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 2gpa_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIX VRGLAGVENV TELKKNFNRH LHFTLVKDRN VATPRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YEKDPKRIYY LSLEFYMGRT LQNTMVNLAL DATA SEQUENCE ENACDEATYQ LGLDMEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEFG IFNQKICGGW QMEEADDWLR YGNPWEKARP EFTLPVHFYG DATA SEQUENCE RVEHTSQGAK WVDTQVVLAM PYDTPVPGYR NNVVNTMRLW SAKAPNXXXX DATA SEQUENCE XXXXXXGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSX XXXXXXXXXX NFDAFPDKVA IQLNDTHPSL AIPELMRVLV DATA SEQUENCE DLERLDWDKA WEVTVKTCAY TNHTVLPEAL ERWPVHLLET LLPRHLQIIY DATA SEQUENCE EINQRFLNRV AAAFPGDVDR LRRMSLVEEG AVKRINMAHL CIAGSHAVNG DATA SEQUENCE VARIHSEILK KTIFKDFYEL EPHKFQNKTN GITPRRWLVL CNPGLAEIIA DATA SEQUENCE ERIGEEYISD LDQLRKLLSY VDDEAFIRDV AKVKQENKLK FAAYLEREYK DATA SEQUENCE VHINPNSLFD VQVKRIHEYK RQLLNCLHVI TLYNRIKKEP NKFVVPRTVM DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT AIGDVVNHDP VVGDRLRVIF LENYRVSLAE DATA SEQUENCE KVIPAADLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENFFIFGMR VEDVDRLDQR GYNAQEYYDR IPELRQIIEQ LSSGFFSPKQ DATA SEQUENCE PDLFKDIVNM LMHHDRFKVF ADYEEYVKCQ ERVSALYKNP REWTRMVIRN DATA SEQUENCE IATSGKFSSD RTIAQYAREI WGVEPSRQRL PAPD 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.597 174.600 -0.005 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 5 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 6 D N 0.415 120.811 120.400 -0.006 0.000 4.056 6 D HA -0.253 4.377 4.640 -0.017 0.000 0.169 6 D C 1.228 177.523 176.300 -0.007 0.000 0.744 6 D CA 2.265 56.261 54.000 -0.007 0.000 1.006 6 D CB -0.674 40.123 40.800 -0.006 0.000 0.448 6 D HN 0.423 nan 8.370 nan 0.000 0.412 7 Q N -0.314 119.482 119.800 -0.007 0.000 2.248 7 Q HA -0.151 4.179 4.340 -0.017 0.000 0.208 7 Q C 1.885 177.880 176.000 -0.007 0.000 0.984 7 Q CA 1.377 57.176 55.803 -0.008 0.000 0.875 7 Q CB -0.277 28.457 28.738 -0.007 0.000 0.910 7 Q HN 0.519 nan 8.270 nan 0.000 0.433 8 E N 0.877 121.073 120.200 -0.006 0.000 2.204 8 E HA -0.119 4.221 4.350 -0.017 0.000 0.195 8 E C 1.711 178.307 176.600 -0.007 0.000 0.990 8 E CA 0.721 57.117 56.400 -0.005 0.000 0.821 8 E CB 0.024 29.721 29.700 -0.004 0.000 0.750 8 E HN 0.371 nan 8.360 nan 0.000 0.477 9 K N 0.307 120.702 120.400 -0.008 0.000 2.147 9 K HA -0.043 4.267 4.320 -0.017 0.000 0.205 9 K C 1.896 178.489 176.600 -0.011 0.000 1.049 9 K CA 0.694 56.975 56.287 -0.009 0.000 0.936 9 K CB 0.054 32.548 32.500 -0.010 0.000 0.722 9 K HN 0.008 nan 8.250 nan 0.000 0.446 10 R N 0.891 121.384 120.500 -0.011 0.000 2.285 10 R HA -0.060 4.270 4.340 -0.017 0.000 0.213 10 R C 1.444 177.736 176.300 -0.013 0.000 1.068 10 R CA 0.654 56.746 56.100 -0.014 0.000 1.004 10 R CB -0.152 30.139 30.300 -0.015 0.000 0.873 10 R HN 0.211 nan 8.270 nan 0.000 0.467 11 K N 1.130 121.524 120.400 -0.010 0.000 2.360 11 K HA -0.148 4.162 4.320 -0.017 0.000 0.201 11 K C 1.782 178.377 176.600 -0.009 0.000 1.046 11 K CA 1.000 57.282 56.287 -0.008 0.000 0.945 11 K CB 0.032 32.529 32.500 -0.005 0.000 0.750 11 K HN 0.336 nan 8.250 nan 0.000 0.464 12 Q N 0.360 120.153 119.800 -0.011 0.000 2.297 12 Q HA 0.016 4.346 4.340 -0.017 0.000 0.204 12 Q C 0.906 176.897 176.000 -0.015 0.000 0.962 12 Q CA 0.525 56.321 55.803 -0.012 0.000 0.879 12 Q CB 0.071 28.800 28.738 -0.014 0.000 0.947 12 Q HN 0.291 nan 8.270 nan 0.000 0.462 16 R N 2.150 122.647 120.500 -0.004 0.000 2.327 16 R HA -0.187 4.143 4.340 -0.017 0.000 0.206 16 R C 1.137 177.437 176.300 -0.001 0.000 1.056 16 R CA 2.540 58.639 56.100 -0.002 0.000 0.564 16 R CB -1.912 28.385 30.300 -0.004 0.000 0.839 16 R HN 1.478 nan 8.270 nan 0.000 0.299 17 G N 1.217 110.014 108.800 -0.004 0.000 2.513 17 G HA2 0.598 4.548 3.960 -0.017 0.000 0.317 17 G HA3 0.598 4.548 3.960 -0.017 0.000 0.317 17 G C -0.700 174.194 174.900 -0.010 0.000 1.277 17 G CA -0.573 44.525 45.100 -0.003 0.000 0.955 17 G HN 0.357 nan 8.290 nan 0.000 0.484 18 L N 1.175 122.392 121.223 -0.011 0.000 2.305 18 L HA 0.875 5.205 4.340 -0.017 0.000 0.261 18 L C 1.412 178.256 176.870 -0.044 0.000 1.100 18 L CA -0.402 54.416 54.840 -0.036 0.000 1.073 18 L CB 0.619 42.645 42.059 -0.054 0.000 1.656 18 L HN 0.695 nan 8.230 nan 0.000 0.536 19 A N -0.291 122.466 122.820 -0.105 0.000 2.310 19 A HA 0.435 4.745 4.320 -0.017 0.000 0.206 19 A C 1.018 178.619 177.584 0.028 0.000 1.253 19 A CA 1.043 53.030 52.037 -0.082 0.000 0.768 19 A CB -1.915 16.977 19.000 -0.180 0.000 0.755 19 A HN 1.926 nan 8.150 nan 0.000 0.505 20 G N -3.158 105.682 108.800 0.066 0.000 2.362 20 G HA2 0.191 4.141 3.960 -0.017 0.000 0.656 20 G HA3 0.191 4.141 3.960 -0.017 0.000 0.656 20 G C 0.334 175.336 174.900 0.170 0.000 1.376 20 G CA 0.034 45.216 45.100 0.137 0.000 0.971 20 G HN 1.283 nan 8.290 nan 0.000 0.636 21 V N -2.380 117.596 119.914 0.104 0.000 3.241 21 V HA 0.272 4.382 4.120 -0.017 0.000 0.269 21 V C 0.954 177.081 176.094 0.054 0.000 1.151 21 V CA 1.998 64.339 62.300 0.069 0.000 1.158 21 V CB -1.045 30.801 31.823 0.038 0.000 0.764 21 V HN 1.393 nan 8.190 nan 0.000 0.508 22 E N -0.061 120.178 120.200 0.065 0.000 2.312 22 E HA -0.144 4.196 4.350 -0.017 0.000 0.283 22 E C -0.388 176.190 176.600 -0.037 0.000 1.066 22 E CA 0.589 56.958 56.400 -0.051 0.000 0.817 22 E CB -2.199 27.440 29.700 -0.101 0.000 1.304 22 E HN 0.915 nan 8.360 nan 0.000 0.407 23 N N -1.361 117.341 118.700 0.004 0.000 2.610 23 N HA 0.355 5.085 4.740 -0.017 0.000 0.264 23 N C 1.221 176.744 175.510 0.023 0.000 1.348 23 N CA -0.476 52.577 53.050 0.004 0.000 0.819 23 N CB 2.109 40.600 38.487 0.008 0.000 1.521 23 N HN -0.089 nan 8.380 nan 0.000 0.497 24 V N 0.358 120.281 119.914 0.016 0.000 2.250 24 V HA -0.324 3.786 4.120 -0.017 0.000 0.253 24 V C 1.956 178.071 176.094 0.035 0.000 1.065 24 V CA 2.229 64.542 62.300 0.022 0.000 1.039 24 V CB -0.914 30.919 31.823 0.017 0.000 0.647 24 V HN 0.801 nan 8.190 nan 0.000 0.446 25 T N -0.605 113.970 114.554 0.035 0.000 2.684 25 T HA -0.187 4.153 4.350 -0.017 0.000 0.267 25 T C 1.873 176.608 174.700 0.059 0.000 1.036 25 T CA 1.638 63.762 62.100 0.040 0.000 1.148 25 T CB -0.292 68.596 68.868 0.033 0.000 0.863 25 T HN 0.500 nan 8.240 nan 0.000 0.436 26 E N 0.672 120.913 120.200 0.069 0.000 2.152 26 E HA 0.020 4.360 4.350 -0.017 0.000 0.192 26 E C 2.214 178.894 176.600 0.134 0.000 0.983 26 E CA 0.389 56.844 56.400 0.093 0.000 0.818 26 E CB -0.376 29.383 29.700 0.097 0.000 0.758 26 E HN 0.275 nan 8.360 nan 0.000 0.467 27 L N 1.484 122.788 121.223 0.136 0.000 2.017 27 L HA -0.156 4.174 4.340 -0.017 0.000 0.208 27 L C 2.098 179.080 176.870 0.186 0.000 1.073 27 L CA 1.698 56.642 54.840 0.174 0.000 0.745 27 L CB -0.715 41.409 42.059 0.109 0.000 0.894 27 L HN 0.032 nan 8.230 nan 0.000 0.432 28 K N -0.843 119.628 120.400 0.119 0.000 2.057 28 K HA -0.226 4.084 4.320 -0.017 0.000 0.207 28 K C 2.159 178.872 176.600 0.188 0.000 1.049 28 K CA 1.327 57.681 56.287 0.112 0.000 0.931 28 K CB -0.076 32.450 32.500 0.043 0.000 0.714 28 K HN 0.024 nan 8.250 nan 0.000 0.440 29 K N 1.087 121.575 120.400 0.147 0.000 2.026 29 K HA -0.076 4.234 4.320 -0.017 0.000 0.208 29 K C 1.722 178.419 176.600 0.161 0.000 1.048 29 K CA 1.411 57.778 56.287 0.133 0.000 0.929 29 K CB -0.030 32.520 32.500 0.085 0.000 0.713 29 K HN 0.140 nan 8.250 nan 0.000 0.439 30 N N -0.597 118.212 118.700 0.182 0.000 2.270 30 N HA -0.141 4.589 4.740 -0.017 0.000 0.181 30 N C 1.669 177.361 175.510 0.304 0.000 1.016 30 N CA 0.931 54.093 53.050 0.187 0.000 0.870 30 N CB -0.139 38.479 38.487 0.218 0.000 0.979 30 N HN 0.137 nan 8.380 nan 0.000 0.431 31 F N 2.573 122.642 119.950 0.197 0.000 2.102 31 F HA -0.149 4.368 4.527 -0.017 0.000 0.298 31 F C 2.226 178.148 175.800 0.204 0.000 1.105 31 F CA 1.334 59.458 58.000 0.207 0.000 1.239 31 F CB -0.438 38.645 39.000 0.139 0.000 0.991 31 F HN -0.051 nan 8.300 nan 0.000 0.474 32 N N 0.557 119.527 118.700 0.450 0.000 2.084 32 N HA -0.245 4.485 4.740 -0.017 0.000 0.190 32 N C 2.125 177.830 175.510 0.326 0.000 1.030 32 N CA 1.746 55.028 53.050 0.388 0.000 0.849 32 N CB -0.401 38.293 38.487 0.345 0.000 1.012 32 N HN 0.388 nan 8.380 nan 0.000 0.423 33 R N -0.643 119.989 120.500 0.219 0.000 2.080 33 R HA -0.177 4.153 4.340 -0.017 0.000 0.236 33 R C 1.953 178.329 176.300 0.126 0.000 1.137 33 R CA 1.647 57.848 56.100 0.168 0.000 0.943 33 R CB -0.514 29.743 30.300 -0.072 0.000 0.846 33 R HN 0.460 nan 8.270 nan 0.000 0.431 34 H N 0.201 119.300 119.070 0.048 0.000 2.387 34 H HA -0.131 4.415 4.556 -0.017 0.000 0.299 34 H C 2.116 177.341 175.328 -0.172 0.000 1.090 34 H CA 1.599 57.600 56.048 -0.079 0.000 1.332 34 H CB -0.120 29.561 29.762 -0.134 0.000 1.386 34 H HN 0.242 nan 8.280 nan 0.000 0.516 35 L N 0.447 121.593 121.223 -0.128 0.000 2.083 35 L HA -0.180 4.150 4.340 -0.017 0.000 0.209 35 L C 2.332 179.008 176.870 -0.324 0.000 1.083 35 L CA 1.624 56.289 54.840 -0.291 0.000 0.752 35 L CB -0.274 41.567 42.059 -0.363 0.000 0.899 35 L HN 0.274 nan 8.230 nan 0.000 0.433 36 H N -1.961 117.067 119.070 -0.069 0.000 2.361 36 H HA 0.047 4.593 4.556 -0.017 0.000 0.308 36 H C 2.075 177.196 175.328 -0.345 0.000 1.053 36 H CA 1.733 57.651 56.048 -0.216 0.000 1.377 36 H CB -0.333 29.266 29.762 -0.272 0.000 1.434 36 H HN 0.321 nan 8.280 nan 0.000 0.548 37 F N 0.860 120.831 119.950 0.035 0.000 2.367 37 F HA -0.047 4.470 4.527 -0.017 0.000 0.298 37 F C 2.468 178.215 175.800 -0.087 0.000 1.094 37 F CA 0.924 58.900 58.000 -0.038 0.000 1.409 37 F CB -0.096 38.865 39.000 -0.064 0.000 1.064 37 F HN 0.043 nan 8.300 nan 0.000 0.528 38 T N -0.117 114.452 114.554 0.025 0.000 2.953 38 T HA 0.087 4.427 4.350 -0.017 0.000 0.247 38 T C 1.929 176.521 174.700 -0.180 0.000 1.029 38 T CA 0.772 62.815 62.100 -0.095 0.000 1.144 38 T CB -0.233 68.549 68.868 -0.143 0.000 0.870 38 T HN 0.104 nan 8.240 nan 0.000 0.446 39 L N 1.309 122.418 121.223 -0.191 0.000 2.509 39 L HA 0.199 4.529 4.340 -0.017 0.000 0.222 39 L C 0.389 177.158 176.870 -0.168 0.000 1.123 39 L CA -0.076 54.643 54.840 -0.202 0.000 0.856 39 L CB -0.206 41.731 42.059 -0.204 0.000 0.985 39 L HN -0.014 nan 8.230 nan 0.000 0.456 40 V N 0.531 120.349 119.914 -0.160 0.000 5.949 40 V HA -0.275 3.835 4.120 -0.017 0.000 0.287 40 V C 0.082 176.090 176.094 -0.143 0.000 0.603 40 V CA 1.146 63.355 62.300 -0.151 0.000 0.608 40 V CB -2.126 29.624 31.823 -0.122 0.000 0.259 40 V HN 0.427 nan 8.190 nan 0.000 0.742 41 K N 0.965 121.259 120.400 -0.177 0.000 2.372 41 K HA 0.851 5.161 4.320 -0.017 0.000 0.251 41 K C -0.483 176.000 176.600 -0.195 0.000 1.055 41 K CA -0.265 55.915 56.287 -0.179 0.000 0.879 41 K CB 2.545 34.909 32.500 -0.226 0.000 1.384 41 K HN 0.545 nan 8.250 nan 0.000 0.465 42 D N -2.219 118.091 120.400 -0.150 0.000 2.596 42 D HA 0.180 4.810 4.640 -0.017 0.000 0.262 42 D C 0.507 176.786 176.300 -0.036 0.000 1.210 42 D CA -0.769 53.201 54.000 -0.049 0.000 0.873 42 D CB 0.771 41.632 40.800 0.101 0.000 1.408 42 D HN 0.455 nan 8.370 nan 0.000 0.441 43 R N 0.157 120.711 120.500 0.090 0.000 2.241 43 R HA -0.037 4.293 4.340 -0.017 0.000 0.224 43 R C 0.321 176.680 176.300 0.098 0.000 1.101 43 R CA 0.848 57.038 56.100 0.150 0.000 0.995 43 R CB -0.568 29.857 30.300 0.209 0.000 0.870 43 R HN 0.286 nan 8.270 nan 0.000 0.463 44 N N 1.139 119.874 118.700 0.057 0.000 2.300 44 N HA -0.080 4.650 4.740 -0.017 0.000 0.179 44 N C 1.745 177.261 175.510 0.010 0.000 1.016 44 N CA 1.677 54.750 53.050 0.038 0.000 0.876 44 N CB 0.391 38.897 38.487 0.031 0.000 0.979 44 N HN 0.379 nan 8.380 nan 0.000 0.432 45 V N -2.472 117.429 119.914 -0.023 0.000 3.605 45 V HA 0.507 4.617 4.120 -0.017 0.000 0.284 45 V C 0.856 176.889 176.094 -0.101 0.000 1.386 45 V CA -0.434 61.838 62.300 -0.046 0.000 1.053 45 V CB -0.371 31.425 31.823 -0.046 0.000 0.857 45 V HN 0.051 nan 8.190 nan 0.000 0.436 46 A N 2.359 125.074 122.820 -0.175 0.000 2.511 46 A HA 0.528 4.838 4.320 -0.017 0.000 0.242 46 A C 0.765 178.149 177.584 -0.334 0.000 1.069 46 A CA 0.870 52.675 52.037 -0.386 0.000 0.763 46 A CB -0.298 18.229 19.000 -0.789 0.000 1.001 46 A HN 0.878 nan 8.150 nan 0.000 0.498 47 T N 0.265 114.651 114.554 -0.281 0.000 2.948 47 T HA 0.591 4.931 4.350 -0.017 0.000 0.285 47 T C -2.144 172.514 174.700 -0.069 0.000 1.019 47 T CA -1.780 60.253 62.100 -0.112 0.000 1.013 47 T CB 1.296 70.135 68.868 -0.047 0.000 1.117 47 T HN 0.248 nan 8.240 nan 0.000 0.533 48 P HA -0.078 nan 4.420 nan 0.000 0.216 48 P C 1.621 179.015 177.300 0.158 0.000 1.150 48 P CA 0.877 64.093 63.100 0.192 0.000 0.843 48 P CB 0.061 31.839 31.700 0.130 0.000 0.787 49 R N -0.016 120.525 120.500 0.068 0.000 2.081 49 R HA -0.148 4.182 4.340 -0.017 0.000 0.235 49 R C 1.617 178.052 176.300 0.224 0.000 1.131 49 R CA 1.752 57.905 56.100 0.089 