA 0.710 5.030 4.320 0.001 0.000 0.266 499 K C -0.408 176.153 176.600 -0.065 0.000 0.975 499 K CA -0.709 55.467 56.287 -0.185 0.000 0.865 499 K CB 0.857 33.246 32.500 -0.185 0.000 1.087 499 K HN 0.490 nan 8.250 nan 0.000 0.446 500 V N 0.907 120.783 119.914 -0.064 0.000 2.960 500 V HA 0.690 4.811 4.120 0.001 0.000 0.315 500 V C -2.595 173.544 176.094 0.077 0.000 1.087 500 V CA -2.584 59.777 62.300 0.102 0.000 0.982 500 V CB 1.246 33.166 31.823 0.161 0.000 1.039 500 V HN 0.758 nan 8.190 nan 0.000 0.437 501 P HA 0.300 nan 4.420 nan 0.000 0.272 501 P C -2.720 174.621 177.300 0.068 0.000 1.230 501 P CA -1.333 61.803 63.100 0.060 0.000 0.788 501 P CB -0.452 31.296 31.700 0.080 0.000 0.949 502 P HA 0.059 nan 4.420 nan 0.000 0.267 502 P C -0.662 176.635 177.300 -0.004 0.000 1.200 502 P CA 0.700 63.602 63.100 -0.329 0.000 0.772 502 P CB 0.049 31.220 31.700 -0.883 0.000 0.855 503 F N -1.844 118.062 119.950 -0.075 0.000 2.715 503 F HA 0.620 5.147 4.527 0.000 0.000 0.318 503 F C -0.621 175.184 175.800 0.008 0.000 1.141 503 F CA -1.386 56.599 58.000 -0.025 0.000 0.950 503 F CB 1.079 40.046 39.000 -0.054 0.000 1.374 503 F HN 0.144 nan 8.300 nan 0.000 0.477 504 E N 0.865 121.231 120.200 0.276 0.000 2.242 504 E HA 0.162 4.513 4.350 0.001 0.000 0.275 504 E C 0.092 176.832 176.600 0.233 0.000 1.002 504 E CA -0.554 55.949 56.400 0.173 0.000 0.841 504 E CB 1.132 30.938 29.700 0.177 0.000 1.109 504 E HN 0.702 nan 8.360 nan 0.000 0.394 505 N N 3.260 122.044 118.700 0.141 0.000 2.453 505 N HA -0.172 4.569 4.740 0.001 0.000 0.183 505 N C 1.607 177.202 175.510 0.142 0.000 1.041 505 N CA 1.038 54.186 53.050 0.164 0.000 0.900 505 N CB -0.578 37.992 38.487 0.139 0.000 0.961 505 N HN 0.672 nan 8.380 nan 0.000 0.443 506 I N -2.228 118.397 120.570 0.091 0.000 2.567 506 I HA -0.036 4.134 4.170 0.001 0.000 0.257 506 I C 1.063 177.177 176.117 -0.005 0.000 1.184 506 I CA 1.225 62.517 61.300 -0.014 0.000 1.451 506 I CB -0.197 37.707 38.000 -0.160 0.000 1.089 506 I HN -0.136 nan 8.210 nan 0.000 0.441 507 E N 1.564 121.798 120.200 0.056 0.000 2.358 507 E HA 0.013 4.364 4.350 0.001 0.000 0.195 507 E C 2.288 178.860 176.600 -0.046 0.000 1.010 507 E CA 0.720 57.113 56.400 -0.012 0.000 0.856 507 E CB -0.076 29.608 29.700 -0.028 0.000 0.795 507 E HN 0.622 nan 8.360 nan 0.000 0.504 508 L N -0.137 121.115 121.223 0.049 0.000 2.156 508 L HA -0.133 4.207 4.340 0.001 0.000 0.208 508 L C 2.460 179.361 176.870 0.051 0.000 1.095 508 L CA 0.790 55.664 54.840 0.058 0.000 0.770 508 L CB -0.452 41.717 42.059 0.184 0.000 0.914 508 L HN 0.121 nan 8.230 nan 0.000 0.439 509 Y N 1.473 121.732 120.300 -0.069 0.000 2.114 509 Y HA -0.353 4.198 4.550 0.001 0.000 0.282 509 Y C 2.503 178.292 175.900 -0.185 0.000 1.165 509 Y CA 1.948 59.980 58.100 -0.114 0.000 1.148 509 Y CB -0.130 38.233 38.460 -0.161 0.000 0.972 509 Y HN 0.246 nan 8.280 nan 0.000 0.504 510 N N -0.010 118.494 118.700 -0.327 0.000 2.104 510 N HA -0.187 4.554 4.740 0.001 0.000 0.190 510 N C 1.925 177.159 175.510 -0.460 0.000 1.024 510 N CA 1.791 54.455 53.050 -0.643 0.000 0.853 510 N CB -0.670 37.275 38.487 -0.903 0.000 1.008 510 N HN 0.334 nan 8.380 nan 0.000 0.424 511 V N 1.689 121.450 119.914 -0.255 0.000 2.358 511 V HA -0.163 3.957 4.120 0.001 0.000 0.246 511 V C 2.338 178.383 176.094 -0.081 0.000 1.047 511 V CA 1.288 63.514 62.300 -0.124 0.000 1.035 511 V CB -0.405 31.372 31.823 -0.077 0.000 0.658 511 V HN 0.271 nan 8.190 nan 0.000 0.452 512 M N -1.114 118.447 119.600 -0.065 0.000 2.159 512 M HA -0.200 4.280 4.480 0.001 0.000 0.263 512 M C 2.421 178.659 176.300 -0.103 0.000 1.063 512 M CA 1.723 57.015 55.300 -0.013 0.000 1.110 512 M CB -0.791 31.847 32.600 0.063 0.000 1.374 512 M HN 0.411 nan 8.290 nan 0.000 0.411 513 C N 0.769 119.907 119.300 -0.270 0.000 2.413 513 C HA -0.168 4.293 4.460 0.001 0.000 0.276 513 C C 2.274 177.191 174.990 -0.123 0.000 1.236 513 C CA 0.946 59.804 59.018 -0.267 0.000 1.735 513 C CB -1.065 26.401 27.740 -0.456 0.000 2.031 513 C HN 0.545 nan 8.230 nan 0.000 0.474 514 D N 0.918 121.263 120.400 -0.091 0.000 2.116 514 D HA -0.119 4.522 4.640 0.001 0.000 0.193 514 D C 1.939 178.224 176.300 -0.025 0.000 0.998 514 D CA 1.197 55.197 54.000 -0.001 0.000 0.836 514 D CB -0.525 40.301 40.800 0.043 0.000 0.951 514 D HN 0.464 nan 8.370 nan 0.000 0.449 515 L N -0.198 120.997 121.223 -0.047 0.000 2.362 515 L HA -0.054 4.286 4.340 0.001 0.000 0.219 515 L C 1.799 178.669 176.870 0.000 0.000 1.134 515 L CA 0.444 55.258 54.840 -0.043 0.000 0.807 515 L CB -0.044 41.992 42.059 -0.038 0.000 0.927 515 L HN 0.011 nan 8.230 nan 0.000 0.447 516 L N -0.891 120.331 121.223 -0.001 0.000 2.808 516 L HA 0.304 4.645 4.340 0.001 0.000 0.246 516 L C 1.154 178.026 176.870 0.004 0.000 1.153 516 L CA 0.003 54.852 54.840 0.015 0.000 0.956 516 L CB 0.348 42.418 42.059 0.019 0.000 1.270 516 L HN 0.283 nan 8.230 nan 0.000 0.528 517 G N 1.396 110.195 108.800 -0.001 0.000 2.273 517 G HA2 -0.272 3.689 3.960 0.001 0.000 0.280 517 G HA3 -0.272 3.689 3.960 0.001 0.000 0.280 517 G C -0.120 174.778 174.900 -0.003 0.000 1.047 517 G CA 0.232 45.336 45.100 0.006 0.000 0.869 517 G HN 0.253 nan 8.290 nan 0.000 0.502 518 L N -1.081 120.126 121.223 -0.027 0.000 2.322 518 L HA 0.575 4.915 4.340 0.001 0.000 0.269 518 L C 0.608 177.450 176.870 -0.047 0.000 1.012 518 L CA -1.104 53.707 54.840 -0.048 0.000 0.815 518 L CB 1.576 43.578 42.059 -0.094 0.000 1.295 518 L HN -0.015 nan 8.230 nan 0.000 0.438 519 K N 2.959 123.338 120.400 -0.034 0.000 2.253 519 K HA 0.346 4.666 4.320 0.001 0.000 0.277 519 K C -2.402 174.157 176.600 -0.068 0.000 1.053 519 K CA -1.638 54.638 56.287 -0.019 0.000 0.892 519 K CB 1.010 33.521 32.500 0.018 0.000 1.102 519 K HN 0.249 nan 8.250 nan 0.000 0.469 520 P HA 0.057 nan 4.420 nan 0.000 0.275 520 P C -0.551 176.774 177.300 0.042 0.000 1.227 520 P CA -0.357 62.663 63.100 -0.132 0.000 0.781 520 P CB 0.976 32.497 31.700 -0.299 0.000 0.906 521 A N 5.219 128.130 122.820 0.151 0.000 2.429 521 A HA 0.331 4.651 4.320 0.001 0.000 0.242 521 A C -1.994 175.610 177.584 0.033 0.000 1.088 521 A CA -1.030 51.042 52.037 0.058 0.000 0.784 521 A CB -1.652 17.346 19.000 -0.004 0.000 1.038 521 A HN 0.425 nan 8.150 nan 0.000 0.501 522 P HA 0.151 nan 4.420 nan 0.000 0.263 522 P C -0.668 176.573 177.300 -0.097 0.000 1.195 522 P CA 0.469 63.543 63.100 -0.043 0.000 0.762 522 P CB 0.239 31.913 31.700 -0.043 0.000 0.799 523 N N 0.776 119.416 118.700 -0.100 0.000 3.204 523 N HA 0.271 5.011 4.740 0.001 0.000 0.285 523 N C -0.342 175.063 175.510 -0.175 0.000 1.536 523 N CA -0.919 52.027 53.050 -0.174 0.000 0.832 523 N CB 0.559 38.922 38.487 -0.206 0.000 1.645 523 N HN -0.030 nan 8.380 nan 0.000 0.586 524 N N -1.799 116.736 118.700 -0.275 0.000 2.280 524 N HA 0.190 4.930 4.740 0.001 0.000 0.192 524 N C 0.510 175.891 175.510 -0.215 0.000 1.109 524 N CA -0.085 52.769 53.050 -0.328 0.000 0.855 524 N CB 0.374 38.386 38.487 -0.791 0.000 0.974 524 N HN 0.595 nan 8.380 nan 0.000 0.482 525 G N -0.137 108.563 108.800 -0.166 0.000 2.699 525 G HA2 0.147 4.108 3.960 0.001 0.000 0.246 525 G HA3 0.147 4.108 3.960 0.001 0.000 0.246 525 G C -0.401 174.474 174.900 -0.042 0.000 1.219 525 G CA -0.084 44.959 45.100 -0.095 0.000 0.866 525 G HN 0.008 nan 8.290 nan 0.000 0.572 526 T N 0.358 114.901 114.554 -0.018 0.000 2.893 526 T HA 0.212 4.562 4.350 0.001 0.000 0.324 526 T C -0.141 174.569 174.700 0.018 0.000 1.082 526 T CA -0.210 61.899 62.100 0.015 0.000 0.983 526 T CB 0.121 69.003 68.868 0.024 0.000 1.005 526 T HN 0.582 nan 8.240 nan 0.000 0.475 527 H N 1.759 120.750 119.070 -0.131 0.000 3.026 527 H HA 0.378 4.934 4.556 0.001 0.000 0.289 527 H C 1.399 176.685 175.328 -0.071 0.000 1.022 527 H CA 1.055 56.956 56.048 -0.244 0.000 1.477 527 H CB 0.102 29.500 29.762 -0.606 0.000 1.510 527 H HN 0.990 nan 8.280 nan 0.000 0.535 528 G N 2.355 111.282 108.800 0.211 0.000 2.316 528 G HA2 -0.364 3.597 3.960 0.001 0.000 0.203 528 G HA3 -0.364 3.597 3.960 0.001 0.000 0.203 528 G C 1.348 176.273 174.900 0.041 0.000 0.999 528 G CA 0.320 45.499 45.100 0.132 0.000 0.649 528 G HN 0.670 nan 8.290 nan 0.000 0.489 529 S N 0.059 115.768 115.700 0.015 0.000 2.500 529 S HA 0.223 4.694 4.470 0.001 0.000 0.239 529 S C 1.715 176.354 174.600 0.065 0.000 0.989 529 S CA 1.318 59.528 58.200 0.016 0.000 0.951 529 S CB -0.127 63.077 63.200 0.006 0.000 0.759 529 S HN 0.552 nan 8.310 nan 0.000 0.523 530 L N 0.761 121.969 121.223 -0.026 0.000 3.014 530 L HA 0.350 4.690 4.340 0.001 0.000 0.263 530 L C 1.085 177.852 176.870 -0.172 0.000 1.207 530 L CA -0.245 54.467 54.840 -0.214 0.000 1.017 530 L CB -0.166 41.641 42.059 -0.421 0.000 1.360 530 L HN 0.137 nan 8.230 nan 0.000 0.560 531 N N 0.728 119.437 118.700 0.015 0.000 2.272 531 N HA -0.196 4.544 4.740 0.001 0.000 0.185 531 N C 1.791 177.313 175.510 0.021 0.000 1.014 531 N CA 1.216 54.281 53.050 0.025 0.000 0.870 531 N CB -0.159 38.363 38.487 0.058 0.000 0.975 531 N HN 0.539 nan 8.380 nan 0.000 0.433 532 H N -1.022 118.034 119.070 -0.024 0.000 2.563 532 H HA 0.048 4.604 4.556 0.000 0.000 0.272 532 H C 1.346 176.693 175.328 0.031 0.000 1.005 532 H CA 0.317 56.364 56.048 -0.002 0.000 1.171 532 H CB -0.279 29.475 29.762 -0.013 0.000 1.351 532 H HN 0.104 nan 8.280 nan 0.000 0.602 533 L N 0.597 121.639 121.223 -0.302 0.000 2.492 533 L HA 0.173 4.513 4.340 0.001 0.000 0.223 533 L C 0.762 177.704 176.870 0.119 0.000 1.132 533 L CA 0.572 55.368 54.840 -0.074 0.000 0.850 533 L CB -0.000 42.016 42.059 -0.071 0.000 0.966 533 L HN 0.165 nan 8.230 nan 0.000 0.454 534 L N -1.302 119.934 121.223 0.022 0.000 2.334 534 L HA 0.382 4.723 4.340 0.001 0.000 0.276 534 L C 1.380 178.254 176.870 0.007 0.000 1.014 534 L CA -0.453 54.376 54.840 -0.019 0.000 0.815 534 L CB 2.050 44.054 42.059 -0.092 0.000 1.268 534 L HN -0.074 nan 8.230 nan 0.000 0.428 535 R N 0.729 121.228 120.500 -0.001 0.000 2.073 535 R HA -0.003 4.338 4.340 0.001 0.000 0.229 535 R C 0.404 176.695 176.300 -0.014 0.000 1.120 535 R CA 1.622 57.727 56.100 0.008 0.000 0.967 535 R CB 0.309 30.615 30.300 0.010 0.000 0.862 535 R HN 0.895 nan 8.270 nan 0.000 0.436 536 T N -3.819 110.711 114.554 -0.040 0.000 2.647 536 T HA 0.273 4.624 4.350 0.001 0.000 0.295 536 T C -0.395 174.274 174.700 -0.052 0.000 1.126 536 T CA -0.447 61.631 62.100 -0.037 0.000 1.040 536 T CB 1.011 69.860 68.868 -0.032 0.000 1.472 536 T HN 0.218 nan 8.240 nan 0.000 0.500 537 N N 0.290 118.969 118.700 -0.035 0.000 2.741 537 N HA -0.158 4.582 4.740 0.001 0.000 0.251 537 N C 0.258 175.768 175.510 0.001 0.000 1.112 537 N CA 1.398 54.434 53.050 -0.023 0.000 0.750 537 N CB -2.136 36.324 38.487 -0.045 0.000 1.119 537 N HN 1.161 nan 8.380 nan 0.000 0.561 538 T N -2.628 111.925 114.554 -0.002 0.000 2.795 538 T HA 0.296 4.646 4.350 0.001 0.000 0.314 538 T C 0.149 174.881 174.700 0.052 0.000 1.069 538 T CA -0.512 61.602 62.100 0.023 0.000 1.071 538 T CB 0.880 69.750 68.868 0.004 0.000 0.988 538 T HN 0.201 nan 8.240 nan 0.000 0.543 539 F N 1.341 121.223 119.950 -0.114 0.000 2.411 539 F HA 0.451 4.978 4.527 0.000 0.000 0.352 539 F C 0.540 176.229 175.800 -0.184 0.000 1.123 539 F CA -1.398 56.465 58.000 -0.229 0.000 1.044 539 F CB 1.164 39.813 39.000 -0.585 0.000 1.135 539 F HN 0.640 nan 8.300 nan 0.000 0.461 540 R N 8.411 128.458 120.500 -0.755 0.000 2.248 540 R HA 0.306 4.647 4.340 0.001 0.000 0.337 540 R C -2.457 173.387 176.300 -0.760 0.000 1.085 540 R CA -1.583 54.191 56.100 -0.544 0.000 0.934 540 R CB 0.225 30.317 30.300 -0.347 0.000 1.034 540 R HN 0.426 nan 8.270 nan 0.000 0.465 541 P HA 0.140 nan 4.420 nan 0.000 0.276 541 P C -1.059 176.340 177.300 0.166 0.000 1.252 541 P CA -0.278 62.804 63.100 -0.030 0.000 0.802 541 P CB 1.424 33.137 31.700 0.021 0.000 1.035 542 T N -1.109 113.604 114.554 0.265 0.000 2.881 542 T HA 0.353 4.703 4.350 0.001 0.000 0.290 542 T C -0.083 174.746 174.700 0.214 0.000 1.000 542 T CA -1.001 61.206 62.100 0.178 0.000 0.978 542 T CB 0.716 69.620 68.868 0.060 0.000 0.997 542 T HN 0.133 nan 8.240 nan 0.000 0.443 543 L N 4.161 125.315 121.223 -0.114 0.000 2.559 543 L HA 0.297 4.638 4.340 0.001 0.000 0.282 543 L C -2.000 174.867 176.870 -0.005 0.000 1.232 543 L CA -0.949 53.758 54.840 -0.222 0.000 0.885 543 L CB -0.446 41.398 42.059 -0.358 0.000 1.131 543 L HN 0.584 nan 8.230 nan 0.000 0.498 544 P HA 0.158 nan 4.420 nan 0.000 0.271 544 P C -1.053 176.261 177.300 0.023 0.000 1.218 