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 3nkq_1_A DATA FIRST_RESID 51 DATA SEQUENCE WTNTSGScKG RcFELQEVGP PDcRcDNLcK SYSSccHDFD ELcLKTARGW DATA SEQUENCE EcTKDRcGEV RNEENAcHcS EDcLSRGDcc TNYQVVcKGE SHWVDDDcEE DATA SEQUENCE IRVPEcPAGF VRPPLIIFSV DGFRASYMKK GSKVMPNIEK LRScGTHAPY DATA SEQUENCE MRPVYPTKTF PNLYTLATGL YPESHGIVGN SMYDPVFDAT FHLRGREKFN DATA SEQUENCE HRWWGGQPLW ITATKQGVRA GTFFWSVSIP HERRILTILQ WLSLPDNERP DATA SEQUENCE SVYAFYSEQP DFSGHKYGPF GPEMTNPLRE IDKTVGQLMD GLKQLKLHRc DATA SEQUENCE VNVIFVGDHG MEDVTcDRTE FLSNYLTNVD DITLVPGTLG RIRPKIPNNL DATA SEQUENCE KYDPKAIIAN LTcKKPDQHF KPYMKQHLPK RLHYANNRRI EDLHLLVERR DATA SEQUENCE WHVARKPLXX XXXXXXXcFF QGDHGFDNKV NSMQTVFVGY GPTFKYRTKV DATA SEQUENCE PPFENIELYN VMCDLLGLKP APNNGTHGSL NHLLRTNTFR PTLPEEVSRP DATA SEQUENCE NYPGIMYLQS DFDLGcTcDD XXXXXXXXXX XXXXGSTEER HLLYGRPAVL DATA SEQUENCE YRTSYDILYH TDFESGYSEI FLMPLWTSYT ISKQAEVSSI PEHLTNcVRP DATA SEQUENCE DVRVSPGFSQ NcLAYKNDKQ MSYGFLFPPY LSSSPEAKYD AFLVTNMVPM DATA SEQUENCE YPAFKRVWTY FQRVLVKKYA SERNGVNVIS GPIFDYNYNG LRDIEDEIKQ DATA SEQUENCE YVEGSSIPVP THYYSIITSc LDFTQPADKc DGPLSVSSFI LPHRPDNDES DATA SEQUENCE cNSSEDESKW VEELMKMHTA RVRDIEHLTG LDFYRKTSRS YSEILTLKTY DATA SEQUENCE LHTYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 51 W HA 0.000 nan 4.660 nan 0.000 0.303 51 W C 0.000 176.505 176.519 -0.023 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 -0.013 0.000 1.126 52 T N 4.968 119.029 114.554 -0.821 0.000 2.779 52 T HA 0.190 4.541 4.350 0.001 0.000 0.280 52 T C -0.590 173.258 174.700 -1.420 0.000 0.987 52 T CA -0.517 61.060 62.100 -0.871 0.000 0.966 52 T CB 0.836 69.435 68.868 -0.450 0.000 0.933 52 T HN 0.340 nan 8.240 nan 0.000 0.442 53 N N 2.322 120.271 118.700 -1.251 0.000 2.508 53 N HA 0.089 4.830 4.740 0.001 0.000 0.253 53 N C 1.035 176.322 175.510 -0.372 0.000 1.145 53 N CA -0.004 52.474 53.050 -0.954 0.000 0.973 53 N CB 0.498 38.661 38.487 -0.539 0.000 1.305 53 N HN 0.440 nan 8.380 nan 0.000 0.506 54 T N 0.693 115.093 114.554 -0.256 0.000 3.113 54 T HA -0.037 4.314 4.350 0.001 0.000 0.263 54 T C 1.542 176.278 174.700 0.059 0.000 1.143 54 T CA 0.726 62.776 62.100 -0.084 0.000 1.090 54 T CB 0.087 68.933 68.868 -0.037 0.000 0.922 54 T HN 0.414 nan 8.240 nan 0.000 0.521 55 S N 0.649 116.379 115.700 0.051 0.000 2.423 55 S HA 0.087 4.558 4.470 0.001 0.000 0.231 55 S C 1.622 176.331 174.600 0.183 0.000 1.014 55 S CA 0.321 58.580 58.200 0.097 0.000 0.965 55 S CB -0.379 62.860 63.200 0.066 0.000 0.785 55 S HN 0.671 nan 8.310 nan 0.000 0.495 56 G N 0.852 109.717 108.800 0.109 0.000 2.661 56 G HA2 0.345 4.306 3.960 0.001 0.000 0.272 56 G HA3 0.345 4.306 3.960 0.001 0.000 0.272 56 G C -0.280 174.679 174.900 0.099 0.000 1.296 56 G CA -0.211 44.941 45.100 0.087 0.000 0.998 56 G HN 0.332 nan 8.290 nan 0.000 0.553 57 S N -2.526 113.189 115.700 0.026 0.000 2.542 57 S HA 0.301 4.772 4.470 0.001 0.000 0.293 57 S C 0.365 174.934 174.600 -0.052 0.000 1.089 57 S CA -0.772 57.395 58.200 -0.054 0.000 0.961 57 S CB 1.388 64.589 63.200 0.002 0.000 1.062 57 S HN 0.579 nan 8.310 nan 0.000 0.483 58 c N 3.240 121.796 118.600 -0.073 0.000 2.578 58 c HA 0.418 4.989 4.570 0.001 0.000 0.285 58 c C 1.372 175.456 174.090 -0.010 0.000 1.297 58 c CA -0.048 56.271 56.329 -0.017 0.000 1.690 58 c CB -2.042 40.486 42.510 0.030 0.000 1.773 58 c HN 0.932 nan 8.230 nan 0.000 0.594 59 K N 0.573 120.963 120.400 -0.017 0.000 2.473 59 K HA 0.343 4.664 4.320 0.001 0.000 0.277 59 K C 1.286 177.897 176.600 0.018 0.000 1.052 59 K CA 0.818 57.106 56.287 0.001 0.000 1.114 59 K CB -0.998 31.506 32.500 0.006 0.000 0.869 59 K HN 1.329 nan 8.250 nan 0.000 0.481 60 G N 1.963 110.780 108.800 0.028 0.000 2.258 60 G HA2 -0.310 3.651 3.960 0.001 0.000 0.274 60 G HA3 -0.310 3.651 3.960 0.001 0.000 0.274 60 G C 0.826 175.761 174.900 0.058 0.000 1.021 60 G CA 0.887 46.013 45.100 0.044 0.000 0.798 60 G HN 0.842 nan 8.290 nan 0.000 0.507 61 R N -1.637 118.898 120.500 0.059 0.000 2.531 61 R HA 0.189 4.530 4.340 0.001 0.000 0.316 61 R C 0.940 177.302 176.300 0.103 0.000 0.955 61 R CA -0.054 56.088 56.100 0.070 0.000 1.120 61 R CB 0.293 30.615 30.300 0.037 0.000 1.361 61 R HN 0.353 nan 8.270 nan 0.000 0.534 62 c N 2.364 121.029 118.600 0.109 0.000 2.523 62 c HA -0.006 4.565 4.570 0.001 0.000 0.406 62 c C 0.827 175.098 174.090 0.303 0.000 1.449 62 c CA 0.383 56.778 56.329 0.111 0.000 1.588 62 c CB -1.783 40.804 42.510 0.128 0.000 2.514 62 c HN 0.627 nan 8.230 nan 0.000 0.606 63 F N 0.786 120.917 119.950 0.302 0.000 3.048 63 F HA -0.213 4.316 4.527 0.002 0.000 0.269 63 F C 1.143 177.202 175.800 0.433 0.000 0.960 63 F CA 1.113 59.346 58.000 0.387 0.000 0.909 63 F CB -1.563 37.663 39.000 0.377 0.000 0.837 63 F HN 0.789 nan 8.300 nan 0.000 0.768 64 E N 0.248 120.649 120.200 0.334 0.000 2.415 64 E HA 0.202 4.553 4.350 0.001 0.000 0.262 64 E C 0.630 177.305 176.600 0.125 0.000 1.038 64 E CA -0.419 56.112 56.400 0.219 0.000 0.921 64 E CB 0.793 30.556 29.700 0.105 0.000 0.950 64 E HN 0.551 nan 8.360 nan 0.000 0.438 65 L N 0.938 122.160 121.223 -0.001 0.000 2.354 65 L HA -0.048 4.293 4.340 0.001 0.000 0.212 65 L C 1.173 177.972 176.870 -0.118 0.000 1.091 65 L CA 0.046 54.789 54.840 -0.161 0.000 0.828 65 L CB -0.376 41.487 42.059 -0.327 0.000 0.973 65 L HN 0.626 nan 8.230 nan 0.000 0.461 66 Q N 1.206 120.965 119.800 -0.069 0.000 2.283 66 Q HA 0.178 4.519 4.340 0.001 0.000 0.301 66 Q C 0.088 176.046 176.000 -0.070 0.000 1.063 66 Q CA 0.210 55.976 55.803 -0.062 0.000 0.952 66 Q CB -0.021 28.693 28.738 -0.039 0.000 1.166 66 Q HN 0.274 nan 8.270 nan 0.000 0.381 67 E N 2.662 122.816 120.200 -0.077 0.000 2.338 67 E HA 0.423 4.774 4.350 0.001 0.000 0.272 67 E C -0.875 175.672 176.600 -0.088 0.000 1.029 67 E CA -0.533 55.813 56.400 -0.088 0.000 0.872 67 E CB 1.347 30.998 29.700 -0.082 0.000 1.015 67 E HN 0.492 nan 8.360 nan 0.000 0.417 68 V N 2.622 122.469 119.914 -0.111 0.000 2.482 68 V HA 0.702 4.823 4.120 0.001 0.000 0.295 68 V C 0.677 176.687 176.094 -0.140 0.000 1.026 68 V CA -0.300 61.933 62.300 -0.111 0.000 0.856 68 V CB 1.720 33.478 31.823 -0.109 0.000 1.001 68 V HN 0.989 nan 8.190 nan 0.000 0.424 69 G N 4.957 113.685 108.800 -0.121 0.000 2.491 69 G HA2 0.724 4.685 3.960 0.001 0.000 0.327 69 G HA3 0.724 4.685 3.960 0.001 0.000 0.327 69 G C -2.865 171.962 174.900 -0.121 0.000 1.189 69 G CA -1.750 43.271 45.100 -0.131 0.000 0.956 69 G HN 0.518 nan 8.290 nan 0.000 0.491 70 P HA 0.104 nan 4.420 nan 0.000 0.269 70 P C -1.806 175.456 177.300 -0.065 0.000 1.211 70 P CA -0.624 62.407 63.100 -0.114 0.000 0.781 70 P CB 0.431 32.082 31.700 -0.081 0.000 0.877 71 P HA 0.034 nan 4.420 nan 0.000 0.240 71 P C -0.474 176.688 177.300 -0.230 0.000 1.190 71 P CA 0.679 63.713 63.100 -0.110 0.000 0.781 71 P CB 0.020 31.750 31.700 0.050 0.000 0.931 72 D N 0.689 120.999 120.400 -0.149 0.000 2.382 72 D HA 0.037 4.678 4.640 0.001 0.000 0.240 72 D C 0.590 176.778 176.300 -0.187 0.000 1.146 72 D CA -0.222 53.688 54.000 -0.151 0.000 0.897 72 D CB 0.478 41.223 40.800 -0.091 0.000 1.197 72 D HN 0.176 nan 8.370 nan 0.000 0.432 73 c N 0.886 119.380 118.600 -0.177 0.000 2.443 73 c HA 0.700 5.271 4.570 0.001 0.000 0.369 73 c C 0.464 174.458 174.090 -0.159 0.000 1.241 73 c CA -1.000 55.218 56.329 -0.184 0.000 2.413 73 c CB 0.157 42.573 42.510 -0.156 0.000 2.451 73 c HN 0.493 nan 8.230 nan 0.000 0.595 74 R N 0.801 121.184 120.500 -0.195 0.000 2.758 74 R HA 0.653 4.994 4.340 0.001 0.000 0.265 74 R C -0.592 175.564 176.300 -0.239 0.000 1.016 74 R CA -0.643 55.336 56.100 -0.203 0.000 1.040 74 R CB 1.107 31.264 30.300 -0.239 0.000 1.152 74 R HN 0.852 nan 8.270 nan 0.000 0.503 75 c N 0.238 118.720 118.600 -0.195 0.000 3.144 75 c HA 0.194 4.765 4.570 0.001 0.000 0.253 75 c C -0.193 173.803 174.090 -0.156 0.000 2.010 75 c CA -0.814 55.434 56.329 -0.135 0.000 1.698 75 c CB -1.141 41.403 42.510 0.056 0.000 3.346 75 c HN 0.830 nan 8.230 nan 0.000 0.449 76 D N -0.278 119.975 120.400 -0.245 0.000 2.588 76 D HA 0.137 4.777 4.640 0.001 0.000 0.268 76 D C 0.462 176.715 176.300 -0.079 0.000 1.176 76 D CA -0.455 53.500 54.000 -0.075 0.000 1.080 76 D CB 0.481 41.256 40.800 -0.042 0.000 1.186 76 D HN -0.081 nan 8.370 nan 0.000 0.619 77 N N -1.054 117.718 118.700 0.119 0.000 2.188 77 N HA -0.124 4.616 4.740 0.001 0.000 0.184 77 N C 1.811 177.351 175.510 0.050 0.000 1.018 77 N CA 1.364 54.507 53.050 0.154 0.000 0.858 77 N CB -0.296 38.237 38.487 0.077 0.000 0.989 77 N HN 0.520 nan 8.380 nan 0.000 0.426 78 L N 1.218 122.445 121.223 0.006 0.000 2.478 78 L HA -0.007 4.334 4.340 0.001 0.000 0.223 78 L C 2.990 179.907 176.870 0.079 0.000 1.140 78 L CA 1.512 56.416 54.840 0.106 0.000 0.842 78 L CB -2.161 39.973 42.059 0.125 0.000 0.953 78 L HN 0.554 nan 8.230 nan 0.000 0.452 79 c N -0.957 117.558 118.600 -0.142 0.000 2.473 79 c HA -0.150 4.421 4.570 0.001 0.000 0.279 79 c C 2.598 176.563 174.090 -0.208 0.000 1.250 79 c CA 1.120 57.301 56.329 -0.246 0.000 1.713 79 c CB -1.108 41.099 42.510 -0.506 0.000 2.066 79 c HN 0.646 nan 8.230 nan 0.000 0.474 80 K N 1.258 121.506 120.400 -0.253 0.000 2.089 80 K HA -0.191 4.130 4.320 0.001 0.000 0.210 80 K C 2.458 179.015 176.600 -0.071 0.000 1.048 80 K CA 1.910 58.132 56.287 -0.109 0.000 0.926 80 K CB -0.684 31.840 32.500 0.039 0.000 0.714 80 K HN 0.650 nan 8.250 nan 0.000 0.448 81 S N -0.348 115.313 115.700 -0.065 0.000 2.447 81 S HA -0.107 4.364 4.470 0.001 0.000 0.233 81 S C 1.289 175.654 174.600 -0.391 0.000 1.006 81 S CA 0.752 58.860 58.200 -0.154 0.000 0.957 81 S CB -0.018 63.136 63.200 -0.077 0.000 0.773 81 S HN 0.336 nan 8.310 nan 0.000 0.507 82 Y N 1.436 121.558 120.300 -0.297 0.000 2.481 82 Y HA 0.229 4.779 4.550 0.001 0.000 0.247 82 Y C 1.297 177.063 175.900 -0.224 0.000 1.151 82 Y CA 0.256 58.165 58.100 -0.318 0.000 1.238 82 Y CB 0.466 38.746 38.460 -0.300 0.000 1.179 82 Y HN 0.426 nan 8.280 nan 0.000 0.524 83 S N -0.153 115.507 115.700 -0.066 0.000 3.682 83 S HA -0.239 4.231 4.470 0.001 0.000 0.354 83 S C 0.506 175.053 174.600 -0.088 0.000 1.034 83 S CA 0.794 58.954 58.200 -0.068 0.000 1.084 83 S CB -2.092 61.076 63.200 -0.053 0.000 0.903 83 S HN 0.637 nan 8.310 nan 0.000 0.470 84 S N -2.514 113.113 115.700 -0.122 0.000 2.847 84 S HA 0.451 4.922 4.470 0.001 0.000 0.254 84 S C 0.690 175.162 174.600 -0.214 0.000 1.039 84 S CA 0.167 58.262 58.200 -0.175 0.000 1.113 84 S CB -0.387 62.700 63.200 -0.189 0.000 1.092 84 S HN 0.784 nan 8.310 nan 0.000 0.620 85 c N 2.418 120.882 118.600 -0.228 0.000 2.703 85 c HA 0.424 4.995 4.570 0.001 0.000 0.411 85 c C 1.471 175.476 174.090 -0.142 0.000 1.290 85 c CA -0.740 55.421 56.329 -0.281 0.000 2.054 85 c CB -0.826 41.484 42.510 -0.332 0.000 2.732 85 c HN 0.655 nan 8.230 nan 0.000 0.650 86 c N 3.369 121.906 118.600 -0.105 0.000 2.656 86 c HA 0.095 4.666 4.570 0.001 0.000 0.391 86 c C 2.189 176.263 174.090 -0.026 0.000 1.300 86 c CA -0.292 56.003 56.329 -0.057 0.000 2.302 86 c CB -0.109 42.352 42.510 -0.080 0.000 2.655 86 c HN 1.045 nan 8.230 nan 0.000 0.656 87 H N 1.161 120.242 119.070 0.018 0.000 2.518 87 H HA -0.092 4.465 4.556 0.002 0.000 0.289 87 H C 0.453 175.814 175.328 0.055 0.000 1.051 87 H CA 1.794 57.862 56.048 0.033 0.000 1.280 87 H CB -0.330 29.445 29.762 0.022 0.000 1.380 87 H HN 0.817 nan 8.280 nan 0.000 0.566 88 D N -0.675 119.424 120.400 -0.503 0.000 2.538 88 D HA -0.028 4.613 4.640 0.001 0.000 0.231 88 D C 1.481 177.712 176.300 -0.115 0.000 1.229 88 D CA -0.702 53.119 54.000 -0.298 0.000 0.828 88 D CB -1.083 39.447 40.800 -0.449 0.000 1.035 88 D HN 0.239 nan 8.370 nan 0.000 0.495 89 F N 2.092 121.939 119.950 -0.172 0.000 2.046 89 F HA -0.168 4.360 4.527 0.001 0.000 0.297 89 F C 1.576 177.327 175.800 -0.082 0.000 1.123 89 F CA 1.709 59.627 58.000 -0.135 0.000 1.199 89 F CB -0.037 38.884 39.000 -0.132 0.000 0.972 89 F HN -0.153 nan 8.300 nan 0.000 0.474 90 D N -0.065 120.294 120.400 -0.067 0.000 2.123 90 D HA -0.244 4.397 4.640 0.001 0.000 0.196 90 D C 2.128 178.339 176.300 -0.150 0.000 0.992 90 D CA 1.709 55.628 54.000 -0.136 0.000 0.833 90 D CB -0.359 40.464 40.800 0.038 0.000 0.954 90 D HN 0.572 nan 8.370 nan 0.000 0.455 91 E N 0.623 120.767 120.200 -0.094 0.000 2.047 91 E HA -0.115 4.236 4.350 0.001 0.000 0.191 91 E C 2.345 178.889 176.600 -0.094 0.000 0.987 91 E CA 0.493 56.852 56.400 -0.070 0.000 0.799 91 E CB 0.069 29.750 29.700 -0.032 0.000 0.752 91 E HN 0.219 nan 8.360 nan 0.000 0.449 92 L N -0.131 121.015 121.223 -0.127 0.000 2.270 92 L HA -0.015 4.326 4.340 0.001 0.000 0.210 92 L C 2.134 178.925 176.870 -0.131 0.000 1.104 92 L CA 0.331 55.108 54.840 -0.105 0.000 0.804 92 L CB 0.211 42.216 42.059 -0.089 0.000 0.937 92 L HN 0.354 nan 8.230 nan 0.000 0.450 93 c N -0.964 117.463 118.600 -0.287 0.000 3.019 93 c HA 0.254 4.824 4.570 0.001 0.000 0.295 93 c C 1.472 175.462 174.090 -0.166 0.000 1.256 93 c CA -0.391 55.749 56.329 -0.314 0.000 1.706 93 c CB 0.036 42.051 42.510 -0.825 0.000 2.153 93 c HN 0.288 nan 8.230 nan 0.000 0.618 94 L N 1.329 122.429 121.223 -0.206 0.000 3.100 94 L HA 0.227 4.568 4.340 0.001 0.000 0.259 94 L C -0.168 176.705 176.870 0.005 0.000 1.316 94 L CA 0.083 54.899 54.840 -0.039 0.000 0.992 94 L CB -0.356 41.661 42.059 -0.070 0.000 1.390 94 L HN 0.227 nan 8.230 nan 0.000 0.550 95 K N 0.411 120.808 120.400 -0.005 0.000 2.436 95 K HA 0.121 4.441 4.320 0.001 0.000 0.275 95 K C 1.096 177.635 176.600 -0.102 0.000 0.999 95 K CA 0.443 56.698 56.287 -0.053 0.000 0.980 95 K CB 0.809 33.268 32.500 -0.067 0.000 0.919 95 K HN 0.217 nan 8.250 nan 0.000 0.484 96 T N -2.389 112.054 114.554 -0.184 0.000 2.986 96 T HA 0.188 4.538 4.350 0.001 0.000 0.264 96 T C 0.599 175.048 174.700 -0.419 0.000 0.964 96 T CA -0.401 61.495 62.100 -0.342 0.000 0.895 96 T CB 0.417 69.195 68.868 -0.151 0.000 1.163 96 T HN 0.525 nan 8.240 nan 0.000 0.517 97 A N 2.518 125.167 122.820 -0.286 0.000 2.561 97 A HA 0.405 4.725 4.320 0.001 0.000 0.251 97 A C 1.082 178.486 177.584 -0.299 0.000 1.062 97 A CA 0.263 52.157 52.037 -0.239 0.000 0.761 97 A CB -0.621 18.281 19.000 -0.164 0.000 0.986 97 A HN 0.582 nan 8.150 nan 0.000 0.510 98 R N 1.010 121.354 120.500 -0.260 0.000 3.892 98 R HA -0.195 4.146 4.340 0.001 0.000 0.441 98 R C 0.994 177.103 176.300 -0.318 0.000 1.052 98 R CA 1.009 56.967 56.100 -0.236 0.000 1.190 98 R CB -2.478 27.709 30.300 -0.189 0.000 1.808 98 R HN 2.762 nan 8.270 nan 0.000 0.538 99 G N -0.465 108.022 108.800 -0.522 0.000 2.642 99 G HA2 -0.302 3.659 3.960 0.001 0.000 0.231 99 G HA3 -0.302 3.659 3.960 0.001 0.000 0.231 99 G C -0.031 174.384 174.900 -0.808 0.000 1.338 99 G CA 0.245 44.903 45.100 -0.738 0.000 0.883 99 G HN 0.263 nan 8.290 nan 0.000 0.570 100 W N 0.820 122.090 121.300 -0.051 0.000 3.008 100 W HA 0.535 5.195 4.660 0.001 0.000 0.355 100 W C 0.839 177.337 176.519 -0.035 0.000 1.095 100 W CA 0.022 57.335 57.345 -0.052 0.000 1.738 100 W CB 0.703 30.133 29.460 -0.050 0.000 1.091 100 W HN 0.518 nan 8.180 nan 0.000 0.574 101 E N 0.128 120.389 120.200 0.100 0.000 2.248 101 E HA 0.319 4.670 4.350 0.001 0.000 0.267 101 E C -0.942 175.684 176.600 0.043 0.000 0.877 101 E CA -0.876 55.576 56.400 0.087 0.000 0.759 101 E CB 1.846 31.598 29.700 0.087 0.000 1.182 101 E HN -0.238 nan 8.360 nan 0.000 0.418 102 c N 2.562 121.204 118.600 0.069 0.000 2.637 102 c HA 0.294 4.864 4.570 0.001 0.000 0.418 102 c C 0.899 175.017 174.090 0.047 0.000 1.319 102 c CA -0.259 56.112 56.329 0.070 0.000 1.949 102 c CB -0.805 41.791 42.510 0.144 0.000 2.639 102 c HN 0.678 nan 8.230 nan 0.000 0.594 103 T N -0.216 114.356 114.554 0.030 0.000 2.940 103 T HA 0.574 4.925 4.350 0.001 0.000 0.288 103 T C 0.926 175.637 174.700 0.017 0.000 1.033 103 T CA -0.162 61.949 62.100 0.017 0.000 1.033 103 T CB 1.502 70.373 68.868 0.005 0.000 1.079 103 T HN 0.730 nan 8.240 nan 0.000 0.496 104 K N 0.974 121.378 120.400 0.007 0.000 2.127 104 K HA -0.179 4.142 4.320 0.001 0.000 0.208 104 K C 1.605 178.210 176.600 0.009 0.000 1.047 104 K CA 2.276 58.565 56.287 0.003 0.000 0.927 104 K CB -1.532 30.964 32.500 -0.006 0.000 0.716 104 K HN 0.959 nan 8.250 nan 0.000 0.450 105 D N -1.057 119.347 120.400 0.007 0.000 2.363 105 D HA -0.111 4.530 4.640 0.001 0.000 0.226 105 D C 1.456 177.764 176.300 0.012 0.000 1.020 105 D CA 0.375 54.379 54.000 0.006 0.000 0.892 105 D CB -0.019 40.781 40.800 -0.000 0.000 0.900 105 D HN 0.544 nan 8.370 nan 0.000 0.531 106 R N -0.388 120.125 120.500 0.023 0.000 2.335 106 R HA 0.180 4.521 4.340 0.001 0.000 0.210 106 R C 0.477 176.815 176.300 0.063 0.000 0.892 106 R CA -0.245 55.874 56.100 0.032 0.000 1.048 106 R CB 0.484 30.799 30.300 0.026 0.000 1.067 106 R HN 0.100 nan 8.270 nan 0.000 0.524 107 c N 1.550 120.193 118.600 0.072 0.000 2.634 107 c HA 0.238 4.809 4.570 0.001 0.000 0.418 107 c C 1.724 175.870 174.090 0.093 0.000 1.373 107 c CA 0.842 57.238 56.329 0.113 0.000 1.756 107 c CB -0.098 42.452 42.510 0.065 0.000 2.589 107 c HN 0.896 nan 8.230 nan 0.000 0.602 108 G N 2.560 111.436 108.800 0.127 0.000 2.184 108 G HA2 -0.221 3.740 3.960 0.001 0.000 0.264 108 G HA3 -0.221 3.740 3.960 0.001 0.000 0.264 108 G C 0.066 174.996 174.900 0.050 0.000 0.975 108 G CA 0.497 45.646 45.100 0.083 0.000 0.642 108 G HN 0.963 nan 8.290 nan 0.000 0.536 109 E N 0.117 120.345 120.200 0.047 0.000 2.438 109 E HA 0.367 4.718 4.350 0.001 0.000 0.261 109 E C 0.364 176.976 176.600 0.018 0.000 1.103 109 E CA -0.394 56.023 56.400 0.029 0.000 0.959 109 E CB 0.984 30.702 29.700 0.029 0.000 0.958 109 E HN 0.225 nan 8.360 nan 0.000 0.447 110 V N 2.234 122.156 119.914 0.012 0.000 2.637 110 V HA 0.023 4.144 4.120 0.001 0.000 0.296 110 V C 0.926 177.025 176.094 0.008 0.000 1.046 110 V CA -0.171 62.132 62.300 0.004 0.000 1.066 110 V CB 0.755 32.579 31.823 0.001 0.000 0.968 110 V HN 0.700 nan 8.190 nan 0.000 0.483 111 R N 4.261 124.756 120.500 -0.009 0.000 2.458 111 R HA 0.040 4.381 4.340 0.001 0.000 0.303 111 R C -0.160 176.150 176.300 0.018 0.000 1.013 111 R CA -0.019 56.075 56.100 -0.010 0.000 1.026 111 R CB 0.110 30.345 30.300 -0.109 0.000 0.948 111 R HN 0.757 nan 8.270 nan 0.000 0.417 112 N N 3.389 122.140 118.700 0.086 0.000 2.446 112 N HA 0.037 4.777 4.740 0.001 0.000 0.265 112 N C -0.179 175.426 175.510 0.158 0.000 0.975 112 N CA -0.402 52.692 53.050 0.074 0.000 0.928 112 N CB 1.553 40.064 38.487 0.040 0.000 1.160 112 N HN 0.608 nan 8.380 nan 0.000 0.495 113 E N 1.833 122.093 120.200 0.099 0.000 2.516 113 E HA -0.117 4.233 4.350 0.001 0.000 0.199 113 E C 0.234 176.894 176.600 0.100 0.000 1.069 113 E CA 0.463 56.940 56.400 0.129 0.000 0.876 113 E CB 0.415 30.140 29.700 0.042 0.000 0.843 113 E HN 0.623 nan 8.360 nan 0.000 0.530 114 E N 0.595 120.823 120.200 0.047 0.000 2.385 114 E HA 0.000 4.351 4.350 0.001 0.000 0.194 114 E C 0.136 176.696 176.600 -0.068 0.000 1.013 114 E CA 0.024 56.417 56.400 -0.011 0.000 0.866 114 E CB 0.179 29.865 29.700 -0.023 0.000 0.832 114 E HN 0.062 nan 8.360 nan 0.000 0.500 115 N N -0.061 118.582 118.700 -0.095 0.000 2.508 115 N HA 0.053 4.794 4.740 0.001 0.000 0.264 115 N C 0.600 175.899 175.510 -0.352 0.000 1.216 115 N CA 0.621 53.519 53.050 -0.252 0.000 0.943 115 N CB 1.357 39.655 38.487 -0.315 0.000 1.113 115 N HN 0.094 nan 8.380 nan 0.000 0.447 116 A N 1.119 123.707 122.820 -0.387 0.000 1.902 116 A HA -0.080 4.241 4.320 0.001 0.000 0.217 116 A C 0.922 178.329 177.584 -0.296 0.000 1.181 116 A CA 1.353 53.157 52.037 -0.388 0.000 0.623 116 A CB -0.501 18.016 19.000 -0.804 0.000 0.818 116 A HN 0.831 nan 8.150 nan 0.000 0.443 117 c N -4.445 113.914 118.600 -0.402 0.000 3.323 117 c HA 0.819 5.390 4.570 0.001 0.000 0.324 117 c C -0.636 173.121 174.090 -0.555 0.000 1.428 117 c CA -1.285 54.824 56.329 -0.365 0.000 1.368 117 c CB 0.770 43.246 42.510 -0.057 0.000 1.731 117 c HN 0.492 nan 8.230 nan 0.000 0.455 118 H N -1.200 117.825 119.070 -0.074 0.000 2.679 118 H HA 0.545 5.101 4.556 0.001 0.000 0.367 118 H C -0.568 174.653 175.328 -0.178 0.000 1.162 118 H CA -0.390 55.591 56.048 -0.113 0.000 1.181 118 H CB 1.823 31.512 29.762 -0.122 0.000 1.693 118 H HN 0.890 nan 8.280 nan 0.000 0.538 119 c N 0.757 119.333 118.600 -0.039 0.000 3.512 119 c HA 0.122 4.693 4.570 0.001 0.000 0.276 119 c C 1.227 175.267 174.090 -0.083 0.000 1.592 119 c CA -0.508 55.769 56.329 -0.088 0.000 1.803 119 c CB -1.111 41.474 42.510 0.126 0.000 2.996 119 c HN 0.765 nan 8.230 nan 0.000 0.590 120 S N 0.899 116.543 115.700 -0.094 0.000 2.600 120 S HA 0.200 4.671 4.470 0.001 0.000 0.265 120 S C 0.811 175.348 174.600 -0.105 0.000 1.325 120 S CA 0.204 58.371 58.200 -0.056 0.000 1.002 120 S CB 1.072 64.244 63.200 -0.047 0.000 0.921 120 S HN 0.353 nan 8.310 nan 0.000 0.554 121 E N 0.794 120.985 120.200 -0.014 0.000 2.204 121 E HA -0.151 4.200 4.350 0.001 0.000 0.195 121 E C 1.143 177.733 176.600 -0.016 0.000 0.990 121 E CA 1.650 58.068 56.400 0.029 0.000 0.821 121 E CB -0.259 29.466 29.700 0.043 0.000 0.750 121 E HN 0.842 nan 8.360 nan 0.000 0.477 122 D N -1.036 119.328 120.400 -0.059 0.000 2.339 122 D HA -0.086 4.555 4.640 0.001 0.000 0.217 122 D C 1.873 178.114 176.300 -0.099 0.000 1.050 122 D CA 0.671 54.634 54.000 -0.062 0.000 0.856 122 D CB -1.130 39.633 40.800 -0.062 0.000 0.922 122 D HN 0.389 nan 8.370 nan 0.000 0.518 123 c N -0.489 118.008 118.600 -0.172 0.000 2.413 123 c HA -0.054 4.517 4.570 0.001 0.000 0.277 123 c C 2.417 176.433 174.090 -0.124 0.000 1.265 123 c CA 0.130 56.343 56.329 -0.193 0.000 1.752 123 c CB -1.615 40.713 42.510 -0.303 0.000 1.998 123 c HN 0.258 nan 8.230 nan 0.000 0.489 124 L N 2.866 124.031 121.223 -0.097 0.000 1.994 124 L HA -0.075 4.266 4.340 0.001 0.000 0.208 124 L C 3.027 179.906 176.870 0.014 0.000 1.071 124 L CA 2.743 57.580 54.840 -0.004 0.000 0.745 124 L CB -0.768 41.332 42.059 0.068 0.000 0.892 124 L HN 0.635 nan 8.230 nan 0.000 0.431 125 S N -1.459 114.247 115.700 0.010 0.000 2.481 125 S HA -0.087 4.383 4.470 0.001 0.000 0.231 125 S C 1.936 176.545 174.600 0.016 0.000 0.996 125 S CA 0.372 58.586 58.200 0.022 0.000 0.942 125 S CB -0.482 62.730 63.200 0.020 0.000 0.768 125 S HN 0.440 nan 8.310 nan 0.000 0.520 126 R N 0.896 121.390 120.500 -0.010 0.000 2.275 126 R HA 0.186 4.527 4.340 0.001 0.000 0.199 126 R C 1.522 177.828 176.300 0.010 0.000 0.989 126 R CA 0.486 56.577 56.100 -0.014 0.000 1.016 126 R CB -0.480 29.782 30.300 -0.064 0.000 0.918 126 R HN 0.596 nan 8.270 nan 0.000 0.473 127 G N 2.967 111.777 108.800 0.016 0.000 2.160 127 G HA2 -0.249 3.711 3.960 0.001 0.000 0.251 127 G HA3 -0.249 3.711 3.960 0.001 0.000 0.251 127 G C -0.159 174.759 174.900 0.029 0.000 1.008 127 G CA 0.736 45.857 45.100 0.035 0.000 0.724 127 G HN 0.553 nan 8.290 nan 0.000 0.514 128 D N -0.996 119.418 120.400 0.023 0.000 2.740 128 D HA 0.278 4.919 4.640 0.001 0.000 0.301 128 D C 0.762 177.108 176.300 0.076 0.000 1.408 128 D CA -0.271 53.771 54.000 0.070 0.000 0.808 128 D CB -0.960 39.924 40.800 0.140 0.000 1.128 128 D HN 0.266 nan 8.370 nan 0.000 0.465 129 c N 0.650 119.243 118.600 -0.010 0.000 2.676 129 c HA 0.310 4.881 4.570 0.001 0.000 0.416 129 c C 1.317 175.419 174.090 0.019 0.000 1.299 129 c CA -0.845 55.444 56.329 -0.067 0.000 2.048 129 c CB 0.013 42.447 42.510 -0.128 0.000 2.713 129 c HN 0.512 nan 8.230 nan 0.000 0.624 130 c N 2.664 121.283 118.600 0.033 0.000 2.665 130 c HA 0.138 4.709 4.570 0.001 0.000 0.416 130 c C 2.263 176.417 174.090 0.107 0.000 1.305 130 c CA 0.486 56.863 56.329 0.080 0.000 1.903 130 c CB -0.282 42.279 42.510 0.085 0.000 2.704 130 c HN 1.068 nan 8.230 nan 0.000 0.629 131 T N -0.283 114.322 114.554 0.085 0.000 2.929 131 T HA -0.174 4.177 4.350 0.001 0.000 0.271 131 T C 1.069 175.822 174.700 0.088 0.000 1.085 131 T CA 1.690 63.829 62.100 0.064 0.000 1.125 131 T CB -0.433 68.445 68.868 0.018 0.000 0.874 131 T HN 0.842 nan 8.240 nan 0.000 0.494 132 N N 0.201 118.966 118.700 0.109 0.000 2.268 132 N HA -0.007 4.734 4.740 0.001 0.000 0.204 132 N C 1.145 176.692 175.510 0.061 0.000 1.124 132 N CA -0.422 52.678 53.050 0.084 0.000 0.838 132 N CB -0.704 37.856 38.487 0.122 0.000 0.994 132 N HN 0.505 nan 8.380 nan 0.000 0.489 133 Y N 1.721 122.016 120.300 -0.009 0.000 2.081 133 Y HA -0.219 4.332 4.550 0.002 0.000 0.280 133 Y C 2.099 177.980 175.900 -0.032 0.000 1.163 133 Y CA 2.086 60.179 58.100 -0.012 0.000 1.135 133 Y CB -0.279 38.183 38.460 0.004 0.000 0.970 133 Y HN 0.143 nan 8.280 nan 0.000 0.498 134 Q N -0.686 118.926 119.800 -0.313 0.000 2.124 134 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 134 Q C 2.349 178.164 176.000 -0.308 0.000 0.977 134 Q CA 1.860 57.415 55.803 -0.413 0.000 0.850 134 Q CB -0.268 28.354 28.738 -0.194 0.000 0.901 134 Q HN 0.442 nan 8.270 nan 0.000 0.429 135 V N 0.128 119.891 119.914 -0.252 0.000 2.295 135 V HA -0.219 3.902 4.120 0.001 0.000 0.246 135 V C 2.172 178.131 176.094 -0.225 0.000 1.049 135 V CA 1.470 63.600 62.300 -0.283 0.000 1.024 135 V CB -0.387 31.145 31.823 -0.485 0.000 0.648 135 V HN 0.171 nan 8.190 nan 0.000 0.447 136 V N -1.482 118.319 119.914 -0.187 0.000 2.488 136 V HA -0.165 3.956 4.120 0.001 0.000 0.246 136 V C 2.166 178.174 176.094 -0.143 0.000 1.046 136 V CA 2.014 64.241 62.300 -0.122 0.000 1.053 136 V CB -0.135 31.658 31.823 -0.050 0.000 0.679 136 V HN 0.646 nan 8.190 nan 0.000 0.458 137 c N -1.060 117.389 118.600 -0.251 0.000 2.935 137 c HA 0.232 4.803 4.570 0.001 0.000 0.308 137 c C 1.779 175.707 174.090 -0.270 0.000 1.263 137 c CA -0.254 55.918 56.329 -0.262 0.000 1.738 137 c CB -0.272 42.021 42.510 -0.363 0.000 2.237 137 c HN 0.373 nan 8.230 nan 0.000 0.600 138 K N 0.360 120.571 120.400 -0.314 0.000 2.536 138 K HA 0.259 4.580 4.320 0.001 0.000 0.203 138 K C 1.123 177.627 176.600 -0.160 0.000 1.063 138 K CA 0.571 56.723 56.287 -0.224 0.000 1.063 138 K CB 0.382 32.728 32.500 -0.255 0.000 0.843 138 K HN 0.357 nan 8.250 nan 0.000 0.521 139 G N 1.767 110.474 108.800 -0.154 0.000 2.187 139 G HA2 -0.268 3.693 3.960 0.001 0.000 0.261 139 G HA3 -0.268 3.693 3.960 0.001 0.000 0.261 139 G C 0.159 174.987 174.900 -0.121 0.000 1.000 139 G CA 0.439 45.467 45.100 -0.120 0.000 0.718 139 G HN 0.246 nan 8.290 nan 0.000 0.519 140 E N 0.474 120.585 120.200 -0.148 0.000 2.369 140 E HA 0.480 4.831 4.350 0.001 0.000 0.255 140 E C 1.000 177.507 176.600 -0.156 0.000 1.172 140 E CA 0.490 56.810 56.400 -0.134 0.000 0.932 140 E CB 0.966 30.585 29.700 -0.136 0.000 1.040 140 E HN 0.568 nan 8.360 nan 0.000 0.454 141 S N 0.794 116.419 115.700 -0.124 0.000 2.578 141 S HA 0.305 4.776 4.470 0.001 0.000 0.283 141 S C 0.128 174.663 174.600 -0.109 0.000 1.195 141 S CA -0.850 57.280 58.200 -0.116 0.000 1.050 141 S CB 0.807 63.970 63.200 -0.062 0.000 1.012 141 S HN 0.351 nan 8.310 nan 0.000 0.511 142 H N 0.572 119.625 119.070 -0.029 0.000 2.948 142 H HA -0.040 4.516 4.556 0.000 0.000 0.351 142 H C 0.701 176.046 175.328 0.028 0.000 1.079 142 H CA 0.559 56.610 56.048 0.004 0.000 1.407 142 H CB 0.264 30.024 29.762 -0.003 0.000 1.373 142 H HN 1.028 nan 8.280 nan 0.000 0.605 143 W N 4.014 125.326 121.300 0.021 0.000 2.342 143 W HA -0.212 4.452 4.660 0.006 0.000 0.297 143 W C 1.978 178.476 176.519 -0.035 0.000 1.213 143 W CA 1.744 59.064 57.345 -0.041 0.000 1.251 143 W CB -0.421 28.994 29.460 -0.075 0.000 1.136 143 W HN 0.409 