0.000 0.960 49 R CB -0.643 29.652 30.300 -0.009 0.000 0.856 49 R HN 0.101 nan 8.270 nan 0.000 0.436 50 D N -0.346 120.109 120.400 0.092 0.000 2.117 50 D HA -0.188 4.442 4.640 -0.017 0.000 0.197 50 D C 1.743 178.073 176.300 0.050 0.000 0.987 50 D CA 1.319 55.339 54.000 0.032 0.000 0.829 50 D CB -0.338 40.326 40.800 -0.228 0.000 0.961 50 D HN 0.289 nan 8.370 nan 0.000 0.460 51 Y N -0.072 120.312 120.300 0.141 0.000 2.293 51 Y HA -0.177 4.363 4.550 -0.017 0.000 0.291 51 Y C 2.263 178.281 175.900 0.197 0.000 1.137 51 Y CA 0.242 58.465 58.100 0.205 0.000 1.202 51 Y CB -1.007 37.631 38.460 0.297 0.000 0.990 51 Y HN 0.113 nan 8.280 nan 0.000 0.537 52 Y N -0.708 119.708 120.300 0.193 0.000 2.145 52 Y HA -0.262 4.277 4.550 -0.017 0.000 0.286 52 Y C 1.911 177.781 175.900 -0.050 0.000 1.145 52 Y CA 1.281 59.400 58.100 0.032 0.000 1.148 52 Y CB -1.067 37.302 38.460 -0.151 0.000 0.981 52 Y HN -0.004 nan 8.280 nan 0.000 0.507 53 F N 0.601 120.388 119.950 -0.273 0.000 2.171 53 F HA -0.139 4.378 4.527 -0.016 0.000 0.300 53 F C 2.662 178.302 175.800 -0.267 0.000 1.090 53 F CA 1.466 59.241 58.000 -0.374 0.000 1.293 53 F CB -1.135 37.813 39.000 -0.087 0.000 1.013 53 F HN 0.222 nan 8.300 nan 0.000 0.486 54 A N -0.457 122.305 122.820 -0.096 0.000 1.933 54 A HA -0.148 4.162 4.320 -0.017 0.000 0.218 54 A C 2.098 179.517 177.584 -0.276 0.000 1.175 54 A CA 1.479 53.298 52.037 -0.363 0.000 0.628 54 A CB -0.966 17.466 19.000 -0.947 0.000 0.814 54 A HN 0.346 nan 8.150 nan 0.000 0.444 55 L N -0.418 120.799 121.223 -0.010 0.000 2.109 55 L HA 0.068 4.398 4.340 -0.017 0.000 0.207 55 L C 2.606 179.458 176.870 -0.031 0.000 1.086 55 L CA 1.986 56.954 54.840 0.212 0.000 0.760 55 L CB -0.841 41.392 42.059 0.290 0.000 0.910 55 L HN 0.313 nan 8.230 nan 0.000 0.437 56 A N -1.320 121.310 122.820 -0.317 0.000 1.902 56 A HA -0.242 4.068 4.320 -0.017 0.000 0.217 56 A C 2.247 179.503 177.584 -0.548 0.000 1.181 56 A CA 1.741 53.489 52.037 -0.481 0.000 0.623 56 A CB -0.994 17.428 19.000 -0.963 0.000 0.818 56 A HN 0.660 nan 8.150 nan 0.000 0.443 57 H N -0.645 118.117 119.070 -0.514 0.000 2.423 57 H HA -0.073 4.473 4.556 -0.017 0.000 0.297 57 H C 2.244 177.210 175.328 -0.603 0.000 1.075 57 H CA 1.803 57.446 56.048 -0.674 0.000 1.342 57 H CB -0.270 28.910 29.762 -0.970 0.000 1.395 57 H HN 0.473 nan 8.280 nan 0.000 0.530 58 T N 0.470 114.890 114.554 -0.223 0.000 2.737 58 T HA -0.085 4.255 4.350 -0.017 0.000 0.265 58 T C 2.393 177.220 174.700 0.212 0.000 1.038 58 T CA 1.108 63.277 62.100 0.115 0.000 1.144 58 T CB -0.341 68.691 68.868 0.273 0.000 0.866 58 T HN 0.079 nan 8.240 nan 0.000 0.434 59 V N 1.523 121.547 119.914 0.184 0.000 2.427 59 V HA -0.105 4.005 4.120 -0.017 0.000 0.248 59 V C 2.589 178.855 176.094 0.286 0.000 1.051 59 V CA 1.528 63.991 62.300 0.272 0.000 1.048 59 V CB -0.612 31.363 31.823 0.255 0.000 0.666 59 V HN 0.372 nan 8.190 nan 0.000 0.456 60 R N 0.205 120.817 120.500 0.188 0.000 2.105 60 R HA -0.213 4.117 4.340 -0.017 0.000 0.239 60 R C 1.937 178.332 176.300 0.159 0.000 1.135 60 R CA 2.034 58.251 56.100 0.194 0.000 0.967 60 R CB -0.363 29.890 30.300 -0.079 0.000 0.861 60 R HN 0.485 nan 8.270 nan 0.000 0.442 61 D N -0.103 120.363 120.400 0.109 0.000 2.104 61 D HA -0.182 4.448 4.640 -0.017 0.000 0.194 61 D C 1.858 178.148 176.300 -0.016 0.000 0.994 61 D CA 1.264 55.290 54.000 0.044 0.000 0.830 61 D CB -0.452 40.340 40.800 -0.014 0.000 0.959 61 D HN 0.458 nan 8.370 nan 0.000 0.452 62 H N -0.224 118.911 119.070 0.108 0.000 2.387 62 H HA -0.072 4.474 4.556 -0.016 0.000 0.299 62 H C 2.220 177.593 175.328 0.075 0.000 1.090 62 H CA 0.541 56.637 56.048 0.079 0.000 1.332 62 H CB -0.129 29.670 29.762 0.061 0.000 1.386 62 H HN 0.116 nan 8.280 nan 0.000 0.516 63 L N 0.616 121.957 121.223 0.196 0.000 2.056 63 L HA -0.093 4.237 4.340 -0.017 0.000 0.207 63 L C 2.377 179.345 176.870 0.163 0.000 1.078 63 L CA 1.009 55.922 54.840 0.121 0.000 0.749 63 L CB -0.575 41.542 42.059 0.096 0.000 0.901 63 L HN -0.073 nan 8.230 nan 0.000 0.433 64 V N 0.035 120.082 119.914 0.222 0.000 2.427 64 V HA -0.179 3.931 4.120 -0.017 0.000 0.248 64 V C 2.588 178.823 176.094 0.235 0.000 1.051 64 V CA 1.653 64.152 62.300 0.332 0.000 1.048 64 V CB -1.483 30.508 31.823 0.280 0.000 0.666 64 V HN 0.629 nan 8.190 nan 0.000 0.456 65 G N -0.191 108.690 108.800 0.135 0.000 2.422 65 G HA2 -0.236 3.714 3.960 -0.017 0.000 0.218 65 G HA3 -0.236 3.714 3.960 -0.017 0.000 0.218 65 G C 1.775 176.732 174.900 0.095 0.000 1.146 65 G CA 0.650 45.801 45.100 0.085 0.000 0.769 65 G HN 0.442 nan 8.290 nan 0.000 0.547 66 R N -1.503 119.064 120.500 0.112 0.000 2.090 66 R HA -0.020 4.310 4.340 -0.017 0.000 0.228 66 R C 2.232 178.618 176.300 0.143 0.000 1.110 66 R CA 0.832 56.982 56.100 0.083 0.000 0.973 66 R CB -0.327 30.002 30.300 0.049 0.000 0.869 66 R HN 0.445 nan 8.270 nan 0.000 0.440 67 W N 1.649 122.936 121.300 -0.020 0.000 2.338 67 W HA -0.104 4.546 4.660 -0.016 0.000 0.304 67 W C 1.634 178.138 176.519 -0.026 0.000 1.212 67 W CA 1.031 58.363 57.345 -0.022 0.000 1.264 67 W CB -0.530 28.936 29.460 0.011 0.000 1.142 67 W HN -0.029 nan 8.180 nan 0.000 0.512 68 I N 0.320 120.971 120.570 0.135 0.000 2.252 68 I HA -0.301 3.859 4.170 -0.017 0.000 0.245 68 I C 2.625 178.741 176.117 -0.003 0.000 1.102 68 I CA 1.148 62.439 61.300 -0.014 0.000 1.385 68 I CB -0.531 37.461 38.000 -0.012 0.000 1.064 68 I HN -0.216 nan 8.210 nan 0.000 0.414 69 R N 0.226 120.737 120.500 0.018 0.000 2.092 69 R HA -0.074 4.256 4.340 -0.017 0.000 0.231 69 R C 2.256 178.534 176.300 -0.036 0.000 1.119 69 R CA 1.444 57.542 56.100 -0.002 0.000 0.970 69 R CB -1.182 29.113 30.300 -0.008 0.000 0.864 69 R HN 0.335 nan 8.270 nan 0.000 0.440 70 T N 1.586 116.097 114.554 -0.072 0.000 2.777 70 T HA -0.091 4.249 4.350 -0.017 0.000 0.266 70 T C 1.737 176.228 174.700 -0.349 0.000 1.040 70 T CA 0.979 62.928 62.100 -0.251 0.000 1.141 70 T CB 0.013 68.742 68.868 -0.233 0.000 0.868 70 T HN 0.155 nan 8.240 nan 0.000 0.444 71 Q N 1.117 120.845 119.800 -0.119 0.000 2.167 71 Q HA 0.009 4.339 4.340 -0.017 0.000 0.202 71 Q C 2.280 178.322 176.000 0.071 0.000 0.970 71 Q CA 1.129 56.933 55.803 0.003 0.000 0.855 71 Q CB -0.337 28.412 28.738 0.019 0.000 0.911 71 Q HN 0.630 nan 8.270 nan 0.000 0.438 72 Q N -0.590 119.235 119.800 0.042 0.000 2.119 72 Q HA -0.140 4.190 4.340 -0.017 0.000 0.201 72 Q C 2.106 178.200 176.000 0.156 0.000 0.972 72 Q CA 0.940 56.800 55.803 0.095 0.000 0.847 72 Q CB -0.145 28.627 28.738 0.057 0.000 0.903 72 Q HN 0.544 nan 8.270 nan 0.000 0.433 73 H N -0.446 118.619 119.070 -0.009 0.000 2.321 73 H HA -0.167 4.379 4.556 -0.017 0.000 0.300 73 H C 1.467 176.875 175.328 0.132 0.000 1.087 73 H CA 1.476 57.528 56.048 0.006 0.000 1.319 73 H CB 0.132 29.831 29.762 -0.106 0.000 1.379 73 H HN 0.260 nan 8.280 nan 0.000 0.501 74 Y N -0.045 120.290 120.300 0.059 0.000 2.207 74 Y HA -0.237 4.302 4.550 -0.017 0.000 0.287 74 Y C 2.659 178.565 175.900 0.011 0.000 1.156 74 Y CA 0.990 59.088 58.100 -0.003 0.000 1.182 74 Y CB -1.395 37.137 38.460 0.119 0.000 0.979 74 Y HN 0.343 nan 8.280 nan 0.000 0.521 75 Y N 1.173 121.553 120.300 0.133 0.000 2.181 75 Y HA -0.182 4.358 4.550 -0.017 0.000 0.288 75 Y C 2.150 178.057 175.900 0.011 0.000 1.146 75 Y CA 1.761 59.899 58.100 0.064 0.000 1.164 75 Y CB -0.086 38.402 38.460 0.047 0.000 0.982 75 Y HN -0.014 nan 8.280 nan 0.000 0.515 76 E N 0.324 120.512 120.200 -0.020 0.000 2.072 76 E HA -0.148 4.192 4.350 -0.017 0.000 0.191 76 E C 1.980 178.474 176.600 -0.177 0.000 0.985 76 E CA 1.094 57.423 56.400 -0.117 0.000 0.801 76 E CB -0.142 29.558 29.700 -0.000 0.000 0.750 76 E HN 0.410 nan 8.360 nan 0.000 0.452 77 K N 0.580 120.861 120.400 -0.198 0.000 2.228 77 K HA -0.071 4.239 4.320 -0.017 0.000 0.202 77 K C 0.162 176.678 176.600 -0.139 0.000 1.051 77 K CA 0.383 56.557 56.287 -0.187 0.000 0.960 77 K CB -0.213 32.110 32.500 -0.295 0.000 0.743 77 K HN 0.025 nan 8.250 nan 0.000 0.458 78 D N 0.823 121.142 120.400 -0.135 0.000 2.697 78 D HA -0.106 4.524 4.640 -0.017 0.000 0.238 78 D C -2.281 173.969 176.300 -0.084 0.000 1.152 78 D CA 0.143 54.074 54.000 -0.116 0.000 0.666 78 D CB -0.262 40.443 40.800 -0.157 0.000 1.037 78 D HN 0.192 nan 8.370 nan 0.000 0.423 79 P HA 0.075 nan 4.420 nan 0.000 0.274 79 P C -0.034 177.209 177.300 -0.096 0.000 1.256 79 P CA -0.482 62.562 63.100 -0.093 0.000 0.795 79 P CB 0.627 32.248 31.700 -0.131 0.000 1.038 80 K N 1.306 121.656 120.400 -0.084 0.000 2.401 80 K HA 0.086 4.396 4.320 -0.017 0.000 0.278 80 K C -0.036 176.469 176.600 -0.158 0.000 1.018 80 K CA -0.106 56.129 56.287 -0.086 0.000 0.981 80 K CB 0.345 32.812 32.500 -0.055 0.000 0.933 80 K HN 0.324 nan 8.250 nan 0.000 0.477 81 R N 3.916 124.304 120.500 -0.187 0.000 2.407 81 R HA 0.397 4.727 4.340 -0.017 0.000 0.303 81 R C -0.561 175.424 176.300 -0.526 0.000 0.981 81 R CA -0.715 55.187 56.100 -0.329 0.000 0.905 81 R CB 1.103 31.232 30.300 -0.284 0.000 1.099 81 R HN 0.539 nan 8.270 nan 0.000 0.459 82 I N 3.249 123.458 120.570 -0.601 0.000 2.339 82 I HA 0.242 4.402 4.170 -0.017 0.000 0.290 82 I C -0.942 174.838 176.117 -0.561 0.000 0.994 82 I CA -0.620 60.281 61.300 -0.666 0.000 1.191 82 I CB 0.847 38.328 38.000 -0.864 0.000 1.343 82 I HN 0.411 nan 8.210 nan 0.000 0.458 83 Y N 5.918 126.206 120.300 -0.021 0.000 2.334 83 Y HA 0.322 4.862 4.550 -0.016 0.000 0.336 83 Y C -0.611 175.417 175.900 0.214 0.000 0.960 83 Y CA -0.767 57.453 58.100 0.199 0.000 1.164 83 Y CB 0.922 39.481 38.460 0.165 0.000 1.155 83 Y HN 0.394 nan 8.280 nan 0.000 0.478 84 Y N 4.617 125.121 120.300 0.339 0.000 2.595 84 Y HA 0.492 5.032 4.550 -0.016 0.000 0.336 84 Y C -1.304 174.878 175.900 0.470 0.000 0.996 84 Y CA -1.106 57.198 58.100 0.339 0.000 1.260 84 Y CB 0.259 38.912 38.460 0.321 0.000 1.108 84 Y HN 0.516 nan 8.280 nan 0.000 0.509 85 L N 4.754 126.059 121.223 0.136 0.000 2.281 85 L HA 0.460 4.790 4.340 -0.017 0.000 0.285 85 L C -0.023 176.878 176.870 0.051 0.000 1.074 85 L CA 0.183 55.150 54.840 0.212 0.000 0.817 85 L CB 1.176 43.327 42.059 0.153 0.000 1.168 85 L HN 0.557 nan 8.230 nan 0.000 0.434 86 S N 2.788 118.601 115.700 0.189 0.000 2.541 86 S HA 0.477 4.937 4.470 -0.017 0.000 0.271 86 S C 0.242 174.960 174.600 0.196 0.000 1.133 86 S CA -0.635 57.581 58.200 0.025 0.000 0.876 86 S CB 1.044 64.011 63.200 -0.388 0.000 1.105 86 S HN 0.500 nan 8.310 nan 0.000 0.470 87 L N 2.583 123.955 121.223 0.248 0.000 2.591 87 L HA 0.401 4.731 4.340 -0.017 0.000 0.228 87 L C 0.106 177.197 176.870 0.369 0.000 1.133 87 L CA 1.069 56.114 54.840 0.343 0.000 0.880 87 L CB -0.870 41.389 42.059 0.334 0.000 1.033 87 L HN 0.718 nan 8.230 nan 0.000 0.450 88 E N -0.896 119.410 120.200 0.176 0.000 2.308 88 E HA 0.405 4.745 4.350 -0.017 0.000 0.275 88 E C -1.563 174.969 176.600 -0.113 0.000 0.890 88 E CA -0.454 56.028 56.400 0.138 0.000 0.754 88 E CB 2.207 31.963 29.700 0.093 0.000 1.207 88 E HN -0.172 nan 8.360 nan 0.000 0.426 89 F N 1.965 122.023 119.950 0.181 0.000 2.941 89 F HA 0.160 4.677 4.527 -0.017 0.000 0.359 89 F C -1.069 174.814 175.800 0.139 0.000 1.231 89 F CA -0.712 57.387 58.000 0.164 0.000 1.089 89 F CB 1.005 40.095 39.000 0.150 0.000 1.407 89 F HN 0.471 nan 8.300 nan 0.000 0.538 90 Y N 5.276 125.660 120.300 0.141 0.000 2.691 90 Y HA 0.241 4.781 4.550 -0.016 0.000 0.338 90 Y C 0.986 176.922 175.900 0.059 0.000 1.148 90 Y CA -1.014 57.121 58.100 0.057 0.000 1.430 90 Y CB 0.434 38.908 38.460 0.024 0.000 1.303 90 Y HN 0.530 nan 8.280 nan 0.000 0.499 91 M N 1.908 121.689 119.600 0.302 0.000 2.288 91 M HA 0.107 4.577 4.480 -0.017 0.000 0.266 91 M C 1.525 177.862 176.300 0.063 0.000 1.072 91 M CA 1.086 56.473 55.300 0.144 0.000 1.132 91 M CB -1.306 31.344 32.600 0.083 0.000 1.386 91 M HN 0.724 nan 8.290 nan 0.000 0.432 92 G N 1.157 110.028 108.800 0.119 0.000 2.598 92 G HA2 -0.272 3.678 3.960 -0.017 0.000 0.244 92 G HA3 -0.272 3.678 3.960 -0.017 0.000 0.244 92 G C -0.310 174.589 174.900 -0.002 0.000 1.302 92 G CA -0.372 44.741 45.100 0.021 0.000 0.903 92 G HN 0.444 nan 8.290 nan 0.000 0.575 93 R N -0.660 119.807 120.500 -0.056 0.000 2.539 93 R HA 0.538 4.868 4.340 -0.017 0.000 0.275 93 R C 1.152 177.372 176.300 -0.133 0.000 1.077 93 R CA 0.413 56.487 56.100 -0.044 0.000 1.097 93 R CB 0.691 30.961 30.300 -0.049 0.000 1.018 93 R HN 0.549 nan 8.270 nan 0.000 0.483 94 T N 1.477 115.931 114.554 -0.166 0.000 2.999 94 T HA -0.017 4.323 4.350 -0.017 0.000 0.247 94 T C 1.478 175.887 174.700 -0.485 0.000 1.012 94 T CA -0.156 61.652 62.100 -0.487 0.000 1.048 94 T CB 0.078 68.286 68.868 -1.100 0.000 1.020 94 T HN 0.318 nan 8.240 nan 0.000 0.478 95 L N 1.999 123.166 121.223 -0.092 0.000 1.956 95 L HA -0.113 4.217 4.340 -0.017 0.000 0.216 95 L C 2.478 179.337 