544 P CA -0.355 62.782 63.100 0.062 0.000 0.780 544 P CB 0.423 32.173 31.700 0.083 0.000 0.901 545 E N 0.987 121.205 120.200 0.029 0.000 2.316 545 E HA 0.057 4.408 4.350 0.001 0.000 0.275 545 E C 0.019 176.633 176.600 0.023 0.000 1.029 545 E CA -0.389 56.023 56.400 0.020 0.000 0.871 545 E CB 0.553 30.267 29.700 0.025 0.000 1.022 545 E HN 0.435 nan 8.360 nan 0.000 0.418 546 E N 2.362 122.573 120.200 0.019 0.000 2.415 546 E HA -0.037 4.313 4.350 0.001 0.000 0.263 546 E C 0.164 176.782 176.600 0.029 0.000 0.995 546 E CA -0.170 56.244 56.400 0.024 0.000 0.915 546 E CB 0.734 30.456 29.700 0.038 0.000 0.951 546 E HN 0.303 nan 8.360 nan 0.000 0.449 547 V N 2.821 122.748 119.914 0.022 0.000 2.795 547 V HA 0.020 4.141 4.120 0.001 0.000 0.243 547 V C 0.192 176.298 176.094 0.020 0.000 1.069 547 V CA 0.672 62.985 62.300 0.022 0.000 1.089 547 V CB 0.739 32.577 31.823 0.025 0.000 0.756 547 V HN 0.520 nan 8.190 nan 0.000 0.471 548 S N 0.558 116.271 115.700 0.021 0.000 2.478 548 S HA 0.697 5.167 4.470 0.001 0.000 0.312 548 S C 0.121 174.801 174.600 0.133 0.000 1.094 548 S CA -0.486 57.751 58.200 0.063 0.000 1.081 548 S CB 1.406 64.640 63.200 0.058 0.000 1.007 548 S HN 0.521 nan 8.310 nan 0.000 0.475 549 R N 3.602 124.132 120.500 0.049 0.000 2.410 549 R HA 0.702 5.043 4.340 0.001 0.000 0.288 549 R C -2.843 173.323 176.300 -0.222 0.000 1.051 549 R CA -1.878 54.222 56.100 -0.000 0.000 1.021 549 R CB -1.060 29.248 30.300 0.012 0.000 1.032 549 R HN 0.548 nan 8.270 nan 0.000 0.481 550 P HA 0.216 nan 4.420 nan 0.000 0.277 550 P C -1.059 175.827 177.300 -0.689 0.000 1.240 550 P CA -0.661 61.811 63.100 -1.047 0.000 0.798 550 P CB 0.888 31.947 31.700 -1.069 0.000 0.979 551 N N 0.949 119.269 118.700 -0.633 0.000 2.463 551 N HA 0.183 4.923 4.740 0.001 0.000 0.270 551 N C -0.609 174.584 175.510 -0.528 0.000 1.205 551 N CA 0.027 52.859 53.050 -0.364 0.000 0.974 551 N CB 0.452 38.823 38.487 -0.195 0.000 1.197 551 N HN 0.447 nan 8.380 nan 0.000 0.504 552 Y N 0.179 120.450 120.300 -0.049 0.000 2.658 552 Y HA 0.271 4.821 4.550 0.001 0.000 0.362 552 Y C -1.780 174.130 175.900 0.016 0.000 1.017 552 Y CA -1.653 56.442 58.100 -0.009 0.000 1.134 552 Y CB 0.276 38.771 38.460 0.059 0.000 1.144 552 Y HN 0.264 nan 8.280 nan 0.000 0.655 553 P HA 0.136 nan 4.420 nan 0.000 0.267 553 P C 0.557 177.920 177.300 0.106 0.000 1.205 553 P CA 0.276 63.430 63.100 0.091 0.000 0.765 553 P CB 1.489 33.236 31.700 0.078 0.000 0.828 554 G N 2.430 111.289 108.800 0.098 0.000 2.537 554 G HA2 0.439 4.399 3.960 0.001 0.000 0.297 554 G HA3 0.439 4.399 3.960 0.001 0.000 0.297 554 G C -0.078 174.876 174.900 0.090 0.000 1.310 554 G CA -1.072 44.082 45.100 0.090 0.000 1.027 554 G HN 0.507 nan 8.290 nan 0.000 0.505 555 I N 0.794 121.413 120.570 0.082 0.000 2.581 555 I HA 0.030 4.200 4.170 0.001 0.000 0.285 555 I C 0.763 176.906 176.117 0.043 0.000 1.129 555 I CA 0.658 62.012 61.300 0.090 0.000 1.397 555 I CB 0.674 38.717 38.000 0.071 0.000 1.399 555 I HN 0.461 nan 8.210 nan 0.000 0.537 556 M N 4.903 124.526 119.600 0.038 0.000 2.180 556 M HA 0.178 4.659 4.480 0.001 0.000 0.289 556 M C -0.262 175.874 176.300 -0.273 0.000 1.089 556 M CA 0.074 55.277 55.300 -0.162 0.000 1.120 556 M CB 0.637 33.048 32.600 -0.315 0.000 1.864 556 M HN 0.338 nan 8.290 nan 0.000 0.636 557 Y N 0.554 120.925 120.300 0.118 0.000 2.545 557 Y HA 0.654 5.204 4.550 0.001 0.000 0.324 557 Y C -0.389 175.614 175.900 0.172 0.000 1.220 557 Y CA -0.997 57.176 58.100 0.121 0.000 1.290 557 Y CB 0.839 39.382 38.460 0.139 0.000 1.355 557 Y HN -0.140 nan 8.280 nan 0.000 0.516 558 L N 0.203 121.624 121.223 0.330 0.000 2.330 558 L HA 0.456 4.796 4.340 0.001 0.000 0.271 558 L C 1.369 178.470 176.870 0.385 0.000 1.013 558 L CA -0.334 54.663 54.840 0.262 0.000 0.816 558 L CB 1.160 43.305 42.059 0.143 0.000 1.287 558 L HN 0.801 nan 8.230 nan 0.000 0.435 559 Q N 0.880 120.859 119.800 0.298 0.000 2.197 559 Q HA -0.223 4.117 4.340 0.001 0.000 0.207 559 Q C 2.059 178.242 176.000 0.305 0.000 0.984 559 Q CA 2.215 58.200 55.803 0.304 0.000 0.869 559 Q CB -1.250 27.573 28.738 0.141 0.000 0.906 559 Q HN 0.876 nan 8.270 nan 0.000 0.426 560 S N 0.028 115.842 115.700 0.189 0.000 2.474 560 S HA -0.138 4.332 4.470 0.001 0.000 0.235 560 S C 1.240 175.886 174.600 0.076 0.000 0.997 560 S CA 1.173 59.442 58.200 0.115 0.000 0.949 560 S CB -0.096 63.148 63.200 0.073 0.000 0.766 560 S HN 0.661 nan 8.310 nan 0.000 0.517 561 D N 0.456 120.887 120.400 0.051 0.000 2.317 561 D HA 0.134 4.775 4.640 0.001 0.000 0.211 561 D C -0.507 175.584 176.300 -0.347 0.000 0.966 561 D CA 0.478 54.368 54.000 -0.184 0.000 0.876 561 D CB -0.106 40.509 40.800 -0.309 0.000 0.927 561 D HN 0.451 nan 8.370 nan 0.000 0.519 562 F N 0.949 120.900 119.950 0.002 0.000 2.405 562 F HA 0.217 4.745 4.527 0.001 0.000 0.355 562 F C 0.616 176.414 175.800 -0.004 0.000 1.121 562 F CA -0.840 57.151 58.000 -0.015 0.000 1.112 562 F CB 1.235 40.230 39.000 -0.008 0.000 1.126 562 F HN -0.365 nan 8.300 nan 0.000 0.481 563 D N 4.803 125.273 120.400 0.117 0.000 2.517 563 D HA 0.315 4.956 4.640 0.001 0.000 0.301 563 D C 0.171 176.521 176.300 0.083 0.000 1.202 563 D CA 0.091 54.139 54.000 0.081 0.000 0.910 563 D CB 0.240 41.057 40.800 0.028 0.000 1.021 563 D HN 0.496 nan 8.370 nan 0.000 0.499 564 L N 0.222 121.513 121.223 0.114 0.000 2.731 564 L HA 0.379 4.719 4.340 0.001 0.000 0.240 564 L C 1.649 178.567 176.870 0.080 0.000 1.120 564 L CA 0.215 55.116 54.840 0.101 0.000 0.913 564 L CB 0.517 42.654 42.059 0.131 0.000 1.213 564 L HN 0.450 nan 8.230 nan 0.000 0.515 565 G N -0.065 108.778 108.800 0.072 0.000 2.157 565 G HA2 -0.251 3.710 3.960 0.001 0.000 0.248 565 G HA3 -0.251 3.710 3.960 0.001 0.000 0.248 565 G C 0.236 175.173 174.900 0.061 0.000 0.979 565 G CA -0.045 45.093 45.100 0.064 0.000 0.650 565 G HN 0.306 nan 8.290 nan 0.000 0.529 566 c N 1.768 120.402 118.600 0.056 0.000 2.536 566 c HA 0.779 5.349 4.570 0.001 0.000 0.396 566 c C 0.921 175.033 174.090 0.037 0.000 1.279 566 c CA 0.456 56.808 56.329 0.037 0.000 2.148 566 c CB 0.382 42.903 42.510 0.019 0.000 2.584 566 c HN 0.898 nan 8.230 nan 0.000 0.579 567 T N -0.226 114.347 114.554 0.033 0.000 2.893 567 T HA 0.594 4.945 4.350 0.001 0.000 0.293 567 T C -1.008 173.702 174.700 0.018 0.000 1.027 567 T CA -0.635 61.484 62.100 0.031 0.000 0.988 567 T CB 1.348 70.239 68.868 0.037 0.000 1.043 567 T HN 0.802 nan 8.240 nan 0.000 0.461 568 c N 2.787 121.397 118.600 0.016 0.000 2.432 568 c HA 0.506 5.076 4.570 0.001 0.000 0.334 568 c C 0.600 174.706 174.090 0.027 0.000 1.155 568 c CA -0.525 55.801 56.329 -0.005 0.000 1.335 568 c CB 0.261 42.772 42.510 0.001 0.000 1.964 568 c HN 1.025 nan 8.230 nan 0.000 0.444 569 D N 2.107 122.523 120.400 0.027 0.000 2.378 569 D HA 0.090 4.730 4.640 0.001 0.000 0.227 569 D C 0.312 176.684 176.300 0.120 0.000 1.012 569 D CA 1.351 55.391 54.000 0.067 0.000 0.905 569 D CB 0.189 41.034 40.800 0.074 0.000 0.895 569 D HN 0.692 nan 8.370 nan 0.000 0.532 570 D N -0.455 120.042 120.400 0.163 0.000 2.552 570 D HA 0.390 5.030 4.640 0.001 0.000 0.239 570 D C -0.859 175.573 176.300 0.220 0.000 1.139 570 D CA -0.543 53.596 54.000 0.231 0.000 0.914 570 D CB 1.694 42.767 40.800 0.456 0.000 1.461 570 D HN -0.298 nan 8.370 nan 0.000 0.462 571 K N 0.997 121.473 120.400 0.126 0.000 2.469 571 K HA 0.344 4.665 4.320 0.001 0.000 0.254 571 K C -0.968 175.443 176.600 -0.315 0.000 0.939 571 K CA -0.934 55.331 56.287 -0.037 0.000 0.812 571 K CB 1.903 34.383 32.500 -0.034 0.000 1.301 571 K HN 0.175 nan 8.250 nan 0.000 0.433 572 N N 2.631 120.950 118.700 -0.634 0.000 2.589 572 N HA 0.091 4.831 4.740 0.001 0.000 0.232 572 N C 0.034 175.371 175.510 -0.288 0.000 1.015 572 N CA -0.121 52.550 53.050 -0.632 0.000 0.931 572 N CB 0.726 38.652 38.487 -0.934 0.000 1.150 572 N HN 0.400 nan 8.380 nan 0.000 0.512 573 K N 2.371 122.662 120.400 -0.182 0.000 2.365 573 K HA -0.017 4.303 4.320 0.001 0.000 0.197 573 K C 1.389 177.933 176.600 -0.094 0.000 1.042 573 K CA 0.124 56.345 56.287 -0.109 0.000 0.987 573 K CB 0.065 32.521 32.500 -0.073 0.000 0.779 573 K HN 0.399 nan 8.250 nan 0.000 0.484 574 L N 2.572 123.731 121.223 -0.105 0.000 2.083 574 L HA -0.180 4.161 4.340 0.001 0.000 0.209 574 L C 2.196 179.018 176.870 -0.080 0.000 1.083 574 L CA 1.916 56.709 54.840 -0.078 0.000 0.752 574 L CB -0.496 41.523 42.059 -0.067 0.000 0.899 574 L HN 0.305 nan 8.230 nan 0.000 0.433 575 E N -0.934 119.203 120.200 -0.105 0.000 2.204 575 E HA -0.243 4.108 4.350 0.001 0.000 0.194 575 E C 1.573 178.112 176.600 -0.101 0.000 0.989 575 E CA 1.305 57.642 56.400 -0.106 0.000 0.824 575 E CB -0.550 29.078 29.700 -0.118 0.000 0.756 575 E HN 0.663 nan 8.360 nan 0.000 0.477 576 E N 0.726 120.876 120.200 -0.084 0.000 2.401 576 E HA -0.087 4.264 4.350 0.001 0.000 0.199 576 E C 1.734 178.302 176.600 -0.053 0.000 1.023 576 E CA 0.687 57.050 56.400 -0.062 0.000 0.859 576 E CB -0.048 29.623 29.700 -0.047 0.000 0.780 576 E HN 0.410 nan 8.360 nan 0.000 0.523 577 L N 0.510 121.700 121.223 -0.056 0.000 2.585 577 L HA 0.088 4.428 4.340 0.001 0.000 0.226 577 L C 0.908 177.749 176.870 -0.048 0.000 1.113 577 L CA -0.300 54.513 54.840 -0.045 0.000 0.876 577 L CB 0.047 42.082 42.059 -0.039 0.000 1.072 577 L HN 0.006 nan 8.230 nan 0.000 0.468 578 N N 1.533 120.195 118.700 -0.063 0.000 2.448 578 N HA 0.012 4.753 4.740 0.001 0.000 0.250 578 N C 0.827 176.296 175.510 -0.068 0.000 1.136 578 N CA 0.335 53.345 53.050 -0.067 0.000 0.953 578 N CB 0.721 39.156 38.487 -0.087 0.000 1.251 578 N HN 0.129 nan 8.380 nan 0.000 0.502 579 K N 2.355 122.726 120.400 -0.050 0.000 2.147 579 K HA -0.068 4.253 4.320 0.001 0.000 0.205 579 K C 0.606 177.179 176.600 -0.045 0.000 1.049 579 K CA 1.050 57.312 56.287 -0.042 0.000 0.936 579 K CB 0.206 32.687 32.500 -0.031 0.000 0.722 579 K HN 0.487 nan 8.250 nan 0.000 0.446 580 R N 1.216 121.686 120.500 -0.050 0.000 2.480 580 R HA 0.120 4.461 4.340 0.001 0.000 0.277 580 R C -0.117 176.144 176.300 -0.065 0.000 1.008 580 R CA -0.356 55.715 56.100 -0.048 0.000 1.090 580 R CB -0.204 30.070 30.300 -0.044 0.000 1.234 580 R HN 0.004 nan 8.270 nan 0.000 0.549 581 L N 1.775 122.934 121.223 -0.107 0.000 2.578 581 L HA -0.115 4.226 4.340 0.001 0.000 0.279 581 L C 0.188 176.962 176.870 -0.159 0.000 1.227 581 L CA 1.068 55.776 54.840 -0.219 0.000 0.900 581 L CB -0.669 41.190 42.059 -0.334 0.000 1.144 581 L HN 0.531 nan 8.230 nan 0.000 0.496 582 H N 0.635 119.671 119.070 -0.058 0.000 2.899 582 H HA -0.174 4.383 4.556 0.001 0.000 0.282 582 H C 0.212 175.543 175.328 0.004 0.000 1.198 582 H CA 0.475 56.477 56.048 -0.076 0.000 1.140 582 H CB -1.851 27.837 29.762 -0.123 0.000 1.317 582 H HN 0.837 nan 8.280 nan 0.000 0.375 583 T N -2.623 111.966 114.554 0.059 0.000 2.874 583 T HA 0.228 4.579 4.350 0.001 0.000 0.281 583 T C 1.358 175.927 174.700 -0.219 0.000 0.994 583 T CA -0.400 61.687 62.100 -0.021 0.000 1.015 583 T CB 2.631 71.466 68.868 -0.055 0.000 1.028 583 T HN 0.339 nan 8.240 nan 0.000 0.523 584 K N 1.359 121.447 120.400 -0.520 0.000 2.015 584 K HA -0.108 4.212 4.320 0.001 0.000 0.216 584 K C 1.670 177.992 176.600 -0.465 0.000 1.052 584 K CA 1.928 57.603 56.287 -1.018 0.000 0.937 584 K CB -1.285 30.764 32.500 -0.751 0.000 0.719 584 K HN 1.025 nan 8.250 nan 0.000 0.446 585 G N -0.554 108.091 108.800 -0.258 0.000 2.634 585 G HA2 -0.418 3.542 3.960 0.001 0.000 0.309 585 G HA3 -0.418 3.542 3.960 0.001 0.000 0.309 585 G C 0.582 175.408 174.900 -0.124 0.000 1.265 585 G CA 1.283 46.297 45.100 -0.144 0.000 0.998 585 G HN 0.692 nan 8.290 nan 0.000 0.551 586 S N -1.258 114.397 115.700 -0.076 0.000 2.568 586 S HA 0.349 4.820 4.470 0.001 0.000 0.232 586 S C 1.757 176.337 174.600 -0.033 0.000 0.975 586 S CA 1.162 59.328 58.200 -0.056 0.000 0.949 586 S CB 0.515 63.687 63.200 -0.047 0.000 0.829 586 S HN 0.800 nan 8.310 nan 0.000 0.479 587 T N 2.751 117.306 114.554 0.001 0.000 2.708 587 T HA -0.132 4.218 4.350 0.001 0.000 0.266 587 T C 1.613 176.427 174.700 0.190 0.000 1.037 587 T CA 1.829 64.022 62.100 0.154 0.000 1.146 587 T CB -0.342 68.665 68.868 0.232 0.000 0.865 587 T HN 0.690 nan 8.240 nan 0.000 0.435 588 E N 0.958 121.251 120.200 0.156 0.000 2.110 588 E HA -0.205 4.145 4.350 0.001 0.000 0.193 588 E C 2.237 178.896 176.600 0.098 0.000 0.988 588 E CA 1.400 57.924 56.400 0.208 0.000 0.804 588 E CB -0.020 29.807 29.700 0.212 0.000 0.745 588 E HN 0.764 nan 8.360 nan 0.000 