nan 8.180 nan 0.000 0.526 144 V N 1.196 121.094 119.914 -0.027 0.000 2.759 144 V HA -0.214 3.907 4.120 0.001 0.000 0.256 144 V C 1.442 177.353 176.094 -0.305 0.000 1.080 144 V CA 2.554 64.668 62.300 -0.309 0.000 1.101 144 V CB -0.568 31.201 31.823 -0.089 0.000 0.698 144 V HN 0.086 nan 8.190 nan 0.000 0.477 145 D N -0.273 120.030 120.400 -0.163 0.000 2.348 145 D HA 0.045 4.685 4.640 0.001 0.000 0.211 145 D C 0.281 176.487 176.300 -0.156 0.000 0.998 145 D CA 0.253 54.179 54.000 -0.123 0.000 0.873 145 D CB -0.013 40.769 40.800 -0.030 0.000 0.925 145 D HN 0.508 nan 8.370 nan 0.000 0.524 146 D N 1.653 121.915 120.400 -0.230 0.000 2.304 146 D HA 0.073 4.714 4.640 0.001 0.000 0.250 146 D C 0.179 176.341 176.300 -0.229 0.000 1.107 146 D CA -0.159 53.721 54.000 -0.201 0.000 0.885 146 D CB 0.944 41.632 40.800 -0.186 0.000 1.192 146 D HN -0.124 nan 8.370 nan 0.000 0.436 147 D N 0.370 120.692 120.400 -0.130 0.000 2.478 147 D HA -0.070 4.571 4.640 0.001 0.000 0.234 147 D C 0.212 176.462 176.300 -0.083 0.000 1.154 147 D CA -0.023 53.920 54.000 -0.096 0.000 0.874 147 D CB 0.487 41.260 40.800 -0.044 0.000 1.198 147 D HN 0.268 nan 8.370 nan 0.000 0.455 148 c N 1.972 120.546 118.600 -0.042 0.000 2.632 148 c HA 0.524 5.095 4.570 0.001 0.000 0.415 148 c C 0.175 174.343 174.090 0.131 0.000 1.332 148 c CA 0.036 56.403 56.329 0.064 0.000 1.874 148 c CB -1.400 41.170 42.510 0.100 0.000 2.596 148 c HN 0.621 nan 8.230 nan 0.000 0.590 149 E N 4.033 124.322 120.200 0.147 0.000 2.263 149 E HA 0.420 4.771 4.350 0.001 0.000 0.268 149 E C -0.613 175.944 176.600 -0.071 0.000 0.884 149 E CA -0.483 55.938 56.400 0.036 0.000 0.766 149 E CB 1.025 30.728 29.700 0.005 0.000 1.196 149 E HN 0.952 nan 8.360 nan 0.000 0.416 150 E N 1.397 121.326 120.200 -0.453 0.000 2.529 150 E HA 0.150 4.501 4.350 0.001 0.000 0.259 150 E C -0.472 175.948 176.600 -0.300 0.000 0.966 150 E CA 0.086 56.044 56.400 -0.737 0.000 0.937 150 E CB 0.219 29.228 29.700 -1.153 0.000 0.923 150 E HN 0.576 nan 8.360 nan 0.000 0.468 151 I N 6.054 126.503 120.570 -0.202 0.000 2.347 151 I HA 0.187 4.358 4.170 0.001 0.000 0.283 151 I C 1.228 177.277 176.117 -0.113 0.000 1.058 151 I CA -0.319 60.898 61.300 -0.138 0.000 1.202 151 I CB 0.820 38.740 38.000 -0.132 0.000 1.386 151 I HN 0.535 nan 8.210 nan 0.000 0.475 152 R N 3.479 123.914 120.500 -0.108 0.000 2.153 152 R HA 0.080 4.421 4.340 0.001 0.000 0.218 152 R C 0.355 176.623 176.300 -0.054 0.000 1.072 152 R CA 0.743 56.795 56.100 -0.079 0.000 0.990 152 R CB 0.380 30.632 30.300 -0.079 0.000 0.889 152 R HN 0.591 nan 8.270 nan 0.000 0.452 153 V N -2.846 117.036 119.914 -0.054 0.000 3.049 153 V HA 0.513 4.634 4.120 0.001 0.000 0.309 153 V C -2.914 173.154 176.094 -0.043 0.000 1.148 153 V CA -3.217 59.060 62.300 -0.040 0.000 0.990 153 V CB 2.206 34.010 31.823 -0.031 0.000 1.039 153 V HN -0.180 nan 8.190 nan 0.000 0.430 154 P HA 0.276 nan 4.420 nan 0.000 0.265 154 P C -0.719 176.556 177.300 -0.041 0.000 1.193 154 P CA 0.378 63.459 63.100 -0.032 0.000 0.765 154 P CB 0.201 31.899 31.700 -0.004 0.000 0.823 155 E N 2.011 122.169 120.200 -0.069 0.000 2.267 155 E HA 0.294 4.644 4.350 0.001 0.000 0.241 155 E C -0.891 175.648 176.600 -0.101 0.000 0.950 155 E CA -0.390 55.965 56.400 -0.077 0.000 0.776 155 E CB 0.207 29.849 29.700 -0.097 0.000 1.207 155 E HN 0.394 nan 8.360 nan 0.000 0.436 156 c N 2.831 121.383 118.600 -0.080 0.000 2.493 156 c HA 0.528 5.099 4.570 0.001 0.000 0.326 156 c C -1.847 172.183 174.090 -0.101 0.000 1.200 156 c CA -1.655 54.585 56.329 -0.149 0.000 1.739 156 c CB 0.795 43.263 42.510 -0.070 0.000 2.300 156 c HN 0.573 nan 8.230 nan 0.000 0.500 157 P HA 0.297 nan 4.420 nan 0.000 0.273 157 P C -0.606 176.785 177.300 0.152 0.000 1.250 157 P CA -0.164 62.924 63.100 -0.020 0.000 0.793 157 P CB 0.307 31.980 31.700 -0.044 0.000 1.011 158 A N 0.658 123.565 122.820 0.145 0.000 2.567 158 A HA 0.392 4.713 4.320 0.001 0.000 0.240 158 A C 1.448 179.168 177.584 0.228 0.000 1.053 158 A CA 0.887 53.015 52.037 0.152 0.000 0.755 158 A CB -1.500 17.562 19.000 0.104 0.000 0.978 158 A HN 0.899 nan 8.150 nan 0.000 0.507 159 G N 1.343 110.251 108.800 0.179 0.000 2.232 159 G HA2 -0.220 3.741 3.960 0.001 0.000 0.226 159 G HA3 -0.220 3.741 3.960 0.001 0.000 0.226 159 G C 0.094 175.034 174.900 0.067 0.000 0.996 159 G CA 0.097 45.263 45.100 0.109 0.000 0.626 159 G HN 0.707 nan 8.290 nan 0.000 0.509 160 F N 1.183 121.159 119.950 0.044 0.000 2.472 160 F HA 0.438 4.967 4.527 0.004 0.000 0.364 160 F C 1.679 177.502 175.800 0.039 0.000 1.090 160 F CA 0.036 58.066 58.000 0.049 0.000 1.188 160 F CB 1.682 40.715 39.000 0.054 0.000 1.105 160 F HN -0.060 nan 8.300 nan 0.000 0.536 161 V N 1.961 121.955 119.914 0.134 0.000 3.125 161 V HA 0.290 4.411 4.120 0.001 0.000 0.249 161 V C 0.959 177.112 176.094 0.098 0.000 1.113 161 V CA 0.784 63.138 62.300 0.090 0.000 1.106 161 V CB -0.832 31.015 31.823 0.039 0.000 0.768 161 V HN 0.675 nan 8.190 nan 0.000 0.468 162 R N 0.798 121.376 120.500 0.130 0.000 2.707 162 R HA 0.716 5.057 4.340 0.001 0.000 0.272 162 R C -3.250 173.155 176.300 0.175 0.000 1.011 162 R CA -1.647 54.523 56.100 0.117 0.000 0.893 162 R CB -0.337 30.010 30.300 0.080 0.000 1.233 162 R HN 0.142 nan 8.270 nan 0.000 0.464 163 P HA 0.258 nan 4.420 nan 0.000 0.271 163 P C -2.588 174.828 177.300 0.193 0.000 1.233 163 P CA -1.105 62.085 63.100 0.151 0.000 0.764 163 P CB 0.411 32.163 31.700 0.086 0.000 0.825 164 P HA 0.122 nan 4.420 nan 0.000 0.270 164 P C -0.593 176.870 177.300 0.273 0.000 1.223 164 P CA -0.090 63.200 63.100 0.317 0.000 0.785 164 P CB 0.335 32.288 31.700 0.420 0.000 0.923 165 L N 2.666 124.077 121.223 0.314 0.000 2.333 165 L HA 0.527 4.868 4.340 0.001 0.000 0.280 165 L C -1.167 175.918 176.870 0.359 0.000 1.004 165 L CA -0.219 54.796 54.840 0.293 0.000 0.820 165 L CB 0.694 42.905 42.059 0.253 0.000 1.247 165 L HN 0.213 nan 8.230 nan 0.000 0.416 166 I N 6.335 127.086 120.570 0.301 0.000 2.389 166 I HA 0.395 4.566 4.170 0.001 0.000 0.288 166 I C -0.689 175.585 176.117 0.263 0.000 0.999 166 I CA -0.492 60.982 61.300 0.289 0.000 1.129 166 I CB 1.721 39.838 38.000 0.195 0.000 1.288 166 I HN 0.515 nan 8.210 nan 0.000 0.444 167 I N 6.285 126.996 120.570 0.236 0.000 2.312 167 I HA 0.237 4.407 4.170 0.001 0.000 0.290 167 I C -0.706 175.548 176.117 0.229 0.000 1.008 167 I CA -0.350 61.084 61.300 0.224 0.000 1.226 167 I CB 1.026 39.144 38.000 0.196 0.000 1.371 167 I HN 0.401 nan 8.210 nan 0.000 0.468 168 F N 7.152 127.154 119.950 0.087 0.000 2.325 168 F HA 0.432 4.961 4.527 0.003 0.000 0.369 168 F C 0.350 176.117 175.800 -0.055 0.000 1.095 168 F CA -0.609 57.451 58.000 0.101 0.000 1.082 168 F CB 0.832 39.878 39.000 0.076 0.000 1.289 168 F HN 0.456 nan 8.300 nan 0.000 0.462 169 S N 5.224 120.918 115.700 -0.010 0.000 2.489 169 S HA 0.830 5.300 4.470 0.001 0.000 0.291 169 S C -0.703 173.801 174.600 -0.161 0.000 1.151 169 S CA -0.604 57.562 58.200 -0.056 0.000 1.082 169 S CB 1.547 64.793 63.200 0.076 0.000 1.019 169 S HN 0.678 nan 8.310 nan 0.000 0.492 170 V N -0.451 119.343 119.914 -0.200 0.000 2.656 170 V HA 0.586 4.707 4.120 0.001 0.000 0.307 170 V C -0.671 175.376 176.094 -0.078 0.000 1.051 170 V CA -0.883 61.331 62.300 -0.143 0.000 0.893 170 V CB 1.699 33.481 31.823 -0.068 0.000 0.999 170 V HN 0.914 nan 8.190 nan 0.000 0.426 171 D N 3.003 123.350 120.400 -0.089 0.000 2.264 171 D HA 0.480 5.121 4.640 0.001 0.000 0.250 171 D C 1.192 177.445 176.300 -0.078 0.000 1.113 171 D CA 1.400 55.366 54.000 -0.057 0.000 0.871 171 D CB 1.510 42.347 40.800 0.063 0.000 1.167 171 D HN 1.435 nan 8.370 nan 0.000 0.447 172 G N 3.624 112.187 108.800 -0.394 0.000 2.153 172 G HA2 -0.307 3.654 3.960 0.001 0.000 0.252 172 G HA3 -0.307 3.654 3.960 0.001 0.000 0.252 172 G C 0.285 175.176 174.900 -0.016 0.000 0.994 172 G CA -0.101 44.837 45.100 -0.271 0.000 0.698 172 G HN 0.490 nan 8.290 nan 0.000 0.521 173 F N 2.425 122.315 119.950 -0.100 0.000 2.494 173 F HA 0.466 4.994 4.527 0.001 0.000 0.351 173 F C 1.231 176.933 175.800 -0.163 0.000 1.205 173 F CA -0.833 57.189 58.000 0.036 0.000 1.125 173 F CB 0.230 39.269 39.000 0.065 0.000 1.268 173 F HN 0.226 nan 8.300 nan 0.000 0.593 174 R N 3.703 123.870 120.500 -0.554 0.000 2.623 174 R HA 0.231 4.572 4.340 0.001 0.000 0.271 174 R C 1.336 177.462 176.300 -0.289 0.000 1.043 174 R CA 0.497 56.238 56.100 -0.598 0.000 1.083 174 R CB 0.949 30.565 30.300 -1.140 0.000 0.974 174 R HN 0.818 nan 8.270 nan 0.000 0.436 175 A N 2.617 125.406 122.820 -0.052 0.000 1.917 175 A HA -0.219 4.102 4.320 0.001 0.000 0.219 175 A C 1.987 179.633 177.584 0.103 0.000 1.182 175 A CA 2.111 54.224 52.037 0.127 0.000 0.633 175 A CB -0.696 18.394 19.000 0.151 0.000 0.819 175 A HN 0.894 nan 8.150 nan 0.000 0.448 176 S N -1.635 114.040 115.700 -0.041 0.000 2.474 176 S HA -0.134 4.337 4.470 0.001 0.000 0.235 176 S C 1.672 176.332 174.600 0.101 0.000 0.997 176 S CA 1.025 59.242 58.200 0.028 0.000 0.949 176 S CB -0.713 62.487 63.200 0.001 0.000 0.766 176 S HN 0.516 nan 8.310 nan 0.000 0.517 177 Y N 1.770 122.047 120.300 -0.038 0.000 2.333 177 Y HA 0.084 4.634 4.550 0.001 0.000 0.290 177 Y C 2.446 178.369 175.900 0.038 0.000 1.144 177 Y CA 0.006 58.026 58.100 -0.133 0.000 1.228 177 Y CB -0.832 37.303 38.460 -0.541 0.000 0.985 177 Y HN 0.259 nan 8.280 nan 0.000 0.542 178 M N 0.012 119.819 119.600 0.345 0.000 2.267 178 M HA -0.203 4.278 4.480 0.001 0.000 0.263 178 M C 1.704 178.094 176.300 0.150 0.000 1.063 178 M CA 1.317 56.785 55.300 0.279 0.000 1.090 178 M CB -0.900 31.850 32.600 0.251 0.000 1.392 178 M HN 0.218 nan 8.290 nan 0.000 0.422 179 K N 0.181 120.665 120.400 0.140 0.000 2.442 179 K HA -0.112 4.209 4.320 0.001 0.000 0.198 179 K C 1.773 178.415 176.600 0.071 0.000 1.042 179 K CA 0.694 57.040 56.287 0.098 0.000 0.958 179 K CB -0.050 32.514 32.500 0.107 0.000 0.766 179 K HN 0.426 nan 8.250 nan 0.000 0.474 180 K N 0.479 120.922 120.400 0.072 0.000 2.211 180 K HA -0.048 4.272 4.320 0.001 0.000 0.203 180 K C 1.107 177.715 176.600 0.013 0.000 1.050 180 K CA 0.581 56.887 56.287 0.032 0.000 0.945 180 K CB -0.132 32.370 32.500 0.004 0.000 0.732 180 K HN 0.298 nan 8.250 nan 0.000 0.451 181 G N 0.861 109.671 108.800 0.017 0.000 2.645 181 G HA2 -0.343 3.617 3.960 0.001 0.000 0.246 181 G HA3 -0.343 3.617 3.960 0.001 0.000 0.246 181 G C 0.676 175.555 174.900 -0.035 0.000 1.322 181 G CA 0.205 45.297 45.100 -0.013 0.000 0.898 181 G HN 0.272 nan 8.290 nan 0.000 0.573 182 S N -0.530 115.138 115.700 -0.052 0.000 2.507 182 S HA -0.010 4.461 4.470 0.001 0.000 0.235 182 S C 1.850 176.416 174.600 -0.058 0.000 0.988 182 S CA 1.722 59.882 58.200 -0.067 0.000 0.944 182 S CB -0.044 63.110 63.200 -0.078 0.000 0.762 182 S HN 0.744 nan 8.310 nan 0.000 0.526 183 K N 0.456 120.830 120.400 -0.044 0.000 2.211 183 K HA 0.075 4.396 4.320 0.001 0.000 0.203 183 K C 1.457 178.031 176.600 -0.044 0.000 1.050 183 K CA 1.205 57.468 56.287 -0.041 0.000 0.945 183 K CB -0.035 32.447 32.500 -0.031 0.000 0.732 183 K HN 0.334 nan 8.250 nan 0.000 0.451 184 V N -0.219 119.670 119.914 -0.043 0.000 3.307 184 V HA 0.124 4.245 4.120 0.001 0.000 0.244 184 V C 0.786 176.851 176.094 -0.048 0.000 1.196 184 V CA 0.476 62.748 62.300 -0.047 0.000 1.132 184 V CB 0.318 32.112 31.823 -0.048 0.000 0.875 184 V HN 0.191 nan 8.190 nan 0.000 0.468 185 M N 1.426 120.997 119.600 -0.049 0.000 2.693 185 M HA 0.294 4.775 4.480 0.001 0.000 0.224 185 M C -2.131 174.110 176.300 -0.098 0.000 1.149 185 M CA -1.226 54.036 55.300 -0.062 0.000 0.622 185 M CB 2.095 34.682 32.600 -0.021 0.000 1.443 185 M HN 0.028 nan 8.290 nan 0.000 0.431 186 P HA -0.110 nan 4.420 nan 0.000 0.217 186 P C 0.685 177.913 177.300 -0.120 0.000 1.151 186 P CA 1.467 64.501 63.100 -0.110 0.000 0.828 186 P CB 0.074 31.710 31.700 -0.105 0.000 0.788 187 N N 0.150 118.788 118.700 -0.102 0.000 2.084 187 N HA -0.078 4.663 4.740 0.001 0.000 0.190 187 N C 2.019 177.445 175.510 -0.140 0.000 1.030 187 N CA 1.129 54.164 53.050 -0.024 0.000 0.849 187 N CB -0.463 37.988 38.487 -0.059 0.000 1.012 187 N HN 0.199 nan 8.380 nan 0.000 0.423 188 I N 1.206 121.593 120.570 -0.305 0.000 2.315 188 I HA -0.212 3.959 4.170 0.001 0.000 0.248 188 I C 2.460 178.371 176.117 -0.344 0.000 1.117 188 I CA 0.916 61.912 61.300 -0.508 0.000 1.404 188 I CB -0.147 37.474 38.000 -0.632 0.000 1.071 188 I HN 0.061 nan 8.210 nan 0.000 0.419 189 E N 1.652 121.719 120.200 -0.222 0.000 2.110 189 E HA -0.277 4.074 4.350 0.001 0.000 0.193 189 E C 2.064 178.560 176.600 -0.174 0.000 0.988 189 E CA 1.566 57.860 56.400 -0.176 0.000 0.804 189 E CB -0.138 29.484 29.700 -0.129 0.000 0.745 189 E HN 0.323 nan 8.360 nan 0.000 0.458 190 K N -0.175 120.124 120.400 -0.169 0.000 2.062 190 K HA -0.074 4.247 4.320 0.001 0.000 0.205 190 K C 2.168 178.703 176.600 -0.108 0.000 1.051 190 K CA 1.136 57.317 56.287 -0.176 0.000 0.941 190 K CB -0.168 32.122 32.500 -0.350 0.000 0.719 190 K HN 0.193 nan 8.250 nan 0.000 0.440 191 L N 0.731 121.875 121.223 -0.131 0.000 2.012 191 L HA -0.199 4.142 4.340 0.001 0.000 0.210 191 L C 2.934 179.739 176.870 -0.109 0.000 1.073 191 L CA 1.483 56.190 54.840 -0.222 0.000 0.748 191 L CB -0.501 41.321 42.059 -0.395 0.000 0.891 191 L HN 0.282 nan 8.230 nan 0.000 0.431 192 R N 0.152 120.539 120.500 -0.188 0.000 2.070 192 R HA -0.172 4.169 4.340 0.001 0.000 0.233 192 R C 2.620 178.806 176.300 -0.190 0.000 1.137 192 R CA 1.987 57.970 56.100 -0.195 0.000 0.945 192 R CB -0.187 29.955 30.300 -0.264 0.000 0.845 192 R HN 0.474 nan 8.270 nan 0.000 0.430 193 S N -0.788 114.808 115.700 -0.173 0.000 2.406 193 S HA -0.140 4.331 4.470 0.001 0.000 0.228 193 S C 2.304 176.850 174.600 -0.091 0.000 1.020 193 S CA 1.026 59.136 58.200 -0.151 0.000 0.965 193 S CB -0.612 62.507 63.200 -0.135 0.000 0.798 193 S HN 0.528 nan 8.310 nan 0.000 0.488 194 c N 1.540 120.134 118.600 -0.010 0.000 2.504 194 c HA 0.464 5.035 4.570 0.001 0.000 0.279 194 c C 2.014 176.174 174.090 0.116 0.000 1.358 194 c CA 0.124 56.485 56.329 0.053 0.000 1.747 194 c CB -1.435 41.241 42.510 0.277 0.000 2.037 194 c HN 0.703 nan 8.230 nan 0.000 0.503 195 G N -0.267 108.671 108.800 0.229 0.000 2.829 195 G HA2 0.424 4.384 3.960 0.001 0.000 0.173 195 G HA3 0.424 4.384 3.960 0.001 0.000 0.173 195 G C -0.719 174.263 174.900 0.137 0.000 1.476 195 G CA 0.232 45.456 45.100 0.207 0.000 1.072 195 G HN 0.357 nan 8.290 nan 0.000 0.577 196 T N 0.808 115.429 114.554 0.111 0.000 2.792 196 T HA 0.533 4.884 4.350 0.001 0.000 0.280 196 T C -0.805 174.007 174.700 0.188 0.000 0.990 196 T CA -0.325 61.875 62.100 0.166 0.000 0.960 196 T CB 0.976 69.977 68.868 0.222 0.000 0.939 196 T HN 0.709 nan 8.240 nan 0.000 0.439 197 H N 0.515 119.662 119.070 0.128 0.000 2.851 197 H HA 0.802 5.358 4.556 0.000 0.000 0.372 197 H C -1.285 174.194 175.328 0.252 0.000 1.158 197 H CA -1.143 55.001 56.048 0.160 0.000 1.159 197 H CB 1.376 31.177 29.762 0.063 0.000 1.757 197 H HN 0.659 nan 8.280 nan 0.000 0.546 198 A N 3.149 126.122 122.820 0.255 0.000 2.295 198 A HA 0.443 4.763 4.320 0.001 0.000 0.318 198 A C -1.667 175.975 177.584 0.096 0.000 1.134 198 A CA -1.764 50.325 52.037 0.087 0.000 0.827 198 A CB 0.762 19.841 19.000 0.132 0.000 1.136 198 A HN 0.684 nan 8.150 nan 0.000 0.493 199 P HA -0.028 nan 4.420 nan 0.000 0.220 199 P C -0.394 177.072 177.300 0.277 0.000 1.148 199 P CA 1.646 64.846 63.100 0.165 0.000 0.803 199 P CB -0.230 31.539 31.700 0.115 0.000 0.782 200 Y N -4.123 116.216 120.300 0.064 0.000 2.702 200 Y HA 0.650 5.201 4.550 0.002 0.000 0.336 200 Y C -1.094 174.738 175.900 -0.112 0.000 1.203 200 Y CA -1.727 56.385 58.100 0.020 0.000 1.072 200 Y CB 0.519 38.995 38.460 0.026 0.000 1.327 200 Y HN -0.277 nan 8.280 nan 0.000 0.456 201 M N 2.983 122.598 119.600 0.026 0.000 2.393 201 M HA 0.529 5.010 4.480 0.001 0.000 0.316 201 M C -1.119 175.190 176.300 0.014 0.000 1.087 201 M CA -0.875 54.273 55.300 -0.253 0.000 0.937 201 M CB 2.019 34.406 32.600 -0.356 0.000 1.668 201 M HN 0.926 nan 8.290 nan 0.000 0.438 202 R N 6.121 126.625 120.500 0.006 0.000 2.265 202 R HA 0.500 4.841 4.340 0.001 0.000 0.314 202 R C -2.543 173.820 176.300 0.105 0.000 1.053 202 R CA -1.299 54.869 56.100 0.112 0.000 0.931 202 R CB 0.864 31.241 30.300 0.129 0.000 1.024 202 R HN 0.385 nan 8.270 nan 0.000 0.457 203 P HA 0.068 nan 4.420 nan 0.000 0.289 203 P C -0.596 176.816 177.300 0.186 0.000 1.299 203 P CA -0.395 62.802 63.100 0.162 0.000 0.766 203 P CB 0.670 32.482 31.700 0.186 0.000 1.226 204 V N -3.032 117.005 119.914 0.204 0.000 2.966 204 V HA 0.442 4.563 4.120 0.001 0.000 0.317 204 V C -0.312 175.898 176.094 0.193 0.000 1.070 204 V CA -1.068 61.369 62.300 0.230 0.000 1.008 204 V CB 0.758 32.740 31.823 0.265 0.000 1.070 204 V HN 0.474 nan 8.190 nan 0.000 0.457 205 Y N 3.044 123.360 120.300 0.028 0.000 2.310 205 Y HA 0.637 5.187 4.550 0.001 0.000 0.326 205 Y C -2.333 173.418 175.900 -0.249 0.000 1.151 205 Y CA -2.230 55.800 58.100 -0.116 0.000 1.195 205 Y CB 1.864 40.205 38.460 -0.198 0.000 1.210 205 Y HN 0.547 nan 8.280 nan 0.000 0.483 206 P HA 0.073 nan 4.420 nan 0.000 0.275 206 P C -0.611 176.473 177.300 -0.361 0.000 1.228 206 P CA -0.293 62.099 63.100 -1.180 0.000 0.786 206 P CB 0.616 31.768 31.700 -0.914 0.000 0.927 207 T N -0.161 114.277 114.554 -0.193 0.000 4.309 207 T HA 0.250 4.601 4.350 0.001 0.000 0.242 207 T C 0.229 174.913 174.700 -0.027 0.000 1.142 207 T CA -0.334 61.775 62.100 0.015 0.000 1.042 207 T CB -0.817 68.130 68.868 0.131 0.000 1.366 207 T HN 0.197 nan 8.240 nan 0.000 0.942 208 K N 0.172 120.572 120.400 -0.000 0.000 2.346 208 K HA 0.451 4.772 4.320 0.001 0.000 0.238 208 K C 0.938 177.697 176.600 0.265 0.000 1.039 208 K CA -0.986 55.347 56.287 0.077 0.000 0.861 208 K CB 1.280 33.804 32.500 0.041 0.000 1.278 208 K HN -0.010 nan 8.250 nan 0.000 0.460 209 T N 0.575 115.357 114.554 0.380 0.000 2.701 209 T HA -0.088 4.263 4.350 0.001 0.000 0.263 209 T C 1.704 176.569 174.700 0.275 0.000 1.040 209 T CA 1.551 63.881 62.100 0.382 0.000 1.147 209 T CB -0.271 68.816 68.868 0.365 0.000 0.865 209 T HN 0.350 nan 8.240 nan 0.000 0.426 210 F N 1.456 121.522 119.950 0.192 0.000 2.095 210 F HA 0.009 4.538 4.527 0.002 0.000 0.298 210 F C -0.558 175.358 175.800 0.193 0.000 1.104 210 F CA 1.003 59.113 58.000 0.182 0.000 1.232 210 F CB -1.545 37.542 39.000 0.144 0.000 0.987 210 F HN 0.191 nan 8.300 nan 0.000 0.475 211 P HA -0.143 nan 4.420 nan 0.000 0.216 211 P C 1.164 178.681 177.300 0.362 0.000 1.150 211 P CA 1.565 64.884 63.100 0.366 0.000 0.837 211 P CB -0.017 31.822 31.700 0.232 0.000 0.786 212 N N -0.869 118.002 118.700 0.285 0.000 2.207 212 N HA -0.014 4.727 4.740 0.001 0.000 0.182 212 N C 1.762 177.402 175.510 0.218 0.000 1.020 212 N CA 0.961 54.163 53.050 0.253 0.000 0.858 212 N CB -0.475 38.160 38.487 0.246 0.000 0.991 212 N HN 0.155 nan 8.380 nan 0.000 0.427 213 L N -0.200 121.141 121.223 0.196 0.000 2.046 213 L HA -0.190 4.151 4.340 0.001 0.000 0.208 213 L C 2.293 179.305 176.870 0.237 0.000 1.077 213 L CA 1.241 56.184 54.840 0.172 0.000 0.747 213 L CB -0.529 41.568 42.059 0.063 0.000 0.896 213 L HN 0.220 nan 8.230 nan 0.000 0.432 214 Y N 0.223 120.563 120.300 0.067 0.000 2.373 214 Y HA -0.228 4.323 4.550 0.002 0.000 0.293 214 Y C 2.693 178.476 175.900 -0.195 0.000 1.129 214 Y CA 1.300 59.362 58.100 -0.064 0.000 1.226 214 Y CB 0.149 38.493 38.460 -0.193 0.000 1.000 214 Y HN 0.084 nan 8.280 nan 0.000 0.549 215 T N 0.964 115.523 114.554 0.009 0.000 2.708 215 T HA -0.213 4.138 4.350 0.001 0.000 0.266 215 T C 1.884 176.589 174.700 0.008 0.000 1.037 215 T CA 1.647 63.797 62.100 0.083 0.000 1.146 215 T CB -0.484 68.540 68.868 0.261 0.000 0.865 215 T HN 0.281 nan 8.240 nan 0.000 0.435 216 L N 0.728 122.006 121.223 0.092 0.000 2.043 216 L HA -0.191 4.150 4.340 0.001 0.000 0.212 216 L C 2.906 179.840 176.870 0.105 0.000 1.075 216 L CA 1.505 56.424 54.840 0.131 0.000 0.752 216 L CB -0.571 41.601 42.059 0.189 0.000 0.891 216 L HN 0.250 nan 8.230 nan 0.000 0.432 217 A N -0.906 121.935 122.820 0.036 0.000 2.066 217 A HA -0.127 4.194 4.320 0.001 0.000 0.218 217 A C 2.180 179.571 177.584 -0.320 0.000 1.157 217 A CA 1.869 53.889 52.037 -0.029 0.000 0.670 217 A CB -0.508 18.498 19.000 0.011 0.000 0.804 217 A HN 0.546 nan 8.150 nan 0.000 0.453 218 T N -6.446 107.778 114.554 -0.550 0.000 2.958 218 T HA 0.419 4.770 4.350 0.001 0.000 0.256 218 T C 1.398 175.492 174.700 -1.009 0.000 0.983 218 T CA 1.081 62.619 62.100 -0.938 0.000 0.924 218 T CB 0.216 68.566 68.868 -0.863 0.000 1.136 218 T HN 1.613 nan 8.240 nan 0.000 0.506 219 G N 1.625 110.135 108.800 -0.483 0.000 2.155 219 G HA2 -0.210 3.751 3.960 0.001 0.000 0.257 219 G HA3 -0.210 3.751 3.960 0.001 0.000 0.257 219 G C -0.135 174.565 174.900 -0.334 0.000 0.983 219 G CA 0.529 45.444 45.100 -0.309 0.000 0.676 219 G HN 0.657 nan 8.290 nan 0.000 0.528 220 L N -0.488 120.570 121.223 -0.276 0.000 2.334 220 L HA 0.621 4.962 4.340 0.001 0.000 0.273 220 L C 0.626 177.413 176.870 -0.138 0.000 1.013 220 L CA -1.699 52.999 54.840 -0.237 0.000 0.816 220 L CB 0.959 42.949 42.059 -0.115 0.000 1.278 220 L HN 0.050 nan 8.230 nan 0.000 0.431 221 Y N 1.969 122.222 120.300 -0.078 0.000 2.578 221 Y HA 0.035 4.586 4.550 0.001 0.000 0.339 221 Y C -1.400 174.288 175.900 -0.354 0.000 1.231 221 Y CA -1.594 56.449 58.100 -0.096 0.000 1.461 221 Y CB -0.231 38.190 38.460 -0.064 0.000 1.323 221 Y HN 0.433 nan 8.280 nan 0.000 0.590 222 P HA -0.218 nan 4.420 nan 0.000 0.217 222 P C 1.053 178.136 177.300 -0.362 0.000 1.148 222 P CA 2.192 64.861 63.100 -0.719 0.000 0.828 222 P CB 0.102 31.776 31.700 -0.044 0.000 0.783 223 E N -1.319 118.822 120.200 -0.099 0.000 2.268 223 E HA -0.083 4.268 4.350 0.001 0.000 0.195 223 E C 1.454 178.006 176.600 -0.080 0.000 0.995 223 E CA 1.154 57.495 56.400 -0.097 0.000 0.836 223 E CB -0.600 29.063 29.700 -0.062 0.000 0.763 223 E HN 0.130 nan 8.360 nan 0.000 0.491 224 S N 0.493 116.150 115.700 -0.072 0.000 2.460 224 S HA -0.031 4.439 4.470 0.001 0.000 0.226 224 S C 1.599 176.204 174.600 0.007 0.000 1.057 224 S CA 0.600 58.779 58.200 -0.034 0.000 0.948 224 S CB -0.137 63.053 63.200 -0.017 0.000 0.822 224 S HN 0.666 nan 8.310 nan 0.000 0.512 225 H N 0.251 119.350 119.070 0.047 0.000 2.524 225 H HA 0.341 4.898 4.556 0.001 0.000 0.282 225 H C 1.468 176.882 175.328 0.144 0.000 1.016 225 H CA 1.096 57.213 56.048 0.115 0.000 1.270 225 H CB -0.657 29.189 29.762 0.140 0.000 1.394 225 H HN 0.392 nan 8.280 nan 0.000 0.568 226 G N 0.444 109.326 108.800 0.138 0.000 2.213 226 G HA2 -0.242 3.718 3.960 0.001 0.000 0.236 226 G HA3 -0.242 3.718 3.960 0.001 0.000 0.236 226 G C 0.130 175.022 174.900 -0.013 0.000 0.991 226 G CA 0.143 45.273 45.100 0.048 0.000 0.629 226 G HN 0.324 nan 8.290 nan 0.000 0.517 227 I N 3.371 124.045 120.570 0.173 0.000 2.206 227 I HA 0.248 4.419 4.170 0.001 0.000 0.292 227 I C 1.925 178.056 176.117 0.023 0.000 1.156 227 I CA 0.016 61.237 61.300 -0.131 0.000 1.356 227 I CB 0.132 38.037 38.000 -0.159 0.000 1.494 227 I HN 0.342 nan 8.210 nan 0.000 0.601 228 V N 2.158 122.026 119.914 -0.077 0.000 3.541 228 V HA 0.553 4.674 4.120 0.001 0.000 0.267 228 V C 0.786 176.935 176.094 0.093 0.000 1.213 228 V CA 0.555 62.895 62.300 0.066 0.000 1.149 228 V CB -0.184 31.633 31.823 -0.011 0.000 0.822 228 V HN 0.594 nan 8.190 nan 0.000 0.462 229 G N -0.685 108.079 108.800 -0.060 0.000 2.623 229 G HA2 0.334 4.295 3.960 0.001 0.000 0.290 229 G HA3 0.334 4.295 3.960 0.001 0.000 0.290 229 G C -0.418 174.410 174.900 -0.119 0.000 1.437 229 G CA -0.214 44.850 45.100 -0.060 0.000 0.798 229 G HN -0.095 nan 8.290 nan 0.000 0.488 230 N N -0.365 118.312 118.700 -0.038 0.000 2.289 230 N HA 0.009 4.750 4.740 0.001 0.000 0.184 230 N C 0.613 176.059 175.510 -0.106 0.000 1.016 230 N CA 1.031 54.045 53.050 -0.059 0.000 0.872 230 N CB 0.147 38.659 38.487 0.042 0.000 0.973 230 N HN 0.320 nan 8.380 nan 0.000 0.433 231 S N -0.008 115.640 115.700 -0.086 0.000 2.521 231 S HA 0.717 5.188 4.470 0.001 0.000 0.295 231 S C -0.396 174.116 174.600 -0.145 0.000 1.098 231 S CA -0.759 57.383 58.200 -0.097 0.000 0.999 231 S CB 2.000 65.192 63.200 -0.013 0.000 1.034 231 S HN 0.111 nan 8.310 nan 0.000 0.483 232 M N 1.995 121.476 119.600 -0.198 0.000 2.603 232 M HA 0.524 5.005 4.480 0.001 0.000 0.275 232 M C -1.933 174.383 176.300 0.027 0.000 1.226 232 M CA -1.002 54.236 55.300 -0.104 0.000 0.870 232 M CB 1.618 34.123 32.600 -0.159 0.000 1.716 232 M HN 0.581 nan 8.290 nan 0.000 0.482 233 Y N 1.078 121.373 120.300 -0.008 0.000 2.335 233 Y HA 0.499 5.050 4.550 0.001 0.000 0.338 233 Y C -1.320 174.631 175.900 0.086 0.000 0.977 233 Y CA -0.529 57.611 58.100 0.067 0.000 1.114 233 Y CB 1.195 39.657 38.460 0.003 0.000 1.182 233 Y HN 0.748 nan 8.280 nan 0.000 0.463 234 D N 8.737 128.861 120.400 -0.461 0.000 2.373 234 D HA 0.238 4.879 4.640 0.001 0.000 0.227 234 D C -2.045 173.688 176.300 -0.945 0.000 1.091 234 D CA -2.193 51.416 54.000 -0.651 0.000 0.840 234 D CB 2.289 42.569 40.800 -0.867 0.000 1.060 234 D HN 0.376 nan 8.370 nan 0.000 0.502 235 P HA -0.083 nan 4.420 nan 0.000 0.223 235 P C 1.484 178.628 177.300 -0.260 0.000 1.151 235 P CA 0.303 63.158 63.100 -0.408 0.000 0.787 235 P CB 0.687 32.325 31.700 -0.104 0.000 0.788 236 V N -0.835 118.878 119.914 -0.336 0.000 2.379 236 V HA -0.139 3.982 4.120 0.001 0.000 0.243 236 V C 2.328 178.381 176.094 -0.067 0.000 1.035 236 V CA 1.466 63.641 62.300 -0.209 0.000 1.035 236 V CB -1.419 30.252 31.823 -0.254 0.000 0.673 236 V HN -0.096 nan 8.190 nan 0.000 0.457 237 F N 0.416 120.208 119.950 -0.264 0.000 2.269 237 F HA 0.001 4.529 4.527 0.001 0.000 0.301 237 F C 1.414 177.128 175.800 -0.144 0.000 1.082 237 F CA 0.740 58.599 58.000 -0.235 0.000 1.360 237 F CB -1.189 37.595 39.000 -0.360 0.000 1.041 237 F HN 0.339 nan 8.300 nan 0.000 0.512 238 D N 0.023 120.406 120.400 -0.028 0.000 2.735 238 D HA -0.073 4.568 4.640 0.001 0.000 0.235 238 D C -0.347 176.066 176.300 0.188 0.000 1.175 238 D CA 0.759 54.794 54.000 0.059 0.000 0.683 238 D CB -0.848 40.040 40.800 0.146 0.000 1.008 238 D HN 0.436 nan 8.370 nan 0.000 0.416 239 A N 0.159 123.068 122.820 0.149 0.000 2.587 239 A HA 0.800 5.120 4.320 0.001 0.000 0.293 239 A C -0.322 177.541 177.584 0.466 0.000 1.087 239 A CA -0.412 51.834 52.037 0.348 0.000 0.692 239 A CB 1.968 21.203 19.000 0.392 0.000 1.291 239 A HN 0.145 nan 8.150 nan 0.000 0.407 240 T N 1.106 115.890 114.554 0.384 0.000 2.824 240 T HA 0.525 4.875 4.350 0.001 0.000 0.282 240 T C -1.017 173.611 174.700 -0.120 0.000 0.993 240 T CA -0.021 62.178 62.100 0.165 0.000 0.967 240 T CB 0.651 69.548 68.868 0.049 0.000 0.960 240 T HN 0.506 nan 8.240 nan 0.000 0.441 241 F N 4.585 124.125 119.950 -0.683 0.000 2.410 241 F HA 0.486 5.014 4.527 0.001 0.000 0.349 241 F C 0.073 175.383 175.800 -0.817 0.000 1.117 241 F CA -0.336 57.058 58.000 -1.010 0.000 1.104 241 F CB 0.515 38.482 39.000 -1.721 0.000 1.122 241 F HN 0.526 nan 8.300 nan 0.000 0.483 242 H N 6.330 125.053 119.070 -0.578 0.000 2.821 242 H HA 0.300 4.857 4.556 0.001 0.000 0.373 242 H C 0.805 175.753 175.328 -0.633 0.000 1.165 242 H CA -0.589 55.210 56.048 -0.415 0.000 1.154 242 H CB 2.242 31.851 29.762 -0.254 0.000 1.765 242 H HN 0.688 nan 8.280 nan 0.000 