176.870 -0.017 0.000 1.073 95 L CA 2.019 56.918 54.840 0.099 0.000 0.762 95 L CB -0.724 41.562 42.059 0.379 0.000 0.889 95 L HN 0.193 nan 8.230 nan 0.000 0.433 96 Q N -0.921 118.867 119.800 -0.021 0.000 2.084 96 Q HA -0.275 4.055 4.340 -0.017 0.000 0.202 96 Q C 2.145 178.088 176.000 -0.094 0.000 0.978 96 Q CA 1.985 57.761 55.803 -0.045 0.000 0.844 96 Q CB -0.202 28.505 28.738 -0.051 0.000 0.898 96 Q HN 0.669 nan 8.270 nan 0.000 0.426 97 N N -0.654 117.955 118.700 -0.152 0.000 2.104 97 N HA -0.147 4.583 4.740 -0.017 0.000 0.190 97 N C 1.511 176.926 175.510 -0.159 0.000 1.024 97 N CA 2.230 55.179 53.050 -0.168 0.000 0.853 97 N CB -0.231 38.123 38.487 -0.222 0.000 1.008 97 N HN 0.141 nan 8.380 nan 0.000 0.424 98 T N 0.333 114.755 114.554 -0.220 0.000 2.708 98 T HA -0.086 4.254 4.350 -0.017 0.000 0.266 98 T C 1.938 176.577 174.700 -0.101 0.000 1.037 98 T CA 1.343 63.322 62.100 -0.201 0.000 1.146 98 T CB -0.213 68.476 68.868 -0.299 0.000 0.865 98 T HN 0.252 nan 8.240 nan 0.000 0.435 99 M N 0.546 120.107 119.600 -0.065 0.000 2.108 99 M HA -0.113 4.357 4.480 -0.017 0.000 0.261 99 M C 2.452 178.723 176.300 -0.048 0.000 1.066 99 M CA 1.338 56.614 55.300 -0.039 0.000 1.107 99 M CB -0.595 31.998 32.600 -0.011 0.000 1.356 99 M HN 0.113 nan 8.290 nan 0.000 0.406 100 V N 0.719 120.611 119.914 -0.036 0.000 2.261 100 V HA -0.270 3.840 4.120 -0.017 0.000 0.246 100 V C 1.958 178.057 176.094 0.008 0.000 1.047 100 V CA 1.759 64.062 62.300 0.006 0.000 1.015 100 V CB -0.831 31.009 31.823 0.027 0.000 0.642 100 V HN 0.490 nan 8.190 nan 0.000 0.446 101 N N -0.171 118.525 118.700 -0.005 0.000 2.381 101 N HA -0.073 4.657 4.740 -0.017 0.000 0.182 101 N C 1.211 176.607 175.510 -0.190 0.000 1.025 101 N CA 0.984 54.002 53.050 -0.054 0.000 0.888 101 N CB 0.021 38.499 38.487 -0.014 0.000 0.965 101 N HN 0.301 nan 8.380 nan 0.000 0.438 102 L N 0.125 121.264 121.223 -0.140 0.000 2.640 102 L HA 0.333 4.663 4.340 -0.017 0.000 0.230 102 L C 0.745 177.526 176.870 -0.147 0.000 1.123 102 L CA -0.134 54.625 54.840 -0.136 0.000 0.900 102 L CB -0.510 41.499 42.059 -0.083 0.000 1.146 102 L HN 0.054 nan 8.230 nan 0.000 0.484 103 A N -0.448 122.282 122.820 -0.151 0.000 2.791 103 A HA -0.232 4.078 4.320 -0.017 0.000 0.292 103 A C 1.232 178.755 177.584 -0.102 0.000 1.487 103 A CA 1.165 53.126 52.037 -0.126 0.000 0.760 103 A CB -2.022 16.889 19.000 -0.148 0.000 1.031 103 A HN 0.342 nan 8.150 nan 0.000 0.503 104 L N -1.350 119.816 121.223 -0.095 0.000 2.590 104 L HA 0.110 4.440 4.340 -0.017 0.000 0.227 104 L C 2.055 178.889 176.870 -0.060 0.000 1.099 104 L CA 0.841 55.621 54.840 -0.101 0.000 0.872 104 L CB 0.004 41.988 42.059 -0.125 0.000 1.088 104 L HN 0.709 nan 8.230 nan 0.000 0.479 105 E N 1.188 121.363 120.200 -0.042 0.000 2.048 105 E HA -0.298 4.042 4.350 -0.017 0.000 0.202 105 E C 1.629 178.216 176.600 -0.022 0.000 1.021 105 E CA 2.179 58.565 56.400 -0.022 0.000 0.825 105 E CB -0.012 29.678 29.700 -0.016 0.000 0.756 105 E HN 0.529 nan 8.360 nan 0.000 0.454 106 N N -0.355 118.328 118.700 -0.028 0.000 2.043 106 N HA -0.214 4.516 4.740 -0.017 0.000 0.193 106 N C 1.915 177.409 175.510 -0.027 0.000 1.037 106 N CA 0.997 54.031 53.050 -0.028 0.000 0.851 106 N CB -0.220 38.249 38.487 -0.029 0.000 1.027 106 N HN 0.237 nan 8.380 nan 0.000 0.422 107 A N 0.461 123.262 122.820 -0.031 0.000 1.933 107 A HA -0.128 4.182 4.320 -0.017 0.000 0.218 107 A C 2.434 180.009 177.584 -0.015 0.000 1.175 107 A CA 0.985 53.006 52.037 -0.025 0.000 0.628 107 A CB -0.759 18.218 19.000 -0.038 0.000 0.814 107 A HN 0.474 nan 8.150 nan 0.000 0.444 108 C N -0.931 118.360 119.300 -0.015 0.000 2.450 108 C HA -0.041 4.409 4.460 -0.017 0.000 0.279 108 C C 2.416 177.404 174.990 -0.003 0.000 1.335 108 C CA 1.086 60.104 59.018 0.001 0.000 1.749 108 C CB -1.002 26.750 27.740 0.020 0.000 1.963 108 C HN 0.707 nan 8.230 nan 0.000 0.501 109 D N 0.773 121.172 120.400 -0.002 0.000 2.117 109 D HA -0.139 4.491 4.640 -0.017 0.000 0.198 109 D C 2.135 178.448 176.300 0.021 0.000 0.982 109 D CA 1.401 55.403 54.000 0.003 0.000 0.828 109 D CB -0.193 40.599 40.800 -0.013 0.000 0.967 109 D HN 0.462 nan 8.370 nan 0.000 0.464 110 E N 0.049 120.256 120.200 0.011 0.000 2.072 110 E HA -0.010 4.330 4.350 -0.017 0.000 0.190 110 E C 1.849 178.487 176.600 0.064 0.000 0.982 110 E CA 1.402 57.831 56.400 0.048 0.000 0.803 110 E CB -0.484 29.226 29.700 0.016 0.000 0.755 110 E HN 0.213 nan 8.360 nan 0.000 0.453 111 A N -0.015 122.807 122.820 0.003 0.000 1.877 111 A HA -0.195 4.115 4.320 -0.017 0.000 0.216 111 A C 2.479 179.982 177.584 -0.134 0.000 1.186 111 A CA 2.669 54.678 52.037 -0.045 0.000 0.620 111 A CB -1.428 17.547 19.000 -0.042 0.000 0.822 111 A HN 0.508 nan 8.150 nan 0.000 0.443 112 T N -3.337 111.129 114.554 -0.147 0.000 2.777 112 T HA -0.237 4.103 4.350 -0.017 0.000 0.266 112 T C 1.869 176.479 174.700 -0.150 0.000 1.040 112 T CA 1.548 63.499 62.100 -0.248 0.000 1.141 112 T CB -0.662 68.105 68.868 -0.170 0.000 0.868 112 T HN 0.480 nan 8.240 nan 0.000 0.444 113 Y N 2.287 122.504 120.300 -0.139 0.000 2.165 113 Y HA -0.119 4.421 4.550 -0.016 0.000 0.286 113 Y C 2.584 178.423 175.900 -0.101 0.000 1.155 113 Y CA 1.593 59.632 58.100 -0.102 0.000 1.164 113 Y CB -0.505 37.915 38.460 -0.067 0.000 0.978 113 Y HN 0.263 nan 8.280 nan 0.000 0.513 114 Q N -0.287 119.423 119.800 -0.151 0.000 2.297 114 Q HA -0.056 4.274 4.340 -0.017 0.000 0.204 114 Q C 1.801 177.663 176.000 -0.231 0.000 0.962 114 Q CA 1.084 56.761 55.803 -0.209 0.000 0.879 114 Q CB -0.002 28.706 28.738 -0.051 0.000 0.947 114 Q HN 0.522 nan 8.270 nan 0.000 0.462 115 L N -0.939 120.134 121.223 -0.250 0.000 2.592 115 L HA 0.177 4.507 4.340 -0.017 0.000 0.227 115 L C 0.895 177.606 176.870 -0.265 0.000 1.127 115 L CA 0.286 54.976 54.840 -0.249 0.000 0.884 115 L CB 0.208 42.054 42.059 -0.355 0.000 1.065 115 L HN 0.339 nan 8.230 nan 0.000 0.457 116 G N 0.722 109.343 108.800 -0.299 0.000 2.142 116 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.225 116 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.225 116 G C -0.208 174.551 174.900 -0.236 0.000 1.015 116 G CA -0.173 44.771 45.100 -0.260 0.000 0.716 116 G HN 0.214 nan 8.290 nan 0.000 0.508 117 L N -0.440 120.632 121.223 -0.252 0.000 2.323 117 L HA 0.743 5.073 4.340 -0.017 0.000 0.265 117 L C -0.587 176.234 176.870 -0.082 0.000 1.012 117 L CA -1.178 53.539 54.840 -0.204 0.000 0.820 117 L CB 2.009 43.870 42.059 -0.330 0.000 1.334 117 L HN 0.128 nan 8.230 nan 0.000 0.427 118 D N 0.984 121.370 120.400 -0.023 0.000 2.440 118 D HA 0.254 4.884 4.640 -0.017 0.000 0.239 118 D C 0.506 176.829 176.300 0.039 0.000 1.084 118 D CA -0.430 53.588 54.000 0.030 0.000 0.843 118 D CB 1.587 42.413 40.800 0.043 0.000 1.097 118 D HN 0.507 nan 8.370 nan 0.000 0.531 119 M N 2.709 122.333 119.600 0.040 0.000 2.213 119 M HA -0.096 4.374 4.480 -0.017 0.000 0.263 119 M C 1.487 177.826 176.300 0.065 0.000 1.062 119 M CA 1.460 56.794 55.300 0.056 0.000 1.105 119 M CB 0.186 32.812 32.600 0.043 0.000 1.385 119 M HN 0.543 nan 8.290 nan 0.000 0.417 120 E N -0.166 120.063 120.200 0.049 0.000 2.150 120 E HA -0.244 4.096 4.350 -0.017 0.000 0.193 120 E C 1.793 178.421 176.600 0.047 0.000 0.985 120 E CA 1.157 57.583 56.400 0.043 0.000 0.814 120 E CB 0.034 29.754 29.700 0.034 0.000 0.752 120 E HN 0.616 nan 8.360 nan 0.000 0.466 121 E N 0.421 120.654 120.200 0.054 0.000 2.047 121 E HA -0.186 4.154 4.350 -0.017 0.000 0.191 121 E C 2.184 178.822 176.600 0.062 0.000 0.987 121 E CA 0.738 57.170 56.400 0.054 0.000 0.799 121 E CB 0.011 29.746 29.700 0.059 0.000 0.752 121 E HN 0.244 nan 8.360 nan 0.000 0.449 122 L N 0.642 121.926 121.223 0.102 0.000 2.012 122 L HA -0.203 4.127 4.340 -0.017 0.000 0.210 122 L C 2.584 179.536 176.870 0.136 0.000 1.073 122 L CA 1.590 56.529 54.840 0.165 0.000 0.748 122 L CB -0.620 41.580 42.059 0.234 0.000 0.891 122 L HN 0.210 nan 8.230 nan 0.000 0.431 123 E N -0.068 120.205 120.200 0.121 0.000 2.130 123 E HA -0.226 4.114 4.350 -0.017 0.000 0.196 123 E C 1.893 178.470 176.600 -0.039 0.000 0.998 123 E CA 1.052 57.502 56.400 0.083 0.000 0.806 123 E CB 0.063 29.801 29.700 0.063 0.000 0.738 123 E HN 0.350 nan 8.360 nan 0.000 0.459 124 E N 0.144 120.323 120.200 -0.034 0.000 2.516 124 E HA -0.096 4.244 4.350 -0.017 0.000 0.199 124 E C 1.625 178.152 176.600 -0.123 0.000 1.069 124 E CA 0.238 56.606 56.400 -0.054 0.000 0.876 124 E CB 0.181 29.881 29.700 0.000 0.000 0.843 124 E HN 0.325 nan 8.360 nan 0.000 0.530 125 I N 0.572 120.998 120.570 -0.240 0.000 2.406 125 I HA -0.075 4.085 4.170 -0.017 0.000 0.249 125 I C 1.262 177.065 176.117 -0.525 0.000 1.122 125 I CA 0.411 61.490 61.300 -0.368 0.000 1.431 125 I CB -0.493 37.226 38.000 -0.468 0.000 1.087 125 I HN 0.089 nan 8.210 nan 0.000 0.424 126 E N 2.703 122.485 120.200 -0.696 0.000 2.384 126 E HA 0.004 4.344 4.350 -0.017 0.000 0.266 126 E C 0.005 176.509 176.600 -0.159 0.000 1.012 126 E CA -0.054 56.039 56.400 -0.512 0.000 0.901 126 E CB 0.617 30.115 29.700 -0.337 0.000 0.967 126 E HN 0.394 nan 8.360 nan 0.000 0.435 127 E N 3.583 123.763 120.200 -0.033 0.000 2.235 127 E HA 0.268 4.608 4.350 -0.017 0.000 0.265 127 E C -0.811 175.865 176.600 0.127 0.000 0.940 127 E CA -1.054 55.382 56.400 0.060 0.000 0.819 127 E CB 1.012 30.776 29.700 0.107 0.000 1.206 127 E HN 0.260 nan 8.360 nan 0.000 0.409 128 D N 0.612 121.084 120.400 0.119 0.000 2.419 128 D HA 0.165 4.795 4.640 -0.017 0.000 0.236 128 D C -0.592 175.811 176.300 0.172 0.000 1.165 128 D CA 0.332 54.414 54.000 0.137 0.000 0.882 128 D CB 0.942 41.837 40.800 0.159 0.000 1.201 128 D HN 0.557 nan 8.370 nan 0.000 0.443 129 A N 1.224 124.122 122.820 0.129 0.000 2.280 129 A HA 0.543 4.853 4.320 -0.017 0.000 0.320 129 A C 0.714 178.197 177.584 -0.167 0.000 1.366 129 A CA -0.464 51.535 52.037 -0.063 0.000 0.938 129 A CB 0.447 19.453 19.000 0.009 0.000 1.157 129 A HN 0.455 nan 8.150 nan 0.000 0.536 130 G N 2.427 111.002 108.800 -0.374 0.000 4.464 130 G HA2 0.453 4.403 3.960 -0.017 0.000 0.297 130 G HA3 0.453 4.403 3.960 -0.017 0.000 0.297 130 G C 0.149 174.641 174.900 -0.681 0.000 1.342 130 G CA -0.290 44.476 45.100 -0.557 0.000 1.335 130 G HN 0.679 nan 8.290 nan 0.000 0.609 131 L N 1.540 122.465 121.223 -0.496 0.000 2.955 131 L HA 0.402 4.731 4.340 -0.017 0.000 0.238 131 L C 0.984 177.756 176.870 -0.164 0.000 1.359 131 L CA -0.207 54.482 54.840 -0.252 0.000 1.214 131 L CB -0.349 41.700 42.059 -0.018 0.000 1.600 131 L HN 0.329 nan 8.230 nan 0.000 0.442 132 G N -1.186 107.341 108.800 -0.455 0.000 2.660 132 G HA2 0.208 4.157 3.960 -0.017 0.000 0.290 132 G HA3 0.208 4.157 3.960 -0.017 0.000 0.290 132 G C -0.118 174.580 174.900 -0.336 0.000 1.432 132 G CA -0.450 44.487 45.100 -0.272 0.000 0.807 132 G HN -0.056 nan 8.290 nan 0.000 0.485 133 N N -0.791 117.876 118.700 -0.054 0.000 2.387 133 N HA 0.203 4.933 4.740 -0.017 0.000 0.176 133 N C 1.195 176.802 175.510 0.162 0.000 1.022 133 N CA 1.349 54.411 53.050 0.021 0.000 0.883 133 N CB 1.179 39.721 38.487 0.091 0.000 1.019 133 N HN 0.850 nan 8.380 nan 0.000 0.435 134 G N -0.656 108.287 108.800 0.237 0.000 2.667 134 G HA2 0.106 4.056 3.960 -0.017 0.000 0.081 134 G HA3 0.106 4.056 3.960 -0.017 0.000 0.081 134 G C 0.788 175.780 174.900 0.153 0.000 1.105 134 G CA 0.230 45.472 45.100 0.238 0.000 1.326 134 G HN 0.172 nan 8.290 nan 0.000 0.603 135 G N 0.566 109.422 108.800 0.093 0.000 2.476 135 G HA2 -0.087 3.863 3.960 -0.017 0.000 0.218 135 G HA3 -0.087 3.863 3.960 -0.017 0.000 0.218 135 G C 1.910 176.802 174.900 -0.014 0.000 1.164 135 G CA 1.662 46.779 45.100 0.028 0.000 0.768 135 G HN 0.928 nan 8.290 nan 0.000 0.560 136 L N 0.549 121.751 121.223 -0.035 0.000 2.056 136 L HA 0.140 4.470 4.340 -0.017 0.000 0.207 136 L C 2.793 179.607 176.870 -0.093 0.000 1.078 136 L CA 1.954 56.701 54.840 -0.156 0.000 0.749 136 L CB -0.545 41.364 42.059 -0.250 0.000 0.901 136 L HN 0.222 nan 8.230 nan 0.000 0.433 137 G N -0.606 108.201 108.800 0.012 0.000 2.403 137 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.216 137 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.216 137 G C 1.645 176.612 174.900 0.111 0.000 1.154 137 G CA 0.626 45.762 45.100 0.059 0.000 0.784 137 G HN 0.292 nan 8.290 nan 0.000 0.538 138 R N -0.015 120.554 120.500 0.114 0.000 2.153 138 R HA 0.165 4.495 4.340 -0.017 0.000 0.218 138 R C 2.253 178.547 176.300 -0.010 0.000 1.072 138 R CA 0.644 56.788 56.100 0.074 0.000 0.990 138 R CB -0.776 29.521 30.300 -0.005 0.000 0.889 138 R HN 0.339 nan 8.270 nan 0.000 0.452 139 L N 0.083 121.234 121.223 -0.120 0.000 2.056 139 L HA 0.067 4.397 4.340 -0.017 0.000 0.207 139 L C 2.035 178.611 176.870 -0.490 0.000 1.078 139 L CA 2.118 56.751 54.840 -0.346 0.000 0.749 139 