0.458 589 E N -0.106 120.107 120.200 0.023 0.000 2.216 589 E HA -0.145 4.206 4.350 0.001 0.000 0.192 589 E C 2.030 178.591 176.600 -0.065 0.000 0.988 589 E CA 0.473 56.861 56.400 -0.019 0.000 0.834 589 E CB -0.006 29.677 29.700 -0.028 0.000 0.772 589 E HN 0.144 nan 8.360 nan 0.000 0.479 590 R N -0.639 119.786 120.500 -0.125 0.000 2.140 590 R HA 0.099 4.439 4.340 0.001 0.000 0.213 590 R C 1.521 177.651 176.300 -0.283 0.000 1.059 590 R CA 0.966 56.901 56.100 -0.275 0.000 1.000 590 R CB 0.122 30.132 30.300 -0.482 0.000 0.910 590 R HN 0.324 nan 8.270 nan 0.000 0.455 591 H N -1.260 117.868 119.070 0.098 0.000 2.874 591 H HA 0.181 4.738 4.556 0.001 0.000 0.264 591 H C -0.233 175.177 175.328 0.137 0.000 1.007 591 H CA 0.065 56.204 56.048 0.153 0.000 1.207 591 H CB 0.859 30.758 29.762 0.229 0.000 1.487 591 H HN -0.049 nan 8.280 nan 0.000 0.505 592 L N 1.968 123.299 121.223 0.180 0.000 2.502 592 L HA 0.247 4.588 4.340 0.001 0.000 0.247 592 L C 0.535 177.361 176.870 -0.074 0.000 1.180 592 L CA 0.001 54.902 54.840 0.102 0.000 0.956 592 L CB 0.139 42.314 42.059 0.193 0.000 1.282 592 L HN 0.015 nan 8.230 nan 0.000 0.470 593 L N 1.854 122.882 121.223 -0.325 0.000 2.376 593 L HA -0.021 4.320 4.340 0.001 0.000 0.219 593 L C 0.317 176.827 176.870 -0.600 0.000 1.133 593 L CA 1.042 55.523 54.840 -0.599 0.000 0.816 593 L CB -0.272 41.203 42.059 -0.974 0.000 0.933 593 L HN 0.592 nan 8.230 nan 0.000 0.449 594 Y N -0.573 119.792 120.300 0.108 0.000 2.706 594 Y HA 0.559 5.110 4.550 0.001 0.000 0.255 594 Y C 1.062 177.008 175.900 0.077 0.000 1.163 594 Y CA -0.475 57.705 58.100 0.132 0.000 1.174 594 Y CB 0.029 38.645 38.460 0.259 0.000 1.200 594 Y HN 0.064 nan 8.280 nan 0.000 0.544 595 G N 1.791 110.651 108.800 0.100 0.000 2.730 595 G HA2 -0.202 3.758 3.960 0.001 0.000 0.686 595 G HA3 -0.202 3.758 3.960 0.001 0.000 0.686 595 G C -0.407 174.492 174.900 -0.002 0.000 1.343 595 G CA -0.789 44.352 45.100 0.069 0.000 0.826 595 G HN 0.568 nan 8.290 nan 0.000 0.582 596 R N 0.498 120.994 120.500 -0.007 0.000 2.543 596 R HA 0.520 4.861 4.340 0.001 0.000 0.277 596 R C -2.412 173.743 176.300 -0.242 0.000 1.074 596 R CA -0.920 55.089 56.100 -0.151 0.000 1.076 596 R CB 0.184 30.539 30.300 0.091 0.000 0.993 596 R HN 0.336 nan 8.270 nan 0.000 0.459 597 P HA 0.010 nan 4.420 nan 0.000 0.268 597 P C -0.912 176.213 177.300 -0.292 0.000 1.205 597 P CA 0.065 62.837 63.100 -0.547 0.000 0.771 597 P CB 0.914 32.050 31.700 -0.939 0.000 0.858 598 A N 3.431 126.115 122.820 -0.227 0.000 2.328 598 A HA 0.351 4.671 4.320 0.001 0.000 0.284 598 A C -0.122 177.385 177.584 -0.127 0.000 1.160 598 A CA -0.447 51.530 52.037 -0.100 0.000 0.818 598 A CB 0.120 19.083 19.000 -0.062 0.000 1.087 598 A HN 0.383 nan 8.150 nan 0.000 0.504 599 V N 4.336 124.196 119.914 -0.090 0.000 2.432 599 V HA 0.108 4.229 4.120 0.001 0.000 0.271 599 V C 0.693 176.718 176.094 -0.115 0.000 1.046 599 V CA 0.197 62.390 62.300 -0.178 0.000 0.945 599 V CB 0.765 32.377 31.823 -0.351 0.000 0.992 599 V HN 0.796 nan 8.190 nan 0.000 0.471 600 L N 6.522 127.737 121.223 -0.013 0.000 2.791 600 L HA 0.339 4.679 4.340 0.001 0.000 0.239 600 L C -0.093 176.886 176.870 0.181 0.000 1.203 600 L CA -0.132 54.754 54.840 0.077 0.000 1.002 600 L CB -0.487 41.632 42.059 0.099 0.000 1.295 600 L HN 0.799 nan 8.230 nan 0.000 0.504 601 Y N -3.565 116.754 120.300 0.032 0.000 2.644 601 Y HA 0.751 5.302 4.550 0.001 0.000 0.338 601 Y C 0.060 175.996 175.900 0.060 0.000 1.119 601 Y CA -1.837 56.289 58.100 0.045 0.000 1.060 601 Y CB 0.523 39.009 38.460 0.044 0.000 1.294 601 Y HN -0.200 nan 8.280 nan 0.000 0.472 602 R N 0.793 121.392 120.500 0.165 0.000 2.316 602 R HA 0.683 5.023 4.340 0.001 0.000 0.314 602 R C -0.487 175.861 176.300 0.080 0.000 1.069 602 R CA 0.390 56.533 56.100 0.072 0.000 0.959 602 R CB 0.032 30.389 30.300 0.094 0.000 0.987 602 R HN 1.022 nan 8.270 nan 0.000 0.446 603 T N -0.306 114.236 114.554 -0.019 0.000 2.733 603 T HA 0.493 4.843 4.350 0.001 0.000 0.312 603 T C -1.360 173.360 174.700 0.034 0.000 1.590 603 T CA 0.216 62.331 62.100 0.026 0.000 1.005 603 T CB 1.586 70.459 68.868 0.008 0.000 1.528 603 T HN 0.910 nan 8.240 nan 0.000 0.496 604 S N 1.806 117.524 115.700 0.030 0.000 2.498 604 S HA 0.800 5.270 4.470 0.001 0.000 0.317 604 S C -1.260 173.367 174.600 0.045 0.000 1.090 604 S CA -0.532 57.662 58.200 -0.010 0.000 1.089 604 S CB 0.071 63.201 63.200 -0.116 0.000 0.997 604 S HN 0.737 nan 8.310 nan 0.000 0.470 605 Y N 1.159 121.380 120.300 -0.132 0.000 2.625 605 Y HA 0.758 5.309 4.550 0.001 0.000 0.338 605 Y C -1.590 174.237 175.900 -0.122 0.000 1.123 605 Y CA -1.160 56.869 58.100 -0.118 0.000 1.046 605 Y CB 1.101 39.495 38.460 -0.110 0.000 1.299 605 Y HN 0.362 nan 8.280 nan 0.000 0.464 606 D N 2.924 123.271 120.400 -0.087 0.000 2.505 606 D HA 0.345 4.986 4.640 0.001 0.000 0.249 606 D C -0.404 175.775 176.300 -0.201 0.000 1.082 606 D CA -0.277 53.588 54.000 -0.224 0.000 0.839 606 D CB 2.662 43.425 40.800 -0.061 0.000 1.317 606 D HN 0.503 nan 8.370 nan 0.000 0.497 607 I N 2.281 122.610 120.570 -0.402 0.000 2.471 607 I HA 0.156 4.327 4.170 0.001 0.000 0.286 607 I C 0.227 176.115 176.117 -0.382 0.000 1.079 607 I CA -0.078 61.010 61.300 -0.353 0.000 1.398 607 I CB 0.127 37.886 38.000 -0.402 0.000 1.403 607 I HN 0.179 nan 8.210 nan 0.000 0.530 608 L N 7.524 128.528 121.223 -0.364 0.000 2.356 608 L HA 0.426 4.767 4.340 0.001 0.000 0.277 608 L C -0.887 175.683 176.870 -0.501 0.000 0.996 608 L CA -0.815 53.799 54.840 -0.377 0.000 0.822 608 L CB 1.445 43.403 42.059 -0.169 0.000 1.256 608 L HN 0.338 nan 8.230 nan 0.000 0.413 609 Y N 0.914 121.011 120.300 -0.338 0.000 2.387 609 Y HA 0.595 5.146 4.550 0.001 0.000 0.330 609 Y C -0.080 175.339 175.900 -0.801 0.000 1.133 609 Y CA -0.528 57.380 58.100 -0.320 0.000 1.152 609 Y CB 1.351 39.754 38.460 -0.096 0.000 1.215 609 Y HN 0.478 nan 8.280 nan 0.000 0.466 610 H N -2.081 116.865 119.070 -0.206 0.000 3.037 610 H HA 0.266 4.823 4.556 0.001 0.000 0.355 610 H C 0.548 175.761 175.328 -0.192 0.000 1.263 610 H CA -0.699 55.135 56.048 -0.357 0.000 1.129 610 H CB 1.243 30.330 29.762 -1.126 0.000 1.861 610 H HN 0.533 nan 8.280 nan 0.000 0.546 611 T N -0.178 114.392 114.554 0.028 0.000 2.737 611 T HA -0.145 4.206 4.350 0.001 0.000 0.269 611 T C 0.636 175.392 174.700 0.094 0.000 1.040 611 T CA 2.017 64.162 62.100 0.074 0.000 1.142 611 T CB -0.115 68.798 68.868 0.076 0.000 0.861 611 T HN 0.554 nan 8.240 nan 0.000 0.456 612 D N -0.223 120.066 120.400 -0.185 0.000 2.423 612 D HA 0.264 4.904 4.640 0.001 0.000 0.208 612 D C 0.087 175.784 176.300 -1.005 0.000 1.068 612 D CA 0.123 53.863 54.000 -0.433 0.000 0.860 612 D CB 0.453 40.988 40.800 -0.442 0.000 0.992 612 D HN 0.545 nan 8.370 nan 0.000 0.504 613 F N -0.870 118.575 119.950 -0.843 0.000 2.693 613 F HA 0.567 5.094 4.527 0.001 0.000 0.309 613 F C -1.092 174.710 175.800 0.003 0.000 1.129 613 F CA -1.283 56.391 58.000 -0.544 0.000 0.948 613 F CB 1.613 40.207 39.000 -0.677 0.000 1.315 613 F HN -0.335 nan 8.300 nan 0.000 0.447 614 E N 1.203 121.610 120.200 0.344 0.000 2.277 614 E HA 0.767 5.118 4.350 0.001 0.000 0.266 614 E C -1.550 175.327 176.600 0.461 0.000 0.901 614 E CA -0.855 55.766 56.400 0.368 0.000 0.782 614 E CB 2.335 32.312 29.700 0.462 0.000 1.228 614 E HN 0.961 nan 8.360 nan 0.000 0.424 615 S N 0.961 116.746 115.700 0.141 0.000 2.607 615 S HA 0.707 5.178 4.470 0.001 0.000 0.273 615 S C -0.489 173.596 174.600 -0.858 0.000 1.148 615 S CA -0.690 57.350 58.200 -0.266 0.000 0.833 615 S CB 1.509 64.758 63.200 0.082 0.000 1.130 615 S HN 0.568 nan 8.310 nan 0.000 0.470 616 G N 0.973 108.835 108.800 -1.564 0.000 2.716 616 G HA2 0.471 4.432 3.960 0.001 0.000 0.333 616 G HA3 0.471 4.432 3.960 0.001 0.000 0.333 616 G C -1.242 173.430 174.900 -0.379 0.000 1.168 616 G CA -0.510 44.003 45.100 -0.979 0.000 1.064 616 G HN 0.683 nan 8.290 nan 0.000 0.479 617 Y N 3.416 123.618 120.300 -0.163 0.000 2.365 617 Y HA 0.486 5.036 4.550 0.001 0.000 0.340 617 Y C 0.690 176.620 175.900 0.050 0.000 1.016 617 Y CA -0.471 57.605 58.100 -0.040 0.000 1.196 617 Y CB 1.339 39.793 38.460 -0.010 0.000 1.167 617 Y HN 0.395 nan 8.280 nan 0.000 0.509 618 S N 4.968 120.392 115.700 -0.461 0.000 2.474 618 S HA 0.108 4.578 4.470 0.001 0.000 0.276 618 S C 0.762 175.126 174.600 -0.393 0.000 1.227 618 S CA -0.475 57.585 58.200 -0.234 0.000 1.050 618 S CB 0.420 63.615 63.200 -0.008 0.000 0.939 618 S HN 0.922 nan 8.310 nan 0.000 0.490 619 E N 3.873 123.964 120.200 -0.183 0.000 2.427 619 E HA -0.050 4.301 4.350 0.001 0.000 0.196 619 E C 1.037 177.517 176.600 -0.201 0.000 1.028 619 E CA 0.523 56.768 56.400 -0.259 0.000 0.864 619 E CB 0.091 29.323 29.700 -0.781 0.000 0.813 619 E HN 0.661 nan 8.360 nan 0.000 0.514 620 I N -0.689 119.772 120.570 -0.182 0.000 2.810 620 I HA -0.054 4.117 4.170 0.001 0.000 0.262 620 I C 1.480 177.347 176.117 -0.416 0.000 1.131 620 I CA 0.957 62.083 61.300 -0.291 0.000 1.453 620 I CB -0.539 37.221 38.000 -0.401 0.000 1.161 620 I HN 0.040 nan 8.210 nan 0.000 0.444 621 F N 0.727 120.624 119.950 -0.088 0.000 2.727 621 F HA 0.321 4.849 4.527 0.001 0.000 0.302 621 F C 1.126 176.906 175.800 -0.034 0.000 1.097 621 F CA 0.081 58.028 58.000 -0.089 0.000 1.330 621 F CB -0.032 38.872 39.000 -0.160 0.000 1.084 621 F HN -0.144 nan 8.300 nan 0.000 0.578 622 L N 0.591 121.823 121.223 0.014 0.000 3.898 622 L HA -0.257 4.084 4.340 0.001 0.000 0.407 622 L C -0.376 176.504 176.870 0.016 0.000 1.207 622 L CA 0.308 55.185 54.840 0.061 0.000 0.931 622 L CB -2.290 39.887 42.059 0.197 0.000 2.014 622 L HN 0.448 nan 8.230 nan 0.000 0.858 623 M N -4.259 115.157 119.600 -0.307 0.000 2.790 623 M HA 0.663 5.143 4.480 0.001 0.000 0.272 623 M C -3.029 173.134 176.300 -0.228 0.000 1.168 623 M CA -1.729 53.510 55.300 -0.102 0.000 0.829 623 M CB 1.813 34.506 32.600 0.154 0.000 1.675 623 M HN -0.313 nan 8.290 nan 0.000 0.505 624 P HA 0.211 nan 4.420 nan 0.000 0.268 624 P C 0.158 177.463 177.300 0.008 0.000 1.205 624 P CA -0.176 62.914 63.100 -0.016 0.000 0.771 624 P CB 0.561 32.307 31.700 0.077 0.000 0.858 625 L N 1.533 122.718 121.223 -0.064 0.000 2.240 625 L HA 0.102 4.443 4.340 0.001 0.000 0.211 625 L C 0.708 177.793 176.870 0.359 0.000 1.106 625 L CA 0.772 55.680 54.840 0.113 0.000 0.793 625 L CB -0.320 41.771 42.059 0.054 0.000 0.927 625 L HN 0.529 nan 8.230 nan 0.000 0.446 626 W N -2.195 119.248 121.300 0.238 0.000 3.248 626 W HA 0.507 5.168 4.660 0.002 0.000 0.311 626 W C -1.445 175.248 176.519 0.290 0.000 1.258 626 W CA -0.782 56.752 57.345 0.316 0.000 1.191 626 W CB 0.880 30.579 29.460 0.397 0.000 1.389 626 W HN -0.467 nan 8.180 nan 0.000 0.561 627 T N 2.194 117.137 114.554 0.648 0.000 2.937 627 T HA 0.366 4.716 4.350 0.001 0.000 0.297 627 T C -1.072 174.054 174.700 0.711 0.000 0.991 627 T CA -0.333 62.104 62.100 0.562 0.000 0.990 627 T CB 1.787 70.869 68.868 0.357 0.000 0.991 627 T HN 0.496 nan 8.240 nan 0.000 0.440 628 S N 3.167 119.332 115.700 0.776 0.000 2.500 628 S HA 0.867 5.338 4.470 0.001 0.000 0.301 628 S C -1.529 173.437 174.600 0.609 0.000 1.092 628 S CA -0.617 57.950 58.200 0.612 0.000 1.030 628 S CB 0.528 64.046 63.200 0.531 0.000 1.031 628 S HN 0.681 nan 8.310 nan 0.000 0.483 629 Y N -0.247 120.262 120.300 0.347 0.000 2.592 629 Y HA 0.663 5.213 4.550 0.001 0.000 0.334 629 Y C -0.938 175.183 175.900 0.367 0.000 1.136 629 Y CA -1.008 57.272 58.100 0.299 0.000 1.042 629 Y CB 0.694 39.306 38.460 0.254 0.000 1.325 629 Y HN 0.377 nan 8.280 nan 0.000 0.457 630 T N 4.678 119.615 114.554 0.639 0.000 2.823 630 T HA 0.623 4.973 4.350 0.001 0.000 0.279 630 T C -0.939 174.008 174.700 0.412 0.000 0.998 630 T CA -0.522 61.811 62.100 0.388 0.000 0.994 630 T CB 0.998 70.028 68.868 0.269 0.000 0.960 630 T HN 0.497 nan 8.240 nan 0.000 0.448 631 I N 3.553 124.284 120.570 0.268 0.000 2.410 631 I HA 0.308 4.479 4.170 0.001 0.000 0.286 631 I C 0.898 177.105 176.117 0.151 0.000 1.009 631 I CA -0.789 60.652 61.300 0.235 0.000 1.111 631 I CB 1.374 39.493 38.000 0.198 0.000 1.262 631 I HN 0.752 nan 8.210 nan 0.000 0.443 632 S N 5.511 121.291 115.700 0.134 0.000 2.614 632 S HA 0.239 4.710 4.470 0.001 0.000 0.265 632 S C 1.209 175.854 174.600 0.074 0.000 1.303 632 S CA -0.454 57.803 58.200 0.096 0.000 1.000 632 S CB 1.612 64.862 63.200 0.083 0.000 0.935 632 S HN 0.708 nan 8.310 nan 0.000 0.551 633 K N 0.486 120.925 120.400 0.064 0.000 2.160 633 