0.549 243 L N 0.860 121.903 121.223 -0.300 0.000 1.997 243 L HA -0.218 4.123 4.340 0.001 0.000 0.216 243 L C 1.747 178.513 176.870 -0.175 0.000 1.074 243 L CA 2.064 56.728 54.840 -0.293 0.000 0.763 243 L CB -0.361 41.677 42.059 -0.035 0.000 0.890 243 L HN 0.565 nan 8.230 nan 0.000 0.434 244 R N 0.585 121.018 120.500 -0.112 0.000 2.410 244 R HA 0.559 4.900 4.340 0.001 0.000 0.288 244 R C 0.419 176.667 176.300 -0.086 0.000 1.051 244 R CA 0.142 56.198 56.100 -0.073 0.000 1.021 244 R CB 0.014 30.270 30.300 -0.073 0.000 1.032 244 R HN 0.465 nan 8.270 nan 0.000 0.481 245 G N -1.528 107.250 108.800 -0.037 0.000 2.612 245 G HA2 0.376 4.337 3.960 0.001 0.000 0.686 245 G HA3 0.376 4.337 3.960 0.001 0.000 0.686 245 G C 0.552 175.464 174.900 0.021 0.000 1.274 245 G CA 0.473 45.565 45.100 -0.014 0.000 0.849 245 G HN 1.629 nan 8.290 nan 0.000 0.595 246 R N -0.294 120.248 120.500 0.071 0.000 2.254 246 R HA 0.414 4.755 4.340 0.001 0.000 0.195 246 R C 2.092 178.503 176.300 0.185 0.000 0.957 246 R CA 1.864 58.093 56.100 0.214 0.000 1.024 246 R CB -0.695 29.652 30.300 0.079 0.000 0.952 246 R HN 0.993 nan 8.270 nan 0.000 0.484 247 E N 2.362 122.579 120.200 0.029 0.000 2.130 247 E HA -0.238 4.112 4.350 0.001 0.000 0.196 247 E C 1.932 178.491 176.600 -0.068 0.000 0.998 247 E CA 2.188 58.614 56.400 0.043 0.000 0.806 247 E CB -0.143 29.565 29.700 0.013 0.000 0.738 247 E HN 0.764 nan 8.360 nan 0.000 0.459 248 K N -0.794 119.303 120.400 -0.504 0.000 2.280 248 K HA -0.147 4.174 4.320 0.001 0.000 0.202 248 K C 1.610 178.218 176.600 0.013 0.000 1.047 248 K CA 1.369 57.227 56.287 -0.716 0.000 0.942 248 K CB -0.479 31.270 32.500 -1.251 0.000 0.739 248 K HN 0.123 nan 8.250 nan 0.000 0.457 249 F N 1.814 121.841 119.950 0.129 0.000 2.502 249 F HA 0.016 4.543 4.527 0.001 0.000 0.298 249 F C 1.058 177.104 175.800 0.409 0.000 1.111 249 F CA -0.047 58.079 58.000 0.210 0.000 1.445 249 F CB -0.427 38.561 39.000 -0.019 0.000 1.081 249 F HN 0.094 nan 8.300 nan 0.000 0.558 250 N N 0.740 119.789 118.700 0.581 0.000 2.468 250 N HA -0.090 4.651 4.740 0.001 0.000 0.265 250 N C 1.057 177.022 175.510 0.757 0.000 1.199 250 N CA 0.490 53.869 53.050 0.548 0.000 0.928 250 N CB 0.188 38.928 38.487 0.421 0.000 1.059 250 N HN 0.389 nan 8.380 nan 0.000 0.467 251 H N 2.850 122.147 119.070 0.379 0.000 2.521 251 H HA -0.093 4.464 4.556 0.002 0.000 0.286 251 H C 1.526 177.085 175.328 0.384 0.000 1.034 251 H CA 0.617 56.908 56.048 0.406 0.000 1.278 251 H CB 0.633 30.529 29.762 0.223 0.000 1.386 251 H HN 0.641 nan 8.280 nan 0.000 0.567 252 R N 0.590 121.266 120.500 0.293 0.000 2.159 252 R HA -0.164 4.176 4.340 0.001 0.000 0.237 252 R C 1.151 177.506 176.300 0.093 0.000 1.131 252 R CA 1.486 57.606 56.100 0.035 0.000 0.982 252 R CB -0.686 29.354 30.300 -0.432 0.000 0.868 252 R HN 0.334 nan 8.270 nan 0.000 0.453 253 W N 0.304 121.751 121.300 0.245 0.000 2.519 253 W HA 0.072 4.733 4.660 0.001 0.000 0.266 253 W C -0.024 176.382 176.519 -0.188 0.000 1.253 253 W CA -0.265 57.078 57.345 -0.003 0.000 1.274 253 W CB -0.063 29.253 29.460 -0.240 0.000 1.114 253 W HN 0.025 nan 8.180 nan 0.000 0.596 254 W N 1.253 122.697 121.300 0.241 0.000 2.283 254 W HA 0.577 5.237 4.660 0.001 0.000 0.317 254 W C 0.626 177.249 176.519 0.174 0.000 1.042 254 W CA -0.961 56.435 57.345 0.085 0.000 1.348 254 W CB 0.168 29.567 29.460 -0.101 0.000 1.216 254 W HN -0.255 nan 8.180 nan 0.000 0.404 255 G N 1.157 110.206 108.800 0.415 0.000 2.537 255 G HA2 0.618 4.579 3.960 0.001 0.000 0.297 255 G HA3 0.618 4.579 3.960 0.001 0.000 0.297 255 G C 0.569 175.618 174.900 0.247 0.000 1.310 255 G CA 0.055 45.327 45.100 0.286 0.000 1.027 255 G HN 0.925 nan 8.290 nan 0.000 0.505 256 G N -1.189 107.657 108.800 0.077 0.000 2.601 256 G HA2 -0.113 3.848 3.960 0.001 0.000 0.261 256 G HA3 -0.113 3.848 3.960 0.001 0.000 0.261 256 G C 0.031 174.856 174.900 -0.124 0.000 1.289 256 G CA 0.604 45.662 45.100 -0.070 0.000 0.920 256 G HN 1.039 nan 8.290 nan 0.000 0.571 257 Q N 0.533 120.164 119.800 -0.283 0.000 2.444 257 Q HA 0.469 4.810 4.340 0.001 0.000 0.251 257 Q C -2.570 173.130 176.000 -0.499 0.000 0.939 257 Q CA -1.815 53.806 55.803 -0.303 0.000 0.740 257 Q CB 2.462 31.081 28.738 -0.197 0.000 1.308 257 Q HN 0.571 nan 8.270 nan 0.000 0.461 258 P HA -0.018 nan 4.420 nan 0.000 0.274 258 P C 0.643 177.439 177.300 -0.840 0.000 1.237 258 P CA -0.397 62.091 63.100 -1.019 0.000 0.793 258 P CB 1.102 31.762 31.700 -1.734 0.000 0.977 259 L N 1.884 122.796 121.223 -0.517 0.000 2.081 259 L HA -0.146 4.195 4.340 0.001 0.000 0.212 259 L C 2.363 179.043 176.870 -0.317 0.000 1.080 259 L CA 1.945 56.671 54.840 -0.190 0.000 0.754 259 L CB -1.468 40.590 42.059 -0.001 0.000 0.893 259 L HN 0.582 nan 8.230 nan 0.000 0.433 260 W N -1.246 119.738 121.300 -0.526 0.000 2.363 260 W HA -0.094 4.567 4.660 0.001 0.000 0.296 260 W C 1.954 178.327 176.519 -0.244 0.000 1.212 260 W CA 0.533 57.582 57.345 -0.493 0.000 1.260 260 W CB -0.919 28.122 29.460 -0.697 0.000 1.131 260 W HN -0.020 nan 8.180 nan 0.000 0.530 261 I N 1.366 121.647 120.570 -0.482 0.000 2.286 261 I HA -0.201 3.969 4.170 0.001 0.000 0.245 261 I C 2.246 178.264 176.117 -0.165 0.000 1.104 261 I CA 1.762 62.909 61.300 -0.255 0.000 1.397 261 I CB -1.842 35.965 38.000 -0.322 0.000 1.072 261 I HN 0.092 nan 8.210 nan 0.000 0.417 262 T N 1.549 115.993 114.554 -0.184 0.000 2.746 262 T HA -0.131 4.219 4.350 0.001 0.000 0.267 262 T C 2.093 176.745 174.700 -0.080 0.000 1.039 262 T CA 1.625 63.667 62.100 -0.097 0.000 1.142 262 T CB -0.279 68.559 68.868 -0.051 0.000 0.866 262 T HN 0.441 nan 8.240 nan 0.000 0.444 263 A N 1.365 124.136 122.820 -0.081 0.000 1.858 263 A HA -0.148 4.173 4.320 0.001 0.000 0.216 263 A C 2.590 180.150 177.584 -0.040 0.000 1.190 263 A CA 2.235 54.243 52.037 -0.049 0.000 0.617 263 A CB -1.369 17.617 19.000 -0.022 0.000 0.827 263 A HN 0.464 nan 8.150 nan 0.000 0.443 264 T N -0.061 114.471 114.554 -0.036 0.000 2.720 264 T HA -0.137 4.214 4.350 0.001 0.000 0.268 264 T C 1.893 176.575 174.700 -0.030 0.000 1.037 264 T CA 1.745 63.827 62.100 -0.029 0.000 1.144 264 T CB -0.222 68.638 68.868 -0.013 0.000 0.864 264 T HN 0.509 nan 8.240 nan 0.000 0.444 265 K N 0.760 121.139 120.400 -0.035 0.000 2.209 265 K HA -0.022 4.298 4.320 0.001 0.000 0.204 265 K C 1.886 178.471 176.600 -0.025 0.000 1.048 265 K CA 0.939 57.209 56.287 -0.029 0.000 0.940 265 K CB -0.010 32.469 32.500 -0.033 0.000 0.729 265 K HN 0.428 nan 8.250 nan 0.000 0.451 266 Q N -0.503 119.280 119.800 -0.029 0.000 2.222 266 Q HA 0.114 4.455 4.340 0.001 0.000 0.206 266 Q C 0.258 176.246 176.000 -0.021 0.000 0.877 266 Q CA 0.102 55.891 55.803 -0.023 0.000 0.958 266 Q CB 1.076 29.798 28.738 -0.026 0.000 1.075 266 Q HN 0.426 nan 8.270 nan 0.000 0.483 267 G N 0.568 109.353 108.800 -0.024 0.000 2.198 267 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 267 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 267 G C -0.068 174.817 174.900 -0.026 0.000 1.025 267 G CA 0.067 45.153 45.100 -0.024 0.000 0.769 267 G HN 0.253 nan 8.290 nan 0.000 0.507 268 V N 0.435 120.332 119.914 -0.028 0.000 2.417 268 V HA 0.538 4.659 4.120 0.001 0.000 0.291 268 V C 0.812 176.882 176.094 -0.040 0.000 1.024 268 V CA -0.877 61.406 62.300 -0.028 0.000 0.861 268 V CB 1.620 33.432 31.823 -0.018 0.000 0.985 268 V HN 0.512 nan 8.190 nan 0.000 0.436 269 R N 3.476 123.941 120.500 -0.059 0.000 2.441 269 R HA 0.693 5.034 4.340 0.001 0.000 0.284 269 R C -0.244 175.982 176.300 -0.124 0.000 1.070 269 R CA -0.088 55.956 56.100 -0.094 0.000 1.047 269 R CB 1.038 31.269 30.300 -0.116 0.000 1.016 269 R HN 0.837 nan 8.270 nan 0.000 0.477 270 A N 2.863 125.607 122.820 -0.127 0.000 2.350 270 A HA 0.607 4.927 4.320 0.001 0.000 0.324 270 A C 0.023 177.447 177.584 -0.266 0.000 1.118 270 A CA -0.486 51.488 52.037 -0.105 0.000 0.783 270 A CB 1.564 20.613 19.000 0.082 0.000 1.236 270 A HN 0.898 nan 8.150 nan 0.000 0.457 271 G N -0.104 108.455 108.800 -0.402 0.000 2.611 271 G HA2 0.421 4.382 3.960 0.001 0.000 0.273 271 G HA3 0.421 4.382 3.960 0.001 0.000 0.273 271 G C 0.420 175.171 174.900 -0.248 0.000 1.305 271 G CA 0.336 45.112 45.100 -0.540 0.000 1.010 271 G HN 0.852 nan 8.290 nan 0.000 0.509 272 T N -0.986 113.383 114.554 -0.308 0.000 2.926 272 T HA 0.207 4.558 4.350 0.001 0.000 0.307 272 T C 0.131 174.660 174.700 -0.285 0.000 1.059 272 T CA 0.060 61.970 62.100 -0.316 0.000 1.122 272 T CB -0.001 68.570 68.868 -0.495 0.000 0.972 272 T HN 0.231 nan 8.240 nan 0.000 0.545 273 F N 2.498 122.078 119.950 -0.617 0.000 2.654 273 F HA 0.405 4.932 4.527 0.001 0.000 0.303 273 F C 0.627 176.090 175.800 -0.562 0.000 1.099 273 F CA -0.489 57.179 58.000 -0.553 0.000 1.270 273 F CB 0.162 38.669 39.000 -0.822 0.000 1.024 273 F HN 0.594 nan 8.300 nan 0.000 0.548 274 F N -0.961 118.694 119.950 -0.491 0.000 2.547 274 F HA 0.706 5.234 4.527 0.001 0.000 0.316 274 F C -1.286 174.247 175.800 -0.446 0.000 1.121 274 F CA -1.630 56.149 58.000 -0.369 0.000 0.911 274 F CB 0.133 38.967 39.000 -0.277 0.000 1.179 274 F HN 0.008 nan 8.300 nan 0.000 0.443 275 W N 1.787 123.055 121.300 -0.052 0.000 2.739 275 W HA 0.598 5.259 4.660 0.001 0.000 0.331 275 W C 0.081 176.633 176.519 0.055 0.000 1.049 275 W CA -0.933 56.422 57.345 0.018 0.000 1.234 275 W CB 2.323 31.752 29.460 -0.051 0.000 1.404 275 W HN 0.772 nan 8.180 nan 0.000 0.477 276 S N 1.338 117.245 115.700 0.345 0.000 2.562 276 S HA -0.020 4.451 4.470 0.001 0.000 0.281 276 S C 1.309 176.057 174.600 0.246 0.000 1.333 276 S CA -0.413 57.942 58.200 0.259 0.000 1.052 276 S CB 0.946 64.297 63.200 0.253 0.000 0.884 276 S HN 0.577 nan 8.310 nan 0.000 0.506 277 V N 2.238 122.265 119.914 0.189 0.000 2.688 277 V HA -0.115 4.006 4.120 0.001 0.000 0.256 277 V C 1.927 178.100 176.094 0.132 0.000 1.084 277 V CA 2.015 64.410 62.300 0.158 0.000 1.103 277 V CB -1.199 30.702 31.823 0.131 0.000 0.688 277 V HN 0.906 nan 8.190 nan 0.000 0.480 278 S N -0.066 115.723 115.700 0.150 0.000 2.561 278 S HA 0.258 4.729 4.470 0.001 0.000 0.225 278 S C 0.723 175.413 174.600 0.151 0.000 0.977 278 S CA 0.102 58.383 58.200 0.134 0.000 0.926 278 S CB -0.859 62.429 63.200 0.147 0.000 0.769 278 S HN 0.635 nan 8.310 nan 0.000 0.533 279 I N 4.111 124.791 120.570 0.184 0.000 2.297 279 I HA 0.338 4.508 4.170 0.001 0.000 0.291 279 I C -2.247 173.905 176.117 0.059 0.000 1.033 279 I CA -2.693 58.716 61.300 0.181 0.000 1.253 279 I CB 1.220 39.407 38.000 0.312 0.000 1.396 279 I HN 0.069 nan 8.210 nan 0.000 0.476 280 P HA 0.015 nan 4.420 nan 0.000 0.270 280 P C 0.380 177.570 177.300 -0.183 0.000 1.223 280 P CA 0.187 63.214 63.100 -0.121 0.000 0.785 280 P CB 0.629 32.241 31.700 -0.147 0.000 0.923 281 H N 0.423 119.302 119.070 -0.319 0.000 2.387 281 H HA -0.164 4.393 4.556 0.001 0.000 0.299 281 H C 1.589 176.669 175.328 -0.413 0.000 1.099 281 H CA 1.250 57.136 56.048 -0.269 0.000 1.315 281 H CB 0.108 29.809 29.762 -0.102 0.000 1.380 281 H HN 0.518 nan 8.280 nan 0.000 0.513 282 E N 0.457 120.314 120.200 -0.571 0.000 2.118 282 E HA -0.177 4.174 4.350 0.001 0.000 0.195 282 E C 2.232 178.389 176.600 -0.738 0.000 0.992 282 E CA 0.840 56.730 56.400 -0.849 0.000 0.804 282 E CB 0.023 28.670 29.700 -1.756 0.000 0.741 282 E HN 0.190 nan 8.360 nan 0.000 0.458 283 R N 1.138 121.185 120.500 -0.755 0.000 2.092 283 R HA 0.007 4.348 4.340 0.001 0.000 0.231 283 R C 1.866 177.896 176.300 -0.450 0.000 1.119 283 R CA 1.424 57.286 56.100 -0.397 0.000 0.970 283 R CB -0.090 30.110 30.300 -0.166 0.000 0.864 283 R HN 0.059 nan 8.270 nan 0.000 0.440 284 R N -0.020 120.144 120.500 -0.561 0.000 2.083 284 R HA -0.090 4.250 4.340 0.001 0.000 0.237 284 R C 2.109 178.033 176.300 -0.626 0.000 1.137 284 R CA 1.598 57.126 56.100 -0.953 0.000 0.951 284 R CB -0.514 29.017 30.300 -1.281 0.000 0.851 284 R HN 0.198 nan 8.270 nan 0.000 0.434 285 I N 1.101 121.416 120.570 -0.424 0.000 2.202 285 I HA -0.226 3.945 4.170 0.001 0.000 0.242 285 I C 2.371 178.322 176.117 -0.277 0.000 1.091 285 I CA 1.416 62.516 61.300 -0.333 0.000 1.368 285 I CB -0.937 36.864 38.000 -0.332 0.000 1.058 285 I HN 0.199 nan 8.210 nan 0.000 0.410 286 L N 0.106 121.170 121.223 -0.265 0.000 2.083 286 L HA -0.217 4.124 4.340 0.001 0.000 0.209 286 L C 2.534 179.244 176.870 -0.266 0.000 1.083 286 L CA 1.404 56.132 54.840 -0.187 0.000 0.752 286 L CB -0.840 41.164 42.059 -0.092 0.000 0.899 286 L HN 0.247 nan 8.230 nan 0.000 0.433 287 T N 0.032 114.331 114.554 -0.425 0.000 2.737 287 T HA -0.127 4.223 4.350 0.001 0.000 0.265 287 T C 1.911 176.159 174.700 -0.754 0.000 1.038 287 T CA 1.259 62.938 62.100 -0.703 0.000 1.144 287 T CB -0.166 68.130 68.868 -0.954 0.000 0.866 287 T HN 0.177 nan 8.240 nan 0.000 0.434 288 I N 0.781 121.105 120.570 -0.410 0.000 2.208 288 I HA -0.159 4.012 4.170 0.001 0.000 0.245 288 I C 2.220 178.277 176.117 -0.099 0.000 1.097 288 I CA 1.258 62.502 61.300 -0.092 0.000 1.363 288 I CB -0.372 37.637 38.000 0.016 0.000 1.051 288 I HN 0.194 nan 8.210 nan 0.000 0.413 289 L N -0.151 120.986 121.223 -0.143 0.000 2.093 289 L HA -0.236 4.105 4.340 0.001 0.000 0.208 289 L C 2.625 179.488 176.870 -0.012 0.000 1.085 289 L CA 1.114 55.905 54.840 -0.081 0.000 0.755 289 L CB -0.496 41.515 42.059 -0.081 0.000 0.904 289 L HN 0.268 nan 8.230 nan 0.000 0.435 290 Q N -0.366 119.399 119.800 -0.059 0.000 2.050 290 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 290 Q C 2.020 178.126 176.000 0.177 0.000 0.980 290 Q CA 1.847 57.656 55.803 0.010 0.000 0.840 290 Q CB -0.198 28.495 28.738 -0.076 0.000 0.898 290 Q HN 0.376 nan 8.270 nan 0.000 0.424 291 W N 0.127 121.516 121.300 0.149 0.000 2.374 291 W HA -0.067 4.594 4.660 0.001 0.000 0.288 291 W C 1.736 178.390 176.519 0.223 0.000 1.218 291 W CA 0.630 58.106 57.345 0.219 0.000 1.245 291 W CB -0.772 28.909 29.460 0.368 0.000 1.126 291 W HN 0.237 nan 8.180 nan 0.000 0.545 292 L N 0.117 121.556 121.223 0.360 0.000 2.376 292 L HA -0.112 4.229 4.340 0.001 0.000 0.219 292 L C 1.910 178.953 176.870 0.287 0.000 1.133 292 L CA 0.877 55.888 54.840 0.285 0.000 0.816 292 L CB -0.503 41.616 42.059 0.101 0.000 0.933 292 L HN -0.212 nan 8.230 nan 0.000 0.449 293 S N -0.621 115.215 115.700 0.226 0.000 2.575 293 S HA 0.215 4.685 4.470 0.001 0.000 0.215 293 S C 0.827 175.529 174.600 0.170 0.000 0.966 293 S CA -0.233 58.079 58.200 0.187 0.000 0.911 293 S CB 0.020 63.299 63.200 0.132 0.000 0.780 293 S HN 0.155 nan 8.310 nan 0.000 0.514 294 L N 2.099 123.436 121.223 0.191 0.000 2.476 294 L HA 0.192 4.532 4.340 0.001 0.000 0.264 294 L C -2.170 174.753 176.870 0.088 0.000 1.224 294 L CA -1.900 53.030 54.840 0.149 0.000 0.821 294 L CB -0.344 41.819 42.059 0.173 0.000 1.101 294 L HN -0.052 nan 8.230 nan 0.000 0.488 295 P HA -0.039 nan 4.420 nan 0.000 0.266 295 P C -0.103 177.190 177.300 -0.011 0.000 1.193 295 P CA -0.061 63.057 63.100 0.029 0.000 0.770 295 P CB 0.398 32.115 31.700 0.028 0.000 0.836 296 D N 1.715 122.093 120.400 -0.037 0.000 2.191 296 D HA -0.196 4.445 4.640 0.001 0.000 0.195 296 D C 1.241 177.499 176.300 -0.070 0.000 1.003 296 D CA 1.529 55.475 54.000 -0.090 0.000 0.867 296 D CB -0.435 40.324 40.800 -0.069 0.000 0.926 296 D HN 0.515 nan 8.370 nan 0.000 0.450 297 N N 0.092 118.770 118.700 -0.037 0.000 2.398 297 N HA -0.063 4.678 4.740 0.001 0.000 0.188 297 N C 0.791 176.282 175.510 -0.031 0.000 1.122 297 N CA 0.339 53.370 53.050 -0.032 0.000 0.866 297 N CB 0.051 38.527 38.487 -0.019 0.000 0.970 297 N HN 0.274 nan 8.380 nan 0.000 0.462 298 E N -0.558 119.626 120.200 -0.026 0.000 2.474 298 E HA 0.101 4.452 4.350 0.001 0.000 0.215 298 E C 0.119 176.700 176.600 -0.033 0.000 0.867 298 E CA -0.450 55.937 56.400 -0.023 0.000 1.135 298 E CB 0.913 30.619 29.700 0.010 0.000 1.147 298 E HN 0.184 nan 8.360 nan 0.000 0.534 299 R N 2.861 123.348 120.500 -0.022 0.000 2.449 299 R HA 0.119 4.459 4.340 0.001 0.000 0.296 299 R C -2.458 173.837 176.300 -0.009 0.000 1.047 299 R CA -1.491 54.623 56.100 0.023 0.000 1.018 299 R CB 0.344 30.633 30.300 -0.019 0.000 0.962 299 R HN -0.198 nan 8.270 nan 0.000 0.428 300 P HA 0.110 nan 4.420 nan 0.000 0.274 300 P C -0.448 176.812 177.300 -0.068 0.000 1.246 300 P CA -0.260 62.724 63.100 -0.192 0.000 0.795 300 P CB 1.112 32.465 31.700 -0.579 0.000 1.006 301 S N -0.762 114.883 115.700 -0.091 0.000 2.483 301 S HA 0.125 4.596 4.470 0.001 0.000 0.221 301 S C 0.590 175.254 174.600 0.108 0.000 1.030 301 S CA 0.014 58.258 58.200 0.073 0.000 0.925 301 S CB 0.248 63.478 63.200 0.050 0.000 0.795 301 S HN 0.341 nan 8.310 nan 0.000 0.511 302 V N 1.399 121.256 119.914 -0.095 0.000 2.735 302 V HA 0.671 4.792 4.120 0.001 0.000 0.310 302 V C -2.122 173.846 176.094 -0.211 0.000 1.061 302 V CA -0.769 61.566 62.300 0.057 0.000 0.913 302 V CB 1.615 33.569 31.823 0.218 0.000 1.005 302 V HN 0.348 nan 8.190 nan 0.000 0.428 303 Y N 3.604 124.000 120.300 0.160 0.000 2.553 303 Y HA 0.849 5.400 4.550 0.002 0.000 0.347 303 Y C 0.141 175.968 175.900 -0.121 0.000 1.019 303 Y CA -0.407 57.749 58.100 0.093 0.000 1.032 303 Y CB 2.472 41.062 38.460 0.216 0.000 1.284 303 Y HN 0.846 nan 8.280 nan 0.000 0.466 304 A N 2.372 125.125 122.820 -0.111 0.000 2.393 304 A HA 0.773 5.094 4.320 0.001 0.000 0.306 304 A C -2.133 175.597 177.584 0.244 0.000 1.050 304 A CA -0.588 51.336 52.037 -0.188 0.000 0.724 304 A CB 1.039 19.518 19.000 -0.868 0.000 1.248 304 A HN 0.643 nan 8.150 nan 0.000 0.424 305 F N 1.922 121.845 119.950 -0.045 0.000 2.532 305 F HA 0.738 5.267 4.527 0.003 0.000 0.321 305 F C -1.347 174.262 175.800 -0.318 0.000 1.089 305 F CA -0.858 56.977 58.000 -0.276 0.000 0.926 305 F CB 1.667 40.264 39.000 -0.671 0.000 1.168 305 F HN 0.653 nan 8.300 nan 0.000 0.459 306 Y N 3.885 123.334 120.300 -1.419 0.000 2.442 306 Y HA 0.592 5.143 4.550 0.001 0.000 0.344 306 Y C -1.402 173.671 175.900 -1.379 0.000 0.976 306 Y CA -0.738 56.776 58.100 -0.976 0.000 1.040 306 Y CB 1.846 40.059 38.460 -0.411 0.000 1.228 306 Y HN 0.635 nan 8.280 nan 0.000 0.451 307 S N 4.332 119.080 115.700 -1.586 0.000 2.502 307 S HA 0.252 4.723 4.470 0.001 0.000 0.304 307 S C 0.349 174.296 174.600 -1.088 0.000 1.097 307 S CA -0.567 56.947 58.200 -1.144 0.000 1.045 307 S CB 0.939 63.901 63.200 -0.398 0.000 1.019 307 S HN 0.850 nan 8.310 nan 0.000 0.481 308 E N 3.568 123.428 120.200 -0.566 0.000 2.482 308 E HA 0.023 4.374 4.350 0.001 0.000 0.196 308 E C -0.184 176.437 176.600 0.034 0.000 1.047 308 E CA 0.433 56.730 56.400 -0.171 0.000 0.869 308 E CB 0.060 29.821 29.700 0.101 0.000 0.836 308 E HN 0.570 nan 8.360 nan 0.000 0.520 309 Q N 1.204 121.032 119.800 0.047 0.000 2.214 309 Q HA 0.239 4.580 4.340 0.001 0.000 0.251 309 Q C -1.901 174.190 176.000 0.152 0.000 0.936 309 Q CA -2.005 53.883 55.803 0.140 0.000 0.894 309 Q CB 1.668 30.501 28.738 0.157 0.000 1.252 309 Q HN 0.040 nan 8.270 nan 0.000 0.448 310 P HA 0.010 nan 4.420 nan 0.000 0.256 310 P C 0.192 177.593 177.300 0.169 0.000 1.384 310 P CA 0.340 63.526 63.100 0.142 0.000 0.879 310 P CB 0.369 32.083 31.700 0.024 0.000 1.403 311 D N 0.096 120.608 120.400 0.186 0.000 2.092 311 D HA -0.234 4.407 4.640 0.001 0.000 0.193 311 D C 1.629 178.118 176.300 0.316 0.000 0.994 311 D CA 1.137 55.266 54.000 0.216 0.000 0.828 311 D CB -0.632 40.331 40.800 0.271 0.000 0.963 311 D HN 0.033 nan 8.370 nan 0.000 0.450 312 F N 0.681 120.769 119.950 0.230 0.000 2.091 312 F HA -0.216 4.312 4.527 0.001 0.000 0.299 312 F C 2.403 178.310 175.800 0.178 0.000 1.103 312 F CA 1.800 59.937 58.000 0.227 0.000 1.228 312 F CB -0.407 38.675 39.000 0.137 0.000 0.984 312 F HN -0.080 nan 8.300 nan 0.000 0.477 313 S N 0.165 116.080 115.700 0.359 0.000 2.402 313 S HA -0.060 4.411 4.470 0.001 0.000 0.229 313 S C 2.249 176.931 174.600 0.137 0.000 1.021 313 S CA 0.901 59.260 58.200 0.263 0.000 0.974 313 S CB -1.039 62.379 63.200 0.363 0.000 0.800 313 S HN 0.647 nan 8.310 nan 0.000 0.484 314 G N 1.732 110.595 108.800 0.106 0.000 2.440 314 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 314 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 314 G C 1.197 176.097 174.900 -0.000 0.000 1.154 314 G CA 0.848 45.983 45.100 0.058 0.000 0.767 314 G HN 0.502 nan 8.290 nan 0.000 0.552 315 H N 0.332 119.413 119.070 0.019 0.000 2.352 315 H HA -0.053 4.504 4.556 0.002 0.000 0.299 315 H C 2.489 177.765 175.328 -0.086 0.000 1.097 315 H CA 1.660 57.696 56.048 -0.020 0.000 1.311 315 H CB -0.031 29.672 29.762 -0.099 0.000 1.377 315 H HN 0.416 nan 8.280 nan 0.000 0.504 316 K N 0.052 120.331 120.400 -0.203 0.000 2.062 316 K HA -0.129 4.192 4.320 0.001 0.000 0.205 316 K C 1.029 177.390 176.600 -0.400 0.000 1.051 316 K CA 1.295 57.302 56.287 -0.467 0.000 0.941 316 K CB 0.179 32.089 32.500 -0.984 0.000 0.719 316 K HN 0.169 nan 8.250 nan 0.000 0.440 317 Y N -0.633 119.687 120.300 0.033 0.000 2.430 317 Y HA 0.323 4.874 4.550 0.001 0.000 0.248 317 Y C 0.635 176.566 175.900 0.051 0.000 1.108 317 Y CA 0.123 58.244 58.100 0.035 0.000 1.264 317 Y CB 1.125 39.596 38.460 0.020 0.000 1.172 317 Y HN 0.244 nan 8.280 nan 0.000 0.520 318 G N 1.355 110.260 108.800 0.176 0.000 2.758 318 G HA2 -0.177 3.784 3.960 0.001 0.000 0.686 318 G HA3 -0.177 3.784 3.960 0.001 0.000 0.686 318 G C -2.065 172.908 174.900 0.123 0.000 1.389 318 G CA -0.466 44.724 45.100 0.149 0.000 0.845 318 G HN 0.016 nan 8.290 nan 0.000 0.572 319 P HA 0.094 nan 4.420 nan 0.000 0.225 319 P C 1.141 178.317 177.300 -0.207 0.000 1.156 319 P CA 1.114 64.183 63.100 -0.052 0.000 0.787 319 P CB 0.037 31.581 31.700 -0.259 0.000 0.802 320 F N 0.052 120.071 119.950 0.116 0.000 2.664 320 F HA 0.355 4.883 4.527 0.001 0.000 0.303 320 F C 1.763 177.583 175.800 0.033 0.000 1.092 320 F CA -0.534 57.509 58.000 0.072 0.000 1.305 320 F CB -0.516 38.518 39.000 0.056 0.000 1.054 320 F HN -0.171 nan 8.300 nan 0.000 0.565 321 G N 1.937 110.828 108.800 0.151 0.000 2.432 321 G HA2 0.141 4.102 3.960 0.001 0.000 0.239 321 G HA3 0.141 4.102 3.960 0.001 0.000 0.239 321 G C -1.348 173.548 174.900 -0.007 0.000 1.291 321 G CA -0.793 44.355 45.100 0.080 0.000 0.863 321 G HN 0.010 nan 8.290 nan 0.000 0.560 322 P HA -0.068 nan 4.420 nan 0.000 0.222 322 P C 0.948 178.157 177.300 -0.153 0.000 1.147 322 P CA 0.903 63.957 63.100 -0.076 0.000 0.790 322 P CB 0.380 32.040 31.700 -0.067 0.000 0.780 323 E N -0.885 119.161 120.200 -0.257 0.000 2.401 323 E HA -0.062 4.289 4.350 0.001 0.000 0.199 323 E C 1.813 178.256 176.600 -0.262 0.000 1.023 323 E CA 0.797 56.934 56.400 -0.438 0.000 0.859 323 E CB -0.653 28.318 29.700 -1.215 0.000 0.780 323 E HN 0.192 nan 8.360 nan 0.000 0.523 324 M N -0.240 119.257 119.600 -0.171 0.000 2.558 324 M HA 0.018 4.499 4.480 0.001 0.000 0.255 324 M C 1.503 177.681 176.300 -0.204 0.000 1.113 324 M CA 1.001 56.194 55.300 -0.177 0.000 1.097 324 M CB -0.691 31.743 32.600 -0.278 0.000 1.426 324 M HN 0.051 nan 8.290 nan 0.000 0.488 325 T N 0.915 115.370 114.554 -0.165 0.000 2.746 325 T HA -0.137 4.214 4.350 0.001 0.000 0.267 325 T C 1.773 176.410 174.700 -0.106 0.000 1.039 325 T CA 1.546 63.564 62.100 -0.137 0.000 1.142 325 T CB -0.330 68.476 68.868 -0.103 0.000 0.866 325 T HN 0.472 nan 8.240 nan 0.000 0.444 326 N N 1.297 119.943 118.700 -0.090 0.000 2.084 326 N HA -0.090 4.651 4.740 0.001 0.000 0.190 326 N C -0.853 174.636 175.510 -0.034 0.000 1.030 326 N CA 1.297 54.313 53.050 -0.057 0.000 0.849 326 N CB -0.547 37.910 38.487 -0.049 0.000 1.012 326 N HN 0.265 nan 8.380 nan 0.000 0.423 327 P HA -0.066 nan 4.420 nan 0.000 0.219 327 P C 1.842 179.147 177.300 0.009 0.000 1.150 327 P CA 0.832 63.939 63.100 0.013 0.000 0.814 327 P CB -0.103 31.625 31.700 0.047 0.000 0.787 328 L N -0.629 120.560 121.223 -0.056 0.000 2.093 328 L HA -0.088 4.253 4.340 0.001 0.000 0.208 328 L C 2.917 179.791 176.870 0.006 0.000 1.085 328 L CA 1.413 56.232 54.840 -0.035 0.000 0.755 328 L CB -0.678 41.288 42.059 -0.156 0.000 0.904 328 L HN -0.110 nan 8.230 nan 0.000 0.435 329 R N -0.342 120.142 120.500 -0.026 0.000 2.096 329 R HA -0.139 4.202 4.340 0.001 0.000 0.235 329 R C 2.216 178.510 176.300 -0.010 0.000 1.127 329 R CA 0.941 57.025 56.100 -0.026 0.000 0.968 329 R CB -0.179 30.098 30.300 -0.039 0.000 0.861 329 R HN 0.299 nan 8.270 nan 0.000 0.440 330 E N 0.860 121.064 120.200 0.007 0.000 2.072 330 E HA -0.125 4.226 4.350 0.001 0.000 0.191 330 E C 2.046 178.684 176.600 0.064 0.000 0.985 330 E CA 1.011 57.423 56.400 0.020 0.000 0.801 330 E CB -0.142 29.567 29.700 0.015 0.000 0.750 330 E HN 0.358 nan 8.360 nan 0.000 0.452 331 I N 0.994 121.637 120.570 0.121 0.000 2.226 331 I HA -0.277 3.894 4.170 0.001 0.000 0.245 331 I C 2.204 178.376 176.117 0.091 0.000 1.100 331 I CA 1.454 62.877 61.300 0.203 0.000 1.374 331 I CB -0.255 37.942 38.000 0.329 0.000 1.057 331 I HN 0.034 nan 8.210 nan 0.000 0.413 332 D N 0.934 121.347 120.400 0.023 0.000 2.144 332 D HA -0.242 4.399 4.640 0.001 0.000 0.199 332 D C 2.200 178.436 176.300 -0.106 0.000 0.984 332 D CA 1.265 55.215 54.000 -0.083 0.000 0.834 332 D CB 0.029 40.781 40.800 -0.079 0.000 0.955 332 D HN 0.119 nan 8.370 nan 0.000 0.465 333 K N -0.679 119.681 120.400 -0.067 0.000 2.063 333 K HA -0.144 4.176 4.320 0.001 0.000 0.208 333 K C 1.804 178.348 176.600 -0.093 0.000 1.048 333 K CA 1.698 57.937 56.287 -0.080 0.000 0.928 333 K CB -0.122 32.345 32.500 -0.055 0.000 0.713 333 K HN 0.091 nan 8.250 nan 0.000 0.442 334 T N 0.559 115.074 114.554 -0.066 0.000 2.746 334 T HA -0.111 4.240 4.350 0.001 0.000 0.267 334 T C 1.847 176.439 174.700 -0.180 0.000 1.039 334 T CA 1.398 63.438 62.100 -0.099 0.000 1.142 334 T CB -0.173 68.692 68.868 -0.005 0.000 0.866 334 T HN 0.009 nan 8.240 nan 0.000 0.444 335 V N 1.513 121.265 119.914 -0.269 0.000 2.392 335 V HA -0.125 3.996 4.120 0.001 0.000 0.249 335 V C 2.845 178.724 176.094 -0.360 0.000 1.059 335 V CA 1.951 63.944 62.300 -0.511 0.000 1.051 335 V CB -1.342 30.065 31.823 -0.693 0.000 0.658 335 V HN 0.610 nan 8.190 nan 0.000 0.455 336 G N -1.168 107.496 108.800 -0.227 0.000 2.402 336 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 336 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 336 G C 1.485 176.315 174.900 -0.116 0.000 1.162 336 G CA 0.709 45.728 45.100 -0.135 0.000 0.777 336 G HN 0.538 nan 8.290 nan 0.000 0.539 337 Q N -0.623 119.101 119.800 -0.127 0.000 2.050 337 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 337 Q C 2.481 178.394 176.000 -0.145 0.000 0.980 337 Q CA 1.226 56.967 55.803 -0.103 0.000 0.840 337 Q CB -0.307 28.362 28.738 -0.115 0.000 0.898 337 Q HN 0.419 nan 8.270 nan 0.000 0.424 338 L N 0.171 121.266 121.223 -0.212 0.000 2.012 338 L HA -0.198 4.143 4.340 0.001 0.000 0.210 338 L C 2.057 178.763 176.870 -0.272 0.000 1.073 338 L CA 1.819 56.520 54.840 -0.233 0.000 0.748 338 L CB -0.364 41.551 42.059 -0.240 0.000 0.891 338 L HN 0.231 nan 8.230 nan 0.000 0.431 339 M N -0.871 118.501 119.600 -0.380 0.000 2.156 339 M HA -0.128 4.353 4.480 0.001 0.000 0.264 339 M C 1.971 178.097 176.300 -0.289 0.000 1.067 339 M CA 1.256 56.215 55.300 -0.568 0.000 1.131 339 M CB -1.472 30.441 32.600 -1.146 0.000 1.368 339 M HN 0.237 nan 8.290 nan 0.000 0.416 340 D N 0.389 120.726 120.400 -0.104 0.000 2.123 340 D HA -0.094 4.547 4.640 0.001 0.000 0.196 340 D C 2.090 178.361 176.300 -0.048 0.000 0.992 340 D CA 1.675 