L CB -0.823 40.994 42.059 -0.404 0.000 0.901 139 L HN 0.212 nan 8.230 nan 0.000 0.433 140 A N -0.458 122.204 122.820 -0.263 0.000 1.940 140 A HA -0.138 4.172 4.320 -0.017 0.000 0.219 140 A C 2.433 180.070 177.584 0.089 0.000 1.176 140 A CA 1.830 53.785 52.037 -0.137 0.000 0.631 140 A CB -1.118 17.765 19.000 -0.196 0.000 0.814 140 A HN 0.584 nan 8.150 nan 0.000 0.446 141 A N -1.261 121.645 122.820 0.144 0.000 1.898 141 A HA -0.125 4.185 4.320 -0.017 0.000 0.216 141 A C 2.289 179.963 177.584 0.151 0.000 1.181 141 A CA 1.545 53.705 52.037 0.205 0.000 0.620 141 A CB -1.193 17.919 19.000 0.188 0.000 0.819 141 A HN 0.578 nan 8.150 nan 0.000 0.442 142 C N -1.456 117.926 119.300 0.137 0.000 2.425 142 C HA -0.047 4.403 4.460 -0.017 0.000 0.277 142 C C 2.413 177.578 174.990 0.293 0.000 1.280 142 C CA 0.590 59.730 59.018 0.203 0.000 1.744 142 C CB -1.560 26.309 27.740 0.216 0.000 1.989 142 C HN 0.611 nan 8.230 nan 0.000 0.491 143 F N 0.355 120.297 119.950 -0.014 0.000 2.146 143 F HA -0.052 4.465 4.527 -0.017 0.000 0.298 143 F C 2.093 177.844 175.800 -0.081 0.000 1.096 143 F CA 0.998 58.936 58.000 -0.102 0.000 1.275 143 F CB -1.336 37.467 39.000 -0.329 0.000 1.008 143 F HN 0.093 nan 8.300 nan 0.000 0.480 144 L N 0.306 121.623 121.223 0.158 0.000 2.017 144 L HA -0.228 4.102 4.340 -0.017 0.000 0.208 144 L C 2.401 179.295 176.870 0.041 0.000 1.073 144 L CA 1.828 56.716 54.840 0.080 0.000 0.745 144 L CB -1.233 40.884 42.059 0.097 0.000 0.894 144 L HN 0.181 nan 8.230 nan 0.000 0.432 145 D N -1.244 119.191 120.400 0.058 0.000 2.104 145 D HA -0.178 4.452 4.640 -0.017 0.000 0.194 145 D C 1.909 178.232 176.300 0.040 0.000 0.994 145 D CA 1.611 55.629 54.000 0.030 0.000 0.830 145 D CB 0.440 41.260 40.800 0.034 0.000 0.959 145 D HN 0.308 nan 8.370 nan 0.000 0.452 146 S N -0.174 115.566 115.700 0.067 0.000 2.383 146 S HA -0.057 4.403 4.470 -0.017 0.000 0.227 146 S C 2.114 176.729 174.600 0.026 0.000 1.026 146 S CA 0.680 58.908 58.200 0.048 0.000 0.981 146 S CB -0.087 63.145 63.200 0.053 0.000 0.818 146 S HN 0.334 nan 8.310 nan 0.000 0.472 147 M N 0.937 120.545 119.600 0.013 0.000 2.159 147 M HA -0.089 4.381 4.480 -0.017 0.000 0.263 147 M C 2.402 178.706 176.300 0.007 0.000 1.063 147 M CA 1.341 56.645 55.300 0.006 0.000 1.110 147 M CB -0.459 32.124 32.600 -0.030 0.000 1.374 147 M HN 0.396 nan 8.290 nan 0.000 0.411 148 A N -0.365 122.457 122.820 0.002 0.000 1.897 148 A HA -0.112 4.198 4.320 -0.017 0.000 0.215 148 A C 2.146 179.746 177.584 0.025 0.000 1.181 148 A CA 1.944 53.985 52.037 0.008 0.000 0.620 148 A CB -1.029 17.959 19.000 -0.020 0.000 0.821 148 A HN 0.399 nan 8.150 nan 0.000 0.443 149 T N 0.362 114.935 114.554 0.032 0.000 2.915 149 T HA 0.018 4.358 4.350 -0.017 0.000 0.269 149 T C 1.241 175.969 174.700 0.047 0.000 1.071 149 T CA 0.975 63.105 62.100 0.051 0.000 1.132 149 T CB -0.266 68.641 68.868 0.065 0.000 0.878 149 T HN 0.334 nan 8.240 nan 0.000 0.479 150 L N 0.508 121.757 121.223 0.043 0.000 2.685 150 L HA 0.300 4.630 4.340 -0.017 0.000 0.233 150 L C 1.631 178.534 176.870 0.055 0.000 1.173 150 L CA -0.080 54.787 54.840 0.046 0.000 0.961 150 L CB -0.555 41.531 42.059 0.046 0.000 1.217 150 L HN 0.373 nan 8.230 nan 0.000 0.478 151 G N 1.303 110.140 108.800 0.063 0.000 2.283 151 G HA2 -0.290 3.660 3.960 -0.017 0.000 0.280 151 G HA3 -0.290 3.660 3.960 -0.017 0.000 0.280 151 G C 0.126 175.086 174.900 0.100 0.000 1.029 151 G CA 0.156 45.314 45.100 0.098 0.000 0.840 151 G HN 0.317 nan 8.290 nan 0.000 0.505 152 L N -0.279 120.969 121.223 0.042 0.000 2.334 152 L HA 0.623 4.953 4.340 -0.017 0.000 0.277 152 L C 1.165 177.924 176.870 -0.186 0.000 1.075 152 L CA -0.433 54.378 54.840 -0.048 0.000 0.804 152 L CB 1.674 43.713 42.059 -0.035 0.000 1.174 152 L HN 0.228 nan 8.230 nan 0.000 0.438 153 A N 2.992 125.557 122.820 -0.425 0.000 3.026 153 A HA 0.550 4.860 4.320 -0.017 0.000 0.272 153 A C 0.374 177.607 177.584 -0.585 0.000 1.782 153 A CA -0.188 51.337 52.037 -0.853 0.000 1.451 153 A CB -0.666 17.718 19.000 -1.027 0.000 1.081 153 A HN 0.705 nan 8.150 nan 0.000 0.611 154 A N 1.396 123.909 122.820 -0.512 0.000 2.324 154 A HA 0.780 5.090 4.320 -0.017 0.000 0.330 154 A C -1.044 176.212 177.584 -0.547 0.000 1.165 154 A CA -0.407 51.373 52.037 -0.429 0.000 0.813 154 A CB 0.626 19.464 19.000 -0.269 0.000 1.197 154 A HN 0.598 nan 8.150 nan 0.000 0.484 155 Y N 0.307 120.560 120.300 -0.079 0.000 2.373 155 Y HA 0.537 5.077 4.550 -0.016 0.000 0.336 155 Y C 0.780 176.764 175.900 0.140 0.000 0.979 155 Y CA -0.584 57.533 58.100 0.028 0.000 1.080 155 Y CB 2.230 40.785 38.460 0.158 0.000 1.190 155 Y HN 0.833 nan 8.280 nan 0.000 0.446 156 G N 2.093 110.973 108.800 0.133 0.000 2.338 156 G HA2 0.449 4.399 3.960 -0.017 0.000 0.298 156 G HA3 0.449 4.399 3.960 -0.017 0.000 0.298 156 G C -1.772 173.163 174.900 0.059 0.000 1.140 156 G CA -0.290 44.953 45.100 0.238 0.000 0.860 156 G HN 0.505 nan 8.290 nan 0.000 0.470 157 Y N 1.038 121.592 120.300 0.423 0.000 2.331 157 Y HA 0.620 5.160 4.550 -0.017 0.000 0.334 157 Y C 0.745 176.954 175.900 0.514 0.000 0.960 157 Y CA 0.170 58.473 58.100 0.338 0.000 1.130 157 Y CB 2.568 41.242 38.460 0.356 0.000 1.164 157 Y HN 0.866 nan 8.280 nan 0.000 0.458 158 G N 2.436 111.562 108.800 0.544 0.000 2.846 158 G HA2 0.615 4.565 3.960 -0.017 0.000 0.299 158 G HA3 0.615 4.565 3.960 -0.017 0.000 0.299 158 G C -1.710 173.431 174.900 0.401 0.000 1.242 158 G CA -0.802 44.641 45.100 0.572 0.000 0.800 158 G HN 0.420 nan 8.290 nan 0.000 0.538 159 I N 0.445 121.157 120.570 0.236 0.000 2.474 159 I HA 0.434 4.594 4.170 -0.017 0.000 0.294 159 I C 0.272 176.319 176.117 -0.117 0.000 1.005 159 I CA -0.730 60.609 61.300 0.065 0.000 1.113 159 I CB 2.294 40.161 38.000 -0.222 0.000 1.289 159 I HN 0.346 nan 8.210 nan 0.000 0.436 160 R N 6.067 126.589 120.500 0.036 0.000 2.891 160 R HA 0.235 4.565 4.340 -0.017 0.000 0.248 160 R C -1.229 175.129 176.300 0.095 0.000 1.439 160 R CA -0.430 55.718 56.100 0.080 0.000 1.288 160 R CB -0.090 30.233 30.300 0.039 0.000 1.212 160 R HN 0.400 nan 8.270 nan 0.000 0.605 161 Y N 1.214 121.649 120.300 0.226 0.000 2.497 161 Y HA -0.072 4.467 4.550 -0.017 0.000 0.334 161 Y C 1.544 177.608 175.900 0.273 0.000 1.199 161 Y CA 0.120 58.343 58.100 0.204 0.000 1.425 161 Y CB 0.717 39.264 38.460 0.144 0.000 1.291 161 Y HN 0.539 nan 8.280 nan 0.000 0.562 162 E N 1.585 121.979 120.200 0.324 0.000 2.152 162 E HA -0.055 4.285 4.350 -0.017 0.000 0.192 162 E C -0.778 175.707 176.600 -0.192 0.000 0.983 162 E CA 0.750 57.156 56.400 0.010 0.000 0.818 162 E CB 0.173 29.792 29.700 -0.135 0.000 0.758 162 E HN 0.449 nan 8.360 nan 0.000 0.467 163 F N -0.449 119.712 119.950 0.353 0.000 2.499 163 F HA 0.389 4.906 4.527 -0.017 0.000 0.333 163 F C 0.747 176.586 175.800 0.065 0.000 1.138 163 F CA -0.914 57.235 58.000 0.248 0.000 0.945 163 F CB 1.717 40.804 39.000 0.145 0.000 1.181 163 F HN -0.161 nan 8.300 nan 0.000 0.435 164 G N 1.866 110.695 108.800 0.048 0.000 2.546 164 G HA2 0.316 4.266 3.960 -0.017 0.000 0.239 164 G HA3 0.316 4.266 3.960 -0.017 0.000 0.239 164 G C -0.409 174.410 174.900 -0.135 0.000 1.476 164 G CA -0.655 44.324 45.100 -0.202 0.000 1.064 164 G HN 0.581 nan 8.290 nan 0.000 0.561 165 I N 0.901 121.314 120.570 -0.262 0.000 2.775 165 I HA 0.225 4.385 4.170 -0.017 0.000 0.290 165 I C 0.592 176.610 176.117 -0.166 0.000 1.203 165 I CA -0.879 60.270 61.300 -0.250 0.000 1.433 165 I CB -0.145 37.616 38.000 -0.398 0.000 1.354 165 I HN 0.342 nan 8.210 nan 0.000 0.579 166 F N 6.109 126.059 119.950 -0.001 0.000 2.586 166 F HA 0.271 4.788 4.527 -0.016 0.000 0.344 166 F C 0.398 176.242 175.800 0.073 0.000 1.188 166 F CA -0.563 57.462 58.000 0.042 0.000 1.359 166 F CB -0.183 38.833 39.000 0.026 0.000 1.129 166 F HN 0.416 nan 8.300 nan 0.000 0.609 167 N N 1.814 120.686 118.700 0.287 0.000 2.472 167 N HA 0.081 4.811 4.740 -0.017 0.000 0.277 167 N C -1.005 174.731 175.510 0.376 0.000 1.081 167 N CA -0.366 52.815 53.050 0.219 0.000 0.973 167 N CB 1.313 39.924 38.487 0.207 0.000 1.105 167 N HN 0.738 nan 8.380 nan 0.000 0.470 168 Q N 2.417 122.402 119.800 0.308 0.000 2.296 168 Q HA 0.209 4.539 4.340 -0.017 0.000 0.257 168 Q C -0.967 175.202 176.000 0.282 0.000 0.942 168 Q CA -0.205 55.830 55.803 0.387 0.000 0.939 168 Q CB 0.712 29.672 28.738 0.371 0.000 1.198 168 Q HN 0.324 nan 8.270 nan 0.000 0.429 169 K N 3.651 124.195 120.400 0.240 0.000 2.203 169 K HA 0.489 4.799 4.320 -0.017 0.000 0.251 169 K C -0.826 175.874 176.600 0.166 0.000 0.944 169 K CA -0.839 55.563 56.287 0.191 0.000 0.829 169 K CB 1.456 34.047 32.500 0.152 0.000 1.125 169 K HN 0.550 nan 8.250 nan 0.000 0.430 170 I N 2.876 123.538 120.570 0.153 0.000 2.328 170 I HA 0.222 4.382 4.170 -0.017 0.000 0.287 170 I C -0.615 175.566 176.117 0.107 0.000 1.012 170 I CA -0.677 60.690 61.300 0.111 0.000 1.195 170 I CB 0.746 38.801 38.000 0.092 0.000 1.350 170 I HN 0.605 nan 8.210 nan 0.000 0.464 171 C N 3.887 123.259 119.300 0.120 0.000 2.340 171 C HA 0.607 5.057 4.460 -0.017 0.000 0.323 171 C C 1.188 176.283 174.990 0.176 0.000 1.260 171 C CA -0.524 58.567 59.018 0.120 0.000 1.464 171 C CB 0.584 28.382 27.740 0.096 0.000 2.156 171 C HN 1.081 nan 8.230 nan 0.000 0.476 172 G N 2.233 111.115 108.800 0.137 0.000 2.225 172 G HA2 0.123 4.073 3.960 -0.017 0.000 0.267 172 G HA3 0.123 4.073 3.960 -0.017 0.000 0.267 172 G C 1.075 176.051 174.900 0.127 0.000 1.024 172 G CA 0.977 46.177 45.100 0.167 0.000 0.784 172 G HN 2.435 nan 8.290 nan 0.000 0.507 173 G N -3.103 105.705 108.800 0.014 0.000 2.176 173 G HA2 -0.264 3.686 3.960 -0.017 0.000 0.253 173 G HA3 -0.264 3.686 3.960 -0.017 0.000 0.253 173 G C 0.283 174.995 174.900 -0.315 0.000 0.979 173 G CA 0.646 45.634 45.100 -0.187 0.000 0.641 173 G HN 1.227 nan 8.290 nan 0.000 0.530 174 W N 0.509 121.753 121.300 -0.093 0.000 2.639 174 W HA 0.684 5.334 4.660 -0.016 0.000 0.347 174 W C 0.496 176.955 176.519 -0.101 0.000 1.067 174 W CA -0.961 56.318 57.345 -0.110 0.000 1.218 174 W CB 0.892 30.308 29.460 -0.074 0.000 1.393 174 W HN 0.247 nan 8.180 nan 0.000 0.557 175 Q N 2.620 122.520 119.800 0.167 0.000 2.314 175 Q HA 0.352 4.682 4.340 -0.017 0.000 0.258 175 Q C -0.717 175.337 176.000 0.090 0.000 0.954 175 Q CA 0.048 55.914 55.803 0.105 0.000 0.890 175 Q CB 0.653 29.447 28.738 0.092 0.000 1.210 175 Q HN 0.312 nan 8.270 nan 0.000 0.410 176 M N 2.902 122.550 119.600 0.080 0.000 2.465 176 M HA 0.400 4.870 4.480 -0.017 0.000 0.316 176 M C -1.214 175.092 176.300 0.010 0.000 1.121 176 M CA -0.733 54.578 55.300 0.019 0.000 0.934 176 M CB 1.913 34.537 32.600 0.039 0.000 1.692 176 M HN 0.640 nan 8.290 nan 0.000 0.444 177 E N 1.068 121.200 120.200 -0.114 0.000 2.191 177 E HA 0.485 4.825 4.350 -0.017 0.000 0.278 177 E C -0.940 175.653 176.600 -0.011 0.000 0.972 177 E CA -0.443 55.855 56.400 -0.170 0.000 0.804 177 E CB 1.856 31.168 29.700 -0.647 0.000 1.110 177 E HN 0.459 nan 8.360 nan 0.000 0.394 178 E N 1.533 121.816 120.200 0.138 0.000 2.234 178 E HA 0.567 4.907 4.350 -0.017 0.000 0.266 178 E C -1.169 175.528 176.600 0.161 0.000 0.877 178 E CA -1.091 55.380 56.400 0.118 0.000 0.758 178 E CB 1.229 31.013 29.700 0.140 0.000 1.170 178 E HN 0.630 nan 8.360 nan 0.000 0.415 179 A N 3.657 126.525 122.820 0.080 0.000 2.540 179 A HA 0.002 4.312 4.320 -0.017 0.000 0.239 179 A C 0.012 177.758 177.584 0.271 0.000 1.061 179 A CA 0.191 52.282 52.037 0.091 0.000 0.758 179 A CB 0.162 19.050 19.000 -0.186 0.000 0.991 179 A HN 0.677 nan 8.150 nan 0.000 0.502 180 D N 1.778 122.406 120.400 0.379 0.000 2.494 180 D HA 0.173 4.803 4.640 -0.017 0.000 0.217 180 D C -0.339 176.273 176.300 0.520 0.000 1.153 180 D CA -0.234 53.990 54.000 0.374 0.000 0.954 180 D CB 0.342 41.289 40.800 0.245 0.000 1.034 180 D HN 0.381 nan 8.370 nan 0.000 0.518 181 D N 3.885 124.559 120.400 0.457 0.000 2.767 181 D HA -0.057 4.573 4.640 -0.017 0.000 0.231 181 D C 1.199 177.633 176.300 0.223 0.000 1.105 181 D CA -0.441 53.747 54.000 0.313 0.000 1.024 181 D CB -0.248 40.717 40.800 0.275 0.000 1.123 181 D HN 0.569 nan 8.370 nan 0.000 0.470 182 W N 1.536 122.862 121.300 0.042 0.000 2.468 182 W HA -0.092 4.558 4.660 -0.017 0.000 0.262 182 W C 0.034 176.592 176.519 0.066 0.000 1.241 182 W CA 0.238 57.625 57.345 0.070 0.000 1.232 182 W CB -0.720 28.779 29.460 0.066 0.000 1.124 182 W HN 0.203 nan 8.180 nan 0.000 0.597 183 L N 0.818 121.705 121.223 -0.559 0.000 2.640 183 L HA 0.198 4.528 4.340 -0.017 0.000 0.230 183 L C 2.627 179.322 176.870 -0.292 0.000 1.123 183 L CA -0.037 54.433 54.840 -0.617 0.000 0.900 183 L CB -0.625 40.910 42.059 -0.873 0.000 1.146 183 L HN -0.152 nan 8.230 nan 0.000 0.484 184 R N 1.017 121.398 120.500 -0.198 0.000 2.159 184 R HA -0.270 4.060 4.340 -0.017 0.000 