K HA -0.195 4.125 4.320 0.001 0.000 0.206 633 K C 1.277 177.899 176.600 0.037 0.000 1.047 633 K CA 1.756 58.074 56.287 0.051 0.000 0.930 633 K CB -0.236 32.296 32.500 0.053 0.000 0.720 633 K HN 0.703 nan 8.250 nan 0.000 0.450 634 Q N 0.146 119.970 119.800 0.039 0.000 2.280 634 Q HA 0.288 4.628 4.340 0.001 0.000 0.201 634 Q C -0.176 175.842 176.000 0.030 0.000 0.890 634 Q CA 0.228 56.049 55.803 0.030 0.000 0.947 634 Q CB 0.956 29.713 28.738 0.031 0.000 1.081 634 Q HN 0.340 nan 8.270 nan 0.000 0.502 635 A N 1.220 124.064 122.820 0.039 0.000 2.555 635 A HA -0.008 4.312 4.320 0.001 0.000 0.233 635 A C 0.125 177.720 177.584 0.019 0.000 1.060 635 A CA 0.210 52.274 52.037 0.045 0.000 0.759 635 A CB 0.266 19.304 19.000 0.064 0.000 0.995 635 A HN 0.166 nan 8.150 nan 0.000 0.506 636 E N 0.943 121.158 120.200 0.024 0.000 2.175 636 E HA 0.400 4.751 4.350 0.001 0.000 0.278 636 E C -0.896 175.701 176.600 -0.006 0.000 0.969 636 E CA -0.529 55.875 56.400 0.007 0.000 0.796 636 E CB 1.741 31.452 29.700 0.018 0.000 1.104 636 E HN 0.396 nan 8.360 nan 0.000 0.395 637 V N 2.794 122.689 119.914 -0.032 0.000 2.465 637 V HA 0.235 4.356 4.120 0.001 0.000 0.279 637 V C 0.470 176.557 176.094 -0.013 0.000 1.045 637 V CA -0.229 62.045 62.300 -0.044 0.000 0.938 637 V CB 1.203 32.966 31.823 -0.099 0.000 0.986 637 V HN 0.767 nan 8.190 nan 0.000 0.467 638 S N 3.075 118.785 115.700 0.017 0.000 2.740 638 S HA 0.728 5.199 4.470 0.001 0.000 0.300 638 S C -0.364 174.291 174.600 0.090 0.000 1.147 638 S CA -0.787 57.433 58.200 0.033 0.000 0.871 638 S CB 1.887 65.099 63.200 0.021 0.000 1.173 638 S HN 0.539 nan 8.310 nan 0.000 0.510 639 S N 0.038 115.779 115.700 0.068 0.000 2.693 639 S HA 0.535 5.005 4.470 0.001 0.000 0.276 639 S C -0.156 174.447 174.600 0.004 0.000 1.192 639 S CA -0.805 57.455 58.200 0.099 0.000 0.994 639 S CB 0.232 63.471 63.200 0.066 0.000 1.012 639 S HN 0.611 nan 8.310 nan 0.000 0.550 640 I N 2.899 123.458 120.570 -0.018 0.000 2.322 640 I HA 0.219 4.389 4.170 0.001 0.000 0.292 640 I C -2.188 173.892 176.117 -0.061 0.000 1.060 640 I CA -2.010 59.254 61.300 -0.060 0.000 1.309 640 I CB 0.514 38.483 38.000 -0.052 0.000 1.415 640 I HN 0.306 nan 8.210 nan 0.000 0.492 641 P HA -0.003 nan 4.420 nan 0.000 0.264 641 P C 0.950 178.139 177.300 -0.185 0.000 1.179 641 P CA 0.298 63.312 63.100 -0.143 0.000 0.763 641 P CB 0.620 32.153 31.700 -0.278 0.000 0.806 642 E N 2.508 122.688 120.200 -0.034 0.000 2.130 642 E HA -0.275 4.076 4.350 0.001 0.000 0.196 642 E C 1.602 178.184 176.600 -0.030 0.000 0.998 642 E CA 1.986 58.382 56.400 -0.007 0.000 0.806 642 E CB -1.551 28.180 29.700 0.051 0.000 0.738 642 E HN 0.808 nan 8.360 nan 0.000 0.459 643 H N -0.868 118.175 119.070 -0.044 0.000 2.559 643 H HA 0.225 4.782 4.556 0.001 0.000 0.273 643 H C 1.706 176.967 175.328 -0.112 0.000 1.000 643 H CA 0.958 56.974 56.048 -0.054 0.000 1.195 643 H CB -0.110 29.632 29.762 -0.033 0.000 1.368 643 H HN 0.401 nan 8.280 nan 0.000 0.592 644 L N 0.647 121.509 121.223 -0.602 0.000 2.693 644 L HA 0.088 4.429 4.340 0.001 0.000 0.235 644 L C 1.851 178.455 176.870 -0.444 0.000 1.127 644 L CA 0.042 54.487 54.840 -0.657 0.000 0.914 644 L CB 0.209 41.687 42.059 -0.968 0.000 1.193 644 L HN 0.106 nan 8.230 nan 0.000 0.502 645 T N 0.588 115.014 114.554 -0.212 0.000 2.620 645 T HA -0.265 4.085 4.350 0.001 0.000 0.267 645 T C 1.140 175.847 174.700 0.011 0.000 1.044 645 T CA 2.140 64.203 62.100 -0.061 0.000 1.161 645 T CB -0.294 68.562 68.868 -0.019 0.000 0.862 645 T HN 0.444 nan 8.240 nan 0.000 0.438 646 N N -0.104 118.596 118.700 0.001 0.000 2.279 646 N HA 0.231 4.972 4.740 0.001 0.000 0.226 646 N C -0.261 175.298 175.510 0.081 0.000 1.126 646 N CA -0.377 52.734 53.050 0.101 0.000 0.846 646 N CB 0.185 38.726 38.487 0.089 0.000 1.050 646 N HN 0.318 nan 8.380 nan 0.000 0.502 647 c N 1.474 120.028 118.600 -0.077 0.000 2.627 647 c HA 0.346 4.917 4.570 0.001 0.000 0.404 647 c C 0.160 174.279 174.090 0.048 0.000 1.340 647 c CA -0.202 56.022 56.329 -0.176 0.000 1.758 647 c CB -1.247 40.873 42.510 -0.649 0.000 2.501 647 c HN 0.058 nan 8.230 nan 0.000 0.588 648 V N 8.118 128.068 119.914 0.060 0.000 2.638 648 V HA 0.572 4.692 4.120 0.001 0.000 0.306 648 V C -0.210 175.916 176.094 0.055 0.000 1.052 648 V CA -0.548 61.813 62.300 0.103 0.000 0.885 648 V CB 1.794 33.610 31.823 -0.011 0.000 0.999 648 V HN 0.856 nan 8.190 nan 0.000 0.424 649 R N 5.180 125.725 120.500 0.075 0.000 2.494 649 R HA 0.510 4.850 4.340 0.001 0.000 0.305 649 R C -2.738 173.523 176.300 -0.064 0.000 0.959 649 R CA -1.885 54.229 56.100 0.024 0.000 0.864 649 R CB 2.156 32.506 30.300 0.083 0.000 1.159 649 R HN 0.433 nan 8.270 nan 0.000 0.446 650 P HA -0.092 nan 4.420 nan 0.000 0.268 650 P C -0.893 176.123 177.300 -0.474 0.000 1.205 650 P CA 0.123 62.927 63.100 -0.495 0.000 0.771 650 P CB 0.695 31.881 31.700 -0.856 0.000 0.858 651 D N 2.381 122.494 120.400 -0.478 0.000 2.427 651 D HA 0.084 4.724 4.640 0.001 0.000 0.226 651 D C 1.215 177.432 176.300 -0.138 0.000 1.076 651 D CA -0.639 53.228 54.000 -0.221 0.000 0.849 651 D CB 0.935 41.650 40.800 -0.143 0.000 1.052 651 D HN 0.056 nan 8.370 nan 0.000 0.515 652 V N 2.601 122.514 119.914 -0.001 0.000 3.330 652 V HA -0.072 4.049 4.120 0.001 0.000 0.273 652 V C 1.705 178.023 176.094 0.373 0.000 1.179 652 V CA 0.966 63.434 62.300 0.280 0.000 1.174 652 V CB -0.780 31.189 31.823 0.242 0.000 0.794 652 V HN 0.363 nan 8.190 nan 0.000 0.527 653 R N -0.195 120.442 120.500 0.230 0.000 2.246 653 R HA 0.349 4.689 4.340 0.001 0.000 0.199 653 R C 0.046 176.504 176.300 0.263 0.000 0.984 653 R CA 0.203 56.430 56.100 0.212 0.000 1.015 653 R CB 0.542 30.888 30.300 0.078 0.000 0.930 653 R HN 0.491 nan 8.270 nan 0.000 0.475 654 V N 1.384 121.432 119.914 0.224 0.000 2.540 654 V HA 0.149 4.270 4.120 0.001 0.000 0.302 654 V C 0.073 176.219 176.094 0.087 0.000 1.035 654 V CA -0.970 61.426 62.300 0.159 0.000 0.873 654 V CB 1.873 33.661 31.823 -0.058 0.000 0.992 654 V HN 0.256 nan 8.190 nan 0.000 0.428 655 S N 5.423 121.097 115.700 -0.044 0.000 2.573 655 S HA 0.219 4.690 4.470 0.001 0.000 0.277 655 S C -1.642 172.792 174.600 -0.278 0.000 1.346 655 S CA -0.514 57.314 58.200 -0.620 0.000 1.034 655 S CB 0.990 63.964 63.200 -0.376 0.000 0.879 655 S HN 0.560 nan 8.310 nan 0.000 0.528 656 P HA 0.024 nan 4.420 nan 0.000 0.218 656 P C 1.564 178.793 177.300 -0.118 0.000 1.148 656 P CA 1.538 64.527 63.100 -0.184 0.000 0.822 656 P CB -0.409 31.039 31.700 -0.421 0.000 0.784 657 G N -2.005 106.630 108.800 -0.275 0.000 2.484 657 G HA2 -0.162 3.798 3.960 0.001 0.000 0.218 657 G HA3 -0.162 3.798 3.960 0.001 0.000 0.218 657 G C 0.746 175.494 174.900 -0.253 0.000 1.130 657 G CA 0.095 45.001 45.100 -0.324 0.000 0.784 657 G HN 0.280 nan 8.290 nan 0.000 0.543 658 F N 1.146 121.121 119.950 0.043 0.000 2.750 658 F HA 0.381 4.908 4.527 0.001 0.000 0.297 658 F C 0.532 176.465 175.800 0.222 0.000 1.138 658 F CA -0.628 57.448 58.000 0.127 0.000 1.346 658 F CB 0.758 39.851 39.000 0.155 0.000 0.965 658 F HN -0.077 nan 8.300 nan 0.000 0.514 659 S N -0.281 115.599 115.700 0.300 0.000 2.600 659 S HA 0.392 4.862 4.470 0.001 0.000 0.300 659 S C -0.358 174.381 174.600 0.233 0.000 1.087 659 S CA -0.866 57.504 58.200 0.283 0.000 0.965 659 S CB 1.944 65.272 63.200 0.212 0.000 1.089 659 S HN 0.151 nan 8.310 nan 0.000 0.496 660 Q N 1.216 121.163 119.800 0.246 0.000 2.443 660 Q HA 0.298 4.639 4.340 0.001 0.000 0.232 660 Q C -0.305 175.796 176.000 0.169 0.000 1.026 660 Q CA -0.332 55.599 55.803 0.213 0.000 0.924 660 Q CB 0.318 29.225 28.738 0.281 0.000 1.256 660 Q HN 0.740 nan 8.270 nan 0.000 0.519 661 N N -1.582 117.205 118.700 0.144 0.000 2.314 661 N HA 0.238 4.979 4.740 0.001 0.000 0.294 661 N C -0.521 175.084 175.510 0.160 0.000 1.029 661 N CA -0.716 52.407 53.050 0.122 0.000 0.845 661 N CB 1.185 39.718 38.487 0.078 0.000 1.321 661 N HN 0.458 nan 8.380 nan 0.000 0.481 662 c N 1.159 119.848 118.600 0.148 0.000 2.422 662 c HA -0.021 4.550 4.570 0.001 0.000 0.286 662 c C 2.229 176.428 174.090 0.181 0.000 1.412 662 c CA -0.056 56.385 56.329 0.185 0.000 1.786 662 c CB -1.591 40.959 42.510 0.066 0.000 1.835 662 c HN 0.825 nan 8.230 nan 0.000 0.533 663 L N 2.070 123.357 121.223 0.107 0.000 2.017 663 L HA -0.067 4.274 4.340 0.001 0.000 0.208 663 L C 2.688 179.587 176.870 0.048 0.000 1.073 663 L CA 2.232 57.116 54.840 0.074 0.000 0.745 663 L CB -0.902 41.185 42.059 0.046 0.000 0.894 663 L HN 0.268 nan 8.230 nan 0.000 0.432 664 A N -1.131 121.680 122.820 -0.014 0.000 1.903 664 A HA -0.316 4.005 4.320 0.001 0.000 0.219 664 A C 2.169 179.669 177.584 -0.141 0.000 1.191 664 A CA 2.392 54.354 52.037 -0.125 0.000 0.638 664 A CB -1.299 17.546 19.000 -0.258 0.000 0.823 664 A HN 0.586 nan 8.150 nan 0.000 0.451 665 Y N -0.167 120.173 120.300 0.068 0.000 2.200 665 Y HA -0.128 4.423 4.550 0.001 0.000 0.290 665 Y C 3.001 178.962 175.900 0.101 0.000 1.137 665 Y CA 2.083 60.244 58.100 0.102 0.000 1.163 665 Y CB -0.447 38.103 38.460 0.150 0.000 0.988 665 Y HN 0.390 nan 8.280 nan 0.000 0.518 666 K N 0.690 121.224 120.400 0.222 0.000 2.103 666 K HA -0.210 4.111 4.320 0.001 0.000 0.207 666 K C 1.536 178.199 176.600 0.105 0.000 1.048 666 K CA 2.076 58.455 56.287 0.152 0.000 0.930 666 K CB -1.305 31.266 32.500 0.118 0.000 0.716 666 K HN 0.660 nan 8.250 nan 0.000 0.444 667 N N -0.111 118.634 118.700 0.076 0.000 2.376 667 N HA -0.069 4.671 4.740 0.001 0.000 0.177 667 N C 0.038 175.579 175.510 0.050 0.000 1.024 667 N CA 0.109 53.189 53.050 0.050 0.000 0.893 667 N CB 0.251 38.755 38.487 0.027 0.000 0.980 667 N HN 0.402 nan 8.380 nan 0.000 0.439 668 D N 1.864 122.297 120.400 0.054 0.000 2.374 668 D HA -0.013 4.628 4.640 0.001 0.000 0.240 668 D C 0.690 177.046 176.300 0.094 0.000 1.229 668 D CA -0.004 54.032 54.000 0.060 0.000 0.895 668 D CB 0.694 41.516 40.800 0.037 0.000 1.046 668 D HN 0.291 nan 8.370 nan 0.000 0.498 669 K N 2.222 122.673 120.400 0.084 0.000 2.504 669 K HA -0.066 4.254 4.320 0.001 0.000 0.195 669 K C 1.039 177.704 176.600 0.109 0.000 1.036 669 K CA 0.778 57.118 56.287 0.088 0.000 0.984 669 K CB 0.312 32.852 32.500 0.066 0.000 0.788 669 K HN 0.375 nan 8.250 nan 0.000 0.488 670 Q N -0.148 119.735 119.800 0.139 0.000 2.423 670 Q HA 0.166 4.507 4.340 0.001 0.000 0.231 670 Q C 0.091 176.260 176.000 0.282 0.000 0.894 670 Q CA -0.093 55.833 55.803 0.204 0.000 0.938 670 Q CB 0.363 29.239 28.738 0.229 0.000 1.079 670 Q HN 0.211 nan 8.270 nan 0.000 0.552 671 M N 0.749 120.464 119.600 0.191 0.000 2.209 671 M HA 0.262 4.743 4.480 0.001 0.000 0.355 671 M C -0.340 176.089 176.300 0.215 0.000 1.171 671 M CA -0.171 55.197 55.300 0.113 0.000 1.069 671 M CB 1.535 34.146 32.600 0.019 0.000 1.622 671 M HN -0.078 nan 8.290 nan 0.000 0.459 672 S N 3.704 119.511 115.700 0.178 0.000 2.702 672 S HA 0.854 5.324 4.470 0.001 0.000 0.272 672 S C -1.388 173.254 174.600 0.069 0.000 1.068 672 S CA -0.440 57.839 58.200 0.132 0.000 0.964 672 S CB 0.648 63.829 63.200 -0.032 0.000 1.307 672 S HN 0.706 nan 8.310 nan 0.000 0.567 673 Y N -1.830 118.323 120.300 -0.245 0.000 2.615 673 Y HA 0.861 5.412 4.550 0.001 0.000 0.341 673 Y C -0.172 175.461 175.900 -0.445 0.000 1.089 673 Y CA -0.732 57.086 58.100 -0.470 0.000 1.049 673 Y CB 0.794 38.692 38.460 -0.937 0.000 1.296 673 Y HN 0.796 nan 8.280 nan 0.000 0.470 674 G N 0.386 108.978 108.800 -0.346 0.000 2.866 674 G HA2 0.680 4.640 3.960 0.001 0.000 0.289 674 G HA3 0.680 4.640 3.960 0.001 0.000 0.289 674 G C -2.398 172.191 174.900 -0.518 0.000 1.396 674 G CA -1.081 43.771 45.100 -0.413 0.000 0.848 674 G HN 0.445 nan 8.290 nan 0.000 0.515 675 F N -0.321 119.680 119.950 0.086 0.000 2.532 675 F HA 0.487 5.014 4.527 0.001 0.000 0.321 675 F C 1.191 177.063 175.800 0.120 0.000 1.089 675 F CA -0.857 57.154 58.000 0.018 0.000 0.926 675 F CB 2.185 41.111 39.000 -0.123 0.000 1.168 675 F HN 0.216 nan 8.300 nan 0.000 0.459 676 L N 1.027 122.389 121.223 0.231 0.000 2.044 676 L HA -0.039 4.302 4.340 0.001 0.000 0.205 676 L C 0.522 177.454 176.870 0.102 0.000 1.075 676 L CA 1.068 56.067 54.840 0.265 0.000 0.747 676 L CB -0.071 42.101 42.059 0.188 0.000 0.903 676 L HN 0.443 nan 8.230 nan 0.000 0.435 677 F N 3.517 123.213 119.950 -0.424 0.000 2.411 677 F HA 0.341 4.868 4.527 0.001 0.000 0.355 677 F C -2.162 173.260 175.800 -0.630 0.000 1.117 677 F CA -3.161 54.332 58.000 -0.844 0.000 1.139 677 F CB 0.646 38.673 39.000 -1.621 0.000 