55.671 54.000 -0.005 0.000 0.833 340 D CB -0.561 40.285 40.800 0.078 0.000 0.954 340 D HN 0.451 nan 8.370 nan 0.000 0.455 341 G N 0.520 109.277 108.800 -0.071 0.000 2.402 341 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 341 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 341 G C 1.777 176.638 174.900 -0.065 0.000 1.162 341 G CA 0.204 45.270 45.100 -0.056 0.000 0.777 341 G HN 0.251 nan 8.290 nan 0.000 0.539 342 L N 0.035 121.194 121.223 -0.106 0.000 2.093 342 L HA -0.027 4.314 4.340 0.001 0.000 0.208 342 L C 2.817 179.672 176.870 -0.026 0.000 1.085 342 L CA 1.419 56.213 54.840 -0.076 0.000 0.755 342 L CB -0.282 41.709 42.059 -0.113 0.000 0.904 342 L HN 0.231 nan 8.230 nan 0.000 0.435 343 K N 0.019 120.356 120.400 -0.106 0.000 2.057 343 K HA -0.197 4.123 4.320 0.001 0.000 0.206 343 K C 2.094 178.621 176.600 -0.121 0.000 1.050 343 K CA 1.218 57.339 56.287 -0.276 0.000 0.935 343 K CB 0.024 32.290 32.500 -0.390 0.000 0.715 343 K HN 0.336 nan 8.250 nan 0.000 0.439 344 Q N 0.117 119.881 119.800 -0.059 0.000 2.234 344 Q HA -0.121 4.219 4.340 0.001 0.000 0.206 344 Q C 1.637 177.651 176.000 0.023 0.000 0.980 344 Q CA 1.102 56.904 55.803 -0.002 0.000 0.869 344 Q CB 0.065 28.823 28.738 0.034 0.000 0.912 344 Q HN 0.386 nan 8.270 nan 0.000 0.436 345 L N 0.011 121.245 121.223 0.018 0.000 2.628 345 L HA 0.098 4.439 4.340 0.001 0.000 0.229 345 L C 0.049 176.930 176.870 0.018 0.000 1.137 345 L CA 0.030 54.886 54.840 0.026 0.000 0.909 345 L CB 0.137 42.208 42.059 0.018 0.000 1.137 345 L HN 0.115 nan 8.230 nan 0.000 0.470 346 K N 0.118 120.555 120.400 0.061 0.000 3.117 346 K HA -0.192 4.129 4.320 0.001 0.000 0.269 346 K C 0.552 177.179 176.600 0.046 0.000 1.098 346 K CA 0.406 56.761 56.287 0.112 0.000 0.785 346 K CB -1.753 30.774 32.500 0.045 0.000 1.242 346 K HN 0.355 nan 8.250 nan 0.000 0.491 347 L N 0.172 121.438 121.223 0.071 0.000 2.766 347 L HA 0.071 4.412 4.340 0.001 0.000 0.242 347 L C 2.145 179.027 176.870 0.019 0.000 1.136 347 L CA -0.289 54.515 54.840 -0.060 0.000 0.933 347 L CB -0.074 41.918 42.059 -0.113 0.000 1.241 347 L HN 0.368 nan 8.230 nan 0.000 0.522 348 H N -0.051 118.999 119.070 -0.034 0.000 2.545 348 H HA -0.002 4.554 4.556 0.000 0.000 0.282 348 H C 1.118 176.511 175.328 0.108 0.000 1.020 348 H CA 0.501 56.557 56.048 0.014 0.000 1.243 348 H CB -0.119 29.681 29.762 0.062 0.000 1.377 348 H HN 0.286 nan 8.280 nan 0.000 0.581 349 R N -0.309 119.999 120.500 -0.319 0.000 2.613 349 R HA 0.219 4.560 4.340 0.001 0.000 0.361 349 R C 0.836 177.056 176.300 -0.133 0.000 1.072 349 R CA 0.278 56.245 56.100 -0.222 0.000 1.089 349 R CB 0.281 30.387 30.300 -0.323 0.000 1.343 349 R HN 0.308 nan 8.270 nan 0.000 0.571 350 c N -0.805 117.736 118.600 -0.099 0.000 2.735 350 c HA 0.336 4.907 4.570 0.001 0.000 0.444 350 c C 0.740 174.827 174.090 -0.004 0.000 1.331 350 c CA -0.035 56.246 56.329 -0.080 0.000 2.225 350 c CB 0.269 42.672 42.510 -0.179 0.000 2.917 350 c HN 0.041 nan 8.230 nan 0.000 0.567 351 V N 3.772 123.700 119.914 0.024 0.000 2.686 351 V HA 0.338 4.459 4.120 0.001 0.000 0.295 351 V C -0.482 175.693 176.094 0.134 0.000 1.057 351 V CA -0.149 62.205 62.300 0.089 0.000 1.012 351 V CB 1.230 33.095 31.823 0.071 0.000 1.006 351 V HN 0.453 nan 8.190 nan 0.000 0.477 352 N N 2.166 120.975 118.700 0.181 0.000 2.438 352 N HA 0.465 5.206 4.740 0.001 0.000 0.282 352 N C -0.925 174.761 175.510 0.294 0.000 1.037 352 N CA -0.208 53.005 53.050 0.272 0.000 0.942 352 N CB 2.030 40.677 38.487 0.267 0.000 1.136 352 N HN 0.369 nan 8.380 nan 0.000 0.481 353 V N 3.713 123.807 119.914 0.301 0.000 2.448 353 V HA 0.481 4.601 4.120 0.001 0.000 0.295 353 V C 0.289 176.472 176.094 0.149 0.000 1.025 353 V CA -0.690 61.730 62.300 0.200 0.000 0.859 353 V CB 1.638 33.512 31.823 0.085 0.000 0.988 353 V HN 0.487 nan 8.190 nan 0.000 0.431 354 I N 4.917 125.588 120.570 0.169 0.000 2.378 354 I HA 0.404 4.574 4.170 0.001 0.000 0.291 354 I C -0.970 175.203 176.117 0.093 0.000 0.992 354 I CA -0.390 60.950 61.300 0.067 0.000 1.154 354 I CB 1.547 39.696 38.000 0.248 0.000 1.315 354 I HN 0.547 nan 8.210 nan 0.000 0.448 355 F N 8.378 128.194 119.950 -0.224 0.000 2.388 355 F HA 0.669 5.198 4.527 0.003 0.000 0.358 355 F C -0.853 174.850 175.800 -0.161 0.000 1.122 355 F CA -0.481 57.413 58.000 -0.176 0.000 1.056 355 F CB 1.098 39.893 39.000 -0.342 0.000 1.155 355 F HN 0.147 nan 8.300 nan 0.000 0.461 356 V N 5.785 125.434 119.914 -0.441 0.000 2.932 356 V HA 0.834 4.955 4.120 0.001 0.000 0.307 356 V C -0.510 175.432 176.094 -0.253 0.000 1.147 356 V CA -0.207 61.984 62.300 -0.182 0.000 0.951 356 V CB 1.793 33.685 31.823 0.116 0.000 1.031 356 V HN 0.921 nan 8.190 nan 0.000 0.426 357 G N 2.799 111.510 108.800 -0.147 0.000 2.461 357 G HA2 0.517 4.477 3.960 0.001 0.000 0.329 357 G HA3 0.517 4.477 3.960 0.001 0.000 0.329 357 G C 0.193 175.075 174.900 -0.031 0.000 1.170 357 G CA 0.254 45.291 45.100 -0.104 0.000 0.935 357 G HN 0.858 nan 8.290 nan 0.000 0.492 358 D N -1.880 118.466 120.400 -0.091 0.000 2.301 358 D HA 0.100 4.741 4.640 0.001 0.000 0.206 358 D C 0.680 176.984 176.300 0.007 0.000 0.979 358 D CA 0.998 54.983 54.000 -0.026 0.000 0.874 358 D CB -0.017 40.800 40.800 0.028 0.000 0.968 358 D HN 0.651 nan 8.370 nan 0.000 0.510 359 H N -3.866 115.218 119.070 0.023 0.000 2.904 359 H HA 0.589 5.147 4.556 0.002 0.000 0.290 359 H C 0.100 175.397 175.328 -0.053 0.000 1.437 359 H CA -0.879 55.166 56.048 -0.005 0.000 1.147 359 H CB 0.807 30.547 29.762 -0.037 0.000 1.824 359 H HN 0.025 nan 8.280 nan 0.000 0.505 360 G N -0.521 108.381 108.800 0.171 0.000 2.714 360 G HA2 0.535 4.496 3.960 0.001 0.000 0.197 360 G HA3 0.535 4.496 3.960 0.001 0.000 0.197 360 G C -0.842 174.126 174.900 0.114 0.000 1.449 360 G CA -0.421 44.704 45.100 0.042 0.000 1.065 360 G HN 0.762 nan 8.290 nan 0.000 0.575 361 M N -0.922 118.689 119.600 0.018 0.000 2.325 361 M HA 0.535 5.016 4.480 0.001 0.000 0.285 361 M C -1.566 174.770 176.300 0.060 0.000 1.119 361 M CA -0.591 54.746 55.300 0.063 0.000 0.959 361 M CB 2.323 34.924 32.600 0.002 0.000 1.737 361 M HN 0.573 nan 8.290 nan 0.000 0.486 362 E N 1.568 121.865 120.200 0.161 0.000 2.299 362 E HA 0.484 4.835 4.350 0.001 0.000 0.265 362 E C -1.441 175.258 176.600 0.165 0.000 0.911 362 E CA -0.391 56.116 56.400 0.177 0.000 0.789 362 E CB 1.418 31.292 29.700 0.291 0.000 1.246 362 E HN 0.645 nan 8.360 nan 0.000 0.427 363 D N 1.662 122.157 120.400 0.158 0.000 2.358 363 D HA 0.232 4.873 4.640 0.001 0.000 0.258 363 D C -0.791 175.552 176.300 0.071 0.000 1.223 363 D CA 0.252 54.330 54.000 0.130 0.000 0.886 363 D CB 0.781 41.663 40.800 0.136 0.000 1.120 363 D HN 0.088 nan 8.370 nan 0.000 0.482 364 V N 2.584 122.544 119.914 0.077 0.000 2.612 364 V HA 0.364 4.485 4.120 0.001 0.000 0.301 364 V C 0.347 176.483 176.094 0.069 0.000 1.059 364 V CA -0.756 61.549 62.300 0.008 0.000 0.886 364 V CB 2.047 33.859 31.823 -0.019 0.000 1.007 364 V HN 0.624 nan 8.190 nan 0.000 0.426 365 T N -0.370 114.100 114.554 -0.139 0.000 2.907 365 T HA 0.333 4.684 4.350 0.001 0.000 0.290 365 T C 1.107 175.593 174.700 -0.357 0.000 1.066 365 T CA -0.365 61.526 62.100 -0.347 0.000 1.012 365 T CB 1.493 70.181 68.868 -0.299 0.000 1.184 365 T HN 0.467 nan 8.240 nan 0.000 0.522 366 c N 0.736 119.011 118.600 -0.541 0.000 2.401 366 c HA -0.097 4.474 4.570 0.001 0.000 0.276 366 c C 2.304 176.321 174.090 -0.122 0.000 1.233 366 c CA 1.090 57.290 56.329 -0.215 0.000 1.753 366 c CB -1.275 41.098 42.510 -0.229 0.000 2.029 366 c HN 0.880 nan 8.230 nan 0.000 0.478 367 D N 0.082 120.367 120.400 -0.192 0.000 2.351 367 D HA -0.054 4.587 4.640 0.001 0.000 0.216 367 D C 1.243 177.363 176.300 -0.299 0.000 0.968 367 D CA 0.908 54.810 54.000 -0.164 0.000 0.899 367 D CB -0.313 40.391 40.800 -0.160 0.000 0.907 367 D HN 0.574 nan 8.370 nan 0.000 0.514 368 R N 0.424 120.609 120.500 -0.526 0.000 3.301 368 R HA 0.260 4.600 4.340 0.001 0.000 0.286 368 R C -0.558 175.390 176.300 -0.587 0.000 1.386 368 R CA -0.079 55.273 56.100 -1.246 0.000 1.607 368 R CB 0.610 29.796 30.300 -1.856 0.000 1.305 368 R HN -0.152 nan 8.270 nan 0.000 0.637 369 T N 0.863 115.366 114.554 -0.086 0.000 2.809 369 T HA 0.207 4.558 4.350 0.001 0.000 0.284 369 T C -0.221 174.465 174.700 -0.022 0.000 0.992 369 T CA -0.758 61.346 62.100 0.006 0.000 0.957 369 T CB 2.098 70.825 68.868 -0.234 0.000 0.942 369 T HN 0.146 nan 8.240 nan 0.000 0.439 370 E N 2.328 122.623 120.200 0.159 0.000 2.313 370 E HA 0.297 4.648 4.350 0.001 0.000 0.276 370 E C -0.844 175.615 176.600 -0.235 0.000 1.031 370 E CA -0.091 56.387 56.400 0.130 0.000 0.857 370 E CB 0.895 30.821 29.700 0.377 0.000 1.040 370 E HN 0.440 nan 8.360 nan 0.000 0.408 371 F N 1.928 122.062 119.950 0.307 0.000 2.436 371 F HA 0.197 4.725 4.527 0.002 0.000 0.340 371 F C 1.500 177.460 175.800 0.267 0.000 1.113 371 F CA -0.612 57.513 58.000 0.208 0.000 1.022 371 F CB 0.881 39.981 39.000 0.167 0.000 1.128 371 F HN 0.331 nan 8.300 nan 0.000 0.466 372 L N 1.337 122.731 121.223 0.285 0.000 2.191 372 L HA -0.175 4.166 4.340 0.001 0.000 0.212 372 L C 2.343 179.403 176.870 0.317 0.000 1.103 372 L CA 1.363 56.340 54.840 0.229 0.000 0.769 372 L CB -0.568 41.523 42.059 0.054 0.000 0.908 372 L HN 0.784 nan 8.230 nan 0.000 0.438 373 S N -0.678 115.181 115.700 0.265 0.000 2.440 373 S HA -0.217 4.253 4.470 0.001 0.000 0.238 373 S C 1.422 176.125 174.600 0.171 0.000 1.010 373 S CA 1.566 59.872 58.200 0.177 0.000 0.972 373 S CB -0.798 62.463 63.200 0.103 0.000 0.774 373 S HN 0.553 nan 8.310 nan 0.000 0.501 374 N N -0.374 118.472 118.700 0.244 0.000 2.512 374 N HA 0.058 4.799 4.740 0.001 0.000 0.183 374 N C 0.606 176.063 175.510 -0.089 0.000 1.073 374 N CA 0.998 54.086 53.050 0.062 0.000 0.911 374 N CB -0.065 38.428 38.487 0.010 0.000 0.964 374 N HN 0.528 nan 8.380 nan 0.000 0.447 375 Y N -0.233 120.134 120.300 0.113 0.000 2.526 375 Y HA 0.367 4.918 4.550 0.001 0.000 0.265 375 Y C 0.185 176.125 175.900 0.067 0.000 1.092 375 Y CA -0.152 58.006 58.100 0.096 0.000 1.277 375 Y CB 0.766 39.315 38.460 0.148 0.000 1.228 375 Y HN -0.154 nan 8.280 nan 0.000 0.507 376 L N -0.807 120.552 121.223 0.227 0.000 2.354 376 L HA 0.401 4.742 4.340 0.001 0.000 0.269 376 L C 0.787 177.713 176.870 0.093 0.000 1.005 376 L CA -0.404 54.519 54.840 0.138 0.000 0.819 376 L CB 2.094 44.227 42.059 0.124 0.000 1.311 376 L HN -0.176 nan 8.230 nan 0.000 0.423 377 T N -0.263 114.329 114.554 0.063 0.000 2.937 377 T HA -0.000 4.351 4.350 0.001 0.000 0.260 377 T C 0.449 175.173 174.700 0.040 0.000 1.051 377 T CA 1.249 63.375 62.100 0.043 0.000 1.141 377 T CB -0.150 68.736 68.868 0.030 0.000 0.879 377 T HN 0.512 nan 8.240 nan 0.000 0.459 378 N N 1.176 119.902 118.700 0.045 0.000 2.841 378 N HA 0.263 5.004 4.740 0.001 0.000 0.257 378 N C 0.760 176.298 175.510 0.047 0.000 1.396 378 N CA -0.174 52.899 53.050 0.039 0.000 0.823 378 N CB 1.491 39.999 38.487 0.035 0.000 1.162 378 N HN 0.073 nan 8.380 nan 0.000 0.503 379 V N -2.708 117.236 119.914 0.049 0.000 3.217 379 V HA -0.023 4.097 4.120 0.001 0.000 0.264 379 V C 1.007 177.121 176.094 0.033 0.000 1.135 379 V CA 1.153 63.483 62.300 0.050 0.000 1.142 379 V CB -0.058 31.801 31.823 0.061 0.000 0.754 379 V HN 0.277 nan 8.190 nan 0.000 0.484 380 D N 1.104 121.519 120.400 0.025 0.000 2.350 380 D HA -0.079 4.562 4.640 0.001 0.000 0.216 380 D C 1.355 177.660 176.300 0.009 0.000 0.968 380 D CA 1.162 55.169 54.000 0.012 0.000 0.894 380 D CB -0.083 40.722 40.800 0.008 0.000 0.909 380 D HN 0.547 nan 8.370 nan 0.000 0.520 381 D N 0.161 120.573 120.400 0.021 0.000 2.339 381 D HA 0.094 4.735 4.640 0.001 0.000 0.217 381 D C 1.023 177.331 176.300 0.014 0.000 1.050 381 D CA 0.031 54.043 54.000 0.021 0.000 0.856 381 D CB 0.913 41.737 40.800 0.041 0.000 0.922 381 D HN 0.389 nan 8.370 nan 0.000 0.518 382 I N -2.529 118.049 120.570 0.013 0.000 2.846 382 I HA 0.465 4.635 4.170 0.001 0.000 0.307 382 I C -0.406 175.686 176.117 -0.041 0.000 1.053 382 I CA -0.739 60.555 61.300 -0.010 0.000 1.050 382 I CB 2.320 40.350 38.000 0.049 0.000 1.239 382 I HN -0.437 nan 8.210 nan 0.000 0.439 383 T N 5.102 119.607 114.554 -0.081 0.000 2.794 383 T HA 0.575 4.925 4.350 0.001 0.000 0.280 383 T C -0.743 173.917 174.700 -0.067 0.000 0.987 383 T CA -0.287 61.765 62.100 -0.080 0.000 0.993 383 T CB 1.314 70.110 68.868 -0.119 0.000 0.939 383 T HN 0.477 nan 8.240 nan 0.000 0.449 384 L N 5.316 126.505 121.223 -0.056 0.000 2.325 384 L HA 0.591 4.931 4.340 0.001 0.000 0.281 384 L C -0.688 176.139 176.870 -0.071 0.000 1.004 384 L CA -0.608 54.192 54.840 -0.066 0.000 0.823 384 L CB 1.350 43.367 42.059 -0.071 0.000 1.236 384 L HN 0.404 nan 8.230 nan 0.000 0.415 385 V N 8.158 128.028 119.914 -0.073 0.000 2.415 385 V HA 0.351 4.472 4.120 0.001 0.000 0.267 385 V C -1.833 174.186 176.094 -0.125 0.000 1.042 385 V CA -0.709 61.542 62.300 -0.081 0.000 1.000 385 V CB 0.070 31.858 31.823 -0.059 0.000 1.015 385 V HN 0.739 nan 8.190 nan 0.000 0.478 386 P HA 0.801 nan 4.420 nan 0.000 0.309 386 P C 0.274 177.417 177.300 -0.260 0.000 1.302 386 P CA 0.268 63.253 63.100 -0.192 0.000 0.835 386 P CB 2.673 34.266 31.700 -0.179 0.000 1.324 387 G N -0.304 108.306 108.800 -0.317 0.000 2.846 387 G HA2 -0.199 3.762 3.960 0.001 0.000 0.225 387 G HA3 -0.199 3.762 3.960 0.001 0.000 0.225 387 G C 0.655 175.451 174.900 -0.173 0.000 1.285 387 G CA 0.417 45.226 45.100 -0.485 0.000 1.055 387 G HN 0.699 nan 8.290 nan 0.000 0.579 388 T N 0.505 114.914 114.554 -0.243 0.000 3.169 388 T HA 0.550 4.901 4.350 0.001 0.000 0.250 388 T C 0.823 175.392 174.700 -0.219 0.000 1.111 388 T CA 1.361 63.227 62.100 -0.390 0.000 1.010 388 T CB -0.720 67.499 68.868 -1.080 0.000 0.984 388 T HN 1.713 nan 8.240 nan 0.000 0.537 389 L N -4.100 117.037 121.223 -0.143 0.000 2.600 389 L HA 0.960 5.300 4.340 0.001 0.000 0.257 389 L C -0.764 176.004 176.870 -0.169 0.000 1.048 389 L CA -1.518 53.282 54.840 -0.067 0.000 0.869 389 L CB 1.462 43.490 42.059 -0.053 0.000 1.482 389 L HN -0.045 nan 8.230 nan 0.000 0.408 390 G N 0.443 109.071 108.800 -0.286 0.000 2.617 390 G HA2 0.763 4.724 3.960 0.001 0.000 0.306 390 G HA3 0.763 4.724 3.960 0.001 0.000 0.306 390 G C -1.496 173.181 174.900 -0.373 0.000 1.360 390 G CA -0.821 44.104 45.100 -0.293 0.000 0.983 390 G HN 0.590 nan 8.290 nan 0.000 0.496 391 R N 1.691 122.086 120.500 -0.176 0.000 2.575 391 R HA 0.519 4.860 4.340 0.001 0.000 0.293 391 R C -1.091 175.188 176.300 -0.034 0.000 0.983 391 R CA -0.763 55.303 56.100 -0.055 0.000 0.887 391 R CB 2.623 32.957 30.300 0.057 0.000 1.184 391 R HN 0.411 nan 8.270 nan 0.000 0.445 392 I N 3.530 124.105 120.570 0.008 0.000 2.474 392 I HA 0.510 4.681 4.170 0.001 0.000 0.294 392 I C -0.011 176.110 176.117 0.006 0.000 1.005 392 I CA -0.832 60.477 61.300 0.015 0.000 1.113 392 I CB 1.742 39.781 38.000 0.065 0.000 1.289 392 I HN 0.564 nan 8.210 nan 0.000 0.436 393 R N 5.561 125.994 120.500 -0.113 0.000 2.764 393 R HA 0.634 4.975 4.340 0.001 0.000 0.270 393 R C -3.183 172.826 176.300 -0.485 0.000 1.014 393 R CA -1.940 53.962 56.100 -0.331 0.000 0.904 393 R CB 1.534 31.701 30.300 -0.221 0.000 1.236 393 R HN 0.123 nan 8.270 nan 0.000 0.466 394 P HA -0.024 nan 4.420 nan 0.000 0.269 394 P C -0.243 176.892 177.300 -0.275 0.000 1.209 394 P CA -0.182 62.623 63.100 -0.492 0.000 0.776 394 P CB 1.185 32.601 31.700 -0.473 0.000 0.876 395 K N 2.701 123.002 120.400 -0.164 0.000 2.063 395 K HA -0.082 4.239 4.320 0.001 0.000 0.208 395 K C 0.624 177.137 176.600 -0.145 0.000 1.048 395 K CA 1.134 57.340 56.287 -0.135 0.000 0.928 395 K CB -0.144 32.311 32.500 -0.076 0.000 0.713 395 K HN 0.463 nan 8.250 nan 0.000 0.442 396 I N 3.050 123.550 120.570 -0.116 0.000 2.312 396 I HA 0.144 4.315 4.170 0.001 0.000 0.291 396 I C -2.254 173.792 176.117 -0.118 0.000 1.031 396 I CA -2.524 58.719 61.300 -0.096 0.000 1.293 396 I CB 1.252 39.222 38.000 -0.049 0.000 1.403 396 I HN -0.010 nan 8.210 nan 0.000 0.484 397 P HA 0.009 nan 4.420 nan 0.000 0.262 397 P C -0.230 177.047 177.300 -0.039 0.000 1.182 397 P CA 0.470 63.512 63.100 -0.098 0.000 0.761 397 P CB 0.144 31.828 31.700 -0.026 0.000 0.795 398 N N -0.768 117.909 118.700 -0.038 0.000 2.753 398 N HA -0.234 4.506 4.740 0.001 0.000 0.251 398 N C 0.069 175.583 175.510 0.007 0.000 1.097 398 N CA 0.059 53.108 53.050 -0.001 0.000 0.786 398 N CB -1.572 36.929 38.487 0.023 0.000 1.137 398 N HN 0.489 nan 8.380 nan 0.000 0.566 399 N N 1.547 120.237 118.700 -0.016 0.000 2.414 399 N HA -0.009 4.732 4.740 0.001 0.000 0.268 399 N C 0.919 176.473 175.510 0.072 0.000 1.286 399 N CA 0.397 53.458 53.050 0.018 0.000 0.896 399 N CB 0.469 38.959 38.487 0.004 0.000 1.093 399 N HN 0.294 nan 8.380 nan 0.000 0.480 400 L N 3.163 124.422 121.223 0.061 0.000 2.275 400 L HA -0.052 4.289 4.340 0.001 0.000 0.215 400 L C 1.961 178.880 176.870 0.081 0.000 1.119 400 L CA 0.849 55.730 54.840 0.069 0.000 0.790 400 L CB -0.152 41.933 42.059 0.044 0.000 0.919 400 L HN 0.532 nan 8.230 nan 0.000 0.443 401 K N -0.504 119.945 120.400 0.082 0.000 2.487 401 K HA -0.059 4.262 4.320 0.001 0.000 0.192 401 K C 0.103 176.770 176.600 0.112 0.000 1.027 401 K CA -0.215 56.116 56.287 0.074 0.000 1.054 401 K CB 0.136 32.669 32.500 0.055 0.000 0.824 401 K HN 0.023 nan 8.250 nan 0.000 0.510 402 Y N 2.077 122.378 120.300 0.002 0.000 2.721 402 Y HA -0.117 4.434 4.550 0.001 0.000 0.329 402 Y C -0.109 175.793 175.900 0.004 0.000 1.211 402 Y CA -0.142 57.959 58.100 0.002 0.000 1.512 402 Y CB 0.240 38.700 38.460 0.000 0.000 1.249 402 Y HN -0.072 nan 8.280 nan 0.000 0.549 403 D N 9.228 129.409 120.400 -0.366 0.000 2.483 403 D HA 0.250 4.891 4.640 0.001 0.000 0.281 403 D C -1.977 174.061 176.300 -0.436 0.000 1.174 403 D CA -2.101 51.715 54.000 -0.307 0.000 0.938 403 D CB 1.038 41.754 40.800 -0.140 0.000 1.002 403 D HN 0.353 nan 8.370 nan 0.000 0.501 404 P HA -0.120 nan 4.420 nan 0.000 0.217 404 P C 1.182 178.362 177.300 -0.201 0.000 1.150 404 P CA 0.762 63.589 63.100 -0.455 0.000 0.832 404 P CB 0.686 32.179 31.700 -0.346 0.000 0.787 405 K N 0.031 120.344 120.400 -0.146 0.000 2.057 405 K HA -0.057 4.264 4.320 0.001 0.000 0.207 405 K C 2.308 178.862 176.600 -0.076 0.000 1.049 405 K CA 1.525 57.760 56.287 -0.086 0.000 0.931 405 K CB -0.570 31.892 32.500 -0.064 0.000 0.714 405 K HN 0.042 nan 8.250 nan 0.000 0.440 406 A N 1.503 124.271 122.820 -0.088 0.000 1.898 406 A HA -0.108 4.213 4.320 0.001 0.000 0.216 406 A C 2.120 179.676 177.584 -0.047 0.000 1.181 406 A CA 1.066 53.067 52.037 -0.060 0.000 0.620 406 A CB -0.503 18.463 19.000 -0.055 0.000 0.819 406 A HN 0.143 nan 8.150 nan 0.000 0.442 407 I N -0.229 120.295 120.570 -0.075 0.000 2.127 407 I HA -0.290 3.881 4.170 0.001 0.000 0.241 407 I C 2.322 178.432 176.117 -0.011 0.000 1.075 407 I CA 1.588 62.865 61.300 -0.037 0.000 1.334 407 I CB -0.372 37.591 38.000 -0.061 0.000 1.040 407 I HN 0.293 nan 8.210 nan 0.000 0.405 408 I N 0.736 121.290 120.570 -0.028 0.000 2.264 408 I HA -0.324 3.847 4.170 0.001 0.000 0.248 408 I C 2.770 178.878 176.117 -0.015 0.000 1.111 408 I CA 1.373 62.666 61.300 -0.011 0.000 1.382 408 I CB -0.489 37.501 38.000 -0.017 0.000 1.060 408 I HN 0.230 nan 8.210 nan 0.000 0.418 409 A N 0.767 123.573 122.820 -0.023 0.000 1.902 409 A HA -0.225 4.095 4.320 0.001 0.000 0.217 409 A C 1.967 179.553 177.584 0.002 0.000 1.181 409 A CA 2.083 54.106 52.037 -0.024 0.000 0.623 409 A CB -0.681 18.302 19.000 -0.030 0.000 0.818 409 A HN 0.397 nan 8.150 nan 0.000 0.443 410 N N -0.478 118.241 118.700 0.031 0.000 2.512 410 N HA 0.049 4.790 4.740 0.001 0.000 0.183 410 N C 1.076 176.683 175.510 0.162 0.000 1.073 410 N CA 0.673 53.776 53.050 0.088 0.000 0.911 410 N CB -0.152 38.396 38.487 0.101 0.000 0.964 410 N HN 0.504 nan 8.380 nan 0.000 0.447 411 L N -0.898 120.378 121.223 0.090 0.000 2.640 411 L HA 0.196 4.537 4.340 0.001 0.000 0.230 411 L C -0.090 176.753 176.870 -0.045 0.000 1.123 411 L CA 0.198 55.072 54.840 0.055 0.000 0.900 411 L CB 0.261 42.374 42.059 0.091 0.000 1.146 411 L HN -0.111 nan 8.230 nan 0.000 0.484 412 T N -0.113 114.416 114.554 -0.043 0.000 2.762 412 T HA 0.157 4.507 4.350 0.001 0.000 0.303 412 T C 0.491 175.121 174.700 -0.117 0.000 0.977 412 T CA -0.269 61.765 62.100 -0.111 0.000 0.961 412 T CB 0.447 69.252 68.868 -0.105 0.000 0.944 412 T HN 0.243 nan 8.240 nan 0.000 0.481 413 c N 4.231 122.727 118.600 -0.174 0.000 4.167 413 c HA -0.102 4.469 4.570 0.001 0.000 0.302 413 c C 1.553 175.578 174.090 -0.109 0.000 1.384 413 c CA 0.098 56.328 56.329 -0.167 0.000 2.041 413 c CB -1.774 40.634 42.510 -0.170 0.000 1.303 413 c HN 0.810 nan 8.230 nan 0.000 0.718 414 K N 0.053 120.423 120.400 -0.050 0.000 2.352 414 K HA 0.151 4.472 4.320 0.001 0.000 0.194 414 K C 0.712 177.279 176.600 -0.055 0.000 1.038 414 K CA 0.734 57.017 56.287 -0.007 0.000 1.023 414 K CB 0.344 32.910 32.500 0.111 0.000 0.840 414 K HN 0.669 nan 8.250 nan 0.000 0.519 415 K N 0.826 121.181 120.400 -0.074 0.000 2.371 415 K HA 0.229 4.549 4.320 0.001 0.000 0.251 415 K C -1.969 174.533 176.600 -0.163 0.000 0.934 415 K CA -1.867 54.348 56.287 -0.120 0.000 0.798 415 K CB 2.165 34.593 32.500 -0.121 0.000 1.204 415 K HN -0.288 nan 8.250 nan 0.000 0.427 416 P HA -0.210 nan 4.420 nan 0.000 0.215 416 P C 0.173 177.349 177.300 -0.208 0.000 1.157 416 P CA 1.646 64.657 63.100 -0.148 0.000 0.874 416 P CB 0.126 31.762 31.700 -0.106 0.000 0.790 417 D N -1.233 119.009 120.400 -0.263 0.000 2.427 417 D HA 0.022 4.663 4.640 0.001 0.000 0.224 417 D C 0.633 176.420 176.300 -0.854 0.000 1.157 417 D CA -0.398 53.347 54.000 -0.424 0.000 0.828 417 D CB -0.992 39.637 40.800 -0.285 0.000 0.974 417 D HN 0.217 nan 8.370 nan 0.000 0.498 418 Q N 0.726 120.169 119.800 -0.595 0.000 2.308 418 Q HA -0.112 4.229 4.340 0.001 0.000 0.313 418 Q C 0.066 175.607 176.000 -0.766 0.000 1.075 418 Q CA 0.457 55.878 55.803 -0.637 0.000 0.995 418 Q CB 0.368 28.798 28.738 -0.512 0.000 1.107 418 Q HN 0.329 nan 8.270 nan 0.000 0.380 419 H N 5.273 124.071 119.070 -0.454 0.000 2.507 419 H HA 0.168 4.725 4.556 0.001 0.000 0.294 419 H C -0.757 174.542 175.328 -0.048 0.000 1.064 419 H CA 0.158 55.931 56.048 -0.459 0.000 1.138 419 H CB -0.445 28.633 29.762 -1.140 0.000 1.515 419 H HN 0.472 nan 8.280 nan 0.000 0.547 420 F N -1.247 118.655 119.950 -0.080 0.000 2.745 420 F HA 0.597 5.125 4.527 0.001 0.000 0.316 420 F C -1.297 174.478 175.800 -0.042 0.000 1.155 420 F CA -1.479 56.515 58.000 -0.010 0.000 0.937 420 F CB 1.963 40.958 39.000 -0.008 0.000 1.361 420 F HN -0.317 nan 8.300 nan 0.000 0.472 421 K N 2.366 122.889 120.400 0.205 0.000 2.507 421 K HA 0.499 4.820 4.320 0.001 0.000 0.251 421 K C -3.246 173.489 176.600 0.226 0.000 0.943 421 K CA -2.044 54.272 56.287 0.048 0.000 0.794 421 K CB 2.666 35.168 32.500 0.004 0.000 1.188 421 K HN 0.466 nan 8.250 nan 0.000 0.428 422 P HA 0.187 nan 4.420 nan 0.000 0.279 422 P C -1.443 175.863 177.300 0.010 0.000 1.239 422 P CA -0.170 63.020 63.100 0.150 0.000 0.789 422 P CB 0.551 32.305 31.700 0.091 0.000 0.933 423 Y N 0.729 121.119 120.300 0.151 0.000 2.457 423 Y HA 0.304 4.855 4.550 0.002 0.000 0.343 423 Y C 0.753 176.727 175.900 0.124 0.000 0.994 423 Y CA -1.225 56.968 58.100 0.154 0.000 1.031 423 Y CB 1.957 40.518 38.460 0.168 0.000 1.246 423 Y HN 0.172 nan 8.280 nan 0.000 0.449 424 M N 3.545 123.278 119.600 0.221 0.000 2.245 424 M HA 0.053 4.533 4.480 0.001 0.000 0.344 424 M C 1.359 177.672 176.300 0.023 0.000 1.170 424 M CA 0.077 55.407 55.300 0.050 0.000 1.135 424 M CB 0.855 33.384 32.600 -0.118 0.000 1.574 424 M HN 0.836 nan 8.290 nan 0.000 0.452 425 K N 2.553 122.910 120.400 -0.072 0.000 2.152 425 K HA -0.205 4.116 4.320 0.001 0.000 0.206 425 K C 1.339 177.814 176.600 -0.209 0.000 1.048 425 K CA 1.374 57.583 56.287 -0.130 0.000 0.933 425 K CB -0.287 32.089 32.500 -0.206 0.000 0.721 425 K HN 0.696 nan 8.250 nan 0.000 0.447 426 Q N 1.101 120.691 119.800 -0.350 0.000 2.364 426 Q HA -0.181 4.160 4.340 0.001 0.000 0.209 426 Q C 0.792 176.776 176.000 -0.027 0.000 0.977 426 Q CA 1.617 57.255 55.803 -0.274 0.000 0.885 426 Q CB -0.499 28.032 28.738 -0.346 0.000 0.941 426 Q HN 0.729 nan 8.270 nan 0.000 0.464 427 H N -0.109 119.007 119.070 0.077 0.000 2.553 427 H HA 0.314 4.871 4.556 0.001 0.000 0.265 427 H C 0.290 175.776 175.328 0.263 0.000 0.964 427 H CA -0.743 55.428 56.048 0.204 0.000 1.156 427 H CB 0.502 30.416 29.762 0.253 0.000 1.411 427 H HN 0.061 nan 8.280 nan 0.000 0.558 428 L N 2.544 123.834 121.223 0.112 0.000 2.483 428 L HA 0.053 4.394 4.340 0.001 0.000 0.276 428 L C -1.934 174.879 176.870 -0.095 0.000 1.213 428 L CA -1.951 52.724 54.840 -0.275 0.000 0.843 428 L CB 0.120 41.979 42.059 -0.333 0.000 1.107 428 L HN -0.063 nan 8.230 nan 0.000 0.487 429 P HA -0.075 nan 4.420 nan 0.000 0.261 429 P C -0.096 177.114 177.300 -0.150 0.000 1.173 429 P CA 0.113 63.116 63.100 -0.161 0.000 0.760 429 P CB 0.362 31.809 31.700 -0.421 0.000 0.783 430 K N 3.973 124.321 120.400 -0.087 0.000 2.211 430 K HA -0.143 4.178 4.320 0.001 0.000 0.203 430 K C 1.797 178.084 176.600 -0.522 0.000 1.050 430 K CA 1.293 57.414 56.287 -0.276 0.000 0.945 430 K CB -0.282 32.061 32.500 -0.262 0.000 0.732 430 K HN 0.564 nan 8.250 nan 0.000 0.451 431 R N 0.883 121.190 120.500 -0.320 0.000 2.200 431 R HA -0.043 4.298 4.340 0.001 0.000 0.234 431 R C 1.941 178.081 176.300 -0.267 0.000 1.127 431 R CA 0.969 56.904 56.100 -0.274 0.000 0.989 431 R CB -0.683 29.559 30.300 -0.096 0.000 0.869 431 R HN 0.106 nan 8.270 nan 0.000 0.459 432 L N 0.119 121.166 121.223 -0.294 0.000 2.395 432 L HA 0.020 4.361 4.340 0.001 0.000 0.218 432 L C 0.235 177.041 176.870 -0.107 0.000 1.130 432 L CA 0.264 54.997 54.840 -0.178 0.000 0.826 432 L CB -0.683 41.205 42.059 -0.285 0.000 0.941 432 L HN 0.359 nan 8.230 nan 0.000 0.451 433 H N -1.454 117.482 119.070 -0.223 0.000 2.655 433 H HA -0.256 4.301 4.556 0.001 0.000 0.313 433 H C -0.544 174.726 175.328 -0.097 0.000 1.141 433 H CA 0.649 56.498 56.048 -0.331 0.000 1.138 433 H CB -1.898 27.252 29.762 -1.020 0.000 1.446 433 H HN 0.343 nan 8.280 nan 0.000 0.415 434 Y N -0.601 119.626 120.300 -0.123 0.000 2.638 434 Y HA 0.542 5.093 4.550 0.001 0.000 0.367 434 Y C 0.400 176.241 175.900 -0.098 0.000 1.001 434 Y CA 0.176 58.231 58.100 -0.075 0.000 1.133 434 Y CB 0.158 38.598 38.460 -0.034 0.000 1.199 434 Y HN 0.345 nan 8.280 nan 0.000 0.642 435 A N 1.677 124.382 122.820 -0.191 0.000 1.806 435 A HA 0.089 4.409 4.320 0.001 0.000 0.193 435 A C 0.393 177.978 177.584 0.001 0.000 1.883 435 A CA -0.075 51.854 52.037 -0.179 0.000 1.434 435 A CB 0.009 18.935 19.000 -0.124 0.000 1.505 435 A HN 0.328 nan 8.150 nan 0.000 0.364 436 N N 2.586 121.336 118.700 0.083 0.000 3.254 436 N HA 0.161 4.902 4.740 0.001 0.000 0.308 436 N C -0.839 174.667 175.510 -0.007 0.000 1.281 436 N CA 0.153 53.273 53.050 0.116 0.000 1.212 436 N CB -0.555 37.957 38.487 0.042 0.000 1.478 436 N HN 0.439 nan 8.380 nan 0.000 0.548 437 N N 0.389 119.066 118.700 -0.039 0.000 2.431 437 N HA 0.079 4.820 4.740 0.001 0.000 0.275 437 N C 0.482 175.931 175.510 -0.102 0.000 1.091 437 N CA -0.353 52.639 53.050 -0.098 0.000 0.922 437 N CB 1.143 39.537 38.487 -0.154 0.000 1.666 437 N HN 0.398 nan 8.380 nan 0.000 0.484 438 R N 2.021 122.452 120.500 -0.115 0.000 