0.249 184 R C 1.528 177.608 176.300 -0.366 0.000 1.136 184 R CA 2.349 58.282 56.100 -0.278 0.000 0.951 184 R CB -0.503 29.610 30.300 -0.313 0.000 0.876 184 R HN 0.284 nan 8.270 nan 0.000 0.440 185 Y N -0.175 120.131 120.300 0.010 0.000 2.490 185 Y HA 0.318 4.858 4.550 -0.017 0.000 0.281 185 Y C 1.109 176.975 175.900 -0.056 0.000 1.174 185 Y CA 0.631 58.748 58.100 0.029 0.000 1.295 185 Y CB 0.504 39.105 38.460 0.236 0.000 1.062 185 Y HN 0.557 nan 8.280 nan 0.000 0.522 186 G N 0.983 109.788 108.800 0.007 0.000 2.655 186 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.680 186 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.680 186 G C -1.280 173.627 174.900 0.012 0.000 1.302 186 G CA -0.604 44.456 45.100 -0.066 0.000 0.872 186 G HN 0.248 nan 8.290 nan 0.000 0.540 187 N N 0.687 119.368 118.700 -0.031 0.000 2.577 187 N HA 0.512 5.242 4.740 -0.017 0.000 0.275 187 N C -1.045 174.453 175.510 -0.021 0.000 1.091 187 N CA -1.575 51.493 53.050 0.030 0.000 0.843 187 N CB 2.202 40.650 38.487 -0.065 0.000 1.295 187 N HN 0.257 nan 8.380 nan 0.000 0.530 188 P HA 0.028 nan 4.420 nan 0.000 0.229 188 P C 0.711 177.710 177.300 -0.503 0.000 1.160 188 P CA 0.701 63.509 63.100 -0.486 0.000 0.777 188 P CB 0.152 31.308 31.700 -0.908 0.000 0.814 189 W N 1.977 123.281 121.300 0.007 0.000 2.494 189 W HA 0.034 4.684 4.660 -0.016 0.000 0.286 189 W C 1.354 177.906 176.519 0.054 0.000 1.218 189 W CA -0.256 57.086 57.345 -0.005 0.000 1.313 189 W CB -0.545 28.910 29.460 -0.008 0.000 1.105 189 W HN -0.008 nan 8.180 nan 0.000 0.561 190 E N 1.906 122.283 120.200 0.295 0.000 2.374 190 E HA 0.237 4.577 4.350 -0.017 0.000 0.260 190 E C -0.493 176.282 176.600 0.291 0.000 1.101 190 E CA -0.516 56.068 56.400 0.305 0.000 0.907 190 E CB 1.003 30.893 29.700 0.316 0.000 1.014 190 E HN -0.312 nan 8.360 nan 0.000 0.427 191 K N 1.352 121.941 120.400 0.316 0.000 2.545 191 K HA 0.419 4.729 4.320 -0.017 0.000 0.252 191 K C -1.245 175.380 176.600 0.042 0.000 0.948 191 K CA -0.468 55.934 56.287 0.191 0.000 0.827 191 K CB 1.606 34.225 32.500 0.198 0.000 1.128 191 K HN 0.671 nan 8.250 nan 0.000 0.429 192 A N 4.090 126.838 122.820 -0.120 0.000 2.498 192 A HA 0.370 4.680 4.320 -0.017 0.000 0.239 192 A C -0.271 177.106 177.584 -0.345 0.000 1.068 192 A CA -0.079 51.618 52.037 -0.568 0.000 0.766 192 A CB 0.214 18.901 19.000 -0.521 0.000 1.003 192 A HN 0.662 nan 8.150 nan 0.000 0.497 193 R N 2.993 123.272 120.500 -0.368 0.000 2.835 193 R HA 0.201 4.531 4.340 -0.017 0.000 0.290 193 R C -2.358 173.826 176.300 -0.193 0.000 1.410 193 R CA -1.660 54.315 56.100 -0.209 0.000 1.590 193 R CB 0.679 30.990 30.300 0.019 0.000 1.288 193 R HN 0.567 nan 8.270 nan 0.000 0.637 194 P HA -0.204 nan 4.420 nan 0.000 0.218 194 P C 0.974 178.198 177.300 -0.127 0.000 1.148 194 P CA 1.217 64.242 63.100 -0.124 0.000 0.822 194 P CB 0.333 31.964 31.700 -0.115 0.000 0.784 195 E N -0.553 119.473 120.200 -0.291 0.000 2.401 195 E HA -0.145 4.195 4.350 -0.017 0.000 0.199 195 E C 0.579 177.005 176.600 -0.290 0.000 1.023 195 E CA 0.913 57.088 56.400 -0.374 0.000 0.859 195 E CB -0.738 28.585 29.700 -0.629 0.000 0.780 195 E HN 0.252 nan 8.360 nan 0.000 0.523 196 F N 1.646 121.611 119.950 0.025 0.000 2.668 196 F HA 0.273 4.790 4.527 -0.017 0.000 0.301 196 F C 0.412 176.304 175.800 0.152 0.000 1.106 196 F CA -0.785 57.259 58.000 0.073 0.000 1.289 196 F CB 0.046 39.080 39.000 0.057 0.000 1.006 196 F HN -0.284 nan 8.300 nan 0.000 0.535 197 T N 3.206 117.913 114.554 0.254 0.000 2.940 197 T HA 0.389 4.729 4.350 -0.017 0.000 0.309 197 T C 0.113 174.922 174.700 0.181 0.000 1.056 197 T CA 0.450 62.697 62.100 0.244 0.000 1.137 197 T CB 0.562 69.522 68.868 0.153 0.000 0.976 197 T HN -0.007 nan 8.240 nan 0.000 0.547 198 L N 5.035 126.330 121.223 0.119 0.000 2.354 198 L HA 0.553 4.883 4.340 -0.017 0.000 0.264 198 L C -2.283 174.537 176.870 -0.084 0.000 1.008 198 L CA -2.606 52.226 54.840 -0.013 0.000 0.819 198 L CB 2.412 44.398 42.059 -0.121 0.000 1.339 198 L HN 0.394 nan 8.230 nan 0.000 0.420 199 P HA 0.279 nan 4.420 nan 0.000 0.288 199 P C -1.170 175.996 177.300 -0.224 0.000 1.267 199 P CA -0.382 62.625 63.100 -0.155 0.000 0.815 199 P CB 2.072 33.679 31.700 -0.155 0.000 0.989 200 V N 4.039 123.790 119.914 -0.272 0.000 2.588 200 V HA 0.303 4.413 4.120 -0.017 0.000 0.304 200 V C -0.268 175.574 176.094 -0.421 0.000 1.042 200 V CA -0.543 61.585 62.300 -0.287 0.000 0.877 200 V CB 1.380 33.055 31.823 -0.247 0.000 0.996 200 V HN 0.591 nan 8.190 nan 0.000 0.425 201 H N 3.885 122.739 119.070 -0.359 0.000 2.479 201 H HA 0.771 5.317 4.556 -0.017 0.000 0.335 201 H C -1.062 173.948 175.328 -0.531 0.000 1.142 201 H CA -0.361 55.405 56.048 -0.469 0.000 1.234 201 H CB 1.242 30.504 29.762 -0.833 0.000 1.503 201 H HN 0.475 nan 8.280 nan 0.000 0.510 202 F N 0.475 120.491 119.950 0.109 0.000 2.613 202 F HA 0.321 4.838 4.527 -0.017 0.000 0.314 202 F C -0.277 175.639 175.800 0.193 0.000 1.075 202 F CA -0.894 57.165 58.000 0.099 0.000 0.945 202 F CB 0.742 39.704 39.000 -0.064 0.000 1.310 202 F HN 0.558 nan 8.300 nan 0.000 0.467 203 Y N 0.157 120.743 120.300 0.476 0.000 2.896 203 Y HA -0.001 4.539 4.550 -0.017 0.000 0.466 203 Y C 1.415 177.553 175.900 0.396 0.000 1.196 203 Y CA 0.795 59.096 58.100 0.334 0.000 2.514 203 Y CB -1.863 36.725 38.460 0.214 0.000 1.231 203 Y HN 1.299 nan 8.280 nan 0.000 0.632 204 G N 0.569 109.638 108.800 0.448 0.000 2.593 204 G HA2 0.097 4.047 3.960 -0.017 0.000 0.237 204 G HA3 0.097 4.047 3.960 -0.017 0.000 0.237 204 G C -0.602 174.504 174.900 0.342 0.000 1.312 204 G CA 0.762 46.054 45.100 0.320 0.000 0.896 204 G HN 1.295 nan 8.290 nan 0.000 0.574 205 R N -2.590 118.108 120.500 0.330 0.000 2.766 205 R HA 0.733 5.063 4.340 -0.017 0.000 0.270 205 R C -1.421 175.012 176.300 0.222 0.000 1.035 205 R CA -1.048 55.191 56.100 0.232 0.000 0.911 205 R CB 1.389 31.775 30.300 0.143 0.000 1.243 205 R HN 0.852 nan 8.270 nan 0.000 0.460 206 V N 1.189 121.150 119.914 0.079 0.000 2.459 206 V HA 0.361 4.471 4.120 -0.017 0.000 0.295 206 V C -0.283 175.734 176.094 -0.128 0.000 1.029 206 V CA -0.572 61.702 62.300 -0.045 0.000 0.874 206 V CB 1.332 33.061 31.823 -0.156 0.000 0.985 206 V HN 0.854 nan 8.190 nan 0.000 0.438 207 E N 3.804 123.898 120.200 -0.178 0.000 2.238 207 E HA 0.497 4.837 4.350 -0.017 0.000 0.267 207 E C -1.247 175.176 176.600 -0.294 0.000 0.887 207 E CA -0.906 55.404 56.400 -0.150 0.000 0.769 207 E CB 1.907 31.593 29.700 -0.024 0.000 1.187 207 E HN 0.702 nan 8.360 nan 0.000 0.416 208 H N 3.133 122.217 119.070 0.024 0.000 2.746 208 H HA 0.157 4.703 4.556 -0.017 0.000 0.269 208 H C 0.234 175.571 175.328 0.016 0.000 1.248 208 H CA -0.261 55.797 56.048 0.017 0.000 1.258 208 H CB 0.863 30.630 29.762 0.008 0.000 1.441 208 H HN 0.702 nan 8.280 nan 0.000 0.508 209 T N -0.883 113.715 114.554 0.074 0.000 2.753 209 T HA -0.012 4.328 4.350 -0.017 0.000 0.309 209 T C 1.880 176.617 174.700 0.061 0.000 1.043 209 T CA -0.061 62.073 62.100 0.056 0.000 0.964 209 T CB 0.856 69.743 68.868 0.031 0.000 1.206 209 T HN 0.446 nan 8.240 nan 0.000 0.528 210 S N 0.003 115.729 115.700 0.042 0.000 2.423 210 S HA -0.143 4.317 4.470 -0.017 0.000 0.231 210 S C 1.574 176.196 174.600 0.036 0.000 1.014 210 S CA 1.038 59.259 58.200 0.036 0.000 0.965 210 S CB -0.789 62.427 63.200 0.027 0.000 0.785 210 S HN 0.857 nan 8.310 nan 0.000 0.495 211 Q N 0.116 119.938 119.800 0.036 0.000 2.175 211 Q HA 0.595 4.925 4.340 -0.017 0.000 0.225 211 Q C 0.702 176.726 176.000 0.041 0.000 0.837 211 Q CA -0.181 55.643 55.803 0.035 0.000 1.032 211 Q CB 0.483 29.238 28.738 0.027 0.000 1.137 211 Q HN 0.560 nan 8.270 nan 0.000 0.483 212 G N 0.588 109.421 108.800 0.055 0.000 2.346 212 G HA2 0.283 4.233 3.960 -0.017 0.000 0.294 212 G HA3 0.283 4.233 3.960 -0.017 0.000 0.294 212 G C -1.630 173.306 174.900 0.060 0.000 1.294 212 G CA -0.604 44.535 45.100 0.066 0.000 0.962 212 G HN 0.401 nan 8.290 nan 0.000 0.508 213 A N -0.174 122.670 122.820 0.040 0.000 2.327 213 A HA 0.802 5.112 4.320 -0.017 0.000 0.283 213 A C 0.190 177.733 177.584 -0.069 0.000 1.127 213 A CA 0.122 52.114 52.037 -0.076 0.000 0.810 213 A CB 1.073 20.028 19.000 -0.074 0.000 1.066 213 A HN 0.850 nan 8.150 nan 0.000 0.492 214 K N 1.654 121.993 120.400 -0.100 0.000 2.507 214 K HA 0.238 4.548 4.320 -0.017 0.000 0.252 214 K C -1.781 174.853 176.600 0.058 0.000 0.943 214 K CA -0.469 55.809 56.287 -0.014 0.000 0.808 214 K CB 1.135 33.628 32.500 -0.013 0.000 1.142 214 K HN 0.741 nan 8.250 nan 0.000 0.426 215 W N 6.571 127.792 121.300 -0.130 0.000 2.437 215 W HA 0.279 4.929 4.660 -0.017 0.000 0.312 215 W C -0.663 175.803 176.519 -0.089 0.000 1.242 215 W CA -0.658 56.618 57.345 -0.115 0.000 1.340 215 W CB -0.017 29.362 29.460 -0.136 0.000 1.327 215 W HN 0.271 nan 8.180 nan 0.000 0.476 216 V N 2.736 122.723 119.914 0.121 0.000 3.158 216 V HA 0.563 4.673 4.120 -0.017 0.000 0.315 216 V C 0.415 176.504 176.094 -0.008 0.000 1.148 216 V CA -0.795 61.498 62.300 -0.012 0.000 1.042 216 V CB 1.870 33.704 31.823 0.019 0.000 1.101 216 V HN 0.520 nan 8.190 nan 0.000 0.448 217 D N 0.613 121.002 120.400 -0.018 0.000 2.837 217 D HA -0.155 4.475 4.640 -0.017 0.000 0.230 217 D C 0.554 176.870 176.300 0.026 0.000 1.152 217 D CA 1.390 55.400 54.000 0.017 0.000 0.736 217 D CB -0.628 40.203 40.800 0.053 0.000 1.084 217 D HN 1.269 nan 8.370 nan 0.000 0.429 218 T N -2.415 112.107 114.554 -0.054 0.000 2.847 218 T HA 0.511 4.851 4.350 -0.017 0.000 0.279 218 T C 0.408 175.144 174.700 0.061 0.000 0.984 218 T CA -0.557 61.525 62.100 -0.031 0.000 0.988 218 T CB 2.057 70.742 68.868 -0.307 0.000 1.040 218 T HN 0.077 nan 8.240 nan 0.000 0.528 219 Q N 0.342 120.233 119.800 0.151 0.000 2.274 219 Q HA 0.622 4.952 4.340 -0.017 0.000 0.260 219 Q C -1.012 175.040 176.000 0.087 0.000 0.974 219 Q CA -0.977 54.915 55.803 0.149 0.000 0.876 219 Q CB 2.164 31.057 28.738 0.259 0.000 1.297 219 Q HN 0.538 nan 8.270 nan 0.000 0.446 220 V N 2.377 122.289 119.914 -0.004 0.000 2.547 220 V HA 0.505 4.615 4.120 -0.017 0.000 0.299 220 V C -0.444 175.663 176.094 0.020 0.000 1.040 220 V CA -0.648 61.573 62.300 -0.132 0.000 0.913 220 V CB 1.837 33.518 31.823 -0.236 0.000 0.992 220 V HN 0.491 nan 8.190 nan 0.000 0.449 221 V N 5.328 125.273 119.914 0.051 0.000 2.638 221 V HA 0.473 4.583 4.120 -0.017 0.000 0.306 221 V C -0.324 175.854 176.094 0.139 0.000 1.052 221 V CA -0.559 61.837 62.300 0.160 0.000 0.885 221 V CB 1.945 33.964 31.823 0.326 0.000 0.999 221 V HN 0.634 nan 8.190 nan 0.000 0.424 222 L N 3.501 124.815 121.223 0.151 0.000 2.357 222 L HA 0.772 5.102 4.340 -0.017 0.000 0.273 222 L C 0.449 177.508 176.870 0.315 0.000 1.080 222 L CA -0.414 54.516 54.840 0.150 0.000 0.803 222 L CB 1.444 43.573 42.059 0.117 0.000 1.174 222 L HN 0.753 nan 8.230 nan 0.000 0.443 223 A N 4.811 127.753 122.820 0.203 0.000 2.277 223 A HA 0.552 4.862 4.320 -0.017 0.000 0.318 223 A C -0.471 177.393 177.584 0.465 0.000 1.339 223 A CA -0.458 51.722 52.037 0.239 0.000 0.875 223 A CB 0.821 19.465 19.000 -0.592 0.000 1.158 223 A HN 0.783 nan 8.150 nan 0.000 0.514 224 M N 6.200 126.135 119.600 0.559 0.000 2.080 224 M HA 0.429 4.899 4.480 -0.017 0.000 0.350 224 M C -2.559 174.028 176.300 0.478 0.000 1.173 224 M CA -2.115 53.459 55.300 0.456 0.000 1.052 224 M CB 1.787 34.573 32.600 0.309 0.000 1.577 224 M HN 0.349 nan 8.290 nan 0.000 0.455 225 P HA 0.220 nan 4.420 nan 0.000 0.282 225 P C -1.929 175.341 177.300 -0.051 0.000 1.249 225 P CA 0.029 63.045 63.100 -0.140 0.000 0.806 225 P CB 0.547 31.910 31.700 -0.562 0.000 0.984 226 Y N 0.609 120.853 120.300 -0.094 0.000 2.338 226 Y HA 0.307 4.847 4.550 -0.017 0.000 0.333 226 Y C 0.135 176.036 175.900 0.002 0.000 0.968 226 Y CA -0.297 57.809 58.100 0.009 0.000 1.123 226 Y CB 1.451 39.946 38.460 0.059 0.000 1.165 226 Y HN 0.224 nan 8.280 nan 0.000 0.452 227 D N 2.083 122.608 120.400 0.209 0.000 2.193 227 D HA 0.420 5.050 4.640 -0.017 0.000 0.244 227 D C -0.609 175.942 176.300 0.417 0.000 1.064 227 D CA -0.226 53.944 54.000 0.283 0.000 0.845 227 D CB 1.809 42.808 40.800 0.331 0.000 1.148 227 D HN 0.366 nan 8.370 nan 0.000 0.464 228 T N 2.967 117.661 114.554 0.233 0.000 2.824 228 T HA 0.482 4.822 4.350 -0.017 0.000 0.282 228 T C -2.559 171.945 174.700 -0.326 0.000 0.993 228 T CA -1.495 60.616 62.100 0.018 0.000 0.967 228 T CB 2.122 71.001 68.868 0.019 0.000 0.960 228 T HN 0.156 nan 8.240 nan 0.000 0.441 229 P HA 0.349 nan 4.420 nan 0.000 0.279 229 P C -0.872 176.081 177.300 -0.578 0.000 1.239 229 P CA -0.510 61.861 63.100 -1.216 0.000 0.789 229 P CB 1.072 31.789 31.700 -1.638 0.000 0.933 230 V N 2.430 122.086 119.914 -0.430 0.000 2.447 230 V HA 0.527 4.637 4.120 -0.017 0.000 0.292 230 V C -2.796 173.170 176.094 -0.214 0.000 1.021 230 V CA -2.776 59.362 62.300 -0.268 0.000 0.850 230 V CB 1.945 33.662 31.823 -0.177 0.000 1.005 230 V HN 0.369 nan 8.190 nan 0.000 0.426 231 P HA 0.379 nan 4.420 nan 0.000 0.285 231 P C 0.349 177.604 177.300 -0.075 0.000 1.259 231 P CA 0.450 63.469 63.100 -0.136 0.000 0.794 231 P CB 1.639 33.251 31.700 -0.146 0.000 0.940 232 G N 2.217 110.988 108.800 -0.047 0.000 2.562 232 G HA2 0.196 4.146 3.960 -0.017 0.000 0.275 232 G HA3 0.196 4.146 3.960 -0.017 0.000 0.275 232 G C -1.244 173.669 174.900 0.021 0.000 1.196 232 G CA -0.469 44.632 45.100 0.001 0.000 0.908 232 G HN 0.459 nan 8.290 nan 0.000 0.524 233 Y N 1.901 122.165 120.300 -0.060 0.000 2.584 233 Y HA 0.197 4.737 4.550 -0.017 0.000 0.351 233 Y C 1.467 177.330 175.900 -0.061 0.000 1.030 233 Y CA -0.367 57.693 58.100 -0.067 0.000 1.332 233 Y CB 0.076 38.494 38.460 -0.070 0.000 1.148 233 Y HN 0.650 nan 8.280 nan 0.000 0.528 234 R N 2.785 122.959 120.500 -0.544 0.000 3.610 234 R HA -0.283 4.047 4.340 -0.017 0.000 0.274 234 R C -0.131 176.039 176.300 -0.216 0.000 1.123 234 R CA 1.073 56.904 56.100 -0.448 0.000 0.747 234 R CB -2.343 27.559 30.300 -0.664 0.000 1.149 234 R HN 0.818 nan 8.270 nan 0.000 0.471 235 N N -0.195 118.426 118.700 -0.133 0.000 2.171 235 N HA -0.006 4.724 4.740 -0.017 0.000 0.212 235 N C 0.066 175.526 175.510 -0.083 0.000 1.184 235 N CA -0.216 52.784 53.050 -0.083 0.000 0.888 235 N CB 0.173 38.636 38.487 -0.040 0.000 1.038 235 N HN 0.142 nan 8.380 nan 0.000 0.517 236 N N -0.697 117.949 118.700 -0.089 0.000 2.753 236 N HA -0.131 4.599 4.740 -0.017 0.000 0.251 236 N C -1.161 174.304 175.510 -0.074 0.000 1.097 236 N CA 0.579 53.584 53.050 -0.075 0.000 0.786 236 N CB -1.653 36.791 38.487 -0.072 0.000 1.137 236 N HN 0.216 nan 8.380 nan 0.000 0.566 237 V N 1.215 121.088 119.914 -0.068 0.000 2.432 237 V HA 0.419 4.529 4.120 -0.017 0.000 0.275 237 V C 0.523 176.588 176.094 -0.048 0.000 1.043 237 V CA -0.486 61.778 62.300 -0.060 0.000 0.925 237 V CB 2.010 33.823 31.823 -0.017 0.000 0.985 237 V HN -0.035 nan 8.190 nan 0.000 0.466 238 V N 5.672 125.564 119.914 -0.037 0.000 2.443 238 V HA 0.474 4.584 4.120 -0.017 0.000 0.293 238 V C -0.066 176.037 176.094 0.014 0.000 1.021 238 V CA -0.806 61.459 62.300 -0.058 0.000 0.848 238 V CB 1.651 33.427 31.823 -0.078 0.000 0.998 238 V HN 0.830 nan 8.190 nan 0.000 0.424 239 N N 1.971 120.647 118.700 -0.040 0.000 2.538 239 N HA 0.606 5.336 4.740 -0.017 0.000 0.292 239 N C -0.129 175.380 175.510 -0.001 0.000 1.262 239 N CA -0.351 52.699 53.050 0.001 0.000 0.976 239 N CB 1.380 39.823 38.487 -0.074 0.000 1.161 239 N HN 0.617 nan 8.380 nan 0.000 0.598 240 T N 0.654 115.221 114.554 0.022 0.000 2.863 240 T HA 0.447 4.787 4.350 -0.017 0.000 0.285 240 T C -0.343 174.342 174.700 -0.025 0.000 1.009 240 T CA -0.527 61.655 62.100 0.136 0.000 0.989 240 T CB 1.240 70.338 68.868 0.383 0.000 1.004 240 T HN 0.309 nan 8.240 nan 0.000 0.455 241 M N 3.406 122.957 119.600 -0.081 0.000 2.078 241 M HA 0.504 4.974 4.480 -0.017 0.000 0.320 241 M C -0.647 175.518 176.300 -0.224 0.000 0.969 241 M CA -0.752 54.402 55.300 -0.243 0.000 0.929 241 M CB 0.844 33.248 32.600 -0.327 0.000 1.504 241 M HN 0.499 nan 8.290 nan 0.000 0.419 242 R N 5.937 126.203 120.500 -0.390 0.000 2.265 242 R HA 0.630 4.960 4.340 -0.017 0.000 0.328 242 R C -1.911 174.133 176.300 -0.427 0.000 0.969 242 R CA -0.405 55.428 56.100 -0.447 0.000 0.832 242 R CB 0.833 30.693 30.300 -0.734 0.000 1.139 242 R HN 0.801 nan 8.270 nan 0.000 0.457 243 L N 5.040 126.103 121.223 -0.268 0.000 2.322 243 L HA 0.512 4.842 4.340 -0.017 0.000 0.281 243 L C -0.779 176.039 176.870 -0.087 0.000 1.014 243 L CA -0.962 53.806 54.840 -0.119 0.000 0.815 243 L CB 1.437 43.515 42.059 0.031 0.000 1.247 243 L HN 0.579 nan 8.230 nan 0.000 0.421 244 W N 1.677 123.103 121.300 0.210 0.000 2.316 244 W HA 0.486 5.136 4.660 -0.017 0.000 0.321 244 W C 0.549 177.308 176.519 0.400 0.000 1.203 244 W CA -0.236 57.251 57.345 0.237 0.000 1.214 244 W CB 1.373 30.794 29.460 -0.065 0.000 1.169 244 W HN 0.346 nan 8.180 nan 0.000 0.561 245 S N 1.826 117.951 115.700 0.709 0.000 2.502 245 S HA 0.756 5.216 4.470 -0.017 0.000 0.304 245 S C -0.478 174.474 174.600 0.587 0.000 1.097 245 S CA -0.719 57.794 58.200 0.522 0.000 1.045 245 S CB 0.554 64.000 63.200 0.411 0.000 1.019 245 S HN 0.547 nan 8.310 nan 0.000 0.481 246 A N 5.091 128.091 122.820 0.299 0.000 2.366 246 A HA 0.688 4.998 4.320 -0.017 0.000 0.272 246 A C -0.275 177.399 177.584 0.149 0.000 1.135 246 A CA -0.316 51.797 52.037 0.126 0.000 0.804 246 A CB 0.311 19.100 19.000 -0.351 0.000 1.064 246 A HN 0.687 nan 8.150 nan 0.000 0.499 247 K N 0.982 121.489 120.400 0.179 0.000 2.435 247 K HA 0.669 4.979 4.320 -0.017 0.000 0.251 247 K C -0.316 176.343 176.600 0.099 0.000 0.954 247 K CA -0.498 55.867 56.287 0.131 0.000 0.820 247 K CB 2.174 34.762 32.500 0.147 0.000 1.292 247 K HN 0.776 nan 8.250 nan 0.000 0.436 248 A N 3.024 125.884 122.820 0.067 0.000 2.351 248 A HA 0.482 4.792 4.320 -0.017 0.000 0.257 248 A C -1.996 175.616 177.584 0.048 0.000 1.087 248 A CA -0.919 51.149 52.037 0.051 0.000 0.798 248 A CB -0.453 18.565 19.000 0.031 0.000 1.033 248 A HN 0.423 nan 8.150 nan 0.000 0.488 249 P HA 0.226 nan 4.420 nan 0.000 0.276 249 P C -0.602 176.712 177.300 0.024 0.000 1.252 249 P CA -0.399 62.716 63.100 0.026 0.000 0.802 249 P CB 0.768 32.473 31.700 0.009 0.000 1.035 262 Y N 0.769 121.072 120.300 0.004 0.000 2.128 262 Y HA -0.097 4.443 4.550 -0.017 0.000 0.284 262 Y C 2.686 178.589 175.900 0.005 0.000 1.154 262 Y CA 2.366 60.469 58.100 0.004 0.000 1.149 262 Y CB -0.040 38.423 38.460 0.004 0.000 0.976 262 Y HN 0.230 nan 8.280 nan 0.000 0.505 263 I N 0.383 120.930 120.570 -0.037 0.000 2.142 263 I HA -0.295 3.865 4.170 -0.017 0.000 0.240 263 I C 2.379 178.405 176.117 -0.152 0.000 1.078 263 I CA 1.733 62.945 61.300 -0.146 0.000 1.343 263 I CB -1.484 36.522 38.000 0.011 0.000 1.046 263 I HN 0.321 nan 8.210 nan 0.000 0.405 264 Q N 1.049 120.806 119.800 -0.073 0.000 2.170 264 Q HA -0.102 4.228 4.340 -0.017 0.000 0.203 264 Q C 2.184 178.136 176.000 -0.080 0.000 0.976 264 Q CA 2.041 57.809 55.803 -0.059 0.000 0.858 264 Q CB -0.334 28.389 28.738 -0.025 0.000 0.907 264 Q HN 0.483 nan 8.270 nan 0.000 0.433 265 A N -0.971 121.788 122.820 -0.102 0.000 1.930 265 A HA -0.100 4.210 4.320 -0.017 0.000 0.217 265 A C 2.189 179.694 177.584 -0.133 0.000 1.175 265 A CA 1.533 53.512 52.037 -0.095 0.000 0.627 265 A CB -0.534 18.420 19.000 -0.076 0.000 0.815 265 A HN 0.259 nan 8.150 nan 0.000 0.443 266 V N 0.131 119.906 119.914 -0.230 0.000 2.379 266 V HA -0.175 3.935 4.120 -0.017 0.000 0.245 266 V C 2.482 178.505 176.094 -0.119 0.000 1.044 266 V CA 1.552 63.725 62.300 -0.211 0.000 1.036 266 V CB -0.677 30.942 31.823 -0.340 0.000 0.664 266 V HN 0.555 nan 8.190 nan 0.000 0.453 267 L N -0.151 121.009 121.223 -0.106 0.000 2.131 267 L HA -0.161 4.169 4.340 -0.017 0.000 0.210 267 L C 2.032 178.878 176.870 -0.040 0.000 1.092 267 L CA 1.361 56.165 54.840 -0.060 0.000 0.759 267 L CB -0.724 41.306 42.059 -0.049 0.000 0.903 267 L HN 0.332 nan 8.230 nan 0.000 0.435 268 D N 0.059 120.432 120.400 -0.044 0.000 2.378 268 D HA -0.085 4.545 4.640 -0.017 0.000 0.222 268 D C 2.112 178.401 176.300 -0.018 0.000 0.980 268 D CA 0.517 54.501 54.000 -0.027 0.000 0.907 268 D CB -0.023 40.761 40.800 -0.027 0.000 0.899 268 D HN 0.214 nan 8.370 nan 0.000 0.527 269 R N 0.280 120.767 120.500 -0.022 0.000 2.237 269 R HA -0.018 4.312 4.340 -0.017 0.000 0.219 269 R C 1.407 177.709 176.300 0.004 0.000 1.080 269 R CA 0.474 56.569 56.100 -0.007 0.000 0.995 269 R CB -0.003 30.292 30.300 -0.009 0.000 0.875 269 R HN 0.124 nan 8.270 nan 0.000 0.462 270 N N 0.762 119.463 118.700 0.001 0.000 2.364 270 N HA -0.118 4.612 4.740 -0.017 0.000 0.183 270 N C 1.617 177.132 175.510 0.008 0.000 1.022 270 N CA 0.924 53.980 53.050 0.010 0.000 0.883 270 N CB -0.060 38.433 38.487 0.009 0.000 0.965 270 N HN 0.258 nan 8.380 nan 0.000 0.438 271 L N 0.241 121.466 121.223 0.003 0.000 2.093 271 L HA -0.078 4.252 4.340 -0.017 0.000 0.208 271 L C 2.306 179.172 176.870 -0.007 0.000 1.085 271 L CA 1.067 55.907 54.840 -0.000 0.000 0.755 271 L CB -0.400 41.659 42.059 -0.000 0.000 0.904 271 L HN 0.129 nan 8.230 nan 0.000 0.435 272 A N -0.099 122.722 122.820 0.001 0.000 1.898 272 A HA -0.140 4.170 4.320 -0.017 0.000 0.214 272 A C 2.061 179.627 177.584 -0.029 0.000 1.183 272 A CA 0.994 53.029 52.037 -0.004 0.000 0.622 272 A CB -0.291 18.727 19.000 0.031 0.000 0.824 272 A HN 0.411 nan 8.150 nan 0.000 0.444 273 E N 0.316 120.513 120.200 -0.004 0.000 2.418 273 E HA -0.106 4.234 4.350 -0.017 0.000 0.197 273 E C 1.038 177.636 176.600 -0.003 0.000 1.026 273 E CA 0.374 56.775 56.400 0.001 0.000 0.862 273 E CB -0.143 29.578 29.700 0.034 0.000 0.799 273 E HN 0.456 nan 8.360 nan 0.000 0.518 274 N N 0.847 119.543 118.700 -0.006 0.000 2.381 274 N HA -0.081 4.649 4.740 -0.017 0.000 0.182 274 N C 1.574 177.083 175.510 -0.002 0.000 1.025 274 N CA 0.604 53.663 53.050 0.014 0.000 0.888 274 N CB -0.014 38.479 38.487 0.009 0.000 0.965 274 N HN 0.244 nan 8.380 nan 0.000 0.438 275 I N 0.351 120.868 120.570 -0.089 0.000 2.264 275 I HA -0.234 3.926 4.170 -0.017 0.000 0.248 275 I C 1.203 177.276 176.117 -0.075 0.000 1.111 275 I CA 1.188 62.399 61.300 -0.148 0.000 1.382 275 I CB -0.119 37.645 38.000 -0.393 0.000 1.060 275 I HN 0.118 nan 8.210 nan 0.000 0.418 276 S N -0.685 114.975 115.700 -0.067 0.000 2.561 276 S HA 0.221 4.681 4.470 -0.017 0.000 0.245 276 S C 1.360 176.081 174.600 0.201 0.000 1.001 276 S CA -0.613 57.624 58.200 0.061 0.000 1.002 276 S CB 0.302 63.528 63.200 0.042 0.000 0.805 276 S HN 0.208 nan 8.310 nan 0.000 0.458 277 R N 1.135 121.761 120.500 0.209 0.000 2.075 277 R HA 0.304 4.634 4.340 -0.017 0.000 0.226 277 R C 0.369 176.912 176.300 0.405 0.000 1.114 277 R CA 1.055 57.324 56.100 0.282 0.000 0.972 277 R CB -0.125 30.302 30.300 0.212 0.000 0.869 277 R HN 0.396 nan 8.270 nan 0.000 0.437 278 V N 0.334 120.435 119.914 0.311 0.000 2.932 278 V HA 0.354 4.464 4.120 -0.017 0.000 0.307 278 V C -1.622 174.413 176.094 -0.097 0.000 1.147 278 V CA -1.372 61.035 62.300 0.178 0.000 0.951 278 V CB 1.804 33.655 31.823 0.047 0.000 1.031 278 V HN 0.151 nan 8.190 nan 0.000 0.426 279 L N 6.491 127.422 121.223 -0.487 0.000 2.410 279 L HA 0.455 4.785 4.340 -0.017 0.000 0.273 279 L C -0.813 175.871 176.870 -0.309 0.000 1.144 279 L CA 0.469 54.800 54.840 -0.850 0.000 0.863 279 L CB 0.424 41.923 42.059 -0.932 0.000 1.140 279 L HN 0.682 nan 8.230 nan 0.000 0.463 280 Y N 7.008 127.229 120.300 -0.133 0.000 2.569 280 Y HA 0.184 4.724 4.550 -0.017 0.000 0.332 280 Y C -1.339 174.565 175.900 0.007 0.000 1.120 280 Y CA -1.121 56.975 58.100 -0.008 0.000 1.416 280 Y CB 0.422 38.903 38.460 0.036 0.000 1.210 280 Y HN 0.581 nan 8.280 nan 0.000 0.528 281 P HA 0.012 nan 4.420 nan 0.000 0.249 281 P C -1.200 176.245 177.300 0.243 0.000 1.593 281 P CA 0.118 63.338 63.100 0.201 0.000 0.896 281 P CB -0.264 31.631 31.700 0.323 0.000 1.581 282 N N 0.756 119.610 118.700 0.257 0.000 2.438 282 N HA 0.295 5.025 4.740 -0.017 0.000 0.282 282 N C -0.749 174.930 175.510 0.283 0.000 1.037 282 N CA -0.508 52.718 53.050 0.294 0.000 0.942 282 N CB 0.823 39.526 38.487 0.361 0.000 1.136 282 N HN -0.030 nan 8.380 nan 0.000 0.481 283 D N 1.137 121.735 120.400 0.330 0.000 2.408 283 D HA 0.222 4.852 4.640 -0.017 0.000 0.243 283 D C -0.649 175.943 176.300 0.487 0.000 1.075 283 D CA -0.491 53.730 54.000 0.368 0.000 0.832 283 D CB 0.413 41.449 40.800 0.394 0.000 1.162 283 D HN 0.411 nan 8.370 nan 0.000 0.515 284 N N 3.057 121.971 118.700 0.356 0.000 2.714 284 N HA -0.247 4.483 4.740 -0.017 0.000 0.253 284 N C -1.405 174.349 175.510 0.408 0.000 1.024 284 N CA 0.784 54.011 53.050 0.295 0.000 0.726 284 N CB -0.796 37.791 38.487 0.166 0.000 0.908 284 N HN 0.412 nan 8.380 nan 0.000 0.542 285 F N 0.726 120.790 119.950 0.190 0.000 2.651 285 F HA 0.378 4.895 4.527 -0.017 0.000 0.327 285 F C -1.637 174.248 175.800 0.141 0.000 1.133 285 F CA -1.125 56.958 58.000 0.138 0.000 1.076 285 F CB 0.674 39.724 39.000 0.084 0.000 1.315 285 F HN -0.050 nan 8.300 nan 0.000 0.499 286 F N 6.035 125.462 119.950 -0.871 0.000 2.411 286 F HA 0.526 5.043 4.527 -0.017 0.000 0.355 286 F C -0.470 174.788 175.800 -0.902 0.000 1.117 286 F CA -0.249 57.324 58.000 -0.711 0.000 1.139 286 F CB 0.904 39.583 39.000 -0.535 0.000 1.120 286 F HN 0.601 nan 8.300 nan 0.000 0.493 287 E N 3.904 123.400 120.200 -1.172 0.000 2.145 287 E HA 0.404 4.744 4.350 -0.017 0.000 0.262 287 E C -0.111 175.686 176.600 -1.339 0.000 0.883 287 E CA -0.705 55.131 56.400 -0.939 0.000 0.748 287 E CB 1.110 30.620 29.700 -0.316 0.000 1.140 287 E