1.120 677 F HN -0.220 nan 8.300 nan 0.000 0.493 678 P HA 0.198 nan 4.420 nan 0.000 0.282 678 P C -2.530 174.148 177.300 -1.038 0.000 1.262 678 P CA -1.565 61.021 63.100 -0.855 0.000 0.773 678 P CB 1.196 32.544 31.700 -0.587 0.000 0.879 679 P HA -0.153 nan 4.420 nan 0.000 0.218 679 P C 1.058 178.005 177.300 -0.589 0.000 1.146 679 P CA 1.496 64.110 63.100 -0.810 0.000 0.813 679 P CB -0.477 30.595 31.700 -1.048 0.000 0.778 680 Y N -1.288 118.783 120.300 -0.381 0.000 2.333 680 Y HA -0.080 4.470 4.550 0.001 0.000 0.290 680 Y C 1.800 177.538 175.900 -0.270 0.000 1.144 680 Y CA 0.615 58.543 58.100 -0.287 0.000 1.228 680 Y CB -0.723 37.556 38.460 -0.302 0.000 0.985 680 Y HN -0.077 nan 8.280 nan 0.000 0.542 681 L N -0.126 120.942 121.223 -0.258 0.000 2.910 681 L HA 0.181 4.522 4.340 0.001 0.000 0.252 681 L C 0.709 177.596 176.870 0.028 0.000 1.195 681 L CA -0.443 54.299 54.840 -0.162 0.000 1.003 681 L CB -0.141 41.766 42.059 -0.253 0.000 1.328 681 L HN 0.020 nan 8.230 nan 0.000 0.540 682 S N -0.573 115.148 115.700 0.034 0.000 2.558 682 S HA -0.051 4.420 4.470 0.001 0.000 0.287 682 S C 1.366 176.057 174.600 0.150 0.000 1.321 682 S CA 0.065 58.379 58.200 0.190 0.000 1.048 682 S CB 1.046 64.299 63.200 0.088 0.000 0.844 682 S HN 0.397 nan 8.310 nan 0.000 0.512 683 S N 0.688 116.489 115.700 0.167 0.000 2.562 683 S HA 0.256 4.727 4.470 0.001 0.000 0.221 683 S C 0.573 175.234 174.600 0.102 0.000 0.975 683 S CA 0.047 58.328 58.200 0.134 0.000 0.918 683 S CB -0.876 62.411 63.200 0.144 0.000 0.772 683 S HN 1.641 nan 8.310 nan 0.000 0.531 684 S N -1.070 114.691 115.700 0.103 0.000 2.597 684 S HA 0.463 4.934 4.470 0.001 0.000 0.274 684 S C -3.115 171.552 174.600 0.112 0.000 1.132 684 S CA -1.011 57.246 58.200 0.095 0.000 0.835 684 S CB 0.901 64.156 63.200 0.091 0.000 1.092 684 S HN -0.073 nan 8.310 nan 0.000 0.457 685 P HA -0.047 nan 4.420 nan 0.000 0.218 685 P C 0.934 178.391 177.300 0.261 0.000 1.148 685 P CA 1.472 64.662 63.100 0.150 0.000 0.822 685 P CB 0.018 31.805 31.700 0.145 0.000 0.784 686 E N -0.236 120.099 120.200 0.225 0.000 2.047 686 E HA -0.096 4.255 4.350 0.001 0.000 0.191 686 E C 2.174 178.944 176.600 0.284 0.000 0.987 686 E CA 1.476 58.023 56.400 0.245 0.000 0.799 686 E CB -1.176 28.591 29.700 0.112 0.000 0.752 686 E HN 0.131 nan 8.360 nan 0.000 0.449 687 A N 1.043 123.980 122.820 0.196 0.000 2.015 687 A HA -0.202 4.119 4.320 0.001 0.000 0.219 687 A C 2.015 179.716 177.584 0.196 0.000 1.163 687 A CA 1.438 53.581 52.037 0.176 0.000 0.646 687 A CB -0.430 18.648 19.000 0.130 0.000 0.806 687 A HN 0.101 nan 8.150 nan 0.000 0.448 688 K N -1.345 119.158 120.400 0.171 0.000 2.218 688 K HA -0.211 4.109 4.320 0.001 0.000 0.205 688 K C 1.526 178.166 176.600 0.068 0.000 1.046 688 K CA 1.658 57.979 56.287 0.058 0.000 0.933 688 K CB -0.331 32.168 32.500 -0.002 0.000 0.728 688 K HN 0.624 nan 8.250 nan 0.000 0.454 689 Y N 1.341 121.751 120.300 0.185 0.000 2.256 689 Y HA -0.240 4.310 4.550 0.001 0.000 0.288 689 Y C 2.041 178.060 175.900 0.200 0.000 1.155 689 Y CA 1.300 59.545 58.100 0.242 0.000 1.203 689 Y CB -0.111 38.439 38.460 0.150 0.000 0.980 689 Y HN 0.182 nan 8.280 nan 0.000 0.530 690 D N -0.293 120.282 120.400 0.290 0.000 2.149 690 D HA -0.168 4.472 4.640 0.001 0.000 0.198 690 D C 2.185 178.562 176.300 0.130 0.000 0.990 690 D CA 1.329 55.487 54.000 0.263 0.000 0.839 690 D CB -0.348 40.613 40.800 0.268 0.000 0.948 690 D HN 0.373 nan 8.370 nan 0.000 0.460 691 A N -0.284 122.486 122.820 -0.085 0.000 2.121 691 A HA -0.079 4.241 4.320 0.001 0.000 0.218 691 A C 1.484 178.463 177.584 -1.009 0.000 1.154 691 A CA 0.552 52.304 52.037 -0.476 0.000 0.679 691 A CB -0.657 17.954 19.000 -0.649 0.000 0.795 691 A HN 0.174 nan 8.150 nan 0.000 0.458 692 F N -0.257 119.412 119.950 -0.468 0.000 2.693 692 F HA 0.319 4.847 4.527 0.001 0.000 0.303 692 F C 0.477 176.186 175.800 -0.152 0.000 1.097 692 F CA -0.425 57.253 58.000 -0.536 0.000 1.330 692 F CB -0.117 38.695 39.000 -0.313 0.000 1.067 692 F HN -0.027 nan 8.300 nan 0.000 0.565 693 L N 0.224 121.480 121.223 0.055 0.000 2.483 693 L HA -0.041 4.300 4.340 0.001 0.000 0.276 693 L C 1.743 178.691 176.870 0.129 0.000 1.213 693 L CA -0.132 54.769 54.840 0.101 0.000 0.843 693 L CB 0.733 42.860 42.059 0.113 0.000 1.107 693 L HN -0.055 nan 8.230 nan 0.000 0.487 694 V N 2.021 121.982 119.914 0.079 0.000 2.867 694 V HA -0.212 3.909 4.120 0.001 0.000 0.260 694 V C 2.106 178.281 176.094 0.134 0.000 1.099 694 V CA 2.313 64.666 62.300 0.089 0.000 1.122 694 V CB -0.401 31.441 31.823 0.032 0.000 0.708 694 V HN 1.095 nan 8.190 nan 0.000 0.490 695 T N -2.757 111.847 114.554 0.083 0.000 3.129 695 T HA 0.010 4.361 4.350 0.001 0.000 0.251 695 T C 1.393 176.248 174.700 0.258 0.000 1.117 695 T CA 0.934 63.092 62.100 0.096 0.000 1.034 695 T CB -0.391 68.349 68.868 -0.214 0.000 0.968 695 T HN 0.467 nan 8.240 nan 0.000 0.526 696 N N 0.178 119.009 118.700 0.219 0.000 2.236 696 N HA 0.270 5.011 4.740 0.001 0.000 0.196 696 N C 0.163 175.847 175.510 0.290 0.000 1.114 696 N CA -0.282 52.883 53.050 0.192 0.000 0.859 696 N CB -0.032 38.479 38.487 0.040 0.000 0.982 696 N HN 0.482 nan 8.380 nan 0.000 0.493 697 M N 1.339 121.105 119.600 0.277 0.000 2.277 697 M HA 0.382 4.862 4.480 0.001 0.000 0.350 697 M C -0.872 175.475 176.300 0.080 0.000 1.180 697 M CA -0.652 54.725 55.300 0.128 0.000 1.103 697 M CB 1.059 33.657 32.600 -0.003 0.000 1.577 697 M HN -0.069 nan 8.290 nan 0.000 0.459 698 V N 2.294 122.191 119.914 -0.028 0.000 3.049 698 V HA 0.770 4.891 4.120 0.001 0.000 0.309 698 V C -2.911 173.185 176.094 0.003 0.000 1.148 698 V CA -1.947 60.378 62.300 0.041 0.000 0.990 698 V CB 1.573 33.419 31.823 0.040 0.000 1.039 698 V HN 0.758 nan 8.190 nan 0.000 0.430 699 P HA 0.469 nan 4.420 nan 0.000 0.282 699 P C -1.020 176.274 177.300 -0.010 0.000 1.262 699 P CA -0.002 63.227 63.100 0.216 0.000 0.773 699 P CB 0.840 32.726 31.700 0.311 0.000 0.879 700 M N 3.153 122.743 119.600 -0.016 0.000 2.324 700 M HA 0.283 4.764 4.480 0.001 0.000 0.288 700 M C -0.648 175.763 176.300 0.184 0.000 1.097 700 M CA -0.864 54.435 55.300 -0.002 0.000 0.928 700 M CB 2.054 34.588 32.600 -0.108 0.000 1.648 700 M HN 0.169 nan 8.290 nan 0.000 0.460 701 Y N 2.285 122.870 120.300 0.476 0.000 2.597 701 Y HA 0.053 4.603 4.550 0.001 0.000 0.336 701 Y C -1.531 174.487 175.900 0.197 0.000 1.216 701 Y CA -0.714 57.528 58.100 0.237 0.000 1.463 701 Y CB -0.076 38.463 38.460 0.132 0.000 1.303 701 Y HN 0.515 nan 8.280 nan 0.000 0.576 702 P HA -0.282 nan 4.420 nan 0.000 0.216 702 P C 1.162 178.573 177.300 0.186 0.000 1.150 702 P CA 2.599 65.803 63.100 0.173 0.000 0.843 702 P CB 0.130 31.903 31.700 0.122 0.000 0.787 703 A N -1.214 121.730 122.820 0.205 0.000 1.883 703 A HA -0.232 4.089 4.320 0.001 0.000 0.217 703 A C 2.135 179.868 177.584 0.248 0.000 1.186 703 A CA 1.624 53.761 52.037 0.167 0.000 0.624 703 A CB -1.835 17.214 19.000 0.082 0.000 0.822 703 A HN 0.161 nan 8.150 nan 0.000 0.444 704 F N 0.671 120.740 119.950 0.198 0.000 2.186 704 F HA -0.090 4.437 4.527 0.001 0.000 0.299 704 F C 2.127 178.020 175.800 0.155 0.000 1.090 704 F CA 1.895 60.013 58.000 0.196 0.000 1.307 704 F CB -0.158 39.011 39.000 0.281 0.000 1.019 704 F HN 0.133 nan 8.300 nan 0.000 0.489 705 K N -0.036 120.471 120.400 0.179 0.000 2.160 705 K HA -0.210 4.111 4.320 0.001 0.000 0.206 705 K C 2.122 178.736 176.600 0.023 0.000 1.047 705 K CA 1.586 57.924 56.287 0.086 0.000 0.930 705 K CB -0.237 32.306 32.500 0.072 0.000 0.720 705 K HN 0.305 nan 8.250 nan 0.000 0.450 706 R N 0.403 120.929 120.500 0.043 0.000 2.105 706 R HA -0.118 4.222 4.340 0.001 0.000 0.239 706 R C 2.296 178.537 176.300 -0.099 0.000 1.135 706 R CA 1.299 57.420 56.100 0.035 0.000 0.967 706 R CB -0.395 30.017 30.300 0.187 0.000 0.861 706 R HN 0.028 nan 8.270 nan 0.000 0.442 707 V N -0.010 119.797 119.914 -0.179 0.000 2.283 707 V HA -0.232 3.889 4.120 0.001 0.000 0.243 707 V C 2.031 177.985 176.094 -0.234 0.000 1.039 707 V CA 1.453 63.558 62.300 -0.325 0.000 1.016 707 V CB -0.659 30.903 31.823 -0.436 0.000 0.650 707 V HN 0.521 nan 8.190 nan 0.000 0.449 708 W N 0.975 121.943 121.300 -0.554 0.000 2.355 708 W HA -0.229 4.431 4.660 0.001 0.000 0.309 708 W C 2.411 178.862 176.519 -0.113 0.000 1.206 708 W CA 2.174 59.313 57.345 -0.344 0.000 1.284 708 W CB -0.286 28.954 29.460 -0.367 0.000 1.145 708 W HN 0.276 nan 8.180 nan 0.000 0.502 709 T N 0.010 114.542 114.554 -0.038 0.000 2.746 709 T HA -0.306 4.044 4.350 0.001 0.000 0.267 709 T C 1.329 175.860 174.700 -0.282 0.000 1.039 709 T CA 1.874 63.891 62.100 -0.138 0.000 1.142 709 T CB -0.924 67.917 68.868 -0.045 0.000 0.866 709 T HN 0.230 nan 8.240 nan 0.000 0.444 710 Y N 0.945 121.051 120.300 -0.323 0.000 2.165 710 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 710 Y C 2.019 177.689 175.900 -0.383 0.000 1.155 710 Y CA 1.079 58.959 58.100 -0.366 0.000 1.164 710 Y CB -0.534 37.695 38.460 -0.384 0.000 0.978 710 Y HN 0.237 nan 8.280 nan 0.000 0.513 711 F N 0.844 120.513 119.950 -0.467 0.000 2.075 711 F HA -0.260 4.268 4.527 0.001 0.000 0.297 711 F C 2.278 177.676 175.800 -0.670 0.000 1.113 711 F CA 2.099 59.747 58.000 -0.586 0.000 1.218 711 F CB -0.663 37.974 39.000 -0.606 0.000 0.984 711 F HN 0.063 nan 8.300 nan 0.000 0.472 712 Q N 0.216 119.541 119.800 -0.792 0.000 2.084 712 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 712 Q C 2.450 178.047 176.000 -0.670 0.000 0.978 712 Q CA 1.883 57.218 55.803 -0.779 0.000 0.844 712 Q CB -0.603 27.812 28.738 -0.537 0.000 0.898 712 Q HN 0.503 nan 8.270 nan 0.000 0.426 713 R N 0.010 120.071 120.500 -0.731 0.000 2.112 713 R HA 0.016 4.357 4.340 0.001 0.000 0.216 713 R C 1.896 177.797 176.300 -0.666 0.000 1.080 713 R CA 0.624 56.249 56.100 -0.792 0.000 0.996 713 R CB 0.484 30.123 30.300 -1.101 0.000 0.902 713 R HN 0.057 nan 8.270 nan 0.000 0.449 714 V N 0.398 119.835 119.914 -0.795 0.000 2.743 714 V HA -0.006 4.115 4.120 0.001 0.000 0.237 714 V C 2.127 177.762 176.094 -0.765 0.000 1.113 714 V CA 0.594 62.417 62.300 -0.794 0.000 1.141 714 V CB -0.111 31.019 31.823 -1.154 0.000 0.873 714 V HN 0.190 nan 8.190 nan 0.000 0.486 715 L N -0.073 120.601 121.223 -0.915 0.000 2.072 715 L HA -0.084 4.256 4.340 0.001 0.000 0.205 715 L C 2.498 178.601 176.870 -1.279 0.000 1.079 715 L CA 0.960 55.187 54.840 -1.021 0.000 0.752 715 L CB -0.673 40.866 42.059 -0.868 0.000 0.906 715 L HN 0.185 nan 8.230 nan 0.000 0.436 716 V N 0.511 119.784 119.914 -1.069 0.000 2.287 716 V HA -0.302 3.818 4.120 0.001 0.000 0.248 716 V C 2.643 178.498 176.094 -0.400 0.000 1.053 716 V CA 2.084 63.959 62.300 -0.709 0.000 1.027 716 V CB -0.517 30.947 31.823 -0.599 0.000 0.646 716 V HN 0.408 nan 8.190 nan 0.000 0.447 717 K N 1.195 121.363 120.400 -0.387 0.000 2.057 717 K HA -0.222 4.098 4.320 0.001 0.000 0.207 717 K C 2.102 178.588 176.600 -0.191 0.000 1.049 717 K CA 1.970 58.119 56.287 -0.229 0.000 0.931 717 K CB -0.486 31.876 32.500 -0.229 0.000 0.714 717 K HN 0.411 nan 8.250 nan 0.000 0.440 718 K N -1.082 119.139 120.400 -0.298 0.000 2.057 718 K HA -0.157 4.163 4.320 0.001 0.000 0.207 718 K C 1.821 178.422 176.600 0.002 0.000 1.049 718 K CA 1.367 57.547 56.287 -0.179 0.000 0.931 718 K CB -0.235 32.119 32.500 -0.244 0.000 0.714 718 K HN 0.110 nan 8.250 nan 0.000 0.440 719 Y N 0.444 120.711 120.300 -0.055 0.000 2.145 719 Y HA -0.110 4.440 4.550 0.001 0.000 0.286 719 Y C 2.458 178.356 175.900 -0.003 0.000 1.145 719 Y CA 0.687 58.784 58.100 -0.005 0.000 1.148 719 Y CB -1.202 37.267 38.460 0.015 0.000 0.981 719 Y HN 0.164 nan 8.280 nan 0.000 0.507 720 A N -0.678 122.224 122.820 0.136 0.000 1.908 720 A HA -0.226 4.095 4.320 0.001 0.000 0.218 720 A C 2.632 180.256 177.584 0.066 0.000 1.181 720 A CA 2.204 54.294 52.037 0.088 0.000 0.627 720 A CB -1.167 17.864 19.000 0.052 0.000 0.818 720 A HN 0.414 nan 8.150 nan 0.000 0.445 721 S N -0.470 115.253 115.700 0.038 0.000 2.368 721 S HA -0.185 4.285 4.470 0.001 0.000 0.224 721 S C 1.825 176.446 174.600 0.034 0.000 1.029 721 S CA 1.684 59.899 58.200 0.025 0.000 0.988 721 S CB -0.359 62.840 63.200 -0.003 0.000 0.838 721 S HN 0.662 nan 8.310 nan 0.000 0.462 722 E N -0.106 120.124 120.200 0.051 0.000 2.216 722 E HA 0.071 4.422 4.350 0.001 0.000 0.192 722 E C 1.932 178.542 176.600 0.017 0.000 0.988 722 E CA 0.537 56.956 56.400 0.031 0.000 0.834 722 E CB 0.086 29.824 29.700 0.063 0.000 0.772 722 E HN 0.436 nan 8.360 