2.285 438 R HA 0.058 4.399 4.340 0.001 0.000 0.213 438 R C 0.561 176.779 176.300 -0.138 0.000 1.068 438 R CA 0.839 56.868 56.100 -0.118 0.000 1.004 438 R CB 0.011 30.216 30.300 -0.157 0.000 0.873 438 R HN 0.412 nan 8.270 nan 0.000 0.467 439 R N 0.644 121.051 120.500 -0.156 0.000 2.297 439 R HA 0.280 4.621 4.340 0.001 0.000 0.197 439 R C 0.191 176.434 176.300 -0.094 0.000 0.943 439 R CA 0.134 56.160 56.100 -0.123 0.000 1.038 439 R CB 0.260 30.492 30.300 -0.113 0.000 0.957 439 R HN 0.189 nan 8.270 nan 0.000 0.484 440 I N 2.333 122.814 120.570 -0.148 0.000 2.301 440 I HA 0.068 4.239 4.170 0.001 0.000 0.292 440 I C -0.148 175.924 176.117 -0.075 0.000 1.046 440 I CA -0.599 60.596 61.300 -0.175 0.000 1.282 440 I CB 1.066 38.803 38.000 -0.438 0.000 1.409 440 I HN -0.075 nan 8.210 nan 0.000 0.484 441 E N 4.422 124.630 120.200 0.013 0.000 2.467 441 E HA -0.080 4.271 4.350 0.001 0.000 0.264 441 E C 0.606 177.229 176.600 0.038 0.000 1.020 441 E CA 0.213 56.638 56.400 0.041 0.000 0.945 441 E CB 0.446 30.188 29.700 0.070 0.000 0.942 441 E HN 0.406 nan 8.360 nan 0.000 0.449 442 D N 0.681 121.101 120.400 0.033 0.000 2.123 442 D HA -0.118 4.523 4.640 0.001 0.000 0.196 442 D C 0.393 176.729 176.300 0.060 0.000 0.992 442 D CA 0.894 54.897 54.000 0.005 0.000 0.833 442 D CB 0.001 40.817 40.800 0.027 0.000 0.954 442 D HN 0.150 nan 8.370 nan 0.000 0.455 443 L N 0.658 121.953 121.223 0.119 0.000 2.265 443 L HA 0.308 4.649 4.340 0.001 0.000 0.288 443 L C -0.787 176.196 176.870 0.190 0.000 1.058 443 L CA -0.311 54.617 54.840 0.146 0.000 0.809 443 L CB 0.909 43.055 42.059 0.145 0.000 1.179 443 L HN -0.094 nan 8.230 nan 0.000 0.429 444 H N 3.873 123.024 119.070 0.136 0.000 2.690 444 H HA 0.710 5.266 4.556 0.001 0.000 0.368 444 H C -1.417 174.031 175.328 0.199 0.000 1.150 444 H CA -0.643 55.506 56.048 0.169 0.000 1.174 444 H CB 1.512 31.396 29.762 0.205 0.000 1.684 444 H HN 0.615 nan 8.280 nan 0.000 0.538 445 L N 5.031 126.136 121.223 -0.196 0.000 2.325 445 L HA 0.348 4.689 4.340 0.001 0.000 0.281 445 L C -0.697 176.258 176.870 0.142 0.000 1.004 445 L CA -0.654 54.222 54.840 0.059 0.000 0.823 445 L CB 1.655 43.655 42.059 -0.098 0.000 1.236 445 L HN 0.399 nan 8.230 nan 0.000 0.415 446 L N 4.246 125.699 121.223 0.383 0.000 2.281 446 L HA 0.416 4.756 4.340 0.001 0.000 0.285 446 L C -0.296 176.779 176.870 0.341 0.000 1.074 446 L CA -0.460 54.585 54.840 0.343 0.000 0.817 446 L CB 1.676 43.893 42.059 0.263 0.000 1.168 446 L HN 0.352 nan 8.230 nan 0.000 0.434 447 V N 3.678 123.812 119.914 0.367 0.000 2.532 447 V HA 0.198 4.319 4.120 0.001 0.000 0.295 447 V C 0.315 176.659 176.094 0.417 0.000 1.041 447 V CA -0.807 61.749 62.300 0.426 0.000 0.926 447 V CB 1.785 33.883 31.823 0.457 0.000 0.992 447 V HN 0.701 nan 8.190 nan 0.000 0.457 448 E N 4.084 124.465 120.200 0.302 0.000 2.392 448 E HA 0.136 4.486 4.350 0.001 0.000 0.264 448 E C 0.449 177.024 176.600 -0.042 0.000 1.024 448 E CA -0.626 55.856 56.400 0.136 0.000 0.903 448 E CB 0.589 30.346 29.700 0.094 0.000 0.963 448 E HN 0.683 nan 8.360 nan 0.000 0.432 449 R N 3.804 124.068 120.500 -0.393 0.000 2.640 449 R HA -0.017 4.323 4.340 0.001 0.000 0.270 449 R C -0.006 176.061 176.300 -0.388 0.000 1.024 449 R CA 0.468 55.969 56.100 -0.997 0.000 1.085 449 R CB 0.425 30.388 30.300 -0.561 0.000 0.963 449 R HN 0.861 nan 8.270 nan 0.000 0.426 450 R N -0.701 119.553 120.500 -0.411 0.000 3.728 450 R HA -0.167 4.174 4.340 0.001 0.000 0.478 450 R C -1.051 175.189 176.300 -0.100 0.000 0.932 450 R CA 1.688 57.742 56.100 -0.076 0.000 1.317 450 R CB -1.658 28.602 30.300 -0.068 0.000 1.987 450 R HN 0.699 nan 8.270 nan 0.000 0.509 451 W N 0.145 121.493 121.300 0.079 0.000 2.719 451 W HA 0.550 5.211 4.660 0.001 0.000 0.352 451 W C 0.711 177.400 176.519 0.284 0.000 1.085 451 W CA -0.417 57.002 57.345 0.124 0.000 1.187 451 W CB 0.813 30.332 29.460 0.098 0.000 1.417 451 W HN -0.005 nan 8.180 nan 0.000 0.557 452 H N -0.009 119.267 119.070 0.343 0.000 2.621 452 H HA 0.628 5.184 4.556 0.001 0.000 0.360 452 H C -1.068 174.339 175.328 0.133 0.000 1.163 452 H CA -1.193 54.959 56.048 0.172 0.000 1.194 452 H CB 2.536 32.329 29.762 0.052 0.000 1.649 452 H HN 0.174 nan 8.280 nan 0.000 0.532 453 V N 1.935 121.912 119.914 0.105 0.000 2.495 453 V HA 0.794 4.915 4.120 0.001 0.000 0.298 453 V C -1.025 174.976 176.094 -0.154 0.000 1.031 453 V CA -0.170 62.073 62.300 -0.095 0.000 0.871 453 V CB 0.988 32.646 31.823 -0.275 0.000 0.988 453 V HN 0.885 nan 8.190 nan 0.000 0.432 454 A N 5.537 128.264 122.820 -0.155 0.000 2.527 454 A HA 0.698 5.019 4.320 0.001 0.000 0.293 454 A C 0.550 178.182 177.584 0.081 0.000 1.117 454 A CA -0.526 51.487 52.037 -0.040 0.000 0.723 454 A CB 1.673 20.700 19.000 0.045 0.000 1.313 454 A HN 0.893 nan 8.150 nan 0.000 0.411 455 R N -0.117 120.447 120.500 0.107 0.000 2.073 455 R HA 0.019 4.360 4.340 0.001 0.000 0.229 455 R C 0.227 176.653 176.300 0.210 0.000 1.120 455 R CA 1.994 58.158 56.100 0.106 0.000 0.967 455 R CB -0.098 30.231 30.300 0.049 0.000 0.862 455 R HN 0.750 nan 8.270 nan 0.000 0.436 456 K N -2.819 117.746 120.400 0.276 0.000 2.597 456 K HA 0.275 4.596 4.320 0.001 0.000 0.282 456 K C -2.687 173.852 176.600 -0.102 0.000 0.975 456 K CA -1.459 54.907 56.287 0.133 0.000 0.867 456 K CB 1.800 34.309 32.500 0.015 0.000 1.465 456 K HN -0.320 nan 8.250 nan 0.000 0.417 457 P HA -0.144 nan 4.420 nan 0.000 0.218 457 P C 1.167 178.322 177.300 -0.243 0.000 1.148 457 P CA 1.595 64.156 63.100 -0.898 0.000 0.822 457 P CB -0.266 30.936 31.700 -0.830 0.000 0.784 469 F N 1.412 121.293 119.950 -0.115 0.000 2.811 469 F HA 0.303 4.831 4.527 0.001 0.000 0.301 469 F C 0.737 176.537 175.800 0.001 0.000 1.151 469 F CA 0.085 58.056 58.000 -0.049 0.000 1.412 469 F CB 0.019 39.023 39.000 0.007 0.000 1.113 469 F HN 0.558 nan 8.300 nan 0.000 0.579 470 F N -1.023 118.992 119.950 0.108 0.000 2.576 470 F HA 0.504 5.032 4.527 0.001 0.000 0.313 470 F C -0.026 175.788 175.800 0.024 0.000 1.078 470 F CA -1.058 56.964 58.000 0.037 0.000 0.921 470 F CB 1.132 40.169 39.000 0.061 0.000 1.232 470 F HN -0.229 nan 8.300 nan 0.000 0.459 471 Q N 1.797 121.713 119.800 0.194 0.000 2.113 471 Q HA 0.357 4.698 4.340 0.001 0.000 0.225 471 Q C 0.037 176.157 176.000 0.199 0.000 0.786 471 Q CA -0.104 55.759 55.803 0.100 0.000 0.989 471 Q CB 2.079 30.855 28.738 0.063 0.000 1.174 471 Q HN 1.012 nan 8.270 nan 0.000 0.470 472 G N -0.074 108.897 108.800 0.284 0.000 2.620 472 G HA2 0.570 4.531 3.960 0.001 0.000 0.301 472 G HA3 0.570 4.531 3.960 0.001 0.000 0.301 472 G C -1.674 173.334 174.900 0.179 0.000 1.347 472 G CA -0.031 45.178 45.100 0.182 0.000 0.971 472 G HN -0.081 nan 8.290 nan 0.000 0.488 473 D N -1.304 119.164 120.400 0.115 0.000 2.713 473 D HA 0.536 5.177 4.640 0.001 0.000 0.306 473 D C -0.958 175.377 176.300 0.058 0.000 1.299 473 D CA -0.356 53.670 54.000 0.043 0.000 0.823 473 D CB 1.905 42.720 40.800 0.025 0.000 1.353 473 D HN 0.745 nan 8.370 nan 0.000 0.447 474 H N -2.286 116.722 119.070 -0.103 0.000 2.960 474 H HA 0.685 5.242 4.556 0.002 0.000 0.323 474 H C 0.373 175.463 175.328 -0.397 0.000 1.326 474 H CA -0.363 55.576 56.048 -0.182 0.000 1.124 474 H CB 1.578 31.230 29.762 -0.183 0.000 1.853 474 H HN 0.642 nan 8.280 nan 0.000 0.536 475 G N -0.788 107.838 108.800 -0.290 0.000 2.738 475 G HA2 -0.143 3.818 3.960 0.001 0.000 0.195 475 G HA3 -0.143 3.818 3.960 0.001 0.000 0.195 475 G C -0.405 174.373 174.900 -0.203 0.000 1.001 475 G CA -0.383 44.512 45.100 -0.343 0.000 0.759 475 G HN 0.431 nan 8.290 nan 0.000 0.494 476 F N 2.269 122.297 119.950 0.130 0.000 2.532 476 F HA 0.423 4.951 4.527 0.001 0.000 0.323 476 F C 1.131 177.134 175.800 0.337 0.000 1.234 476 F CA -0.214 57.927 58.000 0.234 0.000 1.323 476 F CB 0.220 39.321 39.000 0.167 0.000 1.183 476 F HN 0.012 nan 8.300 nan 0.000 0.589 477 D N 2.029 122.725 120.400 0.493 0.000 2.923 477 D HA -0.191 4.450 4.640 0.001 0.000 0.220 477 D C 1.053 177.484 176.300 0.218 0.000 1.099 477 D CA 0.153 54.254 54.000 0.168 0.000 0.807 477 D CB 0.163 40.979 40.800 0.026 0.000 1.155 477 D HN 0.599 nan 8.370 nan 0.000 0.524 478 N N 3.517 122.341 118.700 0.207 0.000 2.609 478 N HA -0.210 4.531 4.740 0.001 0.000 0.190 478 N C 1.119 176.699 175.510 0.117 0.000 1.157 478 N CA 0.713 53.874 53.050 0.186 0.000 0.918 478 N CB -0.261 38.347 38.487 0.201 0.000 0.978 478 N HN 0.651 nan 8.380 nan 0.000 0.448 479 K N -0.477 119.967 120.400 0.074 0.000 2.404 479 K HA 0.162 4.483 4.320 0.001 0.000 0.194 479 K C -0.095 176.527 176.600 0.037 0.000 1.023 479 K CA -0.276 56.043 56.287 0.053 0.000 1.094 479 K CB 0.279 32.801 32.500 0.037 0.000 0.841 479 K HN -0.117 nan 8.250 nan 0.000 0.523 480 V N 3.568 123.516 119.914 0.057 0.000 2.529 480 V HA -0.081 4.039 4.120 0.001 0.000 0.292 480 V C 0.878 176.972 176.094 -0.000 0.000 1.028 480 V CA -0.114 62.208 62.300 0.037 0.000 1.074 480 V CB 0.644 32.510 31.823 0.072 0.000 0.958 480 V HN 0.391 nan 8.190 nan 0.000 0.481 481 N N 3.384 122.059 118.700 -0.042 0.000 2.094 481 N HA -0.173 4.568 4.740 0.001 0.000 0.191 481 N C 2.102 177.564 175.510 -0.080 0.000 1.023 481 N CA 1.873 54.859 53.050 -0.108 0.000 0.857 481 N CB -0.286 38.149 38.487 -0.087 0.000 1.013 481 N HN 0.877 nan 8.380 nan 0.000 0.426 482 S N -0.578 115.115 115.700 -0.012 0.000 2.469 482 S HA -0.019 4.452 4.470 0.001 0.000 0.238 482 S C 1.646 176.262 174.600 0.027 0.000 0.998 482 S CA 0.686 58.889 58.200 0.004 0.000 0.957 482 S CB -0.083 63.151 63.200 0.056 0.000 0.764 482 S HN 0.134 nan 8.310 nan 0.000 0.514 483 M N 0.836 120.477 119.600 0.070 0.000 2.541 483 M HA 0.274 4.755 4.480 0.001 0.000 0.252 483 M C 0.321 176.671 176.300 0.083 0.000 1.125 483 M CA 0.440 55.816 55.300 0.128 0.000 1.091 483 M CB -0.898 31.818 32.600 0.193 0.000 1.420 483 M HN 0.301 nan 8.290 nan 0.000 0.486 484 Q N 0.413 120.214 119.800 0.002 0.000 2.421 484 Q HA 0.197 4.538 4.340 0.001 0.000 0.255 484 Q C 0.498 176.526 176.000 0.045 0.000 1.013 484 Q CA 0.484 56.294 55.803 0.012 0.000 0.895 484 Q CB 0.969 29.607 28.738 -0.166 0.000 1.271 484 Q HN 0.132 nan 8.270 nan 0.000 0.460 485 T N -0.764 113.853 114.554 0.105 0.000 2.633 485 T HA 0.680 5.031 4.350 0.001 0.000 0.262 485 T C -0.917 173.874 174.700 0.152 0.000 0.920 485 T CA -0.441 61.723 62.100 0.108 0.000 1.062 485 T CB 1.133 70.042 68.868 0.068 0.000 1.390 485 T HN 0.419 nan 8.240 nan 0.000 0.549 486 V N 0.534 120.529 119.914 0.134 0.000 2.769 486 V HA 0.925 5.046 4.120 0.001 0.000 0.312 486 V C -1.116 175.068 176.094 0.150 0.000 1.058 486 V CA -0.921 61.465 62.300 0.145 0.000 0.952 486 V CB 1.369 33.253 31.823 0.101 0.000 1.019 486 V HN 0.760 nan 8.190 nan 0.000 0.445 487 F N 2.826 122.806 119.950 0.050 0.000 2.588 487 F HA 0.828 5.355 4.527 0.001 0.000 0.318 487 F C -1.325 174.558 175.800 0.138 0.000 1.155 487 F CA -0.484 57.568 58.000 0.086 0.000 0.967 487 F CB 1.956 41.020 39.000 0.106 0.000 1.236 487 F HN 0.539 nan 8.300 nan 0.000 0.455 488 V N 4.419 123.777 119.914 -0.926 0.000 2.760 488 V HA 0.844 4.965 4.120 0.001 0.000 0.309 488 V C -0.259 175.107 176.094 -1.213 0.000 1.077 488 V CA -0.608 61.228 62.300 -0.774 0.000 0.910 488 V CB 1.908 33.556 31.823 -0.292 0.000 1.008 488 V HN 1.052 nan 8.190 nan 0.000 0.424 489 G N 2.183 110.337 108.800 -1.076 0.000 2.530 489 G HA2 0.650 4.611 3.960 0.001 0.000 0.316 489 G HA3 0.650 4.611 3.960 0.001 0.000 0.316 489 G C -2.026 172.423 174.900 -0.752 0.000 1.298 489 G CA -0.503 43.698 45.100 -1.499 0.000 0.948 489 G HN 0.654 nan 8.290 nan 0.000 0.486 490 Y N 1.509 121.565 120.300 -0.407 0.000 2.421 490 Y HA 0.680 5.230 4.550 -0.001 0.000 0.339 490 Y C 0.222 176.259 175.900 0.228 0.000 0.996 490 Y CA 0.367 58.465 58.100 -0.003 0.000 1.046 490 Y CB 2.139 40.580 38.460 -0.032 0.000 1.226 490 Y HN 1.283 nan 8.280 nan 0.000 0.445 491 G N 5.038 113.731 108.800 -0.179 0.000 2.369 491 G HA2 0.016 3.976 3.960 0.001 0.000 0.295 491 G HA3 0.016 3.976 3.960 0.001 0.000 0.295 491 G C -2.798 172.086 174.900 -0.027 0.000 1.298 491 G CA -0.518 44.541 45.100 -0.069 0.000 0.940 491 G HN 0.332 nan 8.290 nan 0.000 0.536 492 P HA -0.009 nan 4.420 nan 0.000 0.220 492 P C 1.487 178.770 177.300 -0.027 0.000 1.148 492 P CA 2.121 65.199 63.100 -0.037 0.000 0.803 492 P CB 0.006 31.686 31.700 -0.033 0.000 0.782 493 T N -1.648 112.876 114.554 -0.050 0.000 3.054 493 T HA 0.108 4.459 4.350 0.001 0.000 0.259 493 T C 0.640 175.210 174.700 -0.216 0.000 1.092 493 T CA 0.259 62.266 62.100 -0.156 0.000 1.121 493 T CB -0.374 68.348 68.868 -0.244 0.000 0.912 493 T HN -0.042 nan 8.240 nan 0.000 0.489 494 F N 1.802 121.769 119.950 0.029 0.000 2.380 494 F HA 0.360 4.886 4.527 -0.001 0.000 0.325 494 F C 1.035 176.868 175.800 0.054 0.000 1.136 494 F CA -1.016 57.018 58.000 0.056 0.000 1.171 494 F CB 0.728 39.780 39.000 0.086 0.000 1.230 494 F HN -0.313 nan 8.300 nan 0.000 0.554 495 K N 0.615 121.200 120.400 0.308 0.000 2.230 495 K HA 0.060 4.380 4.320 0.001 0.000 0.253 495 K C -1.116 175.633 176.600 0.248 0.000 1.008 495 K CA -0.264 56.158 56.287 0.225 0.000 0.910 495 K CB 0.483 33.095 32.500 0.188 0.000 0.994 495 K HN 0.589 nan 8.250 nan 0.000 0.495 496 Y N 0.766 121.115 120.300 0.082 0.000 2.330 496 Y HA 0.145 4.693 4.550 -0.003 0.000 0.336 496 Y C -0.128 175.824 175.900 0.086 0.000 1.036 496 Y CA -0.470 57.668 58.100 0.065 0.000 1.125 496 Y CB 0.879 39.359 38.460 0.033 0.000 1.194 496 Y HN 0.583 nan 8.280 nan 0.000 0.469 497 R N 3.039 123.292 120.500 -0.411 0.000 3.158 497 R HA -0.170 4.171 4.340 0.001 0.000 0.244 497 R C -1.050 175.210 176.300 -0.067 0.000 0.900 497 R CA 1.143 57.044 56.100 -0.332 0.000 0.618 497 R CB -1.957 27.977 30.300 -0.611 0.000 1.061 497 R HN 0.673 nan 8.270 nan 0.000 0.471 498 T N 0.364 114.950 114.554 0.053 0.000 2.848 498 T HA 0.364 4.715 4.350 0.001 0.000 0.285 498 T C -0.299 174.457 174.700 0.093 0.000 0.995 498 T CA -0.786 61.366 62.100 0.087 0.000 0.970 498 T CB 2.307 71.243 68.868 0.114 0.000 0.976 498 T HN 0.183 nan 8.240 nan 0.000 0.441 499 K N 2.709 123.118 120.400 0.016 0.000 2.159 499 K HA 0.717 5.037 4.320 0.001 0.000 0.266 499 K C -0.442 176.120 176.600 -0.064 0.000 0.975 499 K CA -0.703 55.465 56.287 -0.197 0.000 0.865 499 K CB 0.863 33.248 32.500 -0.191 0.000 1.087 499 K HN 0.477 nan 8.250 nan 0.000 0.446 500 V N 0.872 120.754 119.914 -0.053 0.000 2.960 500 V HA 0.693 4.814 4.120 0.001 0.000 0.315 500 V C -2.630 173.505 176.094 0.068 0.000 1.087 500 V CA -2.555 59.808 62.300 0.106 0.000 0.982 500 V CB 1.282 33.253 31.823 0.247 0.000 1.039 500 V HN 0.759 nan 8.190 nan 0.000 0.437 501 P HA 0.333 nan 4.420 nan 0.000 0.272 501 P C -2.768 174.561 177.300 0.048 0.000 1.240 501 P CA -1.404 61.714 63.100 0.029 0.000 0.791 501 P CB -0.467 31.247 31.700 0.024 0.000 0.978 502 P HA 0.129 nan 4.420 nan 0.000 0.269 502 P C -0.686 176.591 177.300 -0.039 0.000 1.215 502 P CA 0.548 63.438 63.100 -0.350 0.000 0.780 502 P CB 0.073 31.198 31.700 -0.958 0.000 0.898 503 F N -1.963 117.923 119.950 -0.106 0.000 2.715 503 F HA 0.616 5.143 4.527 0.001 0.000 0.318 503 F C -0.635 175.159 175.800 -0.010 0.000 1.141 503 F CA -1.367 56.606 58.000 -0.045 0.000 0.950 503 F CB 1.124 40.082 39.000 -0.070 0.000 1.374 503 F HN 0.138 nan 8.300 nan 0.000 0.477 504 E N 0.925 121.277 120.200 0.253 0.000 2.242 504 E HA 0.152 4.503 4.350 0.001 0.000 0.275 504 E C 0.120 176.856 176.600 0.227 0.000 1.002 504 E CA -0.535 55.961 56.400 0.160 0.000 0.841 504 E CB 1.133 30.937 29.700 0.172 0.000 1.109 504 E HN 0.713 nan 8.360 nan 0.000 0.394 505 N N 3.327 122.110 118.700 0.138 0.000 2.453 505 N HA -0.177 4.564 4.740 0.001 0.000 0.183 505 N C 1.584 177.182 175.510 0.147 0.000 1.041 505 N CA 1.079 54.228 53.050 0.165 0.000 0.900 505 N CB -0.589 37.982 38.487 0.139 0.000 0.961 505 N HN 0.656 nan 8.380 nan 0.000 0.443 506 I N -2.481 118.147 120.570 0.098 0.000 2.700 506 I HA -0.017 4.154 4.170 0.001 0.000 0.261 506 I C 1.066 177.179 176.117 -0.005 0.000 1.219 506 I CA 1.211 62.505 61.300 -0.010 0.000 1.463 506 I CB -0.199 37.711 38.000 -0.150 0.000 1.092 506 I HN -0.131 nan 8.210 nan 0.000 0.452 507 E N 1.393 121.627 120.200 0.056 0.000 2.371 507 E HA 0.067 4.418 4.350 0.001 0.000 0.194 507 E C 2.254 178.825 176.600 -0.049 0.000 1.012 507 E CA 0.579 56.971 56.400 -0.014 0.000 0.860 507 E CB 0.025 29.709 29.700 -0.026 0.000 0.811 507 E HN 0.605 nan 8.360 nan 0.000 0.502 508 L N -0.070 121.181 121.223 0.047 0.000 2.156 508 L HA -0.135 4.206 4.340 0.001 0.000 0.208 508 L C 2.439 179.341 176.870 0.054 0.000 1.095 508 L CA 0.783 55.655 54.840 0.054 0.000 0.770 508 L CB -0.369 41.800 42.059 0.184 0.000 0.914 508 L HN 0.132 nan 8.230 nan 0.000 0.439 509 Y N 1.218 121.477 120.300 -0.069 0.000 2.128 509 Y HA -0.334 4.217 4.550 0.002 0.000 0.284 509 Y C 2.478 178.268 175.900 -0.182 0.000 1.154 509 Y CA 1.885 59.920 58.100 -0.108 0.000 1.149 509 Y CB -0.171 38.196 38.460 -0.154 0.000 0.976 509 Y HN 0.222 nan 8.280 nan 0.000 0.505 510 N N 0.146 118.687 118.700 -0.264 0.000 2.061 510 N HA -0.200 4.540 4.740 0.001 0.000 0.193 510 N C 1.925 177.171 175.510 -0.439 0.000 1.030 510 N CA 1.908 54.606 53.050 -0.585 0.000 0.856 510 N CB -0.710 37.311 38.487 -0.777 0.000 1.023 510 N HN 0.345 nan 8.380 nan 0.000 0.424 511 V N 1.498 121.262 119.914 -0.249 0.000 2.427 511 V HA -0.151 3.970 4.120 0.001 0.000 0.248 511 V C 2.300 178.338 176.094 -0.093 0.000 1.051 511 V CA 1.241 63.459 62.300 -0.136 0.000 1.048 511 V CB -0.379 31.379 31.823 -0.109 0.000 0.666 511 V HN 0.293 nan 8.190 nan 0.000 0.456 512 M N -1.309 118.243 119.600 -0.081 0.000 2.175 512 M HA -0.179 4.302 4.480 0.001 0.000 0.264 512 M C 2.377 178.601 176.300 -0.127 0.000 1.063 512 M CA 1.538 56.820 55.300 -0.030 0.000 1.119 512 M CB -0.687 31.941 32.600 0.046 0.000 1.377 512 M HN 0.406 nan 8.290 nan 0.000 0.415 513 C N 0.710 119.831 119.300 -0.298 0.000 2.432 513 C HA -0.141 4.319 4.460 0.001 0.000 0.277 513 C C 2.266 177.172 174.990 -0.140 0.000 1.249 513 C CA 0.816 59.659 59.018 -0.292 0.000 1.725 513 C CB -0.972 26.483 27.740 -0.475 0.000 2.028 513 C HN 0.540 nan 8.230 nan 0.000 0.477 514 D N 0.984 121.320 120.400 -0.106 0.000 2.133 514 D HA -0.123 4.518 4.640 0.001 0.000 0.195 514 D C 1.906 178.184 176.300 -0.037 0.000 0.997 514 D CA 1.229 55.219 54.000 -0.018 0.000 0.840 514 D CB -0.501 40.313 40.800 0.023 0.000 0.947 514 D HN 0.457 nan 8.370 nan 0.000 0.452 515 L N -0.147 121.041 121.223 -0.058 0.000 2.362 515 L HA -0.055 4.286 4.340 0.001 0.000 0.219 515 L C 1.901 178.769 176.870 -0.004 0.000 1.134 515 L CA 0.441 55.251 54.840 -0.050 0.000 0.807 515 L CB -0.011 42.024 42.059 -0.041 0.000 0.927 515 L HN -0.002 nan 8.230 nan 0.000 0.447 516 L N -1.122 120.097 121.223 -0.007 0.000 2.766 516 L HA 0.317 4.658 4.340 0.001 0.000 0.242 516 L C 1.206 178.075 176.870 -0.002 0.000 1.136 516 L CA 0.118 54.965 54.840 0.010 0.000 0.933 516 L CB 0.310 42.375 42.059 0.010 0.000 1.241 516 L HN 0.277 nan 8.230 nan 0.000 0.522 517 G N 1.396 110.191 108.800 -0.008 0.000 2.246 517 G HA2 -0.268 3.693 3.960 0.001 0.000 0.273 517 G HA3 -0.268 3.693 3.960 0.001 0.000 0.273 517 G C -0.070 174.824 174.900 -0.010 0.000 1.055 517 G CA 0.113 45.213 45.100 -0.000 0.000 0.851 517 G HN 0.232 nan 8.290 nan 0.000 0.500 518 L N -0.871 120.329 121.223 -0.038 0.000 2.344 518 L HA 0.539 4.879 4.340 0.001 0.000 0.272 518 L C 0.709 177.544 176.870 -0.058 0.000 1.035 518 L CA -0.981 53.823 54.840 -0.060 0.000 0.807 518 L CB 1.445 43.437 42.059 -0.111 0.000 1.237 518 L HN 0.001 nan 8.230 nan 0.000 0.442 519 K N 2.739 123.115 120.400 -0.040 0.000 2.248 519 K HA 0.348 4.668 4.320 0.001 0.000 0.281 519 K C -2.390 174.170 176.600 -0.067 0.000 1.054 519 K CA -1.666 54.609 56.287 -0.020 0.000 0.903 519 K CB 0.930 33.441 32.500 0.017 0.000 1.077 519 K HN 0.212 nan 8.250 nan 0.000 0.474 520 P HA 0.049 nan 4.420 nan 0.000 0.275 520 P C -0.719 176.614 177.300 0.054 0.000 1.227 520 P CA -0.362 62.676 63.100 -0.102 0.000 0.781 520 P CB 0.895 32.467 31.700 -0.213 0.000 0.906 521 A N 4.862 127.781 122.820 0.165 0.000 2.386 521 A HA 0.361 4.682 4.320 0.001 0.000 0.246 521 A C -2.067 175.528 177.584 0.017 0.000 1.089 521 A CA -1.052 51.017 52.037 0.054 0.000 0.790 521 A CB -1.466 17.529 19.000 -0.008 0.000 1.042 521 A HN 0.421 nan 8.150 nan 0.000 0.497 522 P HA 0.179 nan 4.420 nan 0.000 0.263 522 P C -0.682 176.551 177.300 -0.112 0.000 1.195 522 P CA 0.389 63.457 63.100 -0.053 0.000 0.762 522 P CB 0.322 31.993 31.700 -0.048 0.000 0.799 523 N N 0.802 119.432 118.700 -0.118 0.000 3.243 523 N HA 0.252 4.993 4.740 0.001 0.000 0.280 523 N C -0.355 175.037 175.510 -0.196 0.000 1.545 523 N CA -0.878 52.055 53.050 -0.196 0.000 0.854 523 N CB 0.424 38.760 38.487 -0.253 0.000 1.612 523 N HN -0.030 nan 8.380 nan 0.000 0.577 524 N N -1.795 116.728 118.700 -0.296 0.000 2.353 524 N HA 0.194 4.935 4.740 0.001 0.000 0.185 524 N C 0.558 175.933 175.510 -0.225 0.000 1.098 524 N CA -0.009 52.829 53.050 -0.353 0.000 0.872 524 N CB 0.318 38.302 38.487 -0.840 0.000 0.970 524 N HN 0.600 nan 8.380 nan 0.000 0.467 525 G N -0.099 108.598 108.800 -0.173 0.000 2.699 525 G HA2 0.148 4.109 3.960 0.001 0.000 0.246 525 G HA3 0.148 4.109 3.960 0.001 0.000 0.246 525 G C -0.416 174.458 174.900 -0.044 0.000 1.219 525 G CA -0.070 44.971 45.100 -0.098 0.000 0.866 525 G HN 0.003 nan 8.290 nan 0.000 0.572 526 T N 0.279 114.823 114.554 -0.017 0.000 2.842 526 T HA 0.226 4.576 4.350 0.001 0.000 0.308 526 T C -0.222 174.492 174.700 0.024 0.000 1.041 526 T CA -0.226 61.887 62.100 0.021 0.000 0.964 526 T CB 0.306 69.192 68.868 0.031 0.000 0.972 526 T HN 0.579 nan 8.240 nan 0.000 0.460 527 H N 1.765 120.762 119.070 -0.123 0.000 2.899 527 H HA 0.411 4.968 4.556 0.001 0.000 0.303 527 H C 1.362 176.663 175.328 -0.045 0.000 1.042 527 H CA 0.934 56.838 56.048 -0.240 0.000 1.479 527 H CB 0.138 29.531 29.762 -0.616 0.000 1.493 527 H HN 0.991 nan 8.280 nan 0.000 0.534 528 G N 2.430 111.351 108.800 0.203 0.000 2.316 528 G HA2 -0.370 3.591 3.960 0.001 0.000 0.203 528 G HA3 -0.370 3.591 3.960 0.001 0.000 0.203 528 G C 1.361 176.276 174.900 0.024 0.000 0.999 528 G CA 0.369 45.542 45.100 0.122 0.000 0.649 528 G HN 0.671 nan 8.290 nan 0.000 0.489 529 S N 0.091 115.792 115.700 0.002 0.000 2.474 529 S HA 0.215 4.686 4.470 0.001 0.000 0.235 529 S C 1.800 176.407 174.600 0.011 0.000 0.997 529 S CA 1.327 59.528 58.200 0.002 0.000 0.949 529 S CB -0.158 63.041 63.200 -0.001 0.000 0.766 529 S HN 0.557 nan 8.310 nan 0.000 0.517 530 L N 0.935 122.088 121.223 -0.118 0.000 2.910 530 L HA 0.341 4.681 4.340 0.001 0.000 0.252 530 L C 1.203 177.877 176.870 -0.326 0.000 1.195 530 L CA -0.253 54.359 54.840 -0.380 0.000 1.003 530 L CB -0.286 41.466 42.059 -0.512 0.000 1.328 530 L HN 0.156 nan 8.230 nan 0.000 0.540 531 N N 0.806 119.448 118.700 -0.097 0.000 2.205 531 N HA -0.205 4.535 4.740 0.001 0.000 0.186 531 N C 1.797 177.277 175.510 -0.049 0.000 1.015 531 N CA 1.268 54.293 53.050 -0.041 0.000 0.862 531 N CB -0.196 38.306 38.487 0.024 0.000 0.986 531 N HN 0.554 nan 8.380 nan 0.000 0.429 532 H N -0.975 118.076 119.070 -0.031 0.000 2.561 532 H HA 0.023 4.579 4.556 0.000 0.000 0.278 532 H C 1.248 176.591 175.328 0.025 0.000 1.014 532 H CA 0.374 56.417 56.048 -0.009 0.000 1.211 532 H CB -0.205 29.545 29.762 -0.020 0.000 1.365 532 H HN 0.102 nan 8.280 nan 0.000 0.594 533 L N 0.641 121.697 121.223 -0.278 0.000 2.509 533 L HA 0.185 4.525 4.340 0.001 0.000 0.222 533 L C 0.693 177.641 176.870 0.129 0.000 1.123 533 L CA 0.558 55.381 54.840 -0.029 0.000 0.856 533 L CB -0.029 42.010 42.059 -0.032 0.000 0.985 533 L HN 0.164 nan 8.230 nan 0.000 0.456 534 L N -1.259 119.970 121.223 0.010 0.000 2.334 534 L HA 0.400 4.741 4.340 0.001 0.000 0.276 534 L C 1.430 178.300 176.870 0.000 0.000 1.014 534 L CA -0.413 54.405 54.840 -0.038 0.000 0.815 534 L CB 1.955 43.943 42.059 -0.118 0.000 1.268 534 L HN -0.064 nan 8.230 nan 0.000 0.428 535 R N 0.633 121.131 120.500 -0.003 0.000 2.093 535 R HA 0.046 4.387 4.340 0.001 0.000 0.224 535 R C 0.454 176.745 176.300 -0.015 0.000 1.101 535 R CA 1.081 57.186 56.100 0.009 0.000 0.979 535 R CB 0.437 30.746 30.300 0.016 0.000 0.877 535 R HN 0.727 nan 8.270 nan 0.000 0.441 536 T N -1.628 112.900 114.554 -0.043 0.000 2.754 536 T HA 0.247 4.598 4.350 0.001 0.000 0.296 536 T C -1.214 173.451 174.700 -0.057 0.000 1.205 536 T CA -0.322 61.753 62.100 -0.040 0.000 1.009 536 T CB 1.488 70.335 68.868 -0.035 0.000 1.368 536 T HN 0.385 nan 8.240 nan 0.000 0.509 537 N N 0.680 119.357 118.700 -0.039 0.000 2.850 537 N HA -0.129 4.612 4.740 0.001 0.000 0.249 537 N C 0.044 175.550 175.510 -0.007 0.000 1.060 537 N CA 1.512 54.544 53.050 -0.029 0.000 0.825 537 N CB -1.893 36.562 38.487 -0.053 0.000 1.132 537 N HN 0.927 nan 8.380 nan 0.000 0.564 538 T N -2.271 112.277 114.554 -0.010 0.000 2.855 538 T HA 0.300 4.651 4.350 0.001 0.000 0.314 538 T C 0.195 174.921 174.700 0.044 0.000 1.077 538 T CA -0.508 61.601 62.100 0.014 0.000 1.095 538 T CB 0.901 69.766 68.868 -0.005 0.000 0.987 538 T HN 0.205 nan 8.240 nan 0.000 0.546 539 F N 1.571 121.443 119.950 -0.129 0.000 2.415 539 F HA 0.453 4.980 4.527 0.001 0.000 0.348 539 F C 0.587 176.272 175.800 -0.192 0.000 1.119 539 F CA -1.418 56.436 58.000 -0.242 0.000 1.069 539 F CB 1.128 39.755 39.000 -0.622 0.000 1.124 539 F HN 0.640 nan 8.300 nan 0.000 0.472 540 R N 8.418 128.454 120.500 -0.774 0.000 2.220 540 R HA 0.332 4.673 4.340 0.001 0.000 0.340 540 R C -2.516 173.300 176.300 -0.808 0.000 1.076 540 R CA -1.694 54.070 56.100 -0.561 0.000 0.920 540 R CB 0.309 30.402 30.300 -0.344 0.000 1.062 540 R HN 0.430 nan 8.270 nan 0.000 0.469 541 P HA 0.119 nan 4.420 nan 0.000 0.276 541 P C -0.971 176.416 177.300 0.145 0.000 1.244 541 P CA -0.285 62.781 63.100 -0.057 0.000 0.801 541 P CB 1.480 33.207 31.700 0.044 0.000 1.006 542 T N -0.876 113.812 114.554 0.223 0.000 2.841 542 T HA 0.422 4.773 4.350 0.001 0.000 0.283 542 T C 0.156 174.955 174.700 0.166 0.000 1.000 542 T CA -0.951 61.230 62.100 0.135 0.000 0.977 542 T CB 0.481 69.371 68.868 0.037 0.000 0.979 542 T HN 0.200 nan 8.240 nan 0.000 0.446 543 L N 4.684 125.823 121.223 -0.139 0.000 2.578 543 L HA 0.237 4.578 4.340 0.001 0.000 0.279 543 L C -1.395 175.468 176.870 -0.010 0.000 1.227 543 L CA -1.370 53.343 54.840 -0.210 0.000 0.900 543 L CB 0.397 42.262 42.059 -0.324 0.000 1.144 543 L HN 0.614 nan 8.230 nan 0.000 0.496 544 P HA 0.083 nan 4.420 nan 0.000 0.271 544 P C -0.882 176.434 177.300 0.027 0.000 1.216 544 P CA -0.273 62.864 63.100 0.062 0.000 0.771 544 P CB 0.589 32.340 31.700 0.086 0.000 0.864 545 E N 1.037 121.256 120.200 0.031 0.000 2.338 545 E HA 0.063 4.414 4.350 0.001 0.000 0.272 545 E C 0.236 176.854 176.600 0.029 0.000 1.029 545 E CA -0.347 56.067 56.400 0.023 0.000 0.872 545 E CB 0.635 30.351 29.700 0.026 0.000 1.015 545 E HN 0.455 nan 8.360 nan 0.000 0.417 546 E N 2.169 122.385 120.200 0.027 0.000 2.384 546 E HA -0.023 4.327 4.350 0.001 0.000 0.266 546 E C 0.117 176.740 176.600 0.039 0.000 1.012 546 E CA -0.216 56.203 56.400 0.033 0.000 0.901 546 E CB 0.802 30.530 29.700 0.047 0.000 0.967 546 E HN 0.299 nan 8.360 nan 0.000 0.435 547 V N 2.703 122.637 119.914 0.033 0.000 2.795 547 V HA 0.030 4.151 