HN 0.905 nan 8.360 nan 0.000 0.417 288 G N 5.238 113.182 108.800 -1.427 0.000 3.213 288 G HA2 0.040 3.990 3.960 -0.017 0.000 0.263 288 G HA3 0.040 3.990 3.960 -0.017 0.000 0.263 288 G C -0.118 174.689 174.900 -0.155 0.000 0.829 288 G CA -0.286 44.199 45.100 -1.025 0.000 1.983 288 G HN 0.196 nan 8.290 nan 0.000 0.616 289 K N 0.679 121.021 120.400 -0.096 0.000 2.172 289 K HA 0.153 4.463 4.320 -0.017 0.000 0.276 289 K C 1.059 177.748 176.600 0.149 0.000 1.013 289 K CA -0.572 55.734 56.287 0.031 0.000 0.913 289 K CB 2.106 34.574 32.500 -0.054 0.000 1.055 289 K HN 0.521 nan 8.250 nan 0.000 0.461 290 E N 2.100 122.369 120.200 0.116 0.000 2.118 290 E HA -0.219 4.121 4.350 -0.017 0.000 0.195 290 E C 1.425 178.017 176.600 -0.013 0.000 0.992 290 E CA 0.964 57.381 56.400 0.029 0.000 0.804 290 E CB 0.185 29.908 29.700 0.039 0.000 0.741 290 E HN 0.391 nan 8.360 nan 0.000 0.458 291 L N 1.207 122.473 121.223 0.071 0.000 2.083 291 L HA -0.140 4.190 4.340 -0.017 0.000 0.209 291 L C 2.388 179.347 176.870 0.148 0.000 1.083 291 L CA 1.744 56.652 54.840 0.113 0.000 0.752 291 L CB -0.521 41.686 42.059 0.246 0.000 0.899 291 L HN 0.010 nan 8.230 nan 0.000 0.433 292 R N -0.639 119.910 120.500 0.081 0.000 2.092 292 R HA -0.132 4.198 4.340 -0.017 0.000 0.231 292 R C 2.076 178.413 176.300 0.062 0.000 1.119 292 R CA 1.675 57.792 56.100 0.028 0.000 0.970 292 R CB -0.946 29.169 30.300 -0.308 0.000 0.864 292 R HN 0.401 nan 8.270 nan 0.000 0.440 293 L N 0.779 121.923 121.223 -0.133 0.000 2.093 293 L HA -0.033 4.297 4.340 -0.017 0.000 0.208 293 L C 1.672 178.458 176.870 -0.140 0.000 1.085 293 L CA 1.870 56.435 54.840 -0.459 0.000 0.755 293 L CB -0.387 41.109 42.059 -0.937 0.000 0.904 293 L HN 0.138 nan 8.230 nan 0.000 0.435 294 K N -0.976 119.372 120.400 -0.086 0.000 2.057 294 K HA -0.191 4.119 4.320 -0.017 0.000 0.207 294 K C 2.116 178.849 176.600 0.222 0.000 1.049 294 K CA 1.744 58.023 56.287 -0.012 0.000 0.931 294 K CB -0.184 32.111 32.500 -0.342 0.000 0.714 294 K HN 0.475 nan 8.250 nan 0.000 0.440 295 Q N 0.675 120.581 119.800 0.176 0.000 2.061 295 Q HA -0.218 4.112 4.340 -0.017 0.000 0.204 295 Q C 1.971 178.163 176.000 0.319 0.000 0.984 295 Q CA 1.675 57.643 55.803 0.275 0.000 0.846 295 Q CB -0.033 28.893 28.738 0.313 0.000 0.902 295 Q HN 0.381 nan 8.270 nan 0.000 0.421 296 E N -0.348 119.996 120.200 0.241 0.000 2.051 296 E HA -0.217 4.123 4.350 -0.017 0.000 0.192 296 E C 1.771 178.485 176.600 0.191 0.000 0.991 296 E CA 1.094 57.622 56.400 0.213 0.000 0.799 296 E CB -0.194 29.609 29.700 0.173 0.000 0.748 296 E HN 0.338 nan 8.360 nan 0.000 0.449 297 Y N 0.540 120.892 120.300 0.086 0.000 2.242 297 Y HA -0.212 4.328 4.550 -0.017 0.000 0.291 297 Y C 1.955 177.901 175.900 0.078 0.000 1.137 297 Y CA 0.953 59.067 58.100 0.023 0.000 1.181 297 Y CB -0.354 38.106 38.460 -0.000 0.000 0.989 297 Y HN 0.017 nan 8.280 nan 0.000 0.527 298 F N -0.260 119.676 119.950 -0.024 0.000 2.043 298 F HA -0.250 4.267 4.527 -0.017 0.000 0.297 298 F C 2.539 178.179 175.800 -0.267 0.000 1.121 298 F CA 2.107 60.040 58.000 -0.112 0.000 1.199 298 F CB -1.165 37.917 39.000 0.137 0.000 0.968 298 F HN -0.067 nan 8.300 nan 0.000 0.478 299 V N -0.299 119.572 119.914 -0.071 0.000 2.343 299 V HA -0.215 3.895 4.120 -0.017 0.000 0.247 299 V C 2.201 178.139 176.094 -0.260 0.000 1.051 299 V CA 2.078 64.299 62.300 -0.132 0.000 1.036 299 V CB -0.532 31.417 31.823 0.210 0.000 0.654 299 V HN 0.272 nan 8.190 nan 0.000 0.451 300 V N 0.566 120.348 119.914 -0.221 0.000 2.261 300 V HA -0.205 3.905 4.120 -0.017 0.000 0.246 300 V C 2.874 178.717 176.094 -0.418 0.000 1.047 300 V CA 2.299 64.455 62.300 -0.241 0.000 1.015 300 V CB -1.212 30.536 31.823 -0.125 0.000 0.642 300 V HN 0.672 nan 8.190 nan 0.000 0.446 301 A N -0.247 122.158 122.820 -0.692 0.000 1.877 301 A HA -0.118 4.192 4.320 -0.017 0.000 0.216 301 A C 2.396 179.611 177.584 -0.614 0.000 1.186 301 A CA 2.186 53.820 52.037 -0.671 0.000 0.620 301 A CB -0.816 17.593 19.000 -0.985 0.000 0.822 301 A HN 0.578 nan 8.150 nan 0.000 0.443 302 A N -1.145 121.139 122.820 -0.894 0.000 1.898 302 A HA -0.054 4.256 4.320 -0.017 0.000 0.216 302 A C 2.314 179.399 177.584 -0.833 0.000 1.181 302 A CA 2.247 53.567 52.037 -1.194 0.000 0.620 302 A CB -1.288 16.300 19.000 -2.352 0.000 0.819 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.312 114.493 114.554 -0.622 0.000 2.652 303 T HA -0.136 4.204 4.350 -0.017 0.000 0.267 303 T C 1.735 176.150 174.700 -0.475 0.000 1.039 303 T CA 1.693 63.525 62.100 -0.446 0.000 1.153 303 T CB -0.348 68.263 68.868 -0.428 0.000 0.863 303 T HN 0.208 nan 8.240 nan 0.000 0.428 304 L N 1.048 122.052 121.223 -0.364 0.000 2.141 304 L HA -0.032 4.298 4.340 -0.017 0.000 0.209 304 L C 2.620 179.373 176.870 -0.194 0.000 1.094 304 L CA 1.520 56.203 54.840 -0.261 0.000 0.763 304 L CB -0.779 41.172 42.059 -0.179 0.000 0.908 304 L HN 0.306 nan 8.230 nan 0.000 0.437 305 Q N -0.949 118.728 119.800 -0.204 0.000 2.050 305 Q HA -0.241 4.089 4.340 -0.017 0.000 0.202 305 Q C 1.838 177.793 176.000 -0.075 0.000 0.980 305 Q CA 1.661 57.392 55.803 -0.120 0.000 0.840 305 Q CB -0.151 28.500 28.738 -0.144 0.000 0.898 305 Q HN 0.417 nan 8.270 nan 0.000 0.424 306 D N 0.512 120.855 120.400 -0.095 0.000 2.123 306 D HA -0.127 4.503 4.640 -0.017 0.000 0.196 306 D C 1.665 177.898 176.300 -0.112 0.000 0.992 306 D CA 0.937 54.924 54.000 -0.021 0.000 0.833 306 D CB -0.051 40.834 40.800 0.142 0.000 0.954 306 D HN 0.168 nan 8.370 nan 0.000 0.455 307 I N 0.095 120.498 120.570 -0.280 0.000 2.179 307 I HA -0.230 3.930 4.170 -0.017 0.000 0.242 307 I C 2.261 178.384 176.117 0.009 0.000 1.088 307 I CA 0.746 61.825 61.300 -0.368 0.000 1.357 307 I CB -0.112 37.535 38.000 -0.589 0.000 1.051 307 I HN 0.057 nan 8.210 nan 0.000 0.409 308 I N 0.133 120.774 120.570 0.119 0.000 2.315 308 I HA -0.259 3.901 4.170 -0.017 0.000 0.248 308 I C 2.764 179.056 176.117 0.292 0.000 1.117 308 I CA 0.975 62.473 61.300 0.331 0.000 1.404 308 I CB -0.403 37.734 38.000 0.230 0.000 1.071 308 I HN 0.206 nan 8.210 nan 0.000 0.419 309 R N 1.363 121.948 120.500 0.142 0.000 2.070 309 R HA -0.210 4.120 4.340 -0.017 0.000 0.232 309 R C 2.519 178.879 176.300 0.100 0.000 1.138 309 R CA 1.703 57.862 56.100 0.100 0.000 0.936 309 R CB -0.293 30.033 30.300 0.044 0.000 0.839 309 R HN 0.169 nan 8.270 nan 0.000 0.429 310 R N -0.486 120.062 120.500 0.079 0.000 2.105 310 R HA -0.194 4.136 4.340 -0.017 0.000 0.239 310 R C 2.181 178.572 176.300 0.152 0.000 1.135 310 R CA 1.884 58.032 56.100 0.080 0.000 0.967 310 R CB -0.398 29.930 30.300 0.047 0.000 0.861 310 R HN 0.332 nan 8.270 nan 0.000 0.442 311 F N 1.156 121.139 119.950 0.056 0.000 2.186 311 F HA -0.071 4.446 4.527 -0.017 0.000 0.299 311 F C 1.742 177.565 175.800 0.038 0.000 1.090 311 F CA 1.423 59.459 58.000 0.060 0.000 1.307 311 F CB 0.022 39.114 39.000 0.153 0.000 1.019 311 F HN -0.146 nan 8.300 nan 0.000 0.489 312 K N 0.401 120.815 120.400 0.023 0.000 2.148 312 K HA -0.030 4.280 4.320 -0.017 0.000 0.204 312 K C 0.946 177.470 176.600 -0.127 0.000 1.050 312 K CA 1.061 57.261 56.287 -0.146 0.000 0.942 312 K CB -0.137 32.372 32.500 0.015 0.000 0.724 312 K HN 0.348 nan 8.250 nan 0.000 0.446 326 F N 1.941 121.982 119.950 0.152 0.000 2.695 326 F HA 0.337 4.854 4.527 -0.017 0.000 0.303 326 F C 1.371 177.237 175.800 0.110 0.000 1.091 326 F CA -0.118 57.954 58.000 0.119 0.000 1.300 326 F CB 0.342 39.287 39.000 -0.092 0.000 1.071 326 F HN 0.138 nan 8.300 nan 0.000 0.578 327 D N 0.603 121.139 120.400 0.227 0.000 2.149 327 D HA -0.154 4.476 4.640 -0.017 0.000 0.198 327 D C 2.200 178.598 176.300 0.163 0.000 0.990 327 D CA 1.348 55.444 54.000 0.159 0.000 0.839 327 D CB -0.070 40.797 40.800 0.111 0.000 0.948 327 D HN 0.243 nan 8.370 nan 0.000 0.460 328 A N -0.742 122.202 122.820 0.205 0.000 2.251 328 A HA 0.056 4.366 4.320 -0.017 0.000 0.209 328 A C 1.653 179.376 177.584 0.230 0.000 1.187 328 A CA -0.277 51.880 52.037 0.200 0.000 0.823 328 A CB -0.602 18.515 19.000 0.194 0.000 0.846 328 A HN 0.112 nan 8.150 nan 0.000 0.486 329 F N 2.116 122.066 119.950 0.001 0.000 2.065 329 F HA -0.132 4.386 4.527 -0.016 0.000 0.298 329 F C -0.779 174.942 175.800 -0.131 0.000 1.112 329 F CA 2.389 60.210 58.000 -0.298 0.000 1.212 329 F CB -0.753 38.078 39.000 -0.281 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.075 nan 4.420 nan 0.000 0.230 330 P C 0.713 177.984 177.300 -0.048 0.000 1.158 330 P CA 1.362 64.446 63.100 -0.027 0.000 0.769 330 P CB -0.070 31.635 31.700 0.009 0.000 0.807 331 D N -0.620 119.771 120.400 -0.015 0.000 2.289 331 D HA -0.029 4.601 4.640 -0.017 0.000 0.207 331 D C 1.501 177.791 176.300 -0.015 0.000 0.966 331 D CA 0.908 54.907 54.000 -0.001 0.000 0.868 331 D CB 0.068 40.887 40.800 0.032 0.000 0.943 331 D HN 0.165 nan 8.370 nan 0.000 0.514 332 K N -0.091 120.283 120.400 -0.043 0.000 2.360 332 K HA 0.221 4.531 4.320 -0.017 0.000 0.196 332 K C 0.113 176.625 176.600 -0.147 0.000 1.049 332 K CA 0.086 56.350 56.287 -0.038 0.000 1.049 332 K CB 2.081 34.662 32.500 0.136 0.000 0.881 332 K HN -0.050 nan 8.250 nan 0.000 0.542 333 V N 0.911 120.657 119.914 -0.279 0.000 2.760 333 V HA 0.673 4.783 4.120 -0.017 0.000 0.309 333 V C -1.155 174.857 176.094 -0.138 0.000 1.077 333 V CA -1.285 60.847 62.300 -0.279 0.000 0.910 333 V CB 1.929 33.305 31.823 -0.745 0.000 1.008 333 V HN 0.147 nan 8.190 nan 0.000 0.424 334 A N 5.165 127.952 122.820 -0.054 0.000 2.374 334 A HA 0.927 5.237 4.320 -0.017 0.000 0.305 334 A C -1.121 176.508 177.584 0.075 0.000 1.053 334 A CA -0.425 51.623 52.037 0.019 0.000 0.726 334 A CB 1.129 20.082 19.000 -0.078 0.000 1.229 334 A HN 0.764 nan 8.150 nan 0.000 0.431 335 I N 1.916 122.579 120.570 0.154 0.000 2.411 335 I HA 0.301 4.460 4.170 -0.017 0.000 0.284 335 I C -0.361 175.872 176.117 0.193 0.000 1.012 335 I CA -0.510 60.894 61.300 0.174 0.000 1.119 335 I CB 1.973 40.052 38.000 0.131 0.000 1.261 335 I HN 0.714 nan 8.210 nan 0.000 0.448 336 Q N 6.923 126.846 119.800 0.205 0.000 2.314 336 Q HA 0.516 4.846 4.340 -0.017 0.000 0.259 336 Q C -1.368 174.658 176.000 0.044 0.000 0.951 336 Q CA -0.252 55.699 55.803 0.247 0.000 0.909 336 Q CB 1.298 30.323 28.738 0.479 0.000 1.236 336 Q HN 0.574 nan 8.270 nan 0.000 0.444 337 L N 3.812 125.092 121.223 0.096 0.000 2.255 337 L HA 0.407 4.737 4.340 -0.017 0.000 0.289 337 L C 0.049 176.966 176.870 0.079 0.000 1.046 337 L CA -0.785 54.098 54.840 0.072 0.000 0.816 337 L CB 0.632 42.776 42.059 0.140 0.000 1.197 337 L HN 0.559 nan 8.230 nan 0.000 0.427 338 N N 4.563 123.224 118.700 -0.065 0.000 2.421 338 N HA 0.045 4.775 4.740 -0.017 0.000 0.260 338 N C -0.110 175.444 175.510 0.074 0.000 1.173 338 N CA 0.590 53.656 53.050 0.027 0.000 0.960 338 N CB -0.104 38.303 38.487 -0.133 0.000 1.273 338 N HN 0.642 nan 8.380 nan 0.000 0.497 339 D N 0.033 120.577 120.400 0.239 0.000 4.808 339 D HA -0.221 4.409 4.640 -0.017 0.000 0.304 339 D C 0.265 176.675 176.300 0.184 0.000 2.360 339 D CA 1.474 55.584 54.000 0.184 0.000 1.222 339 D CB -0.474 40.112 40.800 -0.358 0.000 1.085 339 D HN 0.520 nan 8.370 nan 0.000 1.266 340 T N -2.258 112.345 114.554 0.082 0.000 3.129 340 T HA 0.088 4.428 4.350 -0.017 0.000 0.251 340 T C 1.650 176.452 174.700 0.170 0.000 1.117 340 T CA 1.456 63.582 62.100 0.042 0.000 1.034 340 T CB -0.495 68.353 68.868 -0.034 0.000 0.968 340 T HN 0.494 nan 8.240 nan 0.000 0.526 341 H N 2.697 121.866 119.070 0.165 0.000 2.321 341 H HA -0.040 4.506 4.556 -0.017 0.000 0.295 341 H C -0.783 174.642 175.328 0.161 0.000 1.102 341 H CA 1.269 57.429 56.048 0.186 0.000 1.266 341 H CB -0.852 29.019 29.762 0.182 0.000 1.363 341 H HN 0.439 nan 8.280 nan 0.000 0.492 342 P HA 0.076 nan 4.420 nan 0.000 0.259 342 P C 0.750 178.105 177.300 0.091 0.000 1.530 342 P CA 0.394 63.586 63.100 0.152 0.000 1.022 342 P CB 0.309 32.088 31.700 0.132 0.000 1.514 343 S N -0.142 115.604 115.700 0.077 0.000 2.440 343 S HA -0.137 4.323 4.470 -0.017 0.000 0.238 343 S C 1.788 176.397 174.600 0.015 0.000 1.010 343 S CA 0.762 58.966 58.200 0.007 0.000 0.972 343 S CB -1.521 61.651 63.200 -0.048 0.000 0.774 343 S HN 0.149 nan 8.310 nan 0.000 0.501 344 L N 0.974 122.220 121.223 0.038 0.000 2.549 344 L HA -0.010 4.320 4.340 -0.017 0.000 0.230 344 L C 2.881 179.790 176.870 0.065 0.000 1.162 344 L CA 0.651 55.513 54.840 0.037 0.000 0.834 344 L CB -0.707 41.372 42.059 0.033 0.000 0.947 344 L HN 0.494 nan 8.230 nan 0.000 0.452 345 A N 0.268 123.112 122.820 0.039 0.000 2.019 345 A HA -0.175 4.135 4.320 -0.017 0.000 0.219 345 A C 2.163 179.756 177.584 0.016 0.000 1.164 345 A CA 1.344 53.392 52.037 0.019 0.000 0.644 345 A CB -0.408 18.596 19.000 0.006 0.000 0.805 345 A HN 0.377 nan 8.150 nan 0.000 0.449 346 I N 0.265 120.847 