nan 0.000 0.479 723 R N 0.358 120.893 120.500 0.058 0.000 2.472 723 R HA 0.124 4.465 4.340 0.001 0.000 0.279 723 R C -0.104 176.258 176.300 0.103 0.000 0.953 723 R CA -0.110 56.031 56.100 0.069 0.000 1.088 723 R CB 0.412 30.750 30.300 0.063 0.000 1.197 723 R HN -0.031 nan 8.270 nan 0.000 0.536 724 N N 1.161 119.916 118.700 0.092 0.000 2.771 724 N HA -0.139 4.601 4.740 0.001 0.000 0.249 724 N C -0.598 174.966 175.510 0.090 0.000 1.069 724 N CA 1.215 54.322 53.050 0.096 0.000 0.688 724 N CB -1.221 37.340 38.487 0.124 0.000 0.928 724 N HN 0.566 nan 8.380 nan 0.000 0.551 725 G N -1.877 106.975 108.800 0.087 0.000 2.705 725 G HA2 0.214 4.175 3.960 0.001 0.000 0.686 725 G HA3 0.214 4.175 3.960 0.001 0.000 0.686 725 G C -0.372 174.592 174.900 0.105 0.000 1.285 725 G CA 0.033 45.189 45.100 0.093 0.000 0.800 725 G HN 1.536 nan 8.290 nan 0.000 0.611 726 V N -1.239 118.742 119.914 0.112 0.000 3.007 726 V HA 0.863 4.983 4.120 0.001 0.000 0.311 726 V C 0.006 176.165 176.094 0.109 0.000 1.120 726 V CA -0.891 61.480 62.300 0.117 0.000 0.980 726 V CB 2.142 34.042 31.823 0.128 0.000 1.033 726 V HN 1.259 nan 8.190 nan 0.000 0.429 727 N N 1.642 120.421 118.700 0.132 0.000 2.421 727 N HA 0.603 5.343 4.740 0.001 0.000 0.285 727 N C -1.423 174.115 175.510 0.048 0.000 1.027 727 N CA -0.249 52.867 53.050 0.110 0.000 0.918 727 N CB 2.013 40.624 38.487 0.207 0.000 1.152 727 N HN 0.674 nan 8.380 nan 0.000 0.485 728 V N 5.050 124.865 119.914 -0.164 0.000 2.487 728 V HA 0.510 4.630 4.120 0.001 0.000 0.298 728 V C 0.015 176.053 176.094 -0.095 0.000 1.028 728 V CA -0.681 61.484 62.300 -0.225 0.000 0.860 728 V CB 1.523 32.947 31.823 -0.665 0.000 0.991 728 V HN 0.547 nan 8.190 nan 0.000 0.427 729 I N 3.460 124.103 120.570 0.122 0.000 2.418 729 I HA 0.574 4.744 4.170 0.001 0.000 0.287 729 I C -0.058 176.240 176.117 0.303 0.000 1.008 729 I CA -0.009 61.458 61.300 0.278 0.000 1.104 729 I CB 1.976 40.147 38.000 0.285 0.000 1.264 729 I HN 0.552 nan 8.210 nan 0.000 0.438 730 S N 3.110 118.982 115.700 0.287 0.000 2.599 730 S HA 0.968 5.439 4.470 0.001 0.000 0.294 730 S C -0.108 174.352 174.600 -0.234 0.000 1.094 730 S CA -0.736 57.490 58.200 0.044 0.000 0.931 730 S CB 2.455 65.918 63.200 0.438 0.000 1.093 730 S HN 0.930 nan 8.310 nan 0.000 0.488 731 G N 1.078 109.423 108.800 -0.759 0.000 2.441 731 G HA2 0.597 4.558 3.960 0.001 0.000 0.294 731 G HA3 0.597 4.558 3.960 0.001 0.000 0.294 731 G C -3.581 171.204 174.900 -0.191 0.000 1.393 731 G CA -0.814 44.067 45.100 -0.365 0.000 0.796 731 G HN 0.449 nan 8.290 nan 0.000 0.494 732 P HA 0.673 nan 4.420 nan 0.000 0.282 732 P C -0.857 176.341 177.300 -0.169 0.000 1.259 732 P CA -0.510 62.374 63.100 -0.360 0.000 0.826 732 P CB 2.198 33.697 31.700 -0.336 0.000 1.064 733 I N 1.133 121.417 120.570 -0.477 0.000 2.582 733 I HA 0.353 4.523 4.170 0.001 0.000 0.292 733 I C -0.719 175.068 176.117 -0.550 0.000 1.066 733 I CA -0.844 60.303 61.300 -0.256 0.000 1.053 733 I CB 1.830 39.791 38.000 -0.065 0.000 1.241 733 I HN 0.164 nan 8.210 nan 0.000 0.421 734 F N 4.115 124.005 119.950 -0.099 0.000 2.366 734 F HA 0.320 4.847 4.527 0.001 0.000 0.366 734 F C -0.014 175.779 175.800 -0.012 0.000 1.096 734 F CA -0.527 57.444 58.000 -0.049 0.000 1.060 734 F CB 0.920 39.898 39.000 -0.035 0.000 1.282 734 F HN 0.279 nan 8.300 nan 0.000 0.450 735 D N 2.207 122.652 120.400 0.076 0.000 2.739 735 D HA 0.151 4.791 4.640 0.001 0.000 0.335 735 D C 0.493 176.824 176.300 0.052 0.000 1.216 735 D CA -0.238 53.807 54.000 0.075 0.000 0.808 735 D CB 0.000 40.823 40.800 0.038 0.000 1.121 735 D HN 0.386 nan 8.370 nan 0.000 0.499 736 Y N 0.602 120.958 120.300 0.093 0.000 2.352 736 Y HA -0.120 4.430 4.550 0.001 0.000 0.292 736 Y C 1.974 177.916 175.900 0.069 0.000 1.136 736 Y CA 1.154 59.306 58.100 0.087 0.000 1.227 736 Y CB 0.071 38.565 38.460 0.056 0.000 0.991 736 Y HN 0.286 nan 8.280 nan 0.000 0.545 737 N N -0.453 118.289 118.700 0.070 0.000 2.251 737 N HA -0.098 4.643 4.740 0.001 0.000 0.217 737 N C -0.215 174.912 175.510 -0.638 0.000 1.124 737 N CA 0.001 52.890 53.050 -0.268 0.000 0.843 737 N CB -1.498 36.849 38.487 -0.234 0.000 1.024 737 N HN 0.507 nan 8.380 nan 0.000 0.501 738 Y N -0.548 119.763 120.300 0.018 0.000 3.054 738 Y HA -0.326 4.225 4.550 0.001 0.000 0.210 738 Y C 0.009 175.897 175.900 -0.021 0.000 1.212 738 Y CA 0.357 58.452 58.100 -0.008 0.000 1.118 738 Y CB -3.103 35.344 38.460 -0.021 0.000 1.292 738 Y HN 0.331 nan 8.280 nan 0.000 0.533 739 N N 0.551 119.218 118.700 -0.056 0.000 2.236 739 N HA 0.307 5.048 4.740 0.001 0.000 0.196 739 N C 1.458 176.974 175.510 0.010 0.000 1.114 739 N CA 0.285 53.306 53.050 -0.048 0.000 0.859 739 N CB 0.462 38.887 38.487 -0.104 0.000 0.982 739 N HN 1.218 nan 8.380 nan 0.000 0.493 740 G N 0.008 108.828 108.800 0.033 0.000 2.162 740 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 740 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 740 G C -0.474 174.464 174.900 0.063 0.000 0.976 740 G CA 0.665 45.805 45.100 0.068 0.000 0.655 740 G HN 0.368 nan 8.290 nan 0.000 0.533 741 L N -0.560 120.675 121.223 0.020 0.000 2.354 741 L HA 0.568 4.909 4.340 0.001 0.000 0.269 741 L C 1.052 177.922 176.870 -0.001 0.000 1.005 741 L CA -1.338 53.510 54.840 0.013 0.000 0.819 741 L CB 1.651 43.697 42.059 -0.022 0.000 1.311 741 L HN 0.191 nan 8.230 nan 0.000 0.423 742 R N 1.512 122.002 120.500 -0.018 0.000 2.494 742 R HA -0.051 4.290 4.340 0.001 0.000 0.291 742 R C -0.815 175.442 176.300 -0.072 0.000 0.953 742 R CA -0.163 55.896 56.100 -0.068 0.000 1.098 742 R CB 0.209 30.404 30.300 -0.176 0.000 0.911 742 R HN 0.479 nan 8.270 nan 0.000 0.407 743 D N 4.679 125.068 120.400 -0.019 0.000 2.389 743 D HA 0.079 4.720 4.640 0.001 0.000 0.247 743 D C 0.732 176.997 176.300 -0.057 0.000 1.128 743 D CA -0.059 53.944 54.000 0.005 0.000 0.884 743 D CB 0.673 41.546 40.800 0.121 0.000 1.194 743 D HN 0.488 nan 8.370 nan 0.000 0.441 744 I N -1.471 119.084 120.570 -0.025 0.000 3.079 744 I HA 0.158 4.328 4.170 0.001 0.000 0.295 744 I C 1.217 177.372 176.117 0.064 0.000 1.094 744 I CA -0.613 60.693 61.300 0.010 0.000 1.295 744 I CB 0.819 38.822 38.000 0.006 0.000 1.443 744 I HN 0.291 nan 8.210 nan 0.000 0.607 745 E N 1.154 121.415 120.200 0.102 0.000 2.097 745 E HA -0.296 4.055 4.350 0.001 0.000 0.196 745 E C 1.338 177.966 176.600 0.046 0.000 1.000 745 E CA 2.304 58.753 56.400 0.082 0.000 0.804 745 E CB -0.174 29.521 29.700 -0.009 0.000 0.740 745 E HN 0.881 nan 8.360 nan 0.000 0.454 746 D N 0.472 120.888 120.400 0.027 0.000 2.263 746 D HA -0.155 4.486 4.640 0.001 0.000 0.208 746 D C 1.317 177.619 176.300 0.004 0.000 0.971 746 D CA 0.981 54.990 54.000 0.015 0.000 0.867 746 D CB 0.103 40.907 40.800 0.007 0.000 0.929 746 D HN 0.182 nan 8.370 nan 0.000 0.492 747 E N -0.721 119.483 120.200 0.006 0.000 2.447 747 E HA 0.138 4.489 4.350 0.001 0.000 0.195 747 E C 0.255 176.831 176.600 -0.040 0.000 1.028 747 E CA -0.190 56.212 56.400 0.004 0.000 0.876 747 E CB 0.559 30.277 29.700 0.029 0.000 0.885 747 E HN 0.394 nan 8.360 nan 0.000 0.500 748 I N 1.955 122.467 120.570 -0.097 0.000 2.496 748 I HA -0.002 4.169 4.170 0.001 0.000 0.285 748 I C 0.989 176.737 176.117 -0.616 0.000 1.080 748 I CA 0.180 61.256 61.300 -0.372 0.000 1.404 748 I CB 0.728 38.590 38.000 -0.230 0.000 1.403 748 I HN -0.157 nan 8.210 nan 0.000 0.539 749 K N 5.279 124.941 120.400 -1.230 0.000 2.413 749 K HA 0.226 4.547 4.320 0.001 0.000 0.204 749 K C -0.249 176.040 176.600 -0.519 0.000 1.041 749 K CA 0.078 55.966 56.287 -0.665 0.000 1.082 749 K CB 0.730 32.991 32.500 -0.399 0.000 0.871 749 K HN 0.604 nan 8.250 nan 0.000 0.535 750 Q N -0.036 119.317 119.800 -0.745 0.000 2.289 750 Q HA 0.375 4.715 4.340 0.001 0.000 0.270 750 Q C -1.675 174.026 176.000 -0.499 0.000 1.038 750 Q CA -0.640 54.971 55.803 -0.320 0.000 0.812 750 Q CB 1.463 30.213 28.738 0.019 0.000 1.300 750 Q HN -0.038 nan 8.270 nan 0.000 0.427 751 Y N 0.384 120.696 120.300 0.019 0.000 2.602 751 Y HA 0.498 5.049 4.550 0.001 0.000 0.342 751 Y C -0.139 175.758 175.900 -0.005 0.000 1.029 751 Y CA -1.082 57.030 58.100 0.020 0.000 1.080 751 Y CB 1.565 40.020 38.460 -0.008 0.000 1.284 751 Y HN 0.324 nan 8.280 nan 0.000 0.485 752 V N 1.320 121.304 119.914 0.116 0.000 2.673 752 V HA -0.069 4.051 4.120 0.001 0.000 0.303 752 V C 0.415 176.500 176.094 -0.015 0.000 1.046 752 V CA -0.445 61.834 62.300 -0.036 0.000 1.126 752 V CB 0.569 32.235 31.823 -0.261 0.000 0.934 752 V HN 0.782 nan 8.190 nan 0.000 0.487 753 E N 3.581 123.768 120.200 -0.022 0.000 2.652 753 E HA 0.116 4.466 4.350 0.001 0.000 0.255 753 E C 1.227 177.812 176.600 -0.024 0.000 0.952 753 E CA 0.803 57.203 56.400 -0.000 0.000 0.947 753 E CB -0.138 29.568 29.700 0.009 0.000 0.912 753 E HN 1.123 nan 8.360 nan 0.000 0.489 754 G N 3.079 111.870 108.800 -0.014 0.000 2.153 754 G HA2 -0.317 3.644 3.960 0.001 0.000 0.252 754 G HA3 -0.317 3.644 3.960 0.001 0.000 0.252 754 G C 0.065 174.936 174.900 -0.049 0.000 0.994 754 G CA 0.646 45.728 45.100 -0.030 0.000 0.698 754 G HN 1.033 nan 8.290 nan 0.000 0.521 755 S N -1.926 113.743 115.700 -0.051 0.000 2.732 755 S HA 0.793 5.264 4.470 0.001 0.000 0.293 755 S C 0.675 175.222 174.600 -0.089 0.000 1.159 755 S CA 0.643 58.807 58.200 -0.060 0.000 0.847 755 S CB 1.608 64.773 63.200 -0.058 0.000 1.169 755 S HN 1.430 nan 8.310 nan 0.000 0.501 756 S N -0.153 115.500 115.700 -0.079 0.000 2.574 756 S HA 0.391 4.861 4.470 0.001 0.000 0.242 756 S C 0.028 174.724 174.600 0.161 0.000 0.982 756 S CA -0.624 57.501 58.200 -0.125 0.000 0.977 756 S CB -0.976 62.115 63.200 -0.181 0.000 0.814 756 S HN 0.628 nan 8.310 nan 0.000 0.464 757 I N 4.382 125.065 120.570 0.189 0.000 2.406 757 I HA 0.251 4.422 4.170 0.001 0.000 0.293 757 I C -2.231 174.086 176.117 0.332 0.000 1.101 757 I CA -2.114 59.325 61.300 0.232 0.000 1.334 757 I CB 0.410 38.489 38.000 0.132 0.000 1.421 757 I HN 0.078 nan 8.210 nan 0.000 0.513 758 P HA 0.111 nan 4.420 nan 0.000 0.275 758 P C -0.502 176.999 177.300 0.336 0.000 1.227 758 P CA -0.176 63.038 63.100 0.189 0.000 0.781 758 P CB 1.422 33.221 31.700 0.164 0.000 0.906 759 V N 5.654 125.707 119.914 0.232 0.000 2.383 759 V HA 0.235 4.356 4.120 0.001 0.000 0.275 759 V C -1.999 174.193 176.094 0.163 0.000 1.036 759 V CA -1.944 60.482 62.300 0.210 0.000 0.889 759 V CB 0.836 32.734 31.823 0.125 0.000 0.985 759 V HN 0.527 nan 8.190 nan 0.000 0.459 760 P HA 0.136 nan 4.420 nan 0.000 0.271 760 P C 1.021 177.995 177.300 -0.544 0.000 1.216 760 P CA -0.066 62.441 63.100 -0.988 0.000 0.776 760 P CB 0.607 31.447 31.700 -1.434 0.000 0.881 761 T N -1.173 113.020 114.554 -0.603 0.000 3.043 761 T HA 0.013 4.363 4.350 0.001 0.000 0.263 761 T C 0.250 174.515 174.700 -0.725 0.000 1.094 761 T CA 0.991 62.744 62.100 -0.577 0.000 1.127 761 T CB -0.553 68.000 68.868 -0.525 0.000 0.905 761 T HN 0.453 nan 8.240 nan 0.000 0.490 762 H N -1.479 117.286 119.070 -0.508 0.000 3.017 762 H HA 0.597 5.154 4.556 0.001 0.000 0.346 762 H C -1.885 173.048 175.328 -0.659 0.000 1.286 762 H CA -1.006 54.803 56.048 -0.398 0.000 1.120 762 H CB 1.129 30.783 29.762 -0.181 0.000 1.860 762 H HN 0.135 nan 8.280 nan 0.000 0.542 763 Y N 0.917 121.129 120.300 -0.147 0.000 2.409 763 Y HA 0.319 4.869 4.550 0.001 0.000 0.343 763 Y C -0.692 175.270 175.900 0.103 0.000 0.973 763 Y CA -1.030 56.966 58.100 -0.173 0.000 1.064 763 Y CB 1.380 39.555 38.460 -0.475 0.000 1.207 763 Y HN 0.600 nan 8.280 nan 0.000 0.452 764 Y N -0.214 120.224 120.300 0.231 0.000 2.534 764 Y HA 0.842 5.392 4.550 0.001 0.000 0.329 764 Y C -0.501 175.608 175.900 0.349 0.000 1.154 764 Y CA -1.288 56.964 58.100 0.254 0.000 1.192 764 Y CB 1.852 40.413 38.460 0.168 0.000 1.275 764 Y HN 0.447 nan 8.280 nan 0.000 0.491 765 S N 2.133 118.126 115.700 0.488 0.000 2.546 765 S HA 0.662 5.133 4.470 0.001 0.000 0.272 765 S C -1.554 173.299 174.600 0.421 0.000 1.140 765 S CA -0.718 57.747 58.200 0.442 0.000 0.920 765 S CB 0.603 64.069 63.200 0.444 0.000 1.083 765 S HN 0.671 nan 8.310 nan 0.000 0.476 766 I N 4.835 125.590 120.570 0.308 0.000 2.389 766 I HA 0.489 4.660 4.170 0.001 0.000 0.288 766 I C -0.964 175.241 176.117 0.146 0.000 0.999 766 I CA -0.559 60.824 61.300 0.138 0.000 1.129 766 I CB 1.642 39.591 38.000 -0.085 0.000 1.288 766 I HN 0.515 nan 8.210 nan 0.000 0.444 767 I N 5.893 126.542 120.570 0.133 0.000 2.390 767 I HA 0.312 4.482 4.170 0.001 0.000 0.283 767 I C -0.291 175.871 