4.120 0.001 0.000 0.243 547 V C 0.125 176.238 176.094 0.031 0.000 1.069 547 V CA 0.638 62.958 62.300 0.033 0.000 1.089 547 V CB 0.853 32.699 31.823 0.038 0.000 0.756 547 V HN 0.513 nan 8.190 nan 0.000 0.471 548 S N 0.684 116.404 115.700 0.033 0.000 2.640 548 S HA 0.652 5.123 4.470 0.001 0.000 0.320 548 S C 0.136 174.834 174.600 0.163 0.000 1.097 548 S CA -0.492 57.753 58.200 0.075 0.000 1.092 548 S CB 1.292 64.520 63.200 0.047 0.000 0.988 548 S HN 0.509 nan 8.310 nan 0.000 0.470 549 R N 3.698 124.249 120.500 0.085 0.000 2.539 549 R HA 0.667 5.008 4.340 0.001 0.000 0.275 549 R C -2.788 173.425 176.300 -0.145 0.000 1.077 549 R CA -1.542 54.588 56.100 0.049 0.000 1.097 549 R CB -1.199 29.132 30.300 0.052 0.000 1.018 549 R HN 0.510 nan 8.270 nan 0.000 0.483 550 P HA 0.260 nan 4.420 nan 0.000 0.279 550 P C -1.103 175.802 177.300 -0.659 0.000 1.252 550 P CA -0.760 61.755 63.100 -0.975 0.000 0.811 550 P CB 0.877 31.962 31.700 -1.025 0.000 1.035 551 N N 0.648 118.959 118.700 -0.648 0.000 2.508 551 N HA 0.206 4.947 4.740 0.001 0.000 0.285 551 N C -0.723 174.483 175.510 -0.506 0.000 1.144 551 N CA -0.006 52.831 53.050 -0.354 0.000 0.978 551 N CB 0.460 38.832 38.487 -0.192 0.000 1.180 551 N HN 0.402 nan 8.380 nan 0.000 0.484 552 Y N 0.640 120.916 120.300 -0.040 0.000 2.837 552 Y HA 0.291 4.842 4.550 0.001 0.000 0.356 552 Y C -1.710 174.205 175.900 0.026 0.000 1.035 552 Y CA -1.789 56.317 58.100 0.010 0.000 1.165 552 Y CB 0.277 38.780 38.460 0.072 0.000 1.147 552 Y HN 0.251 nan 8.280 nan 0.000 0.628 553 P HA 0.228 nan 4.420 nan 0.000 0.276 553 P C 0.458 177.816 177.300 0.097 0.000 1.243 553 P CA 0.130 63.285 63.100 0.091 0.000 0.768 553 P CB 1.701 33.448 31.700 0.078 0.000 0.856 554 G N 2.702 111.554 108.800 0.085 0.000 2.537 554 G HA2 0.442 4.402 3.960 0.001 0.000 0.297 554 G HA3 0.442 4.402 3.960 0.001 0.000 0.297 554 G C 0.028 174.964 174.900 0.059 0.000 1.310 554 G CA -1.055 44.084 45.100 0.066 0.000 1.027 554 G HN 0.496 nan 8.290 nan 0.000 0.505 555 I N -0.026 120.570 120.570 0.044 0.000 2.710 555 I HA 0.048 4.219 4.170 0.001 0.000 0.286 555 I C 0.825 176.942 176.117 -0.001 0.000 1.181 555 I CA 0.766 62.097 61.300 0.051 0.000 1.430 555 I CB 1.075 39.099 38.000 0.040 0.000 1.367 555 I HN 0.485 nan 8.210 nan 0.000 0.577 556 M N 5.598 125.185 119.600 -0.022 0.000 2.204 556 M HA 0.222 4.703 4.480 0.001 0.000 0.407 556 M C -1.253 174.656 176.300 -0.652 0.000 0.920 556 M CA 0.033 55.136 55.300 -0.329 0.000 1.037 556 M CB 0.795 33.126 32.600 -0.448 0.000 2.010 556 M HN 0.441 nan 8.290 nan 0.000 0.674 557 Y N -0.561 119.781 120.300 0.070 0.000 2.588 557 Y HA 0.646 5.197 4.550 0.001 0.000 0.343 557 Y C -1.044 174.929 175.900 0.122 0.000 1.065 557 Y CA -1.215 56.922 58.100 0.061 0.000 1.038 557 Y CB 1.356 39.842 38.460 0.044 0.000 1.297 557 Y HN -0.205 nan 8.280 nan 0.000 0.467 558 L N 0.655 122.034 121.223 0.260 0.000 2.322 558 L HA 0.557 4.898 4.340 0.001 0.000 0.269 558 L C 1.455 178.516 176.870 0.319 0.000 1.012 558 L CA -0.320 54.649 54.840 0.215 0.000 0.815 558 L CB 1.099 43.226 42.059 0.114 0.000 1.295 558 L HN 0.856 nan 8.230 nan 0.000 0.438 559 Q N 0.628 120.587 119.800 0.265 0.000 2.197 559 Q HA -0.197 4.144 4.340 0.001 0.000 0.207 559 Q C 1.886 178.057 176.000 0.284 0.000 0.984 559 Q CA 2.194 58.172 55.803 0.290 0.000 0.869 559 Q CB -1.318 27.501 28.738 0.136 0.000 0.906 559 Q HN 0.871 nan 8.270 nan 0.000 0.426 560 S N 0.427 116.229 115.700 0.171 0.000 2.447 560 S HA -0.121 4.350 4.470 0.001 0.000 0.233 560 S C 1.127 175.772 174.600 0.075 0.000 1.006 560 S CA 1.014 59.279 58.200 0.108 0.000 0.957 560 S CB -0.054 63.186 63.200 0.066 0.000 0.773 560 S HN 0.672 nan 8.310 nan 0.000 0.507 561 D N 0.687 121.118 120.400 0.051 0.000 2.348 561 D HA 0.152 4.793 4.640 0.001 0.000 0.216 561 D C -0.443 175.659 176.300 -0.331 0.000 0.970 561 D CA 0.466 54.376 54.000 -0.150 0.000 0.889 561 D CB -0.143 40.533 40.800 -0.207 0.000 0.912 561 D HN 0.425 nan 8.370 nan 0.000 0.524 562 F N 0.556 120.507 119.950 0.003 0.000 2.420 562 F HA 0.268 4.796 4.527 0.001 0.000 0.342 562 F C 0.455 176.251 175.800 -0.007 0.000 1.113 562 F CA -1.008 56.980 58.000 -0.019 0.000 1.059 562 F CB 1.492 40.483 39.000 -0.015 0.000 1.128 562 F HN -0.375 nan 8.300 nan 0.000 0.475 563 D N 4.273 124.760 120.400 0.145 0.000 2.443 563 D HA 0.339 4.980 4.640 0.001 0.000 0.281 563 D C -0.072 176.282 176.300 0.091 0.000 1.210 563 D CA 0.016 54.072 54.000 0.093 0.000 0.875 563 D CB 0.319 41.141 40.800 0.038 0.000 1.125 563 D HN 0.479 nan 8.370 nan 0.000 0.503 564 L N 0.834 122.124 121.223 0.110 0.000 2.672 564 L HA 0.419 4.759 4.340 0.001 0.000 0.236 564 L C 1.700 178.613 176.870 0.071 0.000 1.092 564 L CA 0.251 55.147 54.840 0.093 0.000 0.887 564 L CB 0.468 42.593 42.059 0.109 0.000 1.168 564 L HN 0.509 nan 8.230 nan 0.000 0.502 565 G N -0.088 108.752 108.800 0.066 0.000 2.175 565 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 565 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 565 G C 0.233 175.170 174.900 0.062 0.000 0.982 565 G CA -0.075 45.062 45.100 0.061 0.000 0.641 565 G HN 0.293 nan 8.290 nan 0.000 0.527 566 c N 1.878 120.511 118.600 0.055 0.000 2.536 566 c HA 0.783 5.354 4.570 0.001 0.000 0.396 566 c C 0.913 175.027 174.090 0.041 0.000 1.279 566 c CA 0.445 56.799 56.329 0.042 0.000 2.148 566 c CB 0.430 42.952 42.510 0.021 0.000 2.584 566 c HN 0.907 nan 8.230 nan 0.000 0.579 567 T N -0.255 114.325 114.554 0.043 0.000 2.886 567 T HA 0.539 4.890 4.350 0.001 0.000 0.292 567 T C -0.980 173.736 174.700 0.027 0.000 1.012 567 T CA -0.608 61.515 62.100 0.037 0.000 0.982 567 T CB 1.289 70.182 68.868 0.042 0.000 1.018 567 T HN 0.792 nan 8.240 nan 0.000 0.451 568 c N 3.352 121.965 118.600 0.022 0.000 2.344 568 c HA 0.492 5.063 4.570 0.001 0.000 0.326 568 c C -0.020 174.092 174.090 0.037 0.000 1.201 568 c CA -0.603 55.730 56.329 0.005 0.000 1.410 568 c CB -0.453 42.067 42.510 0.016 0.000 2.070 568 c HN 0.954 nan 8.230 nan 0.000 0.445 569 D N 3.836 124.259 120.400 0.038 0.000 2.663 569 D HA 0.236 4.877 4.640 0.001 0.000 0.243 569 D C 0.264 176.640 176.300 0.127 0.000 1.218 569 D CA 1.071 55.112 54.000 0.068 0.000 0.846 569 D CB 0.013 40.850 40.800 0.062 0.000 1.014 569 D HN 0.751 nan 8.370 nan 0.000 0.476 586 S N -0.769 114.902 115.700 -0.049 0.000 2.143 586 S HA 0.449 4.920 4.470 0.001 0.000 0.188 586 S C 0.659 175.254 174.600 -0.007 0.000 1.431 586 S CA 0.410 58.586 58.200 -0.040 0.000 1.253 586 S CB 0.902 64.081 63.200 -0.036 0.000 1.137 586 S HN 0.511 nan 8.310 nan 0.000 0.457 587 T N 1.726 116.302 114.554 0.037 0.000 2.894 587 T HA 0.024 4.375 4.350 0.001 0.000 0.258 587 T C 1.571 176.406 174.700 0.226 0.000 1.043 587 T CA 1.172 63.386 62.100 0.189 0.000 1.141 587 T CB -0.191 68.842 68.868 0.274 0.000 0.873 587 T HN 0.683 nan 8.240 nan 0.000 0.449 588 E N 0.797 121.121 120.200 0.207 0.000 2.204 588 E HA -0.153 4.198 4.350 0.001 0.000 0.195 588 E C 2.150 178.818 176.600 0.113 0.000 0.990 588 E CA 0.831 57.372 56.400 0.235 0.000 0.821 588 E CB 0.073 29.922 29.700 0.248 0.000 0.750 588 E HN 0.549 nan 8.360 nan 0.000 0.477 589 E N 0.253 120.477 120.200 0.041 0.000 2.046 589 E HA -0.166 4.185 4.350 0.001 0.000 0.190 589 E C 2.016 178.581 176.600 -0.057 0.000 0.982 589 E CA 0.700 57.094 56.400 -0.010 0.000 0.800 589 E CB 0.145 29.830 29.700 -0.024 0.000 0.756 589 E HN 0.155 nan 8.360 nan 0.000 0.449 590 R N -1.024 119.397 120.500 -0.131 0.000 2.127 590 R HA 0.032 4.373 4.340 0.001 0.000 0.217 590 R C 1.969 178.115 176.300 -0.257 0.000 1.074 590 R CA 0.916 56.852 56.100 -0.273 0.000 0.991 590 R CB 0.101 30.101 30.300 -0.501 0.000 0.895 590 R HN 0.275 nan 8.270 nan 0.000 0.450 591 H N -1.282 117.853 119.070 0.108 0.000 2.855 591 H HA 0.213 4.770 4.556 0.001 0.000 0.259 591 H C 0.058 175.467 175.328 0.136 0.000 0.972 591 H CA 0.184 56.330 56.048 0.163 0.000 1.213 591 H CB 0.915 30.822 29.762 0.242 0.000 1.451 591 H HN -0.075 nan 8.280 nan 0.000 0.484 592 L N 2.598 123.927 121.223 0.176 0.000 2.603 592 L HA 0.182 4.523 4.340 0.001 0.000 0.242 592 L C 1.157 177.965 176.870 -0.104 0.000 1.169 592 L CA 0.206 55.089 54.840 0.071 0.000 1.029 592 L CB 0.155 42.292 42.059 0.131 0.000 1.361 592 L HN 0.155 nan 8.230 nan 0.000 0.439 593 L N 0.824 121.831 121.223 -0.359 0.000 2.265 593 L HA -0.159 4.182 4.340 0.001 0.000 0.215 593 L C 0.594 177.082 176.870 -0.638 0.000 1.117 593 L CA 1.494 55.944 54.840 -0.650 0.000 0.782 593 L CB -0.328 41.101 42.059 -1.051 0.000 0.914 593 L HN 0.508 nan 8.230 nan 0.000 0.441 594 Y N -0.645 119.715 120.300 0.100 0.000 2.715 594 Y HA 0.571 5.121 4.550 0.001 0.000 0.255 594 Y C 1.033 176.975 175.900 0.071 0.000 1.139 594 Y CA -0.496 57.677 58.100 0.121 0.000 1.151 594 Y CB -0.000 38.596 38.460 0.227 0.000 1.201 594 Y HN 0.066 nan 8.280 nan 0.000 0.556 595 G N 1.750 110.610 108.800 0.100 0.000 2.712 595 G HA2 -0.203 3.758 3.960 0.001 0.000 0.686 595 G HA3 -0.203 3.758 3.960 0.001 0.000 0.686 595 G C -0.413 174.490 174.900 0.005 0.000 1.321 595 G CA -0.786 44.357 45.100 0.071 0.000 0.813 595 G HN 0.607 nan 8.290 nan 0.000 0.599 596 R N 0.800 121.303 120.500 0.005 0.000 2.543 596 R HA 0.533 4.873 4.340 0.001 0.000 0.277 596 R C -2.370 173.812 176.300 -0.197 0.000 1.074 596 R CA -0.870 55.163 56.100 -0.112 0.000 1.076 596 R CB 0.229 30.598 30.300 0.116 0.000 0.993 596 R HN 0.340 nan 8.270 nan 0.000 0.459 597 P HA 0.041 nan 4.420 nan 0.000 0.268 597 P C -0.947 176.212 177.300 -0.235 0.000 1.205 597 P CA -0.003 62.809 63.100 -0.479 0.000 0.771 597 P CB 1.056 32.245 31.700 -0.852 0.000 0.858 598 A N 3.266 125.974 122.820 -0.186 0.000 2.331 598 A HA 0.366 4.687 4.320 0.001 0.000 0.283 598 A C -0.184 177.338 177.584 -0.102 0.000 1.142 598 A CA -0.438 51.556 52.037 -0.071 0.000 0.812 598 A CB 0.223 19.199 19.000 -0.040 0.000 1.074 598 A HN 0.381 nan 8.150 nan 0.000 0.497 599 V N 4.131 124.006 119.914 -0.066 0.000 2.385 599 V HA 0.128 4.249 4.120 0.001 0.000 0.269 599 V C 0.581 176.623 176.094 -0.086 0.000 1.043 599 V CA 0.142 62.348 62.300 -0.158 0.000 0.906 599 V CB 0.755 32.364 31.823 -0.357 0.000 0.995 599 V HN 0.782 nan 8.190 nan 0.000 0.467 600 L N 6.659 127.896 121.223 0.023 0.000 2.791 600 L HA 0.327 4.668 4.340 0.001 0.000 0.239 600 L C -0.056 176.936 176.870 0.203 0.000 1.203 600 L CA -0.111 54.787 54.840 0.097 0.000 1.002 600 L CB -0.605 41.518 42.059 0.106 0.000 1.295 600 L HN 0.784 nan 8.230 nan 0.000 0.504 601 Y N -3.541 116.778 120.300 0.032 0.000 2.644 601 Y HA 0.762 5.312 4.550 0.001 0.000 0.338 601 Y C 0.050 175.986 175.900 0.061 0.000 1.119 601 Y CA -1.919 56.208 58.100 0.045 0.000 1.060 601 Y CB 0.547 39.034 38.460 0.046 0.000 1.294 601 Y HN -0.208 nan 8.280 nan 0.000 0.472 602 R N 0.852 121.451 120.500 0.164 0.000 2.248 602 R HA 0.699 5.039 4.340 0.001 0.000 0.328 602 R C -0.498 175.846 176.300 0.074 0.000 1.067 602 R CA 0.366 56.509 56.100 0.071 0.000 0.924 602 R CB 0.058 30.414 30.300 0.093 0.000 1.013 602 R HN 1.032 nan 8.270 nan 0.000 0.454 603 T N -0.404 114.134 114.554 -0.026 0.000 2.677 603 T HA 0.549 4.900 4.350 0.001 0.000 0.305 603 T C -1.355 173.358 174.700 0.023 0.000 1.569 603 T CA 0.248 62.353 62.100 0.008 0.000 0.984 603 T CB 1.635 70.493 68.868 -0.016 0.000 1.629 603 T HN 0.857 nan 8.240 nan 0.000 0.494 604 S N 1.332 117.044 115.700 0.021 0.000 2.605 604 S HA 0.786 5.257 4.470 0.001 0.000 0.308 604 S C -1.413 173.221 174.600 0.055 0.000 1.113 604 S CA -0.572 57.624 58.200 -0.006 0.000 1.049 604 S CB 0.075 63.203 63.200 -0.120 0.000 1.001 604 S HN 0.715 nan 8.310 nan 0.000 0.480 605 Y N 1.116 121.338 120.300 -0.131 0.000 2.625 605 Y HA 0.790 5.340 4.550 0.001 0.000 0.338 605 Y C -1.541 174.291 175.900 -0.114 0.000 1.123 605 Y CA -1.169 56.863 58.100 -0.114 0.000 1.046 605 Y CB 1.095 39.491 38.460 -0.106 0.000 1.299 605 Y HN 0.337 nan 8.280 nan 0.000 0.464 606 D N 2.550 122.893 120.400 -0.095 0.000 2.498 606 D HA 0.345 4.986 4.640 0.001 0.000 0.247 606 D C -0.417 175.753 176.300 -0.216 0.000 1.070 606 D CA -0.288 53.579 54.000 -0.222 0.000 0.842 606 D CB 2.580 43.352 40.800 -0.046 0.000 1.361 606 D HN 0.460 nan 8.370 nan 0.000 0.484 607 I N 1.846 122.169 120.570 -0.410 0.000 2.529 607 I HA 0.194 4.365 4.170 0.001 0.000 0.284 607 I C 0.295 176.196 176.117 -0.360 0.000 1.082 607 I CA -0.105 60.973 61.300 -0.370 0.000 1.406 607 I CB 0.116 37.846 38.000 -0.450 0.000 1.405 607 I HN 0.206 nan 8.210 nan 0.000 0.548 608 L N 7.090 128.101 121.223 -0.353 0.000 2.385 608 L HA 0.424 4.765 4.340 0.001 0.000 0.273 608 L C -1.028 175.611 176.870 -0.384 0.000 0.990 608 L CA -0.795 53.871 54.840 -0.290 0.000 0.821 608 L CB 1.682 43.732 42.059 -0.015 0.000 1.279 608 L HN 0.341 nan 8.230 nan 0.000 0.412 609 Y N 0.804 120.975 120.300 -0.216 0.000 2.387 609 Y HA 0.629 5.180 4.550 0.001 0.000 0.330 609 Y C -0.126 175.378 175.900 -0.660 0.000 1.133 609 Y CA -0.557 57.416 58.100 -0.211 0.000 1.152 609 Y CB 1.502 39.904 38.460 -0.096 0.000 1.215 609 Y HN 0.471 nan 8.280 nan 0.000 0.466 610 H N -2.032 116.913 119.070 -0.209 0.000 3.037 610 H HA 0.265 4.821 4.556 0.001 0.000 0.355 610 H C 0.508 175.703 175.328 -0.221 0.000 1.263 610 H CA -0.713 55.093 56.048 -0.403 0.000 1.129 610 H CB 1.268 30.364 29.762 -1.110 0.000 1.861 610 H HN 0.532 nan 8.280 nan 0.000 0.546 611 T N -0.148 114.392 114.554 -0.024 0.000 2.720 611 T HA -0.138 4.213 4.350 0.001 0.000 0.268 611 T C 0.643 175.408 174.700 0.109 0.000 1.037 611 T CA 2.003 64.135 62.100 0.053 0.000 1.144 611 T CB -0.129 68.771 68.868 0.053 0.000 0.864 611 T HN 0.550 nan 8.240 nan 0.000 0.444 612 D N -0.138 120.183 120.400 -0.132 0.000 2.389 612 D HA 0.273 4.914 4.640 0.001 0.000 0.206 612 D C 0.040 175.780 176.300 -0.932 0.000 1.055 612 D CA 0.081 53.879 54.000 -0.337 0.000 0.856 612 D CB 0.407 40.961 40.800 -0.410 0.000 0.957 612 D HN 0.547 nan 8.370 nan 0.000 0.509 613 F N -1.043 118.397 119.950 -0.850 0.000 2.770 613 F HA 0.523 5.051 4.527 0.001 0.000 0.313 613 F C -1.347 174.420 175.800 -0.056 0.000 1.154 613 F CA -1.267 56.364 58.000 -0.615 0.000 0.923 613 F CB 1.494 40.043 39.000 -0.752 0.000 1.301 613 F HN -0.310 nan 8.300 nan 0.000 0.449 614 E N 1.248 121.612 120.200 0.274 0.000 2.312 614 E HA 0.784 5.134 4.350 0.001 0.000 0.267 614 E C -1.636 175.220 176.600 0.425 0.000 0.894 614 E CA -0.880 55.711 56.400 0.319 0.000 0.773 614 E CB 2.415 32.376 29.700 0.434 0.000 1.241 614 E HN 0.969 nan 8.360 nan 0.000 0.432 615 S N 0.864 116.626 115.700 0.103 0.000 2.579 615 S HA 0.692 5.163 4.470 0.001 0.000 0.272 615 S C -0.390 173.664 174.600 -0.910 0.000 1.141 615 S CA -0.718 57.297 58.200 -0.309 0.000 0.843 615 S CB 1.536 64.769 63.200 0.055 0.000 1.122 615 S HN 0.576 nan 8.310 nan 0.000 0.468 616 G N 1.073 108.865 108.800 -1.680 0.000 2.800 616 G HA2 0.450 4.410 3.960 0.001 0.000 0.340 616 G HA3 0.450 4.410 3.960 0.001 0.000 0.340 616 G C -1.062 173.611 174.900 -0.378 0.000 1.089 616 G CA -0.493 43.989 45.100 -1.030 0.000 1.144 616 G HN 0.671 nan 8.290 nan 0.000 0.461 617 Y N 3.189 123.385 120.300 -0.172 0.000 2.359 617 Y HA 0.482 5.033 4.550 0.001 0.000 0.334 617 Y C 0.642 176.576 175.900 0.057 0.000 1.058 617 Y CA -0.408 57.672 58.100 -0.034 0.000 1.244 617 Y CB 1.384 39.846 38.460 0.003 0.000 1.187 617 Y HN 0.372 nan 8.280 nan 0.000 0.510 618 S N 4.917 120.328 115.700 -0.481 0.000 2.465 618 S HA 0.149 4.620 4.470 0.001 0.000 0.279 618 S C 0.649 175.019 174.600 -0.384 0.000 1.201 618 S CA -0.548 57.517 58.200 -0.226 0.000 1.053 618 S CB 0.505 63.716 63.200 0.018 0.000 0.953 618 S HN 0.919 nan 8.310 nan 0.000 0.488 619 E N 3.924 124.011 120.200 -0.188 0.000 2.427 619 E HA -0.038 4.313 4.350 0.001 0.000 0.196 619 E C 1.046 177.482 176.600 -0.273 0.000 1.028 619 E CA 0.510 56.740 56.400 -0.283 0.000 0.864 619 E CB 0.097 29.346 29.700 -0.751 0.000 0.813 619 E HN 0.667 nan 8.360 nan 0.000 0.514 620 I N -0.594 119.813 120.570 -0.271 0.000 2.556 620 I HA -0.061 4.109 4.170 0.001 0.000 0.251 620 I C 1.489 177.299 176.117 -0.513 0.000 1.105 620 I CA 0.985 62.029 61.300 -0.426 0.000 1.436 620 I CB -0.539 37.072 38.000 -0.648 0.000 1.139 620 I HN 0.045 nan 8.210 nan 0.000 0.438 621 F N 0.818 120.715 119.950 -0.088 0.000 2.727 621 F HA 0.324 4.852 4.527 0.002 0.000 0.302 621 F C 1.163 176.942 175.800 -0.035 0.000 1.097 621 F CA 0.031 57.981 58.000 -0.082 0.000 1.330 621 F CB -0.219 38.694 39.000 -0.145 0.000 1.084 621 F HN -0.131 nan 8.300 nan 0.000 0.578 622 L N 0.268 121.485 121.223 -0.009 0.000 4.089 622 L HA -0.265 4.075 4.340 0.001 0.000 0.408 622 L C -0.298 176.581 176.870 0.016 0.000 1.184 622 L CA 0.374 55.239 54.840 0.042 0.000 0.947 622 L CB -2.191 39.979 42.059 0.186 0.000 2.066 622 L HN 0.439 nan 8.230 nan 0.000 0.851 623 M N -4.354 115.088 119.600 -0.264 0.000 2.833 623 M HA 0.687 5.168 4.480 0.001 0.000 0.270 623 M C -2.992 173.183 176.300 -0.210 0.000 1.209 623 M CA -1.861 53.398 55.300 -0.069 0.000 0.826 623 M CB 1.813 34.515 32.600 0.171 0.000 1.657 623 M HN -0.340 nan 8.290 nan 0.000 0.492 624 P HA 0.190 nan 4.420 nan 0.000 0.268 624 P C 0.163 177.491 177.300 0.046 0.000 1.205 624 P CA -0.123 62.985 63.100 0.013 0.000 0.771 624 P CB 0.534 32.301 31.700 0.111 0.000 0.858 625 L N 1.604 122.820 121.223 -0.013 0.000 2.313 625 L HA 0.114 4.455 4.340 0.001 0.000 0.214 625 L C 0.650 177.771 176.870 0.418 0.000 1.119 625 L CA 0.644 55.584 54.840 0.166 0.000 0.809 625 L CB -0.311 41.812 42.059 0.106 0.000 0.933 625 L HN 0.535 nan 8.230 nan 0.000 0.449 626 W N -2.045 119.421 121.300 0.276 0.000 3.419 626 W HA 0.463 5.124 4.660 0.002 0.000 0.298 626 W C -1.552 175.160 176.519 0.321 0.000 1.260 626 W CA -0.790 56.768 57.345 0.355 0.000 1.199 626 W CB 0.712 30.428 29.460 0.426 0.000 1.349 626 W HN -0.457 nan 8.180 nan 0.000 0.557 627 T N 2.336 117.308 114.554 0.698 0.000 2.881 627 T HA 0.384 4.735 4.350 0.001 0.000 0.291 627 T C -0.995 174.155 174.700 0.750 0.000 0.990 627 T CA -0.378 62.095 62.100 0.621 0.000 0.976 627 T CB 1.844 70.964 68.868 0.420 0.000 0.970 627 T HN 0.470 nan 8.240 nan 0.000 0.438 628 S N 3.106 119.287 115.700 0.802 0.000 2.502 628 S HA 0.836 5.307 4.470 0.001 0.000 0.304 628 S C -1.476 173.488 174.600 0.607 0.000 1.097 628 S CA -0.640 57.926 58.200 0.611 0.000 1.045 628 S CB 0.385 63.894 63.200 0.514 0.000 1.019 628 S HN 0.670 nan 8.310 nan 0.000 0.481 629 Y N -0.054 120.465 120.300 0.365 0.000 2.592 629 Y HA 0.696 5.247 4.550 0.002 0.000 0.334 629 Y C -0.862 175.284 175.900 0.410 0.000 1.136 629 Y CA -1.030 57.269 58.100 0.332 0.000 1.042 629 Y CB 0.761 39.404 38.460 0.304 0.000 1.325 629 Y HN 0.354 nan 8.280 nan 0.000 0.457 630 T N 4.418 119.400 114.554 0.713 0.000 2.823 630 T HA 0.636 4.987 4.350 0.001 0.000 0.279 630 T C -0.974 173.984 174.700 0.430 0.000 0.998 630 T CA -0.551 61.800 62.100 0.418 0.000 0.994 630 T CB 1.010 70.040 68.868 0.270 0.000 0.960 630 T HN 0.498 nan 8.240 nan 0.000 0.448 631 I N 3.473 124.215 120.570 0.286 0.000 2.410 631 I HA 0.306 4.477 4.170 0.001 0.000 0.286 631 I C 0.868 177.079 176.117 0.157 0.000 1.009 631 I CA -0.829 60.614 61.300 0.238 0.000 1.111 631 I CB 1.329 39.451 38.000 0.204 0.000 1.262 631 I HN 0.739 nan 8.210 nan 0.000 0.443 632 S N 5.252 121.034 115.700 0.136 0.000 2.603 632 S HA 0.227 4.697 4.470 0.001 0.000 0.268 632 S C 1.211 175.859 174.600 0.081 0.000 1.317 632 S CA -0.482 57.779 58.200 0.101 0.000 1.012 632 S CB 1.699 64.951 63.200 0.087 0.000 0.926 632 S HN 0.728 nan 8.310 nan 0.000 0.539 633 K N 0.614 121.058 120.400 0.073 0.000 2.113 633 K HA -0.218 4.103 4.320 0.001 0.000 0.208 633 K C 1.478 178.104 176.600 0.044 0.000 1.047 633 K CA 1.838 58.162 56.287 0.061 0.000 0.928 633 K CB -0.267 32.271 32.500 0.063 0.000 0.716 633 K HN 0.697 nan 8.250 nan 0.000 0.446 634 Q N 0.223 120.051 119.800 0.045 0.000 2.403 634 Q HA 0.263 4.604 4.340 0.001 0.000 0.203 634 Q C -0.009 176.011 176.000 0.033 0.000 0.932 634 Q CA 0.375 56.199 55.803 0.035 0.000 0.945 634 Q CB 0.696 29.456 28.738 0.036 0.000 1.045 634 Q HN 0.373 nan 8.270 nan 0.000 0.511 635 A N 1.385 124.230 122.820 0.042 0.000 2.587 635 A HA -0.013 4.308 4.320 0.001 0.000 0.233 635 A C 0.122 177.718 177.584 0.019 0.000 1.049 635 A CA 0.194 52.259 52.037 0.046 0.000 0.754 635 A CB 0.252 19.290 19.000 0.065 0.000 0.977 635 A HN 0.101 nan 8.150 nan 0.000 0.509 636 E N 1.010 121.224 120.200 0.023 0.000 2.216 636 E HA 0.393 4.744 4.350 0.001 0.000 0.279 636 E C -0.838 175.755 176.600 -0.010 0.000 0.997 636 E CA -0.521 55.883 56.400 0.006 0.000 0.817 636 E CB 1.716 31.427 29.700 0.018 0.000 1.096 636 E HN 0.341 nan 8.360 nan 0.000 0.393 637 V N 2.700 122.594 119.914 -0.034 0.000 2.407 637 V HA 0.254 4.375 4.120 0.001 0.000 0.278 637 V C 0.274 176.358 176.094 -0.016 0.000 1.037 637 V CA -0.366 61.905 62.300 -0.049 0.000 0.900 637 V CB 1.078 32.838 31.823 -0.105 0.000 0.983 637 V HN 0.721 nan 8.190 nan 0.000 0.459 638 S N 3.073 118.783 115.700 0.017 0.000 2.568 638 S HA 0.695 5.166 4.470 0.001 0.000 0.293 638 S C -0.263 174.389 174.600 0.086 0.000 1.089 638 S CA -0.752 57.468 58.200 0.033 0.000 0.945 638 S CB 1.875 65.087 63.200 0.021 0.000 1.077 638 S HN 0.556 nan 8.310 nan 0.000 0.485 639 S N 0.990 116.732 115.700 0.071 0.000 2.617 639 S HA 0.403 4.874 4.470 0.001 0.000 0.259 639 S C 0.116 174.731 174.600 0.024 0.000 1.301 639 S CA -0.685 57.578 58.200 0.105 0.000 0.984 639 S CB -0.094 63.142 63.200 0.060 0.000 0.954 639 S HN 0.680 nan 8.310 nan 0.000 0.572 640 I N 2.521 123.093 120.570 0.003 0.000 2.304 640 I HA 0.249 4.420 4.170 0.001 0.000 0.291 640 I C -2.240 173.836 176.117 -0.069 0.000 1.018 640 I CA -2.184 59.075 61.300 -0.069 0.000 1.260 640 I CB 0.857 38.810 38.000 -0.078 0.000 1.390 640 I HN 0.316 nan 8.210 nan 0.000 0.475 641 P HA 0.029 nan 4.420 nan 0.000 0.264 641 P C 0.917 178.089 177.300 -0.214 0.000 1.183 641 P CA 0.281 63.288 63.100 -0.155 0.000 0.763 641 P CB 0.636 32.173 31.700 -0.272 0.000 0.807 642 E N 2.611 122.780 120.200 -0.051 0.000 2.171 642 E HA -0.268 4.083 4.350 0.001 0.000 0.197 642 E C 1.549 178.122 176.600 -0.044 0.000 0.997 642 E CA 1.883 58.269 56.400 -0.023 0.000 0.810 642 E CB -1.471 28.252 29.700 0.038 0.000 0.738 642 E HN 0.802 nan 8.360 nan 0.000 0.467 643 H N -0.928 118.115 119.070 -0.047 0.000 2.563 643 H HA 0.237 4.794 4.556 0.001 0.000 0.272 643 H C 1.609 176.870 175.328 -0.111 0.000 1.005 643 H CA 0.969 56.985 56.048 -0.053 0.000 1.171 643 H CB -0.090 29.654 29.762 -0.031 0.000 1.351 643 H HN 0.414 nan 8.280 nan 0.000 0.602 644 L N 0.267 121.154 121.223 -0.560 0.000 2.766 644 L HA 0.112 4.453 4.340 0.001 0.000 0.242 644 L C 1.908 178.534 176.870 -0.407 0.000 1.136 644 L CA 0.021 54.478 54.840 -0.637 0.000 0.933 644 L CB 0.315 41.765 42.059 -1.015 0.000 1.241 644 L HN 0.060 nan 8.230 nan 0.000 0.522 645 T N 0.894 115.332 114.554 -0.195 0.000 2.620 645 T HA -0.258 4.093 4.350 0.001 0.000 0.267 645 T C 1.114 175.833 174.700 0.032 0.000 1.044 645 T CA 2.233 64.304 62.100 -0.047 0.000 1.161 645 T CB -0.306 68.551 68.868 -0.018 0.000 0.862 645 T HN 0.478 nan 8.240 nan 0.000 0.438 646 N N -0.187 118.526 118.700 0.022 0.000 2.279 646 N HA 0.235 4.976 4.740 0.001 0.000 0.226 646 N C -0.232 175.343 175.510 0.107 0.000 1.126 646 N CA -0.396 52.727 53.050 0.123 0.000 0.846 646 N CB 0.219 38.767 38.487 0.102 0.000 1.050 646 N HN 0.307 nan 8.380 nan 0.000 0.502 647 c N 1.533 120.107 118.600 -0.043 0.000 2.627 647 c HA 0.364 4.935 4.570 0.001 0.000 0.404 647 c C 0.139 174.282 174.090 0.089 0.000 1.340 647 c CA -0.158 56.083 56.329 -0.147 0.000 1.758 647 c CB -1.279 40.854 42.510 -0.628 0.000 2.501 647 c HN 0.076 nan 8.230 nan 0.000 0.588 648 V N 7.854 127.823 119.914 0.092 0.000 2.638 648 V HA 0.591 4.712 4.120 0.001 0.000 0.306 648 V C -0.320 175.809 176.094 0.058 0.000 1.052 648 V CA -0.580 61.795 62.300 0.126 0.000 0.885 648 V CB 1.901 33.748 31.823 0.039 0.000 0.999 648 V HN 0.860 nan 8.190 nan 0.000 0.424 649 R N 4.982 125.519 120.500 0.061 0.000 2.480 649 R HA 0.526 4.867 4.340 0.001 0.000 0.306 649 R C -2.768 173.475 176.300 -0.094 0.000 0.958 649 R CA -1.841 54.260 56.100 0.001 0.000 0.861 649 R CB 2.345 32.679 30.300 0.056 0.000 1.171 649 R HN 0.433 nan 8.270 nan 0.000 0.445 650 P HA -0.100 nan 4.420 nan 0.000 0.269 650 P C -0.867 176.146 177.300 -0.477 0.000 1.217 650 P CA 0.128 62.889 63.100 -0.565 0.000 0.783 650 P CB 0.682 31.746 31.700 -1.061 0.000 0.898 651 D N 1.414 121.514 120.400 -0.501 0.000 2.453 651 D HA 0.101 4.742 4.640 0.001 0.000 0.238 651 D C 1.058 177.304 176.300 -0.090 0.000 1.088 651 D CA -0.671 53.201 54.000 -0.214 0.000 0.854 651 D CB 0.948 41.666 40.800 -0.136 0.000 1.076 651 D HN 0.059 nan 8.370 nan 0.000 0.533 652 V N 2.527 122.456 119.914 0.025 0.000 3.383 652 V HA -0.004 4.117 4.120 0.001 0.000 0.272 652 V C 1.591 177.876 176.094 0.319 0.000 1.181 652 V CA 0.853 63.323 62.300 0.284 0.000 1.171 652 V CB -0.748 31.208 31.823 0.221 0.000 0.800 652 V HN 0.347 nan 8.190 nan 0.000 0.515 653 R N -0.116 120.497 120.500 0.188 0.000 2.254 653 R HA 0.356 4.697 4.340 0.001 0.000 0.195 653 R C -0.004 176.434 176.300 0.229 0.000 0.957 653 R CA 0.231 56.434 56.100 0.171 0.000 1.024 653 R CB 0.607 30.940 30.300 0.055 0.000 0.952 653 R HN 0.506 nan 8.270 nan 0.000 0.484 654 V N 1.146 121.182 119.914 0.203 0.000 2.540 654 V HA 0.150 4.270 4.120 0.001 0.000 0.302 654 V C 0.087 176.233 176.094 0.087 0.000 1.035 654 V CA -1.046 61.347 62.300 0.155 0.000 0.873 654 V CB 1.817 33.616 31.823 -0.039 0.000 0.992 654 V HN 0.213 nan 8.190 nan 0.000 0.428 655 S N 5.734 121.417 115.700 -0.029 0.000 2.563 655 S HA 0.142 4.613 4.470 0.001 0.000 0.284 655 S C -1.446 172.949 174.600 -0.342 0.000 1.331 655 S CA -0.233 57.602 58.200 -0.608 0.000 1.047 655 S CB 0.931 63.969 63.200 -0.271 0.000 0.859 655 S HN 0.592 nan 8.310 nan 0.000 0.514 656 P HA 0.039 nan 4.420 nan 0.000 0.218 656 P C 1.470 178.671 177.300 -0.164 0.000 1.148 656 P CA 1.448 64.370 63.100 -0.296 0.000 0.822 656 P CB -0.337 31.005 31.700 -0.598 0.000 0.784 657 G N -1.982 106.623 108.800 -0.324 0.000 2.534 657 G HA2 -0.135 3.825 3.960 0.001 0.000 0.217 657 G HA3 -0.135 3.825 3.960 0.001 0.000 0.217 657 G C 0.638 175.362 174.900 -0.292 0.000 1.128 657 G CA 0.039 44.922 45.100 -0.361 0.000 0.784 657 G HN 0.272 nan 8.290 nan 0.000 0.542 658 F N 1.357 121.326 119.950 0.032 0.000 2.837 658 F HA 0.411 4.939 4.527 0.002 0.000 0.298 658 F C 0.458 176.380 175.800 0.203 0.000 1.161 658 F CA -0.610 57.458 58.000 0.114 0.000 1.353 658 F CB 0.727 39.813 39.000 0.143 0.000 0.951 658 F HN -0.091 nan 8.300 nan 0.000 0.508 659 S N -0.213 115.658 115.700 0.285 0.000 2.568 659 S HA 0.394 4.865 4.470 0.001 0.000 0.293 659 S C -0.363 174.370 174.600 0.220 0.000 1.089 659 S CA -0.884 57.478 58.200 0.270 0.000 0.945 659 S CB 1.961 65.291 63.200 0.216 0.000 1.077 659 S HN 0.190 nan 8.310 nan 0.000 0.485 660 Q N 1.267 121.206 119.800 0.231 0.000 2.443 660 Q HA 0.316 4.656 4.340 0.001 0.000 0.232 660 Q C -0.309 175.775 176.000 0.141 0.000 1.026 660 Q CA -0.384 55.531 55.803 0.186 0.000 0.924 660 Q CB 0.314 29.201 28.738 0.249 0.000 1.256 660 Q HN 0.739 nan 8.270 nan 0.000 0.519 661 N N -1.621 117.140 118.700 