176.117 0.075 0.000 1.016 767 I CA -0.121 61.256 61.300 0.128 0.000 1.151 767 I CB 1.502 39.596 38.000 0.157 0.000 1.293 767 I HN 0.477 nan 8.210 nan 0.000 0.458 768 T N 4.110 118.741 114.554 0.129 0.000 2.855 768 T HA 0.706 5.056 4.350 0.001 0.000 0.281 768 T C -0.035 174.754 174.700 0.149 0.000 1.007 768 T CA -0.686 61.489 62.100 0.124 0.000 1.009 768 T CB 1.771 70.756 68.868 0.196 0.000 0.983 768 T HN 0.699 nan 8.240 nan 0.000 0.455 769 S N 0.138 115.887 115.700 0.082 0.000 2.776 769 S HA 0.577 5.047 4.470 0.001 0.000 0.292 769 S C -0.699 173.938 174.600 0.062 0.000 1.187 769 S CA -0.958 57.300 58.200 0.097 0.000 0.834 769 S CB 0.835 64.079 63.200 0.074 0.000 1.199 769 S HN 0.845 nan 8.310 nan 0.000 0.514 770 c N 1.660 120.301 118.600 0.068 0.000 2.435 770 c HA 0.524 5.095 4.570 0.001 0.000 0.375 770 c C 1.948 176.044 174.090 0.010 0.000 1.281 770 c CA -0.606 55.744 56.329 0.035 0.000 1.963 770 c CB -0.626 41.908 42.510 0.040 0.000 2.490 770 c HN 0.869 nan 8.230 nan 0.000 0.557 771 L N 3.789 124.989 121.223 -0.038 0.000 2.043 771 L HA -0.019 4.322 4.340 0.001 0.000 0.212 771 L C 1.210 178.052 176.870 -0.047 0.000 1.075 771 L CA 1.950 56.761 54.840 -0.048 0.000 0.752 771 L CB -0.527 41.476 42.059 -0.093 0.000 0.891 771 L HN 0.816 nan 8.230 nan 0.000 0.432 772 D N -0.443 119.892 120.400 -0.108 0.000 2.383 772 D HA -0.058 4.583 4.640 0.001 0.000 0.245 772 D C 1.072 177.251 176.300 -0.202 0.000 1.263 772 D CA -0.288 53.566 54.000 -0.245 0.000 0.936 772 D CB 0.023 40.708 40.800 -0.191 0.000 1.053 772 D HN 0.304 nan 8.370 nan 0.000 0.507 773 F N 1.299 121.246 119.950 -0.006 0.000 2.722 773 F HA 0.018 4.545 4.527 0.001 0.000 0.298 773 F C 1.967 177.774 175.800 0.011 0.000 1.175 773 F CA 0.568 58.570 58.000 0.003 0.000 1.462 773 F CB -1.264 37.739 39.000 0.005 0.000 1.111 773 F HN 0.254 nan 8.300 nan 0.000 0.592 774 T N -2.802 111.689 114.554 -0.105 0.000 3.067 774 T HA 0.043 4.394 4.350 0.001 0.000 0.261 774 T C 0.651 175.359 174.700 0.014 0.000 1.110 774 T CA 0.119 62.217 62.100 -0.004 0.000 1.113 774 T CB -0.331 68.485 68.868 -0.086 0.000 0.917 774 T HN 0.473 nan 8.240 nan 0.000 0.499 775 Q N 2.726 122.523 119.800 -0.004 0.000 2.257 775 Q HA 0.393 4.733 4.340 0.001 0.000 0.255 775 Q C -2.661 173.367 176.000 0.047 0.000 0.920 775 Q CA -2.838 52.974 55.803 0.015 0.000 0.927 775 Q CB 1.456 30.192 28.738 -0.003 0.000 1.229 775 Q HN 0.253 nan 8.270 nan 0.000 0.433 776 P HA -0.089 nan 4.420 nan 0.000 0.268 776 P C -0.099 177.240 177.300 0.066 0.000 1.208 776 P CA 0.270 63.407 63.100 0.061 0.000 0.777 776 P CB 0.766 32.496 31.700 0.050 0.000 0.875 777 A N 2.976 125.845 122.820 0.082 0.000 1.948 777 A HA -0.228 4.092 4.320 0.001 0.000 0.220 777 A C 1.597 179.232 177.584 0.085 0.000 1.177 777 A CA 2.250 54.349 52.037 0.102 0.000 0.636 777 A CB -1.261 17.811 19.000 0.121 0.000 0.815 777 A HN 0.660 nan 8.150 nan 0.000 0.449 778 D N -0.898 119.533 120.400 0.052 0.000 2.347 778 D HA -0.021 4.620 4.640 0.001 0.000 0.213 778 D C 0.654 176.963 176.300 0.014 0.000 0.985 778 D CA 0.737 54.747 54.000 0.016 0.000 0.879 778 D CB -0.191 40.609 40.800 0.000 0.000 0.919 778 D HN 0.451 nan 8.370 nan 0.000 0.526 779 K N -0.002 120.415 120.400 0.028 0.000 3.202 779 K HA 0.242 4.562 4.320 0.001 0.000 0.206 779 K C -0.973 175.644 176.600 0.028 0.000 1.142 779 K CA -0.474 55.826 56.287 0.022 0.000 0.979 779 K CB 0.737 33.247 32.500 0.017 0.000 0.863 779 K HN 0.024 nan 8.250 nan 0.000 0.479 780 c N 1.344 119.971 118.600 0.044 0.000 2.347 780 c HA 0.243 4.814 4.570 0.001 0.000 0.353 780 c C 1.133 175.244 174.090 0.035 0.000 1.273 780 c CA -0.369 55.987 56.329 0.044 0.000 1.861 780 c CB 0.001 42.556 42.510 0.075 0.000 2.420 780 c HN 0.614 nan 8.230 nan 0.000 0.542 781 D N 2.596 123.004 120.400 0.013 0.000 2.327 781 D HA 0.168 4.809 4.640 0.001 0.000 0.205 781 D C 1.108 177.408 176.300 0.001 0.000 0.989 781 D CA 0.812 54.816 54.000 0.007 0.000 0.873 781 D CB 0.632 41.429 40.800 -0.004 0.000 0.955 781 D HN 0.821 nan 8.370 nan 0.000 0.515 782 G N 0.359 109.153 108.800 -0.010 0.000 3.264 782 G HA2 0.440 4.401 3.960 0.001 0.000 0.168 782 G HA3 0.440 4.401 3.960 0.001 0.000 0.168 782 G C -2.575 172.302 174.900 -0.039 0.000 1.145 782 G CA -0.681 44.403 45.100 -0.026 0.000 0.855 782 G HN -0.131 nan 8.290 nan 0.000 0.629 783 P HA 0.296 nan 4.420 nan 0.000 0.268 783 P C -0.432 176.799 177.300 -0.115 0.000 1.208 783 P CA 0.037 63.075 63.100 -0.104 0.000 0.777 783 P CB 0.608 32.239 31.700 -0.116 0.000 0.875 784 L N 0.659 121.776 121.223 -0.177 0.000 2.375 784 L HA 0.552 4.893 4.340 0.001 0.000 0.268 784 L C 0.677 177.408 176.870 -0.231 0.000 1.058 784 L CA -0.538 54.183 54.840 -0.198 0.000 0.803 784 L CB 1.339 43.200 42.059 -0.329 0.000 1.212 784 L HN 0.308 nan 8.230 nan 0.000 0.451 785 S N 0.785 116.370 115.700 -0.192 0.000 2.473 785 S HA 0.684 5.154 4.470 0.001 0.000 0.307 785 S C -1.167 173.305 174.600 -0.213 0.000 1.094 785 S CA -0.531 57.528 58.200 -0.234 0.000 1.070 785 S CB 1.680 64.786 63.200 -0.156 0.000 1.019 785 S HN 0.379 nan 8.310 nan 0.000 0.480 786 V N 4.381 124.138 119.914 -0.261 0.000 2.841 786 V HA 0.897 5.018 4.120 0.001 0.000 0.310 786 V C -0.841 175.200 176.094 -0.088 0.000 1.090 786 V CA -0.234 61.986 62.300 -0.133 0.000 0.930 786 V CB 2.341 34.120 31.823 -0.072 0.000 1.014 786 V HN 1.119 nan 8.190 nan 0.000 0.425 787 S N 3.984 119.617 115.700 -0.112 0.000 2.569 787 S HA 0.919 5.389 4.470 0.001 0.000 0.280 787 S C -0.803 173.681 174.600 -0.193 0.000 1.111 787 S CA -0.634 57.468 58.200 -0.163 0.000 0.887 787 S CB 2.124 65.115 63.200 -0.349 0.000 1.095 787 S HN 0.852 nan 8.310 nan 0.000 0.476 788 S N 0.360 115.854 115.700 -0.342 0.000 2.618 788 S HA 0.862 5.333 4.470 0.001 0.000 0.277 788 S C -1.692 172.561 174.600 -0.579 0.000 1.138 788 S CA -0.700 57.337 58.200 -0.272 0.000 0.844 788 S CB 0.836 63.999 63.200 -0.061 0.000 1.127 788 S HN 0.667 nan 8.310 nan 0.000 0.474 789 F N 0.410 120.470 119.950 0.185 0.000 2.613 789 F HA 0.628 5.156 4.527 0.001 0.000 0.310 789 F C -0.649 175.272 175.800 0.202 0.000 1.085 789 F CA -0.809 57.301 58.000 0.184 0.000 0.945 789 F CB 1.321 40.409 39.000 0.146 0.000 1.298 789 F HN 0.298 nan 8.300 nan 0.000 0.455 790 I N 3.843 124.640 120.570 0.379 0.000 2.495 790 I HA 0.293 4.464 4.170 0.001 0.000 0.277 790 I C -1.146 175.165 176.117 0.323 0.000 1.045 790 I CA -0.236 61.241 61.300 0.295 0.000 1.135 790 I CB 0.903 38.976 38.000 0.122 0.000 1.241 790 I HN 0.321 nan 8.210 nan 0.000 0.469 791 L N 7.724 129.144 121.223 0.329 0.000 2.305 791 L HA 0.431 4.772 4.340 0.001 0.000 0.281 791 L C -2.111 174.889 176.870 0.218 0.000 1.085 791 L CA -1.811 53.186 54.840 0.261 0.000 0.813 791 L CB 0.528 42.821 42.059 0.390 0.000 1.157 791 L HN 0.245 nan 8.230 nan 0.000 0.436 792 P HA -0.011 nan 4.420 nan 0.000 0.276 792 P C -0.943 176.280 177.300 -0.128 0.000 1.235 792 P CA 0.005 62.991 63.100 -0.190 0.000 0.772 792 P CB 0.467 32.040 31.700 -0.211 0.000 0.871 793 H N 4.981 123.750 119.070 -0.503 0.000 2.872 793 H HA 0.281 4.837 4.556 0.001 0.000 0.273 793 H C -0.316 174.904 175.328 -0.180 0.000 1.205 793 H CA -0.541 55.195 56.048 -0.521 0.000 1.342 793 H CB 0.226 29.602 29.762 -0.644 0.000 1.469 793 H HN 0.304 nan 8.280 nan 0.000 0.487 794 R N 4.483 124.960 120.500 -0.040 0.000 2.803 794 R HA 0.206 4.547 4.340 0.001 0.000 0.276 794 R C -1.848 174.315 176.300 -0.228 0.000 0.978 794 R CA -1.970 54.021 56.100 -0.181 0.000 0.939 794 R CB 1.662 31.813 30.300 -0.249 0.000 1.179 794 R HN 0.501 nan 8.270 nan 0.000 0.472 795 P HA -0.092 nan 4.420 nan 0.000 0.233 795 P C -0.798 176.266 177.300 -0.393 0.000 1.167 795 P CA 1.106 63.625 63.100 -0.969 0.000 0.770 795 P CB 0.150 31.252 31.700 -0.997 0.000 0.837 796 D N -2.379 117.871 120.400 -0.251 0.000 2.579 796 D HA 0.185 4.825 4.640 0.001 0.000 0.257 796 D C -0.118 176.102 176.300 -0.133 0.000 1.176 796 D CA -0.880 53.019 54.000 -0.168 0.000 0.914 796 D CB -0.103 40.590 40.800 -0.178 0.000 1.431 796 D HN -0.351 nan 8.370 nan 0.000 0.454 797 N N 0.071 118.678 118.700 -0.154 0.000 2.453 797 N HA 0.080 4.820 4.740 0.001 0.000 0.270 797 N C -0.334 175.031 175.510 -0.242 0.000 1.195 797 N CA -0.045 52.889 53.050 -0.192 0.000 0.902 797 N CB 0.480 38.774 38.487 -0.322 0.000 1.186 797 N HN 0.357 nan 8.380 nan 0.000 0.510 798 D N 0.853 121.128 120.400 -0.208 0.000 2.221 798 D HA -0.187 4.453 4.640 0.001 0.000 0.204 798 D C 1.629 177.798 176.300 -0.218 0.000 0.982 798 D CA 0.932 54.807 54.000 -0.208 0.000 0.857 798 D CB 0.240 40.932 40.800 -0.180 0.000 0.934 798 D HN 0.517 nan 8.370 nan 0.000 0.475 799 E N 0.056 120.132 120.200 -0.207 0.000 2.204 799 E HA -0.077 4.273 4.350 0.001 0.000 0.195 799 E C -0.140 176.375 176.600 -0.142 0.000 0.990 799 E CA 0.539 56.822 56.400 -0.196 0.000 0.821 799 E CB 0.248 29.887 29.700 -0.103 0.000 0.750 799 E HN -0.037 nan 8.360 nan 0.000 0.477 800 S N 0.120 115.720 115.700 -0.167 0.000 2.434 800 S HA 0.126 4.596 4.470 0.001 0.000 0.318 800 S C 0.437 174.870 174.600 -0.278 0.000 1.062 800 S CA -0.790 57.307 58.200 -0.172 0.000 1.116 800 S CB 1.157 64.249 63.200 -0.180 0.000 0.977 800 S HN 0.300 nan 8.310 nan 0.000 0.480 801 c N 2.780 121.257 118.600 -0.205 0.000 2.422 801 c HA -0.051 4.519 4.570 0.001 0.000 0.286 801 c C 1.823 175.769 174.090 -0.241 0.000 1.412 801 c CA 0.571 56.771 56.329 -0.216 0.000 1.786 801 c CB -1.510 40.890 42.510 -0.183 0.000 1.835 801 c HN 0.831 nan 8.230 nan 0.000 0.533 802 N N 0.381 118.927 118.700 -0.257 0.000 2.235 802 N HA -0.022 4.719 4.740 0.001 0.000 0.209 802 N C 1.493 176.673 175.510 -0.550 0.000 1.122 802 N CA 0.308 53.203 53.050 -0.259 0.000 0.845 802 N CB 0.137 38.572 38.487 -0.087 0.000 1.004 802 N HN 0.543 nan 8.380 nan 0.000 0.499 803 S N -0.196 114.944 115.700 -0.934 0.000 2.500 803 S HA -0.153 4.318 4.470 0.001 0.000 0.239 803 S C 1.962 176.056 174.600 -0.843 0.000 0.989 803 S CA 1.002 58.137 58.200 -1.775 0.000 0.951 803 S CB -0.353 61.797 63.200 -1.749 0.000 0.759 803 S HN 0.338 nan 8.310 nan 0.000 0.523 804 S N 0.901 116.328 115.700 -0.454 0.000 2.453 804 S HA 0.009 4.480 4.470 0.001 0.000 0.231 804 S C 0.649 175.180 174.600 -0.115 0.000 1.005 804 S CA -0.069 57.993 58.200 -0.230 0.000 0.949 804 S CB -0.457 62.641 63.200 -0.171 0.000 0.774 804 S HN 0.711 nan 8.310 nan 0.000 0.510 805 E N 1.433 121.576 120.200 -0.095 0.000 2.405 805 E HA 0.241 4.591 4.350 0.001 0.000 0.253 805 E C -0.530 176.179 176.600 0.182 0.000 1.257 805 E CA -0.548 55.876 56.400 0.040 0.000 0.960 805 E CB 0.169 29.902 29.700 0.055 0.000 1.077 805 E HN 0.329 nan 8.360 nan 0.000 0.512 806 D N -0.016 120.454 120.400 0.117 0.000 2.449 806 D HA -0.073 4.567 4.640 0.001 0.000 0.236 806 D C 0.431 176.733 176.300 0.003 0.000 1.149 806 D CA 0.283 54.324 54.000 0.068 0.000 0.878 806 D CB 0.737 41.532 40.800 -0.008 0.000 1.198 806 D HN 0.264 nan 8.370 nan 0.000 0.446 807 E N 0.594 120.648 120.200 -0.244 0.000 2.160 807 E HA -0.185 4.165 4.350 0.001 0.000 0.195 807 E C 1.929 177.786 176.600 -1.239 0.000 0.991 807 E CA 1.396 57.212 56.400 -0.974 0.000 0.810 807 E CB -0.177 28.933 29.700 -0.984 0.000 0.742 807 E HN 0.535 nan 8.360 nan 0.000 0.466 808 S N 0.107 115.351 115.700 -0.759 0.000 2.469 808 S HA -0.108 4.363 4.470 0.001 0.000 0.238 808 S C 1.487 175.911 174.600 -0.292 0.000 0.998 808 S CA 0.734 58.648 58.200 -0.477 0.000 0.957 808 S CB -0.011 63.118 63.200 -0.117 0.000 0.764 808 S HN 0.029 nan 8.310 nan 0.000 0.514 809 K N 0.299 120.571 120.400 -0.213 0.000 2.367 809 K HA 0.157 4.478 4.320 0.001 0.000 0.194 809 K C 1.138 177.782 176.600 0.075 0.000 1.027 809 K CA 0.456 56.732 56.287 -0.019 0.000 1.075 809 K CB 0.068 32.619 32.500 0.086 0.000 0.845 809 K HN 0.908 nan 8.250 nan 0.000 0.529 810 W N -2.295 118.886 121.300 -0.198 0.000 1.607 810 W HA 0.138 4.799 4.660 0.001 0.000 0.182 810 W C 0.732 177.152 176.519 -0.165 0.000 0.797 810 W CA -0.117 57.134 57.345 -0.157 0.000 0.869 810 W CB -0.562 28.815 29.460 -0.139 0.000 0.804 810 W HN -0.276 nan 8.180 nan 0.000 0.549 811 V N 2.558 121.898 119.914 -0.956 0.000 2.307 811 V HA -0.254 3.867 4.120 0.001 0.000 0.245 811 V C 2.409 178.318 176.094 -0.307 0.000 1.045 811 V CA 2.689 64.506 62.300 -0.805 0.000 1.024 811 V CB -0.622 30.590 31.823 -1.018 0.000 0.651 811 V HN 0.092 nan 8.190 nan 0.000 0.449 812 E N -0.288 119.776 120.200 -0.226 0.000 2.110 812 E HA -0.283 4.068 4.350 0.001 0.000 0.193 812 E C 2.254 178.810 176.600 -0.073 0.000 0.988 812 E CA 1.385 57.729 56.400 -0.093 0.000 0.804 812 E CB -0.079 29.610 29.700 -0.018 0.000 0.745 812 E HN 0.704 nan 8.360 nan 0.000 0.458 813 E N 0.772 120.948 120.200 -0.039 0.000 2.077 813 E HA -0.224 4.127 4.350 0.001 0.000 0.193 813 E C 2.196 178.825 176.600 0.047 0.000 0.989 813 E CA 0.765 57.170 56.400 0.008 0.000 0.800 813 E CB -0.010 29.717 29.700 0.045 0.000 0.746 813 E HN 0.119 nan 8.360 nan 0.000 0.452 814 L N 0.540 121.816 121.223 0.089 0.000 2.017 814 L HA -0.162 4.179 4.340 0.001 0.000 0.208 814 L C 2.307 179.289 176.870 0.186 0.000 1.073 814 L CA 1.805 56.751 54.840 0.177 0.000 0.745 814 L CB -0.313 41.870 42.059 0.206 0.000 0.894 814 L HN 0.239 nan 8.230 nan 0.000 0.432 815 M N -0.866 118.756 119.600 0.037 0.000 2.117 815 M HA -0.215 4.266 4.480 0.001 0.000 0.262 815 M C 2.193 178.602 176.300 0.182 0.000 1.065 815 M CA 1.759 57.061 55.300 0.003 0.000 1.114 815 M CB -0.387 31.988 32.600 -0.375 0.000 1.361 815 M HN 0.152 nan 8.290 nan 0.000 0.408 816 K N -0.026 120.366 120.400 -0.014 0.000 2.103 816 K HA -0.187 4.134 4.320 0.001 0.000 0.207 816 K C 1.890 178.515 176.600 0.042 0.000 1.048 816 K CA 1.453 57.642 56.287 -0.164 0.000 0.930 816 K CB -0.305 31.988 32.500 -0.344 0.000 0.716 816 K HN 0.191 nan 8.250 nan 0.000 0.444 817 M N 0.309 119.935 119.600 0.044 0.000 2.374 817 M HA -0.108 4.373 4.480 0.001 0.000 0.264 817 M C 0.837 177.010 176.300 -0.211 0.000 1.067 817 M CA 1.715 56.971 55.300 -0.073 0.000 1.103 817 M CB 0.101 32.655 32.600 -0.076 0.000 1.402 817 M HN 0.108 nan 8.290 nan 0.000 0.444 818 H N -0.804 118.364 119.070 0.163 0.000 2.486 818 H HA 0.215 4.772 4.556 0.001 0.000 0.284 818 H C 0.197 175.684 175.328 0.266 0.000 1.103 818 H CA 0.028 56.190 56.048 0.190 0.000 1.089 818 H CB -0.281 29.609 29.762 0.214 0.000 1.603 818 H HN 0.234 nan 8.280 nan 0.000 0.557 819 T N 1.081 115.819 114.554 0.307 0.000 2.908 819 T HA 0.343 4.693 4.350 0.001 0.000 0.325 819 T C 0.180 174.920 174.700 0.066 0.000 1.092 819 T CA 0.085 62.284 62.100 0.164 0.000 1.125 819 T CB 0.374 69.378 68.868 0.227 0.000 1.016 819 T HN 0.514 nan 8.240 nan 0.000 0.550 820 A N 3.692 126.502 122.820 -0.017 0.000 2.609 820 A HA 0.711 5.032 4.320 0.001 0.000 0.291 820 A C -0.755 176.819 177.584 -0.017 0.000 1.096 820 A CA -0.977 51.061 52.037 0.002 0.000 0.684 820 A CB 1.320 20.343 19.000 0.040 0.000 1.282 820 A HN 0.854 nan 8.150 nan 0.000 0.412 821 R N 0.192 120.704 120.500 0.020 0.000 2.459 821 R HA 0.429 4.770 4.340 0.001 0.000 0.281 821 R C 0.794 177.108 176.300 0.022 0.000 1.050 821 R CA -0.650 55.470 56.100 0.033 0.000 1.055 821 R CB 1.129 31.472 30.300 0.072 0.000 1.045 821 R HN 0.411 nan 8.270 nan 0.000 0.495 822 V N 2.144 122.074 119.914 0.027 0.000 2.392 822 V HA -0.265 3.855 4.120 0.001 0.000 0.249 822 V C 2.388 178.488 176.094 0.009 0.000 1.059 822 V CA 1.924 64.216 62.300 -0.013 0.000 1.051 822 V CB -0.572 31.286 31.823 0.059 0.000 0.658 822 V HN 0.649 nan 8.190 nan 0.000 0.455 823 R N 0.707 121.218 120.500 0.018 0.000 2.091 823 R HA -0.170 4.171 4.340 0.001 0.000 0.238 823 R C 1.931 178.123 176.300 -0.180 0.000 1.136 823 R CA 1.870 57.921 56.100 -0.082 0.000 0.959 823 R CB -0.741 29.530 30.300 -0.048 0.000 0.856 823 R HN 0.551 nan 8.270 nan 0.000 0.437 824 D N -0.062 120.344 120.400 0.010 0.000 2.123 824 D HA -0.183 4.458 4.640 0.001 0.000 0.196 824 D C 1.898 178.225 176.300 0.045 0.000 0.992 824 D CA 1.675 55.749 54.000 0.123 0.000 0.833 824 D CB -0.157 40.724 40.800 0.135 0.000 0.954 824 D HN 0.341 nan 8.370 nan 0.000 0.455 825 I N 1.052 121.608 120.570 -0.025 0.000 2.315 825 I HA -0.190 3.980 4.170 0.001 0.000 0.248 825 I C 2.296 178.399 176.117 -0.024 0.000 1.117 825 I CA 0.874 62.117 61.300 -0.095 0.000 1.404 825 I CB -0.155 37.692 38.000 -0.254 0.000 1.071 825 I HN -0.034 nan 8.210 nan 0.000 0.419 826 E N 0.144 120.362 120.200 0.031 0.000 2.051 826 E HA -0.247 4.104 4.350 0.001 0.000 0.192 826 E C 2.062 178.684 176.600 0.036 0.000 0.991 826 E CA 1.459 57.884 56.400 0.042 0.000 0.799 826 E CB -0.252 29.453 29.700 0.008 0.000 0.748 826 E HN 0.647 nan 8.360 nan 0.000 0.449 827 H N 0.221 119.331 119.070 0.067 0.000 2.352 827 H HA -0.097 4.460 4.556 0.001 0.000 0.299 827 H C 2.077 177.416 175.328 0.018 0.000 1.097 827 H CA 0.869 56.947 56.048 0.051 0.000 1.311 827 H CB 0.046 29.856 29.762 0.080 0.000 1.377 827 H HN 0.070 nan 8.280 nan 0.000 0.504 828 L N 0.176 121.475 121.223 0.128 0.000 2.478 828 L HA -0.043 4.297 4.340 0.001 0.000 0.223 828 L C 2.000 178.878 176.870 0.013 0.000 1.140 828 L CA 1.177 56.044 54.840 0.045 0.000 0.842 828 L CB 0.136 42.192 42.059 -0.006 0.000 0.953 828 L HN 0.465 nan 8.230 nan 0.000 0.452 829 T N -6.127 108.437 114.554 0.015 0.000 2.958 829 T HA 0.220 4.571 4.350 0.001 0.000 0.256 829 T C 1.428 176.158 174.700 0.050 0.000 0.983 829 T CA 0.447 62.563 62.100 0.027 0.000 0.924 829 T CB 0.725 69.614 68.868 0.035 0.000 1.136 829 T HN 0.218 nan 8.240 nan 0.000 0.506 830 G N 1.859 110.690 108.800 0.051 0.000 2.225 830 G HA2 -0.201 3.759 3.960 0.001 0.000 0.267 830 G HA3 -0.201 3.759 3.960 0.001 0.000 0.267 830 G C -0.139 174.836 174.900 0.125 0.000 1.024 830 G CA 0.583 45.758 45.100 0.126 0.000 0.784 830 G HN 0.674 nan 8.290 nan 0.000 0.507 831 L N -0.784 120.415 121.223 -0.040 0.000 2.334 831 L HA 0.727 5.068 4.340 0.001 0.000 0.270 831 L C -0.243 176.369 176.870 -0.429 0.000 1.018 831 L CA -1.009 53.659 54.840 -0.287 0.000 0.811 831 L CB 1.844 43.597 42.059 -0.510 0.000 1.271 831 L HN 0.128 nan 8.230 nan 0.000 0.443 832 D N 0.347 120.440 120.400 -0.511 0.000 2.505 832 D HA 0.466 5.106 4.640 0.001 0.000 0.250 832 D C -0.990 175.049 176.300 -0.436 0.000 1.164 832 D CA -0.244 53.557 54.000 -0.332 0.000 0.870 832 D CB 0.941 41.678 40.800 -0.105 0.000 1.160 832 D HN 0.068 nan 8.370 nan 0.000 0.549 833 F N 2.242 122.148 119.950 -0.074 0.000 2.375 833 F HA 0.326 4.853 4.527 0.001 0.000 0.317 833 F C 0.356 176.124 175.800 -0.053 0.000 1.124 833 F CA -0.652 57.224 58.000 -0.207 0.000 1.050 833 F CB 0.486 39.224 39.000 -0.435 0.000 1.314 833 F HN 0.296 nan 8.300 nan 0.000 0.511 834 Y N -0.617 119.827 120.300 0.240 0.000 3.305 834 Y HA -0.247 4.304 4.550 0.002 0.000 0.212 834 Y C 1.313 177.285 175.900 0.119 0.000 1.248 834 Y CA -0.161 58.032 58.100 0.154 0.000 1.359 834 Y CB -1.957 36.535 38.460 0.054 0.000 1.407 834 Y HN 0.466 nan 8.280 nan 0.000 0.572 835 R N 0.133 120.738 120.500 0.175 0.000 2.153 835 R HA 0.033 4.374 4.340 0.001 0.000 0.218 835 R C 0.334 176.683 176.300 0.082 0.000 1.072 835 R CA 0.817 56.966 56.100 0.081 0.000 0.990 835 R CB 0.133 30.441 30.300 0.013 0.000 0.889 835 R HN 0.003 nan 8.270 nan 0.000 0.452 836 K N 1.742 122.221 120.400 0.133 0.000 2.478 836 K HA 0.186 4.507 4.320 0.001 0.000 0.236 836 K C -0.392 176.313 176.600 0.174 0.000 1.021 836 K CA -0.064 56.294 56.287 0.118 0.000 1.010 836 K CB 1.516 34.072 32.500 0.093 0.000 1.331 836 K HN 0.114 nan 8.250 nan 0.000 0.470 837 T N -2.932 111.713 114.554 0.151 0.000 2.812 837 T HA 0.273 4.624 4.350 0.001 0.000 0.294 837 T C 0.771 175.528 174.700 0.095 0.000 1.159 837 T CA -0.667 61.531 62.100 0.163 0.000 1.008 837 T CB 1.309 70.279 68.868 0.170 0.000 1.289 837 T HN 0.156 nan 8.240 nan 0.000 0.514 838 S N -0.461 115.287 115.700 0.080 0.000 2.634 838 S HA 0.275 4.746 4.470 0.001 0.000 0.221 838 S C 0.560 175.179 174.600 0.032 0.000 0.952 838 S CA -0.737 57.492 58.200 0.048 0.000 0.930 838 S CB -0.357 62.867 63.200 0.040 0.000 0.780 838 S HN 0.593 nan 8.310 nan 0.000 0.498 839 R N 2.320 122.839 120.500 0.032 0.000 2.691 839 R HA 0.534 4.874 4.340 0.001 0.000 0.259 839 R C 0.495 176.818 176.300 0.038 0.000 1.048 839 R CA -0.479 55.629 56.100 0.014 0.000 1.086 839 R CB 0.426 30.713 30.300 -0.022 0.000 1.166 839 R HN 0.431 nan 8.270 nan 0.000 0.526 840 S N 0.031 115.751 115.700 0.034 0.000 2.593 840 S HA -0.008 4.462 4.470 0.001 0.000 0.269 840 S C 1.018 175.699 174.600 0.136 0.000 1.334 840 S CA -0.437 57.804 58.200 0.068 0.000 1.015 840 S CB 0.340 63.566 63.200 0.044 0.000 0.912 840 S HN 0.572 nan 8.310 nan 0.000 0.541 841 Y N 2.309 122.608 120.300 -0.000 0.000 2.181 841 Y HA -0.092 4.458 4.550 0.001 0.000 0.288 841 Y C 2.635 178.543 175.900 0.014 0.000 1.146 841 Y CA 1.595 59.703 58.100 0.012 0.000 1.164 841 Y CB -1.174 37.295 38.460 0.015 0.000 0.982 841 Y HN 0.776 nan 8.280 nan 0.000 0.515 842 S N 0.151 115.861 115.700 0.016 0.000 2.370 842 S HA -0.225 4.245 4.470 0.001 0.000 0.226 842 S C 1.850 176.414 174.600 -0.061 0.000 1.033 842 S CA 1.687 59.848 58.200 -0.065 0.000 1.011 842 S CB -0.262 62.935 63.200 -0.004 0.000 0.852 842 S HN 0.590 nan 8.310 nan 0.000 0.457 843 E N 0.435 120.610 120.200 -0.041 0.000 2.106 843 E HA -0.088 4.263 4.350 0.001 0.000 0.192 843 E C 1.915 178.452 176.600 -0.105 0.000 0.984 843 E CA 0.807 57.152 56.400 -0.090 0.000 0.806 843 E CB -0.132 29.519 29.700 -0.082 0.000 0.750 843 E HN 0.350 nan 8.360 nan 0.000 0.458 844 I N 1.188 121.729 120.570 -0.049 0.000 2.226 844 I HA -0.239 3.931 4.170 0.001 0.000 0.245 844 I C 2.358 178.443 176.117 -0.055 0.000 1.100 844 I CA 1.243 62.513 61.300 -0.051 0.000 1.374 844 I CB -0.957 37.117 38.000 0.124 0.000 1.057 844 I HN 0.186 nan 8.210 nan 0.000 0.413 845 L N 0.071 121.237 121.223 -0.095 0.000 2.012 845 L HA -0.249 4.092 4.340 0.001 0.000 0.210 845 L C 2.556 179.397 176.870 -0.049 0.000 1.073 845 L CA 1.704 56.478 54.840 -0.109 0.000 0.748 845 L CB -1.080 40.845 42.059 -0.223 0.000 0.891 845 L HN 0.240 nan 8.230 nan 0.000 0.431 846 T N 0.406 114.924 114.554 -0.060 0.000 2.635 846 T HA -0.260 4.091 4.350 0.001 0.000 0.267 846 T C 1.843 176.524 174.700 -0.031 0.000 1.040 846 T CA 1.725 63.799 62.100 -0.042 0.000 1.156 846 T CB -0.426 68.354 68.868 -0.146 0.000 0.863 846 T HN 0.148 nan 8.240 nan 0.000 0.430 847 L N 1.191 122.352 121.223 -0.102 0.000 2.043 847 L HA -0.110 4.231 4.340 0.001 0.000 0.212 847 L C 2.157 179.012 176.870 -0.025 0.000 1.075 847 L CA 1.860 56.618 54.840 -0.137 0.000 0.752 847 L CB -0.455 41.411 42.059 -0.321 0.000 0.891 847 L HN 0.134 nan 8.230 nan 0.000 0.432 848 K N -1.385 119.021 120.400 0.009 0.000 2.365 848 K HA -0.057 4.263 4.320 0.001 0.000 0.199 848 K C 1.656 178.308 176.600 0.088 0.000 1.045 848 K CA 1.407 57.748 56.287 0.089 0.000 0.962 848 K CB -0.186 32.387 32.500 0.122 0.000 0.759 848 K HN 0.632 nan 8.250 nan 0.000 0.469 849 T N -2.629 111.978 114.554 0.088 0.000 3.044 849 T HA -0.024 4.327 4.350 0.001 0.000 0.250 849 T C 0.521 175.296 174.700 0.124 0.000 1.081 849 T CA -0.439 61.721 62.100 0.100 0.000 1.040 849 T CB -0.318 68.606 68.868 0.094 0.000 0.962 849 T HN 0.085 nan 8.240 nan 0.000 0.506 850 Y N 1.982 122.290 120.300 0.014 0.000 2.702 850 Y HA 0.381 4.932 4.550 0.001 0.000 0.336 850 Y C -0.305 175.608 175.900 0.022 0.000 1.235 850 Y CA -1.298 56.808 58.100 0.011 0.000 1.492 850 Y CB 0.298 38.741 38.460 -0.030 0.000 1.308 850 Y HN 0.235 nan 8.280 nan 0.000 0.589 851 L N 6.940 127.692 121.223 -0.785 0.000 2.372 851 L HA 0.313 4.653 4.340 0.001 0.000 0.274 851 L C -1.648 174.688 176.870 -0.890 0.000 0.988 851 L CA -0.701 53.794 54.840 -0.576 0.000 0.833 851 L CB 0.970 42.886 42.059 -0.238 0.000 1.236 851 L HN 0.753 nan 8.230 nan 0.000 0.410 852 H N 2.157 120.818 119.070 -0.683 0.000 2.864 852 H HA 0.293 4.849 4.556 0.001 0.000 0.281 852 H C 1.006 176.094 175.328 -0.400 0.000 1.093 852 H CA 0.802 56.529 56.048 -0.536 0.000 1.453 852 H CB 0.978 30.503 29.762 -0.395 0.000 1.462 852 H HN 0.795 nan 8.280 nan 0.000 0.480 853 T N 0.810 115.048 114.554 -0.526 0.000 3.051 853 T HA -0.045 4.305 4.350 0.001 0.000 0.255 853 T C 0.463 175.142 174.700 -0.035 0.000 1.085 853 T CA 0.264 62.254 62.100 -0.182 0.000 1.109 853 T CB -0.231 68.570 68.868 -0.111 0.000 0.921 853 T HN 0.711 nan 8.240 nan 0.000 0.488 854 Y N 1.198 121.305 120.300 -0.322 0.000 4.409 854 Y HA -0.189 4.362 4.550 0.002 0.000 0.228 854 Y C 0.574 176.428 175.900 -0.077 0.000 1.108 854 Y CA 0.289 58.287 58.100 -0.169 0.000 1.955 854 Y CB -2.461 35.981 38.460 -0.030 0.000 1.615 854 Y HN 0.374 nan 8.280 nan 0.000 0.665 855 E N 0.000 120.201 120.200 0.001 0.000 2.725 855 E HA 0.000 4.351 4.350 0.001 0.000 0.291 855 E CA 0.000 56.407 56.400 0.012 0.000 0.976 855 E CB 0.000 29.686 29.700 -0.024 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440