0.102 0.000 2.258 661 N HA 0.245 4.986 4.740 0.001 0.000 0.299 661 N C -0.549 175.024 175.510 0.106 0.000 1.047 661 N CA -0.733 52.370 53.050 0.087 0.000 0.814 661 N CB 1.180 39.700 38.487 0.055 0.000 1.413 661 N HN 0.465 nan 8.380 nan 0.000 0.478 662 c N 1.009 119.682 118.600 0.122 0.000 2.432 662 c HA -0.009 4.562 4.570 0.001 0.000 0.282 662 c C 2.308 176.492 174.090 0.156 0.000 1.388 662 c CA -0.109 56.325 56.329 0.176 0.000 1.777 662 c CB -1.522 41.040 42.510 0.087 0.000 1.882 662 c HN 0.847 nan 8.230 nan 0.000 0.520 663 L N 2.370 123.644 121.223 0.085 0.000 2.043 663 L HA -0.140 4.201 4.340 0.001 0.000 0.212 663 L C 2.606 179.497 176.870 0.035 0.000 1.075 663 L CA 2.405 57.282 54.840 0.060 0.000 0.752 663 L CB -0.847 41.234 42.059 0.036 0.000 0.891 663 L HN 0.278 nan 8.230 nan 0.000 0.432 664 A N -1.469 121.331 122.820 -0.034 0.000 1.908 664 A HA -0.249 4.071 4.320 0.001 0.000 0.218 664 A C 2.139 179.641 177.584 -0.137 0.000 1.181 664 A CA 2.008 53.966 52.037 -0.131 0.000 0.627 664 A CB -1.109 17.736 19.000 -0.258 0.000 0.818 664 A HN 0.589 nan 8.150 nan 0.000 0.445 665 Y N -0.077 120.264 120.300 0.069 0.000 2.133 665 Y HA -0.145 4.406 4.550 0.001 0.000 0.287 665 Y C 3.036 178.996 175.900 0.100 0.000 1.134 665 Y CA 2.050 60.211 58.100 0.102 0.000 1.133 665 Y CB -0.501 38.053 38.460 0.156 0.000 0.987 665 Y HN 0.357 nan 8.280 nan 0.000 0.502 666 K N 0.748 121.293 120.400 0.242 0.000 2.127 666 K HA -0.275 4.046 4.320 0.001 0.000 0.208 666 K C 1.503 178.172 176.600 0.115 0.000 1.047 666 K CA 2.323 58.707 56.287 0.163 0.000 0.927 666 K CB -1.470 31.105 32.500 0.124 0.000 0.716 666 K HN 0.689 nan 8.250 nan 0.000 0.450 667 N N -0.310 118.442 118.700 0.086 0.000 2.395 667 N HA -0.052 4.689 4.740 0.001 0.000 0.175 667 N C 0.048 175.594 175.510 0.060 0.000 1.029 667 N CA 0.061 53.146 53.050 0.059 0.000 0.897 667 N CB 0.288 38.796 38.487 0.034 0.000 0.991 667 N HN 0.438 nan 8.380 nan 0.000 0.441 668 D N 1.955 122.397 120.400 0.070 0.000 2.338 668 D HA -0.024 4.617 4.640 0.001 0.000 0.255 668 D C 0.812 177.174 176.300 0.102 0.000 1.237 668 D CA 0.009 54.053 54.000 0.075 0.000 0.883 668 D CB 0.741 41.580 40.800 0.065 0.000 1.087 668 D HN 0.250 nan 8.370 nan 0.000 0.485 669 K N 2.647 123.101 120.400 0.089 0.000 2.504 669 K HA -0.100 4.221 4.320 0.001 0.000 0.195 669 K C 0.862 177.528 176.600 0.111 0.000 1.036 669 K CA 0.844 57.185 56.287 0.090 0.000 0.984 669 K CB 0.273 32.814 32.500 0.068 0.000 0.788 669 K HN 0.443 nan 8.250 nan 0.000 0.488 670 Q N -0.204 119.681 119.800 0.142 0.000 2.391 670 Q HA 0.186 4.527 4.340 0.001 0.000 0.243 670 Q C 0.031 176.188 176.000 0.262 0.000 0.874 670 Q CA -0.133 55.793 55.803 0.205 0.000 0.950 670 Q CB 0.483 29.369 28.738 0.247 0.000 1.103 670 Q HN 0.176 nan 8.270 nan 0.000 0.544 671 M N 0.594 120.301 119.600 0.177 0.000 2.205 671 M HA 0.309 4.790 4.480 0.001 0.000 0.344 671 M C -0.401 176.022 176.300 0.205 0.000 1.085 671 M CA -0.203 55.159 55.300 0.103 0.000 1.001 671 M CB 1.676 34.296 32.600 0.033 0.000 1.626 671 M HN -0.096 nan 8.290 nan 0.000 0.442 672 S N 3.598 119.380 115.700 0.137 0.000 2.589 672 S HA 0.839 5.310 4.470 0.001 0.000 0.272 672 S C -1.371 173.186 174.600 -0.073 0.000 1.096 672 S CA -0.375 57.856 58.200 0.052 0.000 0.985 672 S CB 0.605 63.758 63.200 -0.079 0.000 1.278 672 S HN 0.720 nan 8.310 nan 0.000 0.528 673 Y N -1.888 118.198 120.300 -0.356 0.000 2.625 673 Y HA 0.842 5.393 4.550 0.001 0.000 0.338 673 Y C -0.247 175.358 175.900 -0.491 0.000 1.123 673 Y CA -0.707 57.055 58.100 -0.563 0.000 1.046 673 Y CB 0.807 38.652 38.460 -1.025 0.000 1.299 673 Y HN 0.790 nan 8.280 nan 0.000 0.464 674 G N 0.485 109.057 108.800 -0.380 0.000 2.866 674 G HA2 0.670 4.630 3.960 0.001 0.000 0.289 674 G HA3 0.670 4.630 3.960 0.001 0.000 0.289 674 G C -2.422 172.157 174.900 -0.535 0.000 1.396 674 G CA -1.091 43.738 45.100 -0.453 0.000 0.848 674 G HN 0.450 nan 8.290 nan 0.000 0.515 675 F N -0.244 119.770 119.950 0.107 0.000 2.532 675 F HA 0.494 5.022 4.527 0.001 0.000 0.321 675 F C 1.252 177.144 175.800 0.153 0.000 1.089 675 F CA -0.877 57.148 58.000 0.042 0.000 0.926 675 F CB 2.113 41.049 39.000 -0.107 0.000 1.168 675 F HN 0.230 nan 8.300 nan 0.000 0.459 676 L N 0.976 122.356 121.223 0.261 0.000 2.005 676 L HA -0.075 4.266 4.340 0.001 0.000 0.207 676 L C 0.620 177.572 176.870 0.137 0.000 1.072 676 L CA 1.162 56.173 54.840 0.285 0.000 0.744 676 L CB -0.129 42.055 42.059 0.208 0.000 0.895 676 L HN 0.442 nan 8.230 nan 0.000 0.433 677 F N 3.301 123.015 119.950 -0.393 0.000 2.424 677 F HA 0.295 4.822 4.527 0.001 0.000 0.356 677 F C -2.102 173.339 175.800 -0.598 0.000 1.110 677 F CA -3.130 54.386 58.000 -0.805 0.000 1.161 677 F CB 0.565 38.639 39.000 -1.544 0.000 1.115 677 F HN -0.205 nan 8.300 nan 0.000 0.507 678 P HA 0.211 nan 4.420 nan 0.000 0.282 678 P C -2.536 174.200 177.300 -0.939 0.000 1.262 678 P CA -1.670 60.937 63.100 -0.820 0.000 0.773 678 P CB 1.185 32.529 31.700 -0.594 0.000 0.879 679 P HA -0.141 nan 4.420 nan 0.000 0.221 679 P C 0.918 177.890 177.300 -0.547 0.000 1.145 679 P CA 1.420 64.081 63.100 -0.731 0.000 0.795 679 P CB -0.478 30.645 31.700 -0.961 0.000 0.775 680 Y N -1.414 118.668 120.300 -0.364 0.000 2.497 680 Y HA -0.033 4.518 4.550 0.001 0.000 0.292 680 Y C 1.828 177.570 175.900 -0.264 0.000 1.137 680 Y CA 0.579 58.513 58.100 -0.277 0.000 1.285 680 Y CB -0.626 37.657 38.460 -0.295 0.000 0.991 680 Y HN -0.063 nan 8.280 nan 0.000 0.556 681 L N -0.640 120.433 121.223 -0.251 0.000 2.906 681 L HA 0.177 4.518 4.340 0.001 0.000 0.255 681 L C 0.768 177.655 176.870 0.029 0.000 1.166 681 L CA -0.354 54.381 54.840 -0.175 0.000 0.977 681 L CB 0.029 41.898 42.059 -0.316 0.000 1.313 681 L HN 0.002 nan 8.230 nan 0.000 0.549 682 S N -0.418 115.319 115.700 0.061 0.000 2.558 682 S HA -0.035 4.436 4.470 0.001 0.000 0.287 682 S C 1.411 176.102 174.600 0.152 0.000 1.321 682 S CA 0.065 58.397 58.200 0.221 0.000 1.048 682 S CB 1.125 64.400 63.200 0.124 0.000 0.844 682 S HN 0.364 nan 8.310 nan 0.000 0.512 683 S N 1.432 117.232 115.700 0.167 0.000 2.428 683 S HA 0.139 4.610 4.470 0.001 0.000 0.230 683 S C 0.780 175.440 174.600 0.100 0.000 1.014 683 S CA 0.197 58.476 58.200 0.132 0.000 0.957 683 S CB -0.787 62.497 63.200 0.139 0.000 0.784 683 S HN 1.382 nan 8.310 nan 0.000 0.499 684 S N -0.461 115.301 115.700 0.102 0.000 2.625 684 S HA 0.577 5.048 4.470 0.001 0.000 0.271 684 S C -2.995 171.670 174.600 0.108 0.000 1.161 684 S CA -1.284 56.972 58.200 0.093 0.000 0.820 684 S CB 1.215 64.469 63.200 0.090 0.000 1.137 684 S HN -0.087 nan 8.310 nan 0.000 0.470 685 P HA -0.080 nan 4.420 nan 0.000 0.218 685 P C 1.390 178.838 177.300 0.246 0.000 1.149 685 P CA 1.339 64.526 63.100 0.145 0.000 0.817 685 P CB 0.088 31.872 31.700 0.140 0.000 0.785 686 E N 0.156 120.483 120.200 0.213 0.000 2.051 686 E HA -0.191 4.159 4.350 0.001 0.000 0.192 686 E C 1.888 178.655 176.600 0.278 0.000 0.991 686 E CA 1.341 57.883 56.400 0.236 0.000 0.799 686 E CB -0.603 29.168 29.700 0.119 0.000 0.748 686 E HN 0.077 nan 8.360 nan 0.000 0.449 687 A N 1.219 124.153 122.820 0.190 0.000 1.933 687 A HA -0.178 4.143 4.320 0.001 0.000 0.218 687 A C 2.114 179.805 177.584 0.179 0.000 1.175 687 A CA 1.720 53.854 52.037 0.162 0.000 0.628 687 A CB -0.483 18.592 19.000 0.125 0.000 0.814 687 A HN 0.215 nan 8.150 nan 0.000 0.444 688 K N -0.988 119.507 120.400 0.158 0.000 2.127 688 K HA -0.218 4.103 4.320 0.001 0.000 0.208 688 K C 1.512 178.165 176.600 0.088 0.000 1.047 688 K CA 1.890 58.210 56.287 0.056 0.000 0.927 688 K CB -0.593 31.918 32.500 0.018 0.000 0.716 688 K HN 0.591 nan 8.250 nan 0.000 0.450 689 Y N 0.763 121.191 120.300 0.213 0.000 2.256 689 Y HA -0.224 4.327 4.550 0.001 0.000 0.288 689 Y C 1.918 177.940 175.900 0.203 0.000 1.155 689 Y CA 1.503 59.770 58.100 0.278 0.000 1.203 689 Y CB -0.144 38.401 38.460 0.141 0.000 0.980 689 Y HN 0.187 nan 8.280 nan 0.000 0.530 690 D N -0.462 120.092 120.400 0.257 0.000 2.178 690 D HA -0.146 4.495 4.640 0.001 0.000 0.201 690 D C 2.183 178.548 176.300 0.108 0.000 0.980 690 D CA 1.237 55.368 54.000 0.219 0.000 0.842 690 D CB -0.356 40.590 40.800 0.243 0.000 0.948 690 D HN 0.342 nan 8.370 nan 0.000 0.472 691 A N -0.458 122.283 122.820 -0.132 0.000 2.121 691 A HA -0.086 4.235 4.320 0.001 0.000 0.218 691 A C 1.545 178.523 177.584 -1.010 0.000 1.154 691 A CA 0.581 52.298 52.037 -0.532 0.000 0.679 691 A CB -0.703 17.871 19.000 -0.709 0.000 0.795 691 A HN 0.195 nan 8.150 nan 0.000 0.458 692 F N -0.247 119.423 119.950 -0.467 0.000 2.765 692 F HA 0.302 4.830 4.527 0.002 0.000 0.302 692 F C 0.592 176.261 175.800 -0.218 0.000 1.111 692 F CA -0.372 57.302 58.000 -0.544 0.000 1.359 692 F CB -0.128 38.691 39.000 -0.303 0.000 1.097 692 F HN -0.006 nan 8.300 nan 0.000 0.577 693 L N 0.050 121.276 121.223 0.004 0.000 2.483 693 L HA -0.049 4.291 4.340 0.001 0.000 0.275 693 L C 1.719 178.650 176.870 0.103 0.000 1.220 693 L CA -0.103 54.779 54.840 0.070 0.000 0.833 693 L CB 0.736 42.862 42.059 0.112 0.000 1.102 693 L HN -0.076 nan 8.230 nan 0.000 0.490 694 V N 1.578 121.532 119.914 0.067 0.000 2.913 694 V HA -0.189 3.931 4.120 0.001 0.000 0.260 694 V C 2.040 178.223 176.094 0.148 0.000 1.098 694 V CA 2.224 64.580 62.300 0.093 0.000 1.121 694 V CB -0.335 31.501 31.823 0.021 0.000 0.714 694 V HN 1.083 nan 8.190 nan 0.000 0.487 695 T N -2.441 112.171 114.554 0.097 0.000 3.129 695 T HA 0.025 4.375 4.350 0.001 0.000 0.251 695 T C 1.335 176.202 174.700 0.279 0.000 1.117 695 T CA 0.917 63.090 62.100 0.120 0.000 1.034 695 T CB -0.388 68.365 68.868 -0.193 0.000 0.968 695 T HN 0.482 nan 8.240 nan 0.000 0.526 696 N N 0.983 119.826 118.700 0.240 0.000 2.205 696 N HA 0.219 4.960 4.740 0.001 0.000 0.201 696 N C 0.358 176.083 175.510 0.358 0.000 1.128 696 N CA -0.448 52.732 53.050 0.218 0.000 0.867 696 N CB 0.004 38.505 38.487 0.024 0.000 0.996 696 N HN 0.660 nan 8.380 nan 0.000 0.503 697 M N 0.709 120.522 119.600 0.355 0.000 2.277 697 M HA 0.512 4.993 4.480 0.001 0.000 0.350 697 M C -0.744 175.625 176.300 0.116 0.000 1.180 697 M CA -0.695 54.736 55.300 0.218 0.000 1.103 697 M CB 1.554 34.203 32.600 0.081 0.000 1.577 697 M HN -0.139 nan 8.290 nan 0.000 0.459 698 V N 0.777 120.682 119.914 -0.015 0.000 2.925 698 V HA 0.756 4.877 4.120 0.001 0.000 0.311 698 V C -2.856 173.227 176.094 -0.019 0.000 1.104 698 V CA -2.014 60.305 62.300 0.031 0.000 0.954 698 V CB 1.583 33.404 31.823 -0.004 0.000 1.022 698 V HN 0.813 nan 8.190 nan 0.000 0.427 699 P HA 0.420 nan 4.420 nan 0.000 0.276 699 P C -0.965 176.326 177.300 -0.014 0.000 1.253 699 P CA 0.126 63.339 63.100 0.189 0.000 0.766 699 P CB 0.646 32.538 31.700 0.321 0.000 0.845 700 M N 3.594 123.164 119.600 -0.049 0.000 2.267 700 M HA 0.275 4.756 4.480 0.001 0.000 0.289 700 M C -0.532 175.871 176.300 0.173 0.000 1.043 700 M CA -0.897 54.382 55.300 -0.035 0.000 0.928 700 M CB 1.909 34.431 32.600 -0.130 0.000 1.613 700 M HN 0.164 nan 8.290 nan 0.000 0.450 701 Y N 2.718 123.303 120.300 0.475 0.000 2.805 701 Y HA -0.010 4.540 4.550 0.001 0.000 0.337 701 Y C -1.494 174.526 175.900 0.200 0.000 1.252 701 Y CA -0.437 57.813 58.100 0.250 0.000 1.515 701 Y CB -0.114 38.445 38.460 0.166 0.000 1.305 701 Y HN 0.524 nan 8.280 nan 0.000 0.600 702 P HA -0.285 nan 4.420 nan 0.000 0.216 702 P C 1.156 178.566 177.300 0.183 0.000 1.150 702 P CA 2.684 65.889 63.100 0.175 0.000 0.843 702 P CB 0.106 31.881 31.700 0.125 0.000 0.787 703 A N -1.249 121.692 122.820 0.201 0.000 1.883 703 A HA -0.222 4.098 4.320 0.001 0.000 0.217 703 A C 2.141 179.864 177.584 0.232 0.000 1.186 703 A CA 1.568 53.700 52.037 0.157 0.000 0.624 703 A CB -1.845 17.195 19.000 0.067 0.000 0.822 703 A HN 0.161 nan 8.150 nan 0.000 0.444 704 F N 0.674 120.744 119.950 0.199 0.000 2.186 704 F HA -0.098 4.430 4.527 0.001 0.000 0.299 704 F C 2.115 178.003 175.800 0.148 0.000 1.090 704 F CA 1.882 59.999 58.000 0.195 0.000 1.307 704 F CB -0.112 39.060 39.000 0.286 0.000 1.019 704 F HN 0.131 nan 8.300 nan 0.000 0.489 705 K N -0.070 120.447 120.400 0.196 0.000 2.152 705 K HA -0.191 4.129 4.320 0.001 0.000 0.206 705 K C 2.137 178.749 176.600 0.021 0.000 1.048 705 K CA 1.420 57.766 56.287 0.097 0.000 0.933 705 K CB -0.200 32.345 32.500 0.075 0.000 0.721 705 K HN 0.304 nan 8.250 nan 0.000 0.447 706 R N 0.400 120.921 120.500 0.035 0.000 2.091 706 R HA -0.123 4.218 4.340 0.001 0.000 0.238 706 R C 2.320 178.551 176.300 -0.115 0.000 1.136 706 R CA 1.379 57.493 56.100 0.023 0.000 0.959 706 R CB -0.470 29.938 30.300 0.180 0.000 0.856 706 R HN 0.017 nan 8.270 nan 0.000 0.437 707 V N 0.096 119.891 119.914 -0.199 0.000 2.270 707 V HA -0.248 3.873 4.120 0.001 0.000 0.245 707 V C 2.029 177.977 176.094 -0.243 0.000 1.043 707 V CA 1.528 63.619 62.300 -0.349 0.000 1.014 707 V CB -0.639 30.905 31.823 -0.465 0.000 0.645 707 V HN 0.534 nan 8.190 nan 0.000 0.447 708 W N 0.858 121.830 121.300 -0.547 0.000 2.358 708 W HA -0.218 4.442 4.660 0.001 0.000 0.303 708 W C 2.364 178.819 176.519 -0.107 0.000 1.208 708 W CA 2.074 59.228 57.345 -0.317 0.000 1.274 708 W CB -0.243 29.036 29.460 -0.300 0.000 1.138 708 W HN 0.282 nan 8.180 nan 0.000 0.515 709 T N -0.081 114.441 114.554 -0.052 0.000 2.746 709 T HA -0.291 4.060 4.350 0.001 0.000 0.267 709 T C 1.322 175.853 174.700 -0.281 0.000 1.039 709 T CA 1.769 63.778 62.100 -0.152 0.000 1.142 709 T CB -0.869 67.962 68.868 -0.063 0.000 0.866 709 T HN 0.222 nan 8.240 nan 0.000 0.444 710 Y N 0.927 121.029 120.300 -0.330 0.000 2.181 710 Y HA -0.139 4.412 4.550 0.001 0.000 0.288 710 Y C 2.014 177.680 175.900 -0.390 0.000 1.146 710 Y CA 1.064 58.940 58.100 -0.372 0.000 1.164 710 Y CB -0.484 37.744 38.460 -0.387 0.000 0.982 710 Y HN 0.233 nan 8.280 nan 0.000 0.515 711 F N 0.847 120.537 119.950 -0.434 0.000 2.075 711 F HA -0.266 4.261 4.527 0.001 0.000 0.297 711 F C 2.248 177.652 175.800 -0.660 0.000 1.113 711 F CA 2.065 59.730 58.000 -0.558 0.000 1.218 711 F CB -0.610 38.050 39.000 -0.567 0.000 0.984 711 F HN 0.065 nan 8.300 nan 0.000 0.472 712 Q N 0.208 119.516 119.800 -0.820 0.000 2.119 712 Q HA -0.194 4.147 4.340 0.001 0.000 0.201 712 Q C 2.437 178.029 176.000 -0.679 0.000 0.972 712 Q CA 1.799 57.120 55.803 -0.804 0.000 0.847 712 Q CB -0.575 27.819 28.738 -0.573 0.000 0.903 712 Q HN 0.511 nan 8.270 nan 0.000 0.433 713 R N 0.059 120.113 120.500 -0.743 0.000 2.112 713 R HA 0.014 4.355 4.340 0.001 0.000 0.216 713 R C 1.858 177.746 176.300 -0.686 0.000 1.080 713 R CA 0.689 56.299 56.100 -0.817 0.000 0.996 713 R CB 0.488 30.123 30.300 -1.107 0.000 0.902 713 R HN 0.061 nan 8.270 nan 0.000 0.449 714 V N 0.341 119.767 119.914 -0.812 0.000 2.806 714 V HA 0.012 4.133 4.120 0.001 0.000 0.239 714 V C 2.097 177.737 176.094 -0.756 0.000 1.113 714 V CA 0.561 62.375 62.300 -0.811 0.000 1.137 714 V CB -0.032 31.059 31.823 -1.220 0.000 0.865 714 V HN 0.184 nan 8.190 nan 0.000 0.482 715 L N -0.142 120.551 121.223 -0.883 0.000 2.095 715 L HA -0.048 4.293 4.340 0.001 0.000 0.204 715 L C 2.489 178.616 176.870 -1.239 0.000 1.080 715 L CA 0.865 55.126 54.840 -0.965 0.000 0.759 715 L CB -0.541 41.056 42.059 -0.770 0.000 0.914 715 L HN 0.170 nan 8.230 nan 0.000 0.439 716 V N 0.492 119.766 119.914 -1.066 0.000 2.287 716 V HA -0.313 3.808 4.120 0.001 0.000 0.248 716 V C 2.612 178.462 176.094 -0.407 0.000 1.053 716 V CA 2.082 63.946 62.300 -0.726 0.000 1.027 716 V CB -0.533 30.921 31.823 -0.615 0.000 0.646 716 V HN 0.398 nan 8.190 nan 0.000 0.447 717 K N 1.113 121.277 120.400 -0.394 0.000 2.057 717 K HA -0.207 4.114 4.320 0.001 0.000 0.207 717 K C 2.147 178.631 176.600 -0.192 0.000 1.049 717 K CA 1.874 58.022 56.287 -0.232 0.000 0.931 717 K CB -0.500 31.859 32.500 -0.235 0.000 0.714 717 K HN 0.378 nan 8.250 nan 0.000 0.440 718 K N -0.964 119.256 120.400 -0.300 0.000 2.103 718 K HA -0.187 4.134 4.320 0.001 0.000 0.207 718 K C 1.827 178.430 176.600 0.006 0.000 1.048 718 K CA 1.574 57.754 56.287 -0.180 0.000 0.930 718 K CB -0.225 32.129 32.500 -0.242 0.000 0.716 718 K HN 0.152 nan 8.250 nan 0.000 0.444 719 Y N 0.238 120.517 120.300 -0.034 0.000 2.200 719 Y HA -0.079 4.472 4.550 0.002 0.000 0.290 719 Y C 2.448 178.365 175.900 0.030 0.000 1.137 719 Y CA 0.591 58.709 58.100 0.029 0.000 1.163 719 Y CB -1.189 37.310 38.460 0.064 0.000 0.988 719 Y HN 0.139 nan 8.280 nan 0.000 0.518 720 A N -0.630 122.285 122.820 0.158 0.000 1.908 720 A HA -0.229 4.092 4.320 0.001 0.000 0.218 720 A C 2.619 180.254 177.584 0.085 0.000 1.181 720 A CA 2.195 54.298 52.037 0.110 0.000 0.627 720 A CB -1.176 17.867 19.000 0.071 0.000 0.818 720 A HN 0.404 nan 8.150 nan 0.000 0.445 721 S N -0.567 115.165 115.700 0.053 0.000 2.382 721 S HA -0.182 4.289 4.470 0.001 0.000 0.228 721 S C 1.830 176.460 174.600 0.050 0.000 1.027 721 S CA 1.682 59.905 58.200 0.038 0.000 0.991 721 S CB -0.342 62.862 63.200 0.007 0.000 0.823 721 S HN 0.667 nan 8.310 nan 0.000 0.469 722 E N -0.062 120.181 120.200 0.071 0.000 2.158 722 E HA 0.067 4.417 4.350 0.001 0.000 0.191 722 E C 1.875 178.500 176.600 0.042 0.000 0.982 722 E CA 0.558 56.990 56.400 0.054 0.000 0.823 722 E CB 0.085 29.840 29.700 0.092 0.000 0.766 722 E HN 0.440 nan 8.360 nan 0.000 0.468 723 R N 0.554 121.107 120.500 0.088 0.000 2.432 723 R HA 0.124 4.465 4.340 0.001 0.000 0.260 723 R C -0.115 176.263 176.300 0.130 0.000 0.935 723 R CA -0.143 56.017 56.100 0.100 0.000 1.080 723 R CB 0.301 30.666 30.300 0.108 0.000 1.155 723 R HN -0.023 nan 8.270 nan 0.000 0.531 724 N N 1.468 120.238 118.700 0.116 0.000 2.699 724 N HA -0.149 4.592 4.740 0.001 0.000 0.257 724 N C -0.533 175.043 175.510 0.110 0.000 1.077 724 N CA 1.300 54.420 53.050 0.115 0.000 0.702 724 N CB -1.186 37.386 38.487 0.142 0.000 0.886 724 N HN 0.596 nan 8.380 nan 0.000 0.549 725 G N -1.715 107.149 108.800 0.106 0.000 2.722 725 G HA2 0.192 4.152 3.960 0.001 0.000 0.686 725 G HA3 0.192 4.152 3.960 0.001 0.000 0.686 725 G C -0.367 174.611 174.900 0.131 0.000 1.282 725 G CA -0.006 45.161 45.100 0.113 0.000 0.817 725 G HN 1.556 nan 8.290 nan 0.000 0.605 726 V N -1.104 118.894 119.914 0.139 0.000 2.925 726 V HA 0.851 4.972 4.120 0.001 0.000 0.311 726 V C 0.014 176.190 176.094 0.138 0.000 1.104 726 V CA -0.927 61.463 62.300 0.150 0.000 0.954 726 V CB 2.123 34.048 31.823 0.170 0.000 1.022 726 V HN 1.245 nan 8.190 nan 0.000 0.427 727 N N 1.857 120.653 118.700 0.160 0.000 2.421 727 N HA 0.598 5.339 4.740 0.001 0.000 0.285 727 N C -1.433 174.121 175.510 0.074 0.000 1.027 727 N CA -0.238 52.894 53.050 0.136 0.000 0.918 727 N CB 2.018 40.639 38.487 0.223 0.000 1.152 727 N HN 0.666 nan 8.380 nan 0.000 0.485 728 V N 5.044 124.875 119.914 -0.138 0.000 2.540 728 V HA 0.506 4.627 4.120 0.001 0.000 0.302 728 V C 0.001 176.043 176.094 -0.085 0.000 1.035 728 V CA -0.686 61.494 62.300 -0.199 0.000 0.873 728 V CB 1.578 33.029 31.823 -0.620 0.000 0.992 728 V HN 0.551 nan 8.190 nan 0.000 0.428 729 I N 3.468 124.119 120.570 0.135 0.000 2.418 729 I HA 0.551 4.722 4.170 0.001 0.000 0.287 729 I C -0.025 176.313 176.117 0.369 0.000 1.008 729 I CA 0.002 61.480 61.300 0.296 0.000 1.104 729 I CB 1.927 40.102 38.000 0.292 0.000 1.264 729 I HN 0.542 nan 8.210 nan 0.000 0.438 730 S N 3.148 119.057 115.700 0.348 0.000 2.638 730 S HA 0.972 5.443 4.470 0.001 0.000 0.302 730 S C -0.058 174.395 174.600 -0.245 0.000 1.096 730 S CA -0.705 57.549 58.200 0.091 0.000 0.953 730 S CB 2.431 65.903 63.200 0.455 0.000 1.107 730 S HN 0.928 nan 8.310 nan 0.000 0.503 731 G N 1.049 109.334 108.800 -0.859 0.000 2.349 731 G HA2 0.556 4.517 3.960 0.001 0.000 0.294 731 G HA3 0.556 4.517 3.960 0.001 0.000 0.294 731 G C -3.597 171.122 174.900 -0.301 0.000 1.380 731 G CA -0.772 44.042 45.100 -0.477 0.000 0.811 731 G HN 0.445 nan 8.290 nan 0.000 0.519 732 P HA 0.671 nan 4.420 nan 0.000 0.284 732 P C -0.856 176.346 177.300 -0.164 0.000 1.258 732 P CA -0.496 62.409 63.100 -0.325 0.000 0.824 732 P CB 2.165 33.676 31.700 -0.315 0.000 1.038 733 I N 1.851 122.139 120.570 -0.469 0.000 2.582 733 I HA 0.369 4.540 4.170 0.001 0.000 0.292 733 I C -0.666 175.100 176.117 -0.585 0.000 1.066 733 I CA -0.844 60.293 61.300 -0.271 0.000 1.053 733 I CB 1.694 39.657 38.000 -0.063 0.000 1.241 733 I HN 0.169 nan 8.210 nan 0.000 0.421 734 F N 4.201 124.086 119.950 -0.109 0.000 2.403 734 F HA 0.349 4.877 4.527 0.001 0.000 0.355 734 F C -0.023 175.755 175.800 -0.037 0.000 1.119 734 F CA -0.545 57.413 58.000 -0.071 0.000 1.007 734 F CB 1.090 40.057 39.000 -0.055 0.000 1.194 734 F HN 0.289 nan 8.300 nan 0.000 0.443 735 D N 2.265 122.709 120.400 0.073 0.000 2.849 735 D HA 0.144 4.785 4.640 0.001 0.000 0.314 735 D C 0.394 176.717 176.300 0.039 0.000 1.210 735 D CA -0.252 53.785 54.000 0.061 0.000 0.756 735 D CB -0.044 40.767 40.800 0.018 0.000 1.222 735 D HN 0.402 nan 8.370 nan 0.000 0.521 736 Y N 0.609 120.954 120.300 0.074 0.000 2.333 736 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 736 Y C 1.973 177.890 175.900 0.028 0.000 1.144 736 Y CA 1.271 59.410 58.100 0.066 0.000 1.228 736 Y CB 0.039 38.522 38.460 0.038 0.000 0.985 736 Y HN 0.293 nan 8.280 nan 0.000 0.542 737 N N -0.483 118.231 118.700 0.023 0.000 2.268 737 N HA -0.107 4.634 4.740 0.001 0.000 0.204 737 N C -0.112 174.956 175.510 -0.737 0.000 1.124 737 N CA 0.089 52.932 53.050 -0.344 0.000 0.838 737 N CB -1.506 36.814 38.487 -0.278 0.000 0.994 737 N HN 0.510 nan 8.380 nan 0.000 0.489 738 Y N -0.602 119.705 120.300 0.011 0.000 3.152 738 Y HA -0.329 4.222 4.550 0.001 0.000 0.212 738 Y C 0.047 175.931 175.900 -0.027 0.000 1.198 738 Y CA 0.330 58.420 58.100 -0.016 0.000 1.220 738 Y CB -3.139 35.303 38.460 -0.030 0.000 1.326 738 Y HN 0.338 nan 8.280 nan 0.000 0.562 739 N N 0.598 119.258 118.700 -0.066 0.000 2.230 739 N HA 0.310 5.051 4.740 0.001 0.000 0.202 739 N C 1.449 176.967 175.510 0.012 0.000 1.119 739 N CA 0.287 53.312 53.050 -0.042 0.000 0.851 739 N CB 0.435 38.862 38.487 -0.101 0.000 0.990 739 N HN 1.199 nan 8.380 nan 0.000 0.497 740 G N -0.060 108.759 108.800 0.032 0.000 2.162 740 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 740 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 740 G C -0.477 174.463 174.900 0.067 0.000 0.976 740 G CA 0.636 45.778 45.100 0.070 0.000 0.655 740 G HN 0.371 nan 8.290 nan 0.000 0.533 741 L N -0.651 120.584 121.223 0.021 0.000 2.354 741 L HA 0.569 4.910 4.340 0.001 0.000 0.269 741 L C 1.029 177.895 176.870 -0.006 0.000 1.005 741 L CA -1.356 53.493 54.840 0.015 0.000 0.819 741 L CB 1.678 43.726 42.059 -0.019 0.000 1.311 741 L HN 0.183 nan 8.230 nan 0.000 0.423 742 R N 1.606 122.091 120.500 -0.024 0.000 2.486 742 R HA -0.070 4.270 4.340 0.001 0.000 0.304 742 R C -0.775 175.471 176.300 -0.090 0.000 0.913 742 R CA -0.038 56.012 56.100 -0.084 0.000 1.124 742 R CB 0.118 30.300 30.300 -0.197 0.000 0.891 742 R HN 0.475 nan 8.270 nan 0.000 0.410 743 D N 4.290 124.664 120.400 -0.043 0.000 2.372 743 D HA 0.102 4.743 4.640 0.001 0.000 0.243 743 D C 0.773 177.021 176.300 -0.085 0.000 1.121 743 D CA -0.108 53.879 54.000 -0.022 0.000 0.898 743 D CB 0.708 41.556 40.800 0.080 0.000 1.202 743 D HN 0.491 nan 8.370 nan 0.000 0.428 744 I N -1.833 118.715 120.570 -0.036 0.000 2.970 744 I HA 0.220 4.391 4.170 0.001 0.000 0.310 744 I C 1.233 177.385 176.117 0.058 0.000 1.010 744 I CA -0.695 60.609 61.300 0.007 0.000 1.228 744 I CB 0.800 38.806 38.000 0.011 0.000 1.433 744 I HN 0.280 nan 8.210 nan 0.000 0.573 745 E N 0.854 121.124 120.200 0.117 0.000 2.097 745 E HA -0.277 4.073 4.350 0.001 0.000 0.196 745 E C 1.304 177.941 176.600 0.061 0.000 1.000 745 E CA 2.221 58.690 56.400 0.116 0.000 0.804 745 E CB -0.138 29.588 29.700 0.044 0.000 0.740 745 E HN 0.827 nan 8.360 nan 0.000 0.454 746 D N 0.454 120.876 120.400 0.036 0.000 2.265 746 D HA -0.153 4.487 4.640 0.001 0.000 0.208 746 D C 1.320 177.621 176.300 0.002 0.000 0.977 746 D CA 0.992 55.004 54.000 0.020 0.000 0.871 746 D CB 0.104 40.909 40.800 0.010 0.000 0.925 746 D HN 0.187 nan 8.370 nan 0.000 0.485 747 E N -0.781 119.418 120.200 -0.002 0.000 2.442 747 E HA 0.115 4.466 4.350 0.001 0.000 0.195 747 E C 0.316 176.878 176.600 -0.064 0.000 1.030 747 E CA -0.174 56.220 56.400 -0.011 0.000 0.869 747 E CB 0.532 30.242 29.700 0.016 0.000 0.857 747 E HN 0.374 nan 8.360 nan 0.000 0.505 748 I N 1.875 122.372 120.570 -0.121 0.000 2.556 748 I HA -0.017 4.154 4.170 0.001 0.000 0.284 748 I C 1.062 176.794 176.117 -0.642 0.000 1.114 748 I CA 0.221 61.277 61.300 -0.408 0.000 1.418 748 I CB 0.719 38.566 38.000 -0.255 0.000 1.394 748 I HN -0.141 nan 8.210 nan 0.000 0.552 749 K N 4.855 124.494 120.400 -1.270 0.000 2.438 749 K HA 0.216 4.537 4.320 0.001 0.000 0.206 749 K C -0.150 176.143 176.600 -0.512 0.000 1.081 749 K CA 0.132 56.011 56.287 -0.680 0.000 1.053 749 K CB 0.743 32.983 32.500 -0.434 0.000 0.908 749 K HN 0.593 nan 8.250 nan 0.000 0.556 750 Q N -0.093 119.277 119.800 -0.718 0.000 2.331 750 Q HA 0.396 4.737 4.340 0.001 0.000 0.272 750 Q C -1.625 174.083 176.000 -0.487 0.000 1.062 750 Q CA -0.648 54.978 55.803 -0.294 0.000 0.806 750 Q CB 1.520 30.284 28.738 0.042 0.000 1.312 750 Q HN -0.049 nan 8.270 nan 0.000 0.431 751 Y N 0.365 120.683 120.300 0.030 0.000 2.570 751 Y HA 0.470 5.021 4.550 0.001 0.000 0.345 751 Y C -0.148 175.757 175.900 0.009 0.000 1.014 751 Y CA -1.057 57.062 58.100 0.031 0.000 1.063 751 Y CB 1.646 40.106 38.460 0.001 0.000 1.272 751 Y HN 0.320 nan 8.280 nan 0.000 0.477 752 V N 1.202 121.198 119.914 0.137 0.000 2.763 752 V HA -0.066 4.055 4.120 0.001 0.000 0.306 752 V C 0.371 176.467 176.094 0.003 0.000 1.059 752 V CA -0.475 61.822 62.300 -0.006 0.000 1.138 752 V CB 0.687 32.383 31.823 -0.212 0.000 0.940 752 V HN 0.777 nan 8.190 nan 0.000 0.489 753 E N 3.123 123.318 120.200 -0.008 0.000 2.652 753 E HA 0.176 4.527 4.350 0.001 0.000 0.255 753 E C 1.224 177.814 176.600 -0.018 0.000 0.952 753 E CA 0.802 57.207 56.400 0.009 0.000 0.947 753 E CB -0.106 29.606 29.700 0.019 0.000 0.912 753 E HN 1.098 nan 8.360 nan 0.000 0.489 754 G N 3.100 111.895 108.800 -0.009 0.000 2.155 754 G HA2 -0.324 3.637 3.960 0.001 0.000 0.257 754 G HA3 -0.324 3.637 3.960 0.001 0.000 0.257 754 G C 0.102 174.975 174.900 -0.046 0.000 0.983 754 G CA 0.667 45.751 45.100 -0.026 0.000 0.676 754 G HN 1.005 nan 8.290 nan 0.000 0.528 755 S N -1.713 113.959 115.700 -0.047 0.000 2.740 755 S HA 0.788 5.259 4.470 0.001 0.000 0.300 755 S C 0.773 175.324 174.600 -0.081 0.000 1.147 755 S CA 0.654 58.818 58.200 -0.059 0.000 0.871 755 S CB 1.704 64.865 63.200 -0.065 0.000 1.173 755 S HN 1.402 nan 8.310 nan 0.000 0.510 756 S N -0.136 115.516 115.700 -0.080 0.000 2.574 756 S HA 0.386 4.857 4.470 0.001 0.000 0.242 756 S C 0.041 174.724 174.600 0.138 0.000 0.982 756 S CA -0.626 57.494 58.200 -0.132 0.000 0.977 756 S CB -0.989 62.112 63.200 -0.165 0.000 0.814 756 S HN 0.624 nan 8.310 nan 0.000 0.464 757 I N 4.319 124.997 120.570 0.181 0.000 2.436 757 I HA 0.276 4.447 4.170 0.001 0.000 0.289 757 I C -2.197 174.128 176.117 0.347 0.000 1.083 757 I CA -2.214 59.225 61.300 0.232 0.000 1.372 757 I CB 0.623 38.697 38.000 0.123 0.000 1.408 757 I HN 0.084 nan 8.210 nan 0.000 0.516 758 P HA 0.139 nan 4.420 nan 0.000 0.277 758 P C -0.652 176.850 177.300 0.336 0.000 1.240 758 P CA -0.246 62.986 63.100 0.219 0.000 0.798 758 P CB 1.519 33.328 31.700 0.183 0.000 0.979 759 V N 4.606 124.672 119.914 0.254 0.000 2.347 759 V HA 0.256 4.377 4.120 0.001 0.000 0.280 759 V C -2.085 174.102 176.094 0.154 0.000 1.021 759 V CA -2.093 60.334 62.300 0.210 0.000 0.847 759 V CB 0.982 32.883 31.823 0.130 0.000 0.990 759 V HN 0.518 nan 8.190 nan 0.000 0.444 760 P HA 0.096 nan 4.420 nan 0.000 0.268 760 P C 1.080 178.054 177.300 -0.543 0.000 1.205 760 P CA 0.079 62.585 63.100 -0.990 0.000 0.771 760 P CB 0.561 31.399 31.700 -1.437 0.000 0.858 761 T N -1.069 113.138 114.554 -0.580 0.000 3.043 761 T HA 0.006 4.356 4.350 0.001 0.000 0.263 761 T C 0.269 174.552 174.700 -0.696 0.000 1.094 761 T CA 0.985 62.765 62.100 -0.533 0.000 1.127 761 T CB -0.522 68.082 68.868 -0.440 0.000 0.905 761 T HN 0.453 nan 8.240 nan 0.000 0.490 762 H N -1.415 117.353 119.070 -0.503 0.000 3.016 762 H HA 0.602 5.159 4.556 0.002 0.000 0.362 762 H C -1.852 173.070 175.328 -0.677 0.000 1.233 762 H CA -1.012 54.794 56.048 -0.403 0.000 1.124 762 H CB 1.178 30.829 29.762 -0.184 0.000 1.850 762 H HN 0.147 nan 8.280 nan 0.000 0.549 763 Y N 0.957 121.151 120.300 -0.178 0.000 2.409 763 Y HA 0.325 4.876 4.550 0.001 0.000 0.343 763 Y C -0.713 175.217 175.900 0.049 0.000 0.973 763 Y CA -1.038 56.922 58.100 -0.234 0.000 1.064 763 Y CB 1.414 39.541 38.460 -0.555 0.000 1.207 763 Y HN 0.597 nan 8.280 nan 0.000 0.452 764 Y N -0.191 120.239 120.300 0.218 0.000 2.496 764 Y HA 0.837 5.388 4.550 0.001 0.000 0.331 764 Y C -0.557 175.546 175.900 0.339 0.000 1.140 764 Y CA -1.400 56.847 58.100 0.246 0.000 1.166 764 Y CB 1.886 40.447 38.460 0.169 0.000 1.249 764 Y HN 0.436 nan 8.280 nan 0.000 0.479 765 S N 2.264 118.274 115.700 0.517 0.000 2.572 765 S HA 0.660 5.131 4.470 0.001 0.000 0.274 765 S C -1.582 173.293 174.600 0.458 0.000 1.150 765 S CA -0.682 57.812 58.200 0.490 0.000 0.944 765 S CB 0.555 64.059 63.200 0.506 0.000 1.071 765 S HN 0.680 nan 8.310 nan 0.000 0.479 766 I N 5.014 125.793 120.570 0.349 0.000 2.389 766 I HA 0.495 4.665 4.170 0.001 0.000 0.288 766 I C -0.835 175.391 176.117 0.181 0.000 0.999 766 I CA -0.531 60.868 61.300 0.165 0.000 1.129 766 I CB 1.573 39.531 38.000 -0.070 0.000 1.288 766 I HN 0.531 nan 8.210 nan 0.000 0.444 767 I N 5.955 126.635 120.570 0.184 0.000 2.382 767 I HA 0.338 4.509 4.170 0.001 0.000 0.285 767 I C -0.349 175.851 176.117 0.138 0.000 1.007 767 I CA -0.177 61.237 61.300 0.190 0.000 1.142 767 I CB 1.600 39.751 38.000 0.251 0.000 1.289 767 I HN 0.476 nan 8.210 nan 0.000 0.453 768 T N 4.142 118.796 114.554 0.168 0.000 2.856 768 T HA 0.700 5.050 4.350 0.001 0.000 0.283 768 T C -0.107 174.700 174.700 0.179 0.000 1.008 768 T CA -0.681 61.511 62.100 0.154 0.000 0.997 768 T CB 1.861 70.847 68.868 0.198 0.000 0.992 768 T HN 0.727 nan 8.240 nan 0.000 0.454 769 S N 0.074 115.843 115.700 0.115 0.000 2.776 769 S HA 0.568 5.039 4.470 0.001 0.000 0.292 769 S C -0.681 173.970 174.600 0.085 0.000 1.187 769 S CA -0.943 57.333 58.200 0.128 0.000 0.834 769 S CB 0.802 64.069 63.200 0.112 0.000 1.199 769 S HN 0.849 nan 8.310 nan 0.000 0.514 770 c N 1.600 120.254 118.600 0.090 0.000 2.514 770 c HA 0.507 5.078 4.570 0.001 0.000 0.392 770 c C 1.946 176.054 174.090 0.030 0.000 1.294 770 c CA -0.554 55.807 56.329 0.054 0.000 1.957 770 c CB -0.608 41.935 42.510 0.056 0.000 2.541 770 c HN 0.859 nan 8.230 nan 0.000 0.569 771 L N 3.688 124.898 121.223 -0.022 0.000 2.083 771 L HA 0.024 4.365 4.340 0.001 0.000 0.209 771 L C 1.173 178.037 176.870 -0.010 0.000 1.083 771 L CA 1.864 56.683 54.840 -0.034 0.000 0.752 771 L CB -0.493 41.511 42.059 -0.091 0.000 0.899 771 L HN 0.791 nan 8.230 nan 0.000 0.433 772 D N -0.502 119.856 120.400 -0.070 0.000 2.402 772 D HA -0.047 4.594 4.640 0.001 0.000 0.235 772 D C 1.185 177.385 176.300 -0.165 0.000 1.226 772 D CA -0.311 53.574 54.000 -0.193 0.000 0.918 772 D CB 0.058 40.758 40.800 -0.166 0.000 1.043 772 D HN 0.313 nan 8.370 nan 0.000 0.506 773 F N 1.276 121.223 119.950 -0.004 0.000 2.546 773 F HA -0.034 4.494 4.527 0.002 0.000 0.298 773 F C 2.093 177.902 175.800 0.016 0.000 1.120 773 F CA 0.747 58.752 58.000 0.009 0.000 1.456 773 F CB -1.257 37.750 39.000 0.012 0.000 1.088 773 F HN 0.262 nan 8.300 nan 0.000 0.572 774 T N -2.411 112.019 114.554 -0.205 0.000 2.995 774 T HA -0.019 4.332 4.350 0.001 0.000 0.269 774 T C 0.689 175.381 174.700 -0.013 0.000 1.091 774 T CA 0.290 62.346 62.100 -0.074 0.000 1.128 774 T CB -0.403 68.365 68.868 -0.167 0.000 0.891 774 T HN 0.490 nan 8.240 nan 0.000 0.492 775 Q N 2.150 121.937 119.800 -0.021 0.000 2.241 775 Q HA 0.412 4.753 4.340 0.001 0.000 0.254 775 Q C -2.796 173.234 176.000 0.049 0.000 0.917 775 Q CA -2.625 53.184 55.803 0.010 0.000 0.919 775 Q CB 1.338 30.073 28.738 -0.004 0.000 1.237 775 Q HN 0.222 nan 8.270 nan 0.000 0.434 776 P HA -0.020 nan 4.420 nan 0.000 0.272 776 P C -0.115 177.231 177.300 0.077 0.000 1.223 776 P CA 0.153 63.295 63.100 0.069 0.000 0.784 776 P CB 0.683 32.417 31.700 0.056 0.000 0.923 777 A N 3.009 125.886 122.820 0.096 0.000 1.948 777 A HA -0.229 4.091 4.320 0.001 0.000 0.220 777 A C 1.582 179.225 177.584 0.098 0.000 1.177 777 A CA 2.247 54.355 52.037 0.118 0.000 0.636 777 A CB -1.304 17.780 19.000 0.140 0.000 0.815 777 A HN 0.667 nan 8.150 nan 0.000 0.449 778 D N -1.254 119.184 120.400 0.064 0.000 2.347 778 D HA 0.155 4.796 4.640 0.001 0.000 0.213 778 D C 0.813 177.126 176.300 0.023 0.000 0.985 778 D CA 1.395 55.412 54.000 0.027 0.000 0.879 778 D CB -0.284 40.524 40.800 0.013 0.000 0.919 778 D HN 0.401 nan 8.370 nan 0.000 0.526 779 K N 0.134 120.557 120.400 0.037 0.000 3.271 779 K HA 0.420 4.740 4.320 0.001 0.000 0.192 779 K C -0.519 176.104 176.600 0.037 0.000 1.108 779 K CA -0.487 55.818 56.287 0.030 0.000 0.902 779 K CB -0.702 31.811 32.500 0.022 0.000 0.889 779 K HN 0.288 nan 8.250 nan 0.000 0.520 780 c N 1.703 120.336 118.600 0.055 0.000 2.347 780 c HA 0.445 5.016 4.570 0.001 0.000 0.353 780 c C 0.549 174.666 174.090 0.045 0.000 1.273 780 c CA -0.287 56.075 56.329 0.054 0.000 1.861 780 c CB -0.111 42.450 42.510 0.086 0.000 2.420 780 c HN 0.743 nan 8.230 nan 0.000 0.542 781 D N 2.754 123.166 120.400 0.021 0.000 2.346 781 D HA 0.168 4.809 4.640 0.001 0.000 0.206 781 D C 1.106 177.411 176.300 0.007 0.000 1.001 781 D CA 0.805 54.813 54.000 0.014 0.000 0.871 781 D CB 0.632 41.433 40.800 0.002 0.000 0.943 781 D HN 0.824 nan 8.370 nan 0.000 0.518 782 G N 0.342 109.140 108.800 -0.003 0.000 3.252 782 G HA2 0.455 4.416 3.960 0.001 0.000 0.181 782 G HA3 0.455 4.416 3.960 0.001 0.000 0.181 782 G C -2.611 172.269 174.900 -0.034 0.000 1.187 782 G CA -0.739 44.348 45.100 -0.021 0.000 0.886 782 G HN -0.137 nan 8.290 nan 0.000 0.615 783 P HA 0.315 nan 4.420 nan 0.000 0.269 783 P C -0.455 176.781 177.300 -0.108 0.000 1.215 783 P CA -0.010 63.030 63.100 -0.100 0.000 0.780 783 P CB 0.625 32.254 31.700 -0.117 0.000 0.898 784 L N 0.549 121.672 121.223 -0.167 0.000 2.358 784 L HA 0.581 4.922 4.340 0.001 0.000 0.268 784 L C 0.641 177.377 176.870 -0.223 0.000 1.032 784 L CA -0.587 54.145 54.840 -0.180 0.000 0.805 784 L CB 1.331 43.217 42.059 -0.289 0.000 1.253 784 L HN 0.299 nan 8.230 nan 0.000 0.452 785 S N 0.678 116.270 115.700 -0.181 0.000 2.502 785 S HA 0.674 5.145 4.470 0.001 0.000 0.304 785 S C -1.186 173.305 174.600 -0.180 0.000 1.097 785 S CA -0.543 57.521 58.200 -0.226 0.000 1.045 785 S CB 1.642 64.754 63.200 -0.148 0.000 1.019 785 S HN 0.397 nan 8.310 nan 0.000 0.481 786 V N 4.517 124.295 119.914 -0.227 0.000 2.789 786 V HA 0.916 5.037 4.120 0.001 0.000 0.311 786 V C -0.881 175.229 176.094 0.027 0.000 1.073 786 V CA -0.235 62.024 62.300 -0.068 0.000 0.921 786 V CB 2.307 34.106 31.823 -0.040 0.000 1.009 786 V HN 1.114 nan 8.190 nan 0.000 0.426 787 S N 4.044 119.775 115.700 0.051 0.000 2.541 787 S HA 0.906 5.377 4.470 0.001 0.000 0.280 787 S C -0.818 173.721 174.600 -0.101 0.000 1.112 787 S CA -0.590 57.630 58.200 0.034 0.000 0.925 787 S CB 2.032 65.298 63.200 0.110 0.000 1.067 787 S HN 0.893 nan 8.310 nan 0.000 0.479 788 S N 0.845 116.364 115.700 -0.301 0.000 2.618 788 S HA 0.860 5.330 4.470 0.001 0.000 0.277 788 S C -1.635 172.627 174.600 -0.563 0.000 1.138 788 S CA -0.697 57.358 58.200 -0.242 0.000 0.844 788 S CB 0.844 64.017 63.200 -0.045 0.000 1.127 788 S HN 0.679 nan 8.310 nan 0.000 0.474 789 F N 0.465 120.527 119.950 0.186 0.000 2.613 789 F HA 0.632 5.160 4.527 0.002 0.000 0.310 789 F C -0.603 175.316 175.800 0.199 0.000 1.085 789 F CA -0.822 57.282 58.000 0.174 0.000 0.945 789 F CB 1.359 40.434 39.000 0.126 0.000 1.298 789 F HN 0.300 nan 8.300 nan 0.000 0.455 790 I N 3.918 124.718 120.570 0.384 0.000 2.495 790 I HA 0.297 4.468 4.170 0.001 0.000 0.277 790 I C -1.181 175.133 176.117 0.328 0.000 1.045 790 I CA -0.259 61.221 61.300 0.301 0.000 1.135 790 I CB 0.990 39.072 38.000 0.137 0.000 1.241 790 I HN 0.322 nan 8.210 nan 0.000 0.469 791 L N 7.652 129.066 121.223 0.318 0.000 2.305 791 L HA 0.465 4.806 4.340 0.001 0.000 0.281 791 L C -2.173 174.816 176.870 0.199 0.000 1.085 791 L CA -1.860 53.126 54.840 0.244 0.000 0.813 791 L CB 0.671 42.952 42.059 0.369 0.000 1.157 791 L HN 0.226 nan 8.230 nan 0.000 0.436 792 P HA 0.002 nan 4.420 nan 0.000 0.276 792 P C -0.981 176.257 177.300 -0.104 0.000 1.230 792 P CA 0.032 63.002 63.100 -0.217 0.000 0.776 792 P CB 0.463 32.030 31.700 -0.222 0.000 0.888 793 H N 4.827 123.617 119.070 -0.468 0.000 2.787 793 H HA 0.300 4.857 4.556 0.001 0.000 0.275 793 H C -0.331 174.910 175.328 -0.145 0.000 1.183 793 H CA -0.553 55.242 56.048 -0.420 0.000 1.290 793 H CB 0.255 29.652 29.762 -0.608 0.000 1.438 793 H HN 0.296 nan 8.280 nan 0.000 0.487 794 R N 4.412 124.896 120.500 -0.028 0.000 2.803 794 R HA 0.215 4.555 4.340 0.001 0.000 0.276 794 R C -1.966 174.166 176.300 -0.280 0.000 0.978 794 R CA -1.945 54.032 56.100 -0.206 0.000 0.939 794 R CB 1.784 31.926 30.300 -0.264 0.000 1.179 794 R HN 0.504 nan 8.270 nan 0.000 0.472 795 P HA -0.037 nan 4.420 nan 0.000 0.241 795 P C -0.930 176.120 177.300 -0.417 0.000 1.191 795 P CA 0.817 63.301 63.100 -1.027 0.000 0.771 795 P CB 0.185 31.173 31.700 -1.187 0.000 0.929 796 D N -2.194 118.042 120.400 -0.273 0.000 2.579 796 D HA 0.200 4.841 4.640 0.001 0.000 0.257 796 D C -0.087 176.120 176.300 -0.154 0.000 1.176 796 D CA -0.869 53.020 54.000 -0.185 0.000 0.914 796 D CB -0.014 40.672 40.800 -0.189 0.000 1.431 796 D HN -0.358 nan 8.370 nan 0.000 0.454 797 N N 0.022 118.617 118.700 -0.175 0.000 2.453 797 N HA 0.087 4.828 4.740 0.001 0.000 0.270 797 N C -0.359 174.992 175.510 -0.265 0.000 1.195 797 N CA -0.042 52.878 53.050 -0.216 0.000 0.902 797 N CB 0.535 38.813 38.487 -0.349 0.000 1.186 797 N HN 0.360 nan 8.380 nan 0.000 0.510 798 D N 0.812 121.077 120.400 -0.225 0.000 2.218 798 D HA -0.166 4.475 4.640 0.001 0.000 0.204 798 D C 1.639 177.800 176.300 -0.232 0.000 0.976 798 D CA 0.870 54.737 54.000 -0.221 0.000 0.853 798 D CB 0.273 40.959 40.800 -0.190 0.000 0.939 798 D HN 0.498 nan 8.370 nan 0.000 0.481 799 E N 0.076 120.142 120.200 -0.222 0.000 2.153 799 E HA -0.077 4.273 4.350 0.001 0.000 0.194 799 E C -0.122 176.380 176.600 -0.163 0.000 0.988 799 E CA 0.561 56.833 56.400 -0.212 0.000 0.811 799 E CB 0.244 29.869 29.700 -0.125 0.000 0.746 799 E HN -0.037 nan 8.360 nan 0.000 0.466 800 S N 0.098 115.684 115.700 -0.190 0.000 2.434 800 S HA 0.119 4.590 4.470 0.001 0.000 0.318 800 S C 0.451 174.869 174.600 -0.303 0.000 1.062 800 S CA -0.781 57.303 58.200 -0.193 0.000 1.116 800 S CB 1.148 64.235 63.200 -0.188 0.000 0.977 800 S HN 0.302 nan 8.310 nan 0.000 0.480 801 c N 2.826 121.293 118.600 -0.222 0.000 2.419 801 c HA -0.053 4.518 4.570 0.001 0.000 0.283 801 c C 1.778 175.717 174.090 -0.252 0.000 1.373 801 c CA 0.581 56.772 56.329 -0.229 0.000 1.781 801 c CB -1.499 40.896 42.510 -0.191 0.000 1.886 801 c HN 0.828 nan 8.230 nan 0.000 0.520 802 N N 0.308 118.849 118.700 -0.265 0.000 2.251 802 N HA -0.013 4.728 4.740 0.001 0.000 0.217 802 N C 1.408 176.605 175.510 -0.522 0.000 1.124 802 N CA 0.235 53.132 53.050 -0.255 0.000 0.843 802 N CB 0.167 38.601 38.487 -0.088 0.000 1.024 802 N HN 0.542 nan 8.380 nan 0.000 0.501 803 S N -0.466 114.695 115.700 -0.898 0.000 2.555 803 S HA -0.117 4.354 4.470 0.001 0.000 0.230 803 S C 1.946 176.066 174.600 -0.801 0.000 0.978 803 S CA 0.711 57.878 58.200 -1.721 0.000 0.934 803 S CB -0.283 61.834 63.200 -1.804 0.000 0.766 803 S HN 0.316 nan 8.310 nan 0.000 0.533 804 S N 0.880 116.318 115.700 -0.437 0.000 2.447 804 S HA 0.000 4.471 4.470 0.001 0.000 0.233 804 S C 0.670 175.202 174.600 -0.114 0.000 1.006 804 S CA 0.018 58.083 58.200 -0.224 0.000 0.957 804 S CB -0.432 62.667 63.200 -0.169 0.000 0.773 804 S HN 0.703 nan 8.310 nan 0.000 0.507 805 E N 1.345 121.489 120.200 -0.093 0.000 2.620 805 E HA 0.267 4.618 4.350 0.001 0.000 0.255 805 E C -0.649 176.064 176.600 0.187 0.000 1.346 805 E CA -0.579 55.846 56.400 0.042 0.000 1.013 805 E CB 0.186 29.922 29.700 0.060 0.000 1.131 805 E HN 0.324 nan 8.360 nan 0.000 0.608 806 D N -0.194 120.279 120.400 0.122 0.000 2.414 806 D HA -0.041 4.599 4.640 0.001 0.000 0.242 806 D C 0.384 176.668 176.300 -0.026 0.000 1.129 806 D CA 0.126 54.165 54.000 0.064 0.000 0.885 806 D CB 0.772 41.564 40.800 -0.014 0.000 1.198 806 D HN 0.249 nan 8.370 nan 0.000 0.437 807 E N 0.655 120.689 120.200 -0.278 0.000 2.233 807 E HA -0.214 4.137 4.350 0.001 0.000 0.199 807 E C 1.810 177.664 176.600 -1.243 0.000 1.004 807 E CA 1.446 57.220 56.400 -1.044 0.000 0.819 807 E CB -0.158 28.933 29.700 -1.015 0.000 0.738 807 E HN 0.507 nan 8.360 nan 0.000 0.478 808 S N -0.325 114.934 115.700 -0.735 0.000 2.547 808 S HA -0.031 4.439 4.470 0.001 0.000 0.235 808 S C 1.386 175.811 174.600 -0.293 0.000 0.980 808 S CA 0.515 58.426 58.200 -0.483 0.000 0.941 808 S CB 0.116 63.239 63.200 -0.128 0.000 0.763 808 S HN 0.013 nan 8.310 nan 0.000 0.532 809 K N 0.291 120.552 120.400 -0.232 0.000 2.358 809 K HA 0.203 4.523 4.320 0.001 0.000 0.200 809 K C 0.951 177.590 176.600 0.065 0.000 1.030 809 K CA 0.293 56.559 56.287 -0.035 0.000 1.097 809 K CB 0.200 32.741 32.500 0.068 0.000 0.862 809 K HN 0.865 nan 8.250 nan 0.000 0.534 810 W N -2.230 118.946 121.300 -0.206 0.000 2.350 810 W HA 0.118 4.779 4.660 0.001 0.000 0.175 810 W C 0.736 177.142 176.519 -0.188 0.000 0.875 810 W CA -0.086 57.156 57.345 -0.172 0.000 1.094 810 W CB -0.543 28.824 29.460 -0.155 0.000 0.715 810 W HN -0.263 nan 8.180 nan 0.000 0.706 811 V N 2.736 122.069 119.914 -0.967 0.000 2.295 811 V HA -0.263 3.858 4.120 0.001 0.000 0.246 811 V C 2.415 178.293 176.094 -0.361 0.000 1.049 811 V CA 2.721 64.511 62.300 -0.850 0.000 1.024 811 V CB -0.662 30.495 31.823 -1.109 0.000 0.648 811 V HN 0.107 nan 8.190 nan 0.000 0.447 812 E N -0.285 119.745 120.200 -0.284 0.000 2.110 812 E HA -0.272 4.079 4.350 0.001 0.000 0.193 812 E C 2.245 178.762 176.600 -0.137 0.000 0.988 812 E CA 1.287 57.591 56.400 -0.160 0.000 0.804 812 E CB -0.087 29.565 29.700 -0.081 0.000 0.745 812 E HN 0.712 nan 8.360 nan 0.000 0.458 813 E N 0.900 121.047 120.200 -0.088 0.000 2.085 813 E HA -0.228 4.123 4.350 0.001 0.000 0.194 813 E C 2.204 178.813 176.600 0.014 0.000 0.994 813 E CA 0.792 57.175 56.400 -0.030 0.000 0.801 813 E CB -0.018 29.694 29.700 0.019 0.000 0.743 813 E HN 0.112 nan 8.360 nan 0.000 0.453 814 L N 0.594 121.851 121.223 0.057 0.000 2.012 814 L HA -0.180 4.161 4.340 0.001 0.000 0.210 814 L C 2.324 179.282 176.870 0.147 0.000 1.073 814 L CA 1.842 56.770 54.840 0.146 0.000 0.748 814 L CB -0.349 41.811 42.059 0.169 0.000 0.891 814 L HN 0.254 nan 8.230 nan 0.000 0.431 815 M N -0.860 118.727 119.600 -0.021 0.000 2.117 815 M HA -0.235 4.246 4.480 0.001 0.000 0.262 815 M C 2.215 178.577 176.300 0.105 0.000 1.065 815 M CA 1.846 57.096 55.300 -0.083 0.000 1.114 815 M CB -0.395 31.921 32.600 -0.473 0.000 1.361 815 M HN 0.158 nan 8.290 nan 0.000 0.408 816 K N -0.134 120.217 120.400 -0.082 0.000 2.103 816 K HA -0.197 4.124 4.320 0.001 0.000 0.207 816 K C 1.873 178.490 176.600 0.027 0.000 1.048 816 K CA 1.457 57.619 56.287 -0.209 0.000 0.930 816 K CB -0.301 31.971 32.500 -0.381 0.000 0.716 816 K HN 0.206 nan 8.250 nan 0.000 0.444 817 M N 0.227 119.848 119.600 0.035 0.000 2.374 817 M HA -0.097 4.384 4.480 0.001 0.000 0.264 817 M C 0.826 177.006 176.300 -0.201 0.000 1.067 817 M CA 1.696 56.956 55.300 -0.066 0.000 1.103 817 M CB 0.132 32.694 32.600 -0.062 0.000 1.402 817 M HN 0.099 nan 8.290 nan 0.000 0.444 818 H N -0.766 118.393 119.070 0.149 0.000 2.486 818 H HA 0.213 4.770 4.556 0.001 0.000 0.284 818 H C 0.193 175.674 175.328 0.254 0.000 1.103 818 H CA 0.008 56.163 56.048 0.178 0.000 1.089 818 H CB -0.247 29.634 29.762 0.198 0.000 1.603 818 H HN 0.230 nan 8.280 nan 0.000 0.557 819 T N 1.125 115.856 114.554 0.294 0.000 2.856 819 T HA 0.331 4.682 4.350 0.001 0.000 0.329 819 T C 0.161 174.893 174.700 0.052 0.000 1.094 819 T CA 0.050 62.237 62.100 0.146 0.000 1.112 819 T CB 0.364 69.345 68.868 0.188 0.000 1.009 819 T HN 0.510 nan 8.240 nan 0.000 0.550 820 A N 3.653 126.452 122.820 -0.035 0.000 2.609 820 A HA 0.711 5.032 4.320 0.001 0.000 0.291 820 A C -0.687 176.883 177.584 -0.023 0.000 1.096 820 A CA -0.986 51.048 52.037 -0.006 0.000 0.684 820 A CB 1.348 20.370 19.000 0.038 0.000 1.282 820 A HN 0.867 nan 8.150 nan 0.000 0.412 821 R N 0.353 120.863 120.500 0.017 0.000 2.500 821 R HA 0.417 4.758 4.340 0.001 0.000 0.275 821 R C 0.805 177.119 176.300 0.024 0.000 1.051 821 R CA -0.649 55.468 56.100 0.030 0.000 1.088 821 R CB 0.955 31.295 30.300 0.067 0.000 1.063 821 R HN 0.404 nan 8.270 nan 0.000 0.511 822 V N 2.013 121.946 119.914 0.032 0.000 2.392 822 V HA -0.260 3.860 4.120 0.001 0.000 0.249 822 V C 2.381 178.486 176.094 0.018 0.000 1.059 822 V CA 1.924 64.226 62.300 0.003 0.000 1.051 822 V CB -0.578 31.288 31.823 0.072 0.000 0.658 822 V HN 0.645 nan 8.190 nan 0.000 0.455 823 R N 0.603 121.113 120.500 0.017 0.000 2.127 823 R HA -0.164 4.177 4.340 0.001 0.000 0.238 823 R C 1.888 178.060 176.300 -0.213 0.000 1.134 823 R CA 1.762 57.805 56.100 -0.094 0.000 0.975 823 R CB -0.637 29.629 30.300 -0.057 0.000 0.865 823 R HN 0.553 nan 8.270 nan 0.000 0.447 824 D N -0.156 120.239 120.400 -0.009 0.000 2.097 824 D HA -0.134 4.507 4.640 0.001 0.000 0.195 824 D C 1.920 178.244 176.300 0.040 0.000 0.989 824 D CA 1.543 55.610 54.000 0.112 0.000 0.827 824 D CB -0.165 40.718 40.800 0.138 0.000 0.966 824 D HN 0.297 nan 8.370 nan 0.000 0.456 825 I N 1.334 121.892 120.570 -0.020 0.000 2.208 825 I HA -0.253 3.918 4.170 0.001 0.000 0.245 825 I C 2.292 178.401 176.117 -0.013 0.000 1.097 825 I CA 1.169 62.421 61.300 -0.080 0.000 1.363 825 I CB -0.262 37.602 38.000 -0.226 0.000 1.051 825 I HN -0.005 nan 8.210 nan 0.000 0.413 826 E N -0.087 120.131 120.200 0.030 0.000 2.085 826 E HA -0.240 4.111 4.350 0.001 0.000 0.194 826 E C 2.194 178.808 176.600 0.023 0.000 0.994 826 E CA 1.208 57.624 56.400 0.028 0.000 0.801 826 E CB -0.199 29.498 29.700 -0.005 0.000 0.743 826 E HN 0.566 nan 8.360 nan 0.000 0.453 827 H N 0.278 119.391 119.070 0.071 0.000 2.353 827 H HA -0.080 4.477 4.556 0.001 0.000 0.300 827 H C 2.164 177.504 175.328 0.019 0.000 1.090 827 H CA 0.963 57.043 56.048 0.053 0.000 1.327 827 H CB -0.238 29.574 29.762 0.083 0.000 1.383 827 H HN 0.146 nan 8.280 nan 0.000 0.508 828 L N 0.467 121.769 121.223 0.131 0.000 2.492 828 L HA -0.039 4.302 4.340 0.001 0.000 0.223 828 L C 1.918 178.796 176.870 0.014 0.000 1.132 828 L CA 1.359 56.228 54.840 0.049 0.000 0.850 828 L CB 0.062 42.123 42.059 0.003 0.000 0.966 828 L HN 0.383 nan 8.230 nan 0.000 0.454 829 T N -6.179 108.385 114.554 0.017 0.000 2.975 829 T HA 0.218 4.569 4.350 0.001 0.000 0.261 829 T C 1.445 176.167 174.700 0.037 0.000 0.984 829 T CA 0.431 62.547 62.100 0.026 0.000 0.911 829 T CB 0.759 69.655 68.868 0.047 0.000 1.127 829 T HN 0.227 nan 8.240 nan 0.000 0.514 830 G N 1.900 110.721 108.800 0.034 0.000 2.203 830 G HA2 -0.223 3.737 3.960 0.001 0.000 0.263 830 G HA3 -0.223 3.737 3.960 0.001 0.000 0.263 830 G C -0.074 174.902 174.900 0.128 0.000 1.012 830 G CA 0.679 45.849 45.100 0.117 0.000 0.749 830 G HN 0.675 nan 8.290 nan 0.000 0.512 831 L N -0.667 120.533 121.223 -0.038 0.000 2.352 831 L HA 0.699 5.040 4.340 0.001 0.000 0.269 831 L C -0.099 176.509 176.870 -0.436 0.000 1.034 831 L CA -0.929 53.733 54.840 -0.297 0.000 0.806 831 L CB 1.616 43.342 42.059 -0.555 0.000 1.244 831 L HN 0.121 nan 8.230 nan 0.000 0.447 832 D N 0.400 120.500 120.400 -0.499 0.000 2.549 832 D HA 0.471 5.112 4.640 0.001 0.000 0.251 832 D C -1.031 175.029 176.300 -0.400 0.000 1.153 832 D CA -0.241 53.570 54.000 -0.314 0.000 0.861 832 D CB 0.960 41.705 40.800 -0.092 0.000 1.207 832 D HN 0.079 nan 8.370 nan 0.000 0.543 833 F N 2.291 122.211 119.950 -0.051 0.000 2.411 833 F HA 0.346 4.874 4.527 0.001 0.000 0.324 833 F C 0.245 176.026 175.800 -0.032 0.000 1.086 833 F CA -0.683 57.207 58.000 -0.183 0.000 1.028 833 F CB 0.603 39.368 39.000 -0.390 0.000 1.284 833 F HN 0.301 nan 8.300 nan 0.000 0.501 834 Y N -0.527 119.922 120.300 0.249 0.000 3.234 834 Y HA -0.234 4.318 4.550 0.002 0.000 0.207 834 Y C 1.167 177.146 175.900 0.133 0.000 1.316 834 Y CA -0.184 58.013 58.100 0.163 0.000 1.309 834 Y CB -1.940 36.562 38.460 0.069 0.000 1.408 834 Y HN 0.463 nan 8.280 nan 0.000 0.544 835 R N 0.074 120.687 120.500 0.188 0.000 2.276 835 R HA 0.096 4.437 4.340 0.001 0.000 0.196 835 R C 0.252 176.608 176.300 0.093 0.000 0.961 835 R CA 0.525 56.684 56.100 0.099 0.000 1.024 835 R CB 0.259 30.576 30.300 0.028 0.000 0.940 835 R HN -0.000 nan 8.270 nan 0.000 0.480 836 K N 1.570 122.058 120.400 0.147 0.000 2.562 836 K HA 0.180 4.501 4.320 0.001 0.000 0.206 836 K C -0.461 176.250 176.600 0.184 0.000 1.033 836 K CA -0.091 56.273 56.287 0.130 0.000 1.029 836 K CB 1.494 34.057 32.500 0.105 0.000 1.393 836 K HN 0.070 nan 8.250 nan 0.000 0.539 837 T N -3.046 111.606 114.554 0.164 0.000 2.864 837 T HA 0.295 4.646 4.350 0.001 0.000 0.289 837 T C 0.912 175.674 174.700 0.104 0.000 1.082 837 T CA -0.616 61.588 62.100 0.173 0.000 1.009 837 T CB 1.423 70.393 68.868 0.169 0.000 1.234 837 T HN 0.138 nan 8.240 nan 0.000 0.526 838 S N -0.547 115.206 115.700 0.087 0.000 2.605 838 S HA 0.264 4.735 4.470 0.001 0.000 0.217 838 S C 0.580 175.202 174.600 0.037 0.000 0.958 838 S CA -0.755 57.478 58.200 0.054 0.000 0.919 838 S CB -0.309 62.918 63.200 0.046 0.000 0.780 838 S HN 0.599 nan 8.310 nan 0.000 0.507 839 R N 2.342 122.865 120.500 0.038 0.000 2.607 839 R HA 0.532 4.873 4.340 0.001 0.000 0.261 839 R C 0.513 176.839 176.300 0.043 0.000 1.051 839 R CA -0.402 55.710 56.100 0.019 0.000 1.110 839 R CB 0.344 30.634 30.300 -0.015 0.000 1.158 839 R HN 0.427 nan 8.270 nan 0.000 0.543 840 S N -0.040 115.683 115.700 0.038 0.000 2.593 840 S HA -0.009 4.462 4.470 0.001 0.000 0.269 840 S C 0.986 175.668 174.600 0.138 0.000 1.334 840 S CA -0.438 57.804 58.200 0.071 0.000 1.015 840 S CB 0.342 63.570 63.200 0.047 0.000 0.912 840 S HN 0.585 nan 8.310 nan 0.000 0.541 841 Y N 2.199 122.501 120.300 0.003 0.000 2.224 841 Y HA -0.060 4.491 4.550 0.001 0.000 0.289 841 Y C 2.556 178.468 175.900 0.019 0.000 1.146 841 Y CA 1.514 59.623 58.100 0.015 0.000 1.182 841 Y CB -1.110 37.359 38.460 0.014 0.000 0.983 841 Y HN 0.764 nan 8.280 nan 0.000 0.524 842 S N 0.132 115.837 115.700 0.008 0.000 2.368 842 S HA -0.199 4.272 4.470 0.001 0.000 0.225 842 S C 1.828 176.398 174.600 -0.050 0.000 1.030 842 S CA 1.546 59.707 58.200 -0.065 0.000 0.999 842 S CB -0.248 62.952 63.200 -0.001 0.000 0.844 842 S HN 0.578 nan 8.310 nan 0.000 0.459 843 E N 0.641 120.822 120.200 -0.031 0.000 2.077 843 E HA -0.111 4.240 4.350 0.001 0.000 0.193 843 E C 1.874 178.416 176.600 -0.097 0.000 0.989 843 E CA 0.911 57.266 56.400 -0.074 0.000 0.800 843 E CB -0.172 29.486 29.700 -0.071 0.000 0.746 843 E HN 0.342 nan 8.360 nan 0.000 0.452 844 I N 1.100 121.639 120.570 -0.053 0.000 2.286 844 I HA -0.224 3.947 4.170 0.001 0.000 0.248 844 I C 2.324 178.400 176.117 -0.068 0.000 1.115 844 I CA 1.215 62.476 61.300 -0.065 0.000 1.392 844 I CB -0.930 37.131 38.000 0.101 0.000 1.065 844 I HN 0.175 nan 8.210 nan 0.000 0.418 845 L N 0.007 121.166 121.223 -0.108 0.000 2.046 845 L HA -0.213 4.128 4.340 0.001 0.000 0.208 845 L C 2.520 179.362 176.870 -0.046 0.000 1.077 845 L CA 1.503 56.276 54.840 -0.112 0.000 0.747 845 L CB -1.039 40.887 42.059 -0.221 0.000 0.896 845 L HN 0.219 nan 8.230 nan 0.000 0.432 846 T N 0.425 114.952 114.554 -0.045 0.000 2.684 846 T HA -0.239 4.112 4.350 0.001 0.000 0.267 846 T C 1.854 176.536 174.700 -0.030 0.000 1.036 846 T CA 1.559 63.650 62.100 -0.016 0.000 1.148 846 T CB -0.366 68.461 68.868 -0.070 0.000 0.863 846 T HN 0.143 nan 8.240 nan 0.000 0.436 847 L N 1.141 122.299 121.223 -0.109 0.000 2.042 847 L HA -0.068 4.273 4.340 0.001 0.000 0.210 847 L C 2.176 179.016 176.870 -0.051 0.000 1.076 847 L CA 1.828 56.572 54.840 -0.159 0.000 0.749 847 L CB -0.426 41.424 42.059 -0.348 0.000 0.893 847 L HN 0.105 nan 8.230 nan 0.000 0.432 848 K N -1.268 119.123 120.400 -0.015 0.000 2.288 848 K HA -0.058 4.263 4.320 0.001 0.000 0.201 848 K C 1.672 178.320 176.600 0.080 0.000 1.048 848 K CA 1.454 57.785 56.287 0.073 0.000 0.956 848 K CB -0.216 32.353 32.500 0.115 0.000 0.746 848 K HN 0.607 nan 8.250 nan 0.000 0.461 849 T N -2.251 112.350 114.554 0.078 0.000 3.100 849 T HA -0.043 4.308 4.350 0.001 0.000 0.253 849 T C 0.508 175.277 174.700 0.116 0.000 1.118 849 T CA -0.365 61.791 62.100 0.094 0.000 1.058 849 T CB -0.349 68.573 68.868 0.089 0.000 0.953 849 T HN 0.088 nan 8.240 nan 0.000 0.515 850 Y N 1.797 122.094 120.300 -0.005 0.000 2.597 850 Y HA 0.433 4.984 4.550 0.001 0.000 0.336 850 Y C -0.354 175.545 175.900 -0.002 0.000 1.216 850 Y CA -1.543 56.546 58.100 -0.018 0.000 1.463 850 Y CB 0.381 38.798 38.460 -0.073 0.000 1.303 850 Y HN 0.197 nan 8.280 nan 0.000 0.576 851 L N 6.941 127.701 121.223 -0.771 0.000 2.376 851 L HA 0.331 4.672 4.340 0.001 0.000 0.275 851 L C -1.218 175.087 176.870 -0.941 0.000 0.987 851 L CA -0.519 53.962 54.840 -0.598 0.000 0.828 851 L CB 1.059 42.976 42.059 -0.236 0.000 1.249 851 L HN 0.795 nan 8.230 nan 0.000 0.409 852 H N 2.782 121.404 119.070 -0.746 0.000 2.944 852 H HA 0.153 4.710 4.556 0.002 0.000 0.278 852 H C 0.620 175.673 175.328 -0.458 0.000 1.083 852 H CA 0.438 56.143 56.048 -0.571 0.000 1.479 852 H CB 0.998 30.522 29.762 -0.397 0.000 1.486 852 H HN 0.877 nan 8.280 nan 0.000 0.493 853 T N 1.232 115.699 114.554 -0.145 0.000 3.051 853 T HA -0.084 4.267 4.350 0.001 0.000 0.255 853 T C 0.452 175.194 174.700 0.069 0.000 1.085 853 T CA 0.157 62.241 62.100 -0.027 0.000 1.109 853 T CB -0.076 68.809 68.868 0.028 0.000 0.921 853 T HN 0.785 nan 8.240 nan 0.000 0.488 854 Y N 1.088 121.387 120.300 -0.002 0.000 4.272 854 Y HA -0.175 4.377 4.550 0.002 0.000 0.232 854 Y C 0.558 176.471 175.900 0.022 0.000 1.149 854 Y CA 0.175 58.254 58.100 -0.034 0.000 1.961 854 Y CB -2.542 35.868 38.460 -0.083 0.000 1.611 854 Y HN 0.363 nan 8.280 nan 0.000 0.682 855 E N 0.000 120.270 120.200 0.117 0.000 2.725 855 E HA 0.000 4.351 4.350 0.001 0.000 0.291 855 E CA 0.000 56.449 56.400 0.082 0.000 0.976 855 E CB 0.000 29.722 29.700 0.037 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440