120.570 0.020 0.000 2.133 346 I HA -0.127 4.033 4.170 -0.017 0.000 0.238 346 I C -0.374 175.777 176.117 0.057 0.000 1.074 346 I CA 1.410 62.723 61.300 0.022 0.000 1.342 346 I CB -0.835 37.187 38.000 0.036 0.000 1.053 346 I HN 0.233 nan 8.210 nan 0.000 0.404 347 P HA -0.166 nan 4.420 nan 0.000 0.221 347 P C 1.268 178.602 177.300 0.055 0.000 1.150 347 P CA 1.460 64.604 63.100 0.074 0.000 0.800 347 P CB 0.042 31.803 31.700 0.102 0.000 0.787 348 E N 0.360 120.654 120.200 0.157 0.000 2.072 348 E HA -0.147 4.193 4.350 -0.017 0.000 0.191 348 E C 1.914 178.509 176.600 -0.010 0.000 0.985 348 E CA 0.683 57.190 56.400 0.178 0.000 0.801 348 E CB -1.231 28.617 29.700 0.247 0.000 0.750 348 E HN 0.014 nan 8.360 nan 0.000 0.452 349 L N -0.102 121.087 121.223 -0.056 0.000 2.083 349 L HA -0.062 4.268 4.340 -0.017 0.000 0.209 349 L C 2.036 178.771 176.870 -0.226 0.000 1.083 349 L CA 1.645 56.393 54.840 -0.152 0.000 0.752 349 L CB -0.439 41.537 42.059 -0.138 0.000 0.899 349 L HN 0.230 nan 8.230 nan 0.000 0.433 350 M N -0.793 118.692 119.600 -0.192 0.000 2.132 350 M HA -0.161 4.309 4.480 -0.017 0.000 0.263 350 M C 2.424 178.554 176.300 -0.284 0.000 1.065 350 M CA 1.441 56.567 55.300 -0.289 0.000 1.122 350 M CB -1.081 31.331 32.600 -0.313 0.000 1.365 350 M HN 0.337 nan 8.290 nan 0.000 0.411 351 R N -0.017 120.346 120.500 -0.227 0.000 2.083 351 R HA -0.135 4.195 4.340 -0.017 0.000 0.237 351 R C 2.055 178.249 176.300 -0.176 0.000 1.137 351 R CA 1.710 57.679 56.100 -0.219 0.000 0.951 351 R CB -0.233 29.888 30.300 -0.297 0.000 0.851 351 R HN 0.185 nan 8.270 nan 0.000 0.434 352 V N 1.509 121.319 119.914 -0.173 0.000 2.261 352 V HA -0.268 3.842 4.120 -0.017 0.000 0.246 352 V C 2.450 178.384 176.094 -0.266 0.000 1.047 352 V CA 1.849 64.041 62.300 -0.181 0.000 1.015 352 V CB -0.435 31.278 31.823 -0.183 0.000 0.642 352 V HN 0.350 nan 8.190 nan 0.000 0.446 353 L N -0.629 120.365 121.223 -0.382 0.000 2.017 353 L HA -0.155 4.175 4.340 -0.017 0.000 0.208 353 L C 2.402 179.093 176.870 -0.299 0.000 1.073 353 L CA 1.255 55.803 54.840 -0.485 0.000 0.745 353 L CB -0.649 41.067 42.059 -0.572 0.000 0.894 353 L HN 0.210 nan 8.230 nan 0.000 0.432 354 V N -0.481 119.294 119.914 -0.233 0.000 2.273 354 V HA -0.204 3.906 4.120 -0.017 0.000 0.242 354 V C 2.012 178.067 176.094 -0.066 0.000 1.035 354 V CA 1.793 64.020 62.300 -0.123 0.000 1.013 354 V CB -0.420 31.349 31.823 -0.090 0.000 0.652 354 V HN 0.358 nan 8.190 nan 0.000 0.452 355 D N -0.026 120.331 120.400 -0.072 0.000 2.149 355 D HA -0.042 4.588 4.640 -0.017 0.000 0.201 355 D C 2.018 178.294 176.300 -0.039 0.000 0.972 355 D CA 1.212 55.187 54.000 -0.041 0.000 0.835 355 D CB 0.016 40.788 40.800 -0.046 0.000 0.966 355 D HN 0.342 nan 8.370 nan 0.000 0.476 356 L N 0.133 121.318 121.223 -0.063 0.000 2.349 356 L HA 0.115 4.445 4.340 -0.017 0.000 0.200 356 L C 1.803 178.652 176.870 -0.034 0.000 1.064 356 L CA 0.459 55.273 54.840 -0.044 0.000 0.821 356 L CB -0.016 42.015 42.059 -0.047 0.000 1.027 356 L HN -0.185 nan 8.230 nan 0.000 0.476 357 E N 0.532 120.685 120.200 -0.077 0.000 2.489 357 E HA 0.022 4.362 4.350 -0.017 0.000 0.193 357 E C -0.025 176.566 176.600 -0.015 0.000 1.057 357 E CA -0.074 56.305 56.400 -0.034 0.000 0.866 357 E CB 0.222 29.832 29.700 -0.149 0.000 0.916 357 E HN 0.198 nan 8.360 nan 0.000 0.500 358 R N 0.531 121.010 120.500 -0.035 0.000 3.333 358 R HA -0.181 4.149 4.340 -0.017 0.000 0.256 358 R C -0.042 176.257 176.300 -0.001 0.000 1.010 358 R CA 0.493 56.588 56.100 -0.008 0.000 0.680 358 R CB -2.777 27.533 30.300 0.017 0.000 1.102 358 R HN 0.239 nan 8.270 nan 0.000 0.440 359 L N 0.682 121.881 121.223 -0.040 0.000 2.439 359 L HA 0.266 4.596 4.340 -0.017 0.000 0.259 359 L C 1.477 178.351 176.870 0.006 0.000 1.129 359 L CA -0.544 54.283 54.840 -0.022 0.000 0.803 359 L CB 0.595 42.602 42.059 -0.087 0.000 1.161 359 L HN 0.169 nan 8.230 nan 0.000 0.462 360 D N 0.152 120.578 120.400 0.042 0.000 2.357 360 D HA -0.112 4.518 4.640 -0.017 0.000 0.242 360 D C 0.740 177.115 176.300 0.125 0.000 1.153 360 D CA -0.504 53.553 54.000 0.095 0.000 0.918 360 D CB 1.334 42.192 40.800 0.097 0.000 1.181 360 D HN 0.646 nan 8.370 nan 0.000 0.435 361 W N 2.385 123.694 121.300 0.014 0.000 2.315 361 W HA -0.229 4.421 4.660 -0.017 0.000 0.323 361 W C 1.228 177.799 176.519 0.086 0.000 1.233 361 W CA 1.885 59.246 57.345 0.027 0.000 1.267 361 W CB -0.323 29.133 29.460 -0.007 0.000 1.160 361 W HN 0.524 nan 8.180 nan 0.000 0.474 362 D N 0.274 120.887 120.400 0.355 0.000 2.123 362 D HA -0.226 4.404 4.640 -0.017 0.000 0.196 362 D C 1.842 178.250 176.300 0.180 0.000 0.992 362 D CA 2.075 56.251 54.000 0.294 0.000 0.833 362 D CB -0.512 40.427 40.800 0.231 0.000 0.954 362 D HN 0.130 nan 8.370 nan 0.000 0.455 363 K N 1.270 121.734 120.400 0.107 0.000 2.057 363 K HA -0.025 4.285 4.320 -0.017 0.000 0.206 363 K C 1.867 178.463 176.600 -0.007 0.000 1.050 363 K CA 1.463 57.783 56.287 0.056 0.000 0.935 363 K CB -0.420 32.109 32.500 0.049 0.000 0.715 363 K HN 0.016 nan 8.250 nan 0.000 0.439 364 A N 0.481 123.258 122.820 -0.072 0.000 1.898 364 A HA -0.159 4.151 4.320 -0.017 0.000 0.216 364 A C 2.238 179.732 177.584 -0.149 0.000 1.181 364 A CA 1.351 53.273 52.037 -0.191 0.000 0.620 364 A CB -1.199 17.618 19.000 -0.304 0.000 0.819 364 A HN 0.691 nan 8.150 nan 0.000 0.442 365 W N 0.790 121.898 121.300 -0.321 0.000 2.358 365 W HA -0.181 4.469 4.660 -0.016 0.000 0.303 365 W C 1.998 178.471 176.519 -0.077 0.000 1.208 365 W CA 1.834 59.042 57.345 -0.227 0.000 1.274 365 W CB -0.071 29.300 29.460 -0.147 0.000 1.138 365 W HN 0.629 nan 8.180 nan 0.000 0.515 366 E N 0.120 120.301 120.200 -0.032 0.000 2.110 366 E HA -0.212 4.128 4.350 -0.017 0.000 0.193 366 E C 2.000 178.521 176.600 -0.130 0.000 0.988 366 E CA 1.741 58.093 56.400 -0.080 0.000 0.804 366 E CB -0.321 29.394 29.700 0.025 0.000 0.745 366 E HN 0.062 nan 8.360 nan 0.000 0.458 367 V N 0.791 120.641 119.914 -0.107 0.000 2.307 367 V HA -0.236 3.874 4.120 -0.017 0.000 0.245 367 V C 2.388 178.414 176.094 -0.113 0.000 1.045 367 V CA 2.155 64.411 62.300 -0.073 0.000 1.024 367 V CB -0.716 31.053 31.823 -0.090 0.000 0.651 367 V HN 0.396 nan 8.190 nan 0.000 0.449 368 T N 0.127 114.538 114.554 -0.237 0.000 2.684 368 T HA -0.186 4.154 4.350 -0.017 0.000 0.267 368 T C 1.937 176.447 174.700 -0.316 0.000 1.036 368 T CA 1.811 63.741 62.100 -0.282 0.000 1.148 368 T CB -0.303 68.329 68.868 -0.393 0.000 0.863 368 T HN 0.280 nan 8.240 nan 0.000 0.436 369 V N 1.237 120.845 119.914 -0.511 0.000 2.343 369 V HA -0.153 3.957 4.120 -0.017 0.000 0.247 369 V C 2.338 178.403 176.094 -0.048 0.000 1.051 369 V CA 1.619 63.697 62.300 -0.370 0.000 1.036 369 V CB -0.494 31.048 31.823 -0.469 0.000 0.654 369 V HN 0.425 nan 8.190 nan 0.000 0.451 370 K N -0.368 119.983 120.400 -0.081 0.000 2.362 370 K HA -0.078 4.232 4.320 -0.017 0.000 0.200 370 K C 2.036 178.631 176.600 -0.009 0.000 1.046 370 K CA 1.472 57.699 56.287 -0.100 0.000 0.952 370 K CB -0.181 32.252 32.500 -0.112 0.000 0.753 370 K HN 0.479 nan 8.250 nan 0.000 0.466 371 T N -0.161 114.442 114.554 0.081 0.000 3.010 371 T HA 0.048 4.388 4.350 -0.017 0.000 0.252 371 T C 0.785 175.607 174.700 0.204 0.000 1.047 371 T CA 0.311 62.490 62.100 0.131 0.000 1.140 371 T CB 0.127 69.086 68.868 0.151 0.000 0.885 371 T HN 0.155 nan 8.240 nan 0.000 0.464 372 C N 2.327 121.724 119.300 0.162 0.000 2.370 372 C HA 0.898 5.348 4.460 -0.017 0.000 0.354 372 C C 0.542 175.555 174.990 0.039 0.000 1.218 372 C CA -1.289 57.794 59.018 0.109 0.000 2.154 372 C CB 0.185 27.934 27.740 0.015 0.000 2.391 372 C HN 0.582 nan 8.230 nan 0.000 0.540 373 A N 1.730 124.576 122.820 0.043 0.000 2.486 373 A HA 0.736 5.046 4.320 -0.017 0.000 0.300 373 A C -1.623 176.026 177.584 0.109 0.000 1.048 373 A CA -0.364 51.643 52.037 -0.050 0.000 0.696 373 A CB 1.083 20.056 19.000 -0.046 0.000 1.278 373 A HN 0.898 nan 8.150 nan 0.000 0.405 374 Y N 1.061 121.310 120.300 -0.084 0.000 2.393 374 Y HA 0.697 5.238 4.550 -0.016 0.000 0.341 374 Y C -0.498 175.396 175.900 -0.009 0.000 0.988 374 Y CA -0.606 57.468 58.100 -0.044 0.000 1.078 374 Y CB 2.066 40.463 38.460 -0.105 0.000 1.203 374 Y HN 0.543 nan 8.280 nan 0.000 0.453 375 T N 7.138 121.508 114.554 -0.306 0.000 2.770 375 T HA 0.237 4.577 4.350 -0.017 0.000 0.283 375 T C -0.756 173.528 174.700 -0.695 0.000 0.988 375 T CA -0.814 61.049 62.100 -0.396 0.000 0.957 375 T CB 0.255 69.115 68.868 -0.014 0.000 0.930 375 T HN 0.680 nan 8.240 nan 0.000 0.443 376 N N 1.817 120.092 118.700 -0.708 0.000 2.498 376 N HA 0.154 4.884 4.740 -0.017 0.000 0.287 376 N C -0.019 175.354 175.510 -0.227 0.000 1.097 376 N CA -0.330 52.514 53.050 -0.344 0.000 0.973 376 N CB 0.818 39.258 38.487 -0.079 0.000 1.153 376 N HN 0.684 nan 8.380 nan 0.000 0.472 377 H N 0.769 119.865 119.070 0.045 0.000 2.923 377 H HA 0.174 4.720 4.556 -0.017 0.000 0.268 377 H C -0.251 174.986 175.328 -0.151 0.000 1.148 377 H CA -0.110 55.904 56.048 -0.057 0.000 1.146 377 H CB 1.091 30.832 29.762 -0.035 0.000 1.607 377 H HN 0.533 nan 8.280 nan 0.000 0.566 378 T N -0.439 114.137 114.554 0.037 0.000 2.827 378 T HA 0.233 4.573 4.350 -0.017 0.000 0.328 378 T C -0.206 174.509 174.700 0.024 0.000 1.598 378 T CA -0.359 61.713 62.100 -0.047 0.000 1.043 378 T CB 1.774 70.611 68.868 -0.051 0.000 1.447 378 T HN -0.122 nan 8.240 nan 0.000 0.491 379 V N 2.818 122.707 119.914 -0.041 0.000 3.605 379 V HA 0.444 4.554 4.120 -0.017 0.000 0.284 379 V C 0.598 176.656 176.094 -0.060 0.000 1.386 379 V CA -0.034 62.238 62.300 -0.047 0.000 1.053 379 V CB 0.065 31.873 31.823 -0.025 0.000 0.857 379 V HN 0.681 nan 8.190 nan 0.000 0.436 380 L N 3.086 124.263 121.223 -0.076 0.000 2.410 380 L HA 0.169 4.499 4.340 -0.017 0.000 0.273 380 L C -0.693 176.173 176.870 -0.005 0.000 1.144 380 L CA -0.992 53.825 54.840 -0.037 0.000 0.863 380 L CB 0.586 42.605 42.059 -0.065 0.000 1.140 380 L HN 0.121 nan 8.230 nan 0.000 0.463 381 P HA -0.221 nan 4.420 nan 0.000 0.216 381 P C 0.951 178.254 177.300 0.006 0.000 1.150 381 P CA 1.292 64.395 63.100 0.005 0.000 0.837 381 P CB 0.053 31.761 31.700 0.013 0.000 0.786 382 E N 0.221 120.451 120.200 0.050 0.000 2.478 382 E HA -0.033 4.307 4.350 -0.017 0.000 0.198 382 E C 1.529 178.132 176.600 0.005 0.000 1.046 382 E CA 0.994 57.429 56.400 0.058 0.000 0.870 382 E CB -0.624 29.196 29.700 0.200 0.000 0.818 382 E HN 0.215 nan 8.360 nan 0.000 0.527 383 A N 1.031 123.869 122.820 0.030 0.000 2.220 383 A HA 0.261 4.571 4.320 -0.017 0.000 0.211 383 A C 1.234 178.819 177.584 0.001 0.000 1.176 383 A CA -0.289 51.776 52.037 0.046 0.000 0.834 383 A CB 0.154 19.197 19.000 0.071 0.000 0.868 383 A HN 0.136 nan 8.150 nan 0.000 0.488 384 L N 1.299 122.479 121.223 -0.073 0.000 2.350 384 L HA 0.220 4.550 4.340 -0.017 0.000 0.275 384 L C -0.188 176.378 176.870 -0.507 0.000 1.099 384 L CA -0.222 54.520 54.840 -0.164 0.000 0.808 384 L CB 1.006 43.006 42.059 -0.097 0.000 1.149 384 L HN 0.365 nan 8.230 nan 0.000 0.442 385 E N 4.057 123.866 120.200 -0.652 0.000 2.223 385 E HA 0.214 4.554 4.350 -0.017 0.000 0.282 385 E C -0.713 175.258 176.600 -1.048 0.000 1.046 385 E CA -0.306 55.275 56.400 -1.365 0.000 0.857 385 E CB 0.712 29.940 29.700 -0.787 0.000 1.055 385 E HN 0.379 nan 8.360 nan 0.000 0.409 386 R N 4.040 123.764 120.500 -1.293 0.000 2.576 386 R HA 0.197 4.527 4.340 -0.017 0.000 0.283 386 R C -1.216 174.862 176.300 -0.370 0.000 1.493 386 R CA -0.585 55.182 56.100 -0.554 0.000 1.170 386 R CB 0.507 30.622 30.300 -0.309 0.000 1.189 386 R HN 0.448 nan 8.270 nan 0.000 0.542 387 W N 3.955 125.194 121.300 -0.102 0.000 2.311 387 W HA 0.260 4.910 4.660 -0.017 0.000 0.310 387 W C -1.928 174.575 176.519 -0.026 0.000 1.274 387 W CA -2.060 55.293 57.345 0.013 0.000 1.215 387 W CB 0.584 30.030 29.460 -0.024 0.000 1.227 387 W HN 0.253 nan 8.180 nan 0.000 0.523 388 P HA -0.116 nan 4.420 nan 0.000 0.264 388 P C 0.877 178.185 177.300 0.013 0.000 1.193 388 P CA 0.217 63.374 63.100 0.094 0.000 0.763 388 P CB 0.730 32.452 31.700 0.036 0.000 0.810 389 V N 2.556 122.512 119.914 0.070 0.000 2.759 389 V HA -0.263 3.847 4.120 -0.017 0.000 0.256 389 V C 1.882 178.002 176.094 0.043 0.000 1.080 389 V CA 2.152 64.480 62.300 0.048 0.000 1.101 389 V CB -1.916 29.980 31.823 0.121 0.000 0.698 389 V HN 0.657 nan 8.190 nan 0.000 0.477 390 H N -0.273 118.855 119.070 0.097 0.000 2.387 390 H HA -0.085 4.461 4.556 -0.017 0.000 0.299 390 H C 1.888 177.265 175.328 0.082 0.000 1.090 390 H CA 2.061 58.162 56.048 0.088 0.000 1.332 390 H CB -0.653 29.161 29.762 0.086 0.000 1.386 390 H HN 0.412 nan 8.280 nan 0.000 0.516 391 L N 0.283 121.141 121.223 -0.609 0.000 2.056 391 L HA 0.004 4.334 4.340 -0.017 0.000 0.207 391 L C 2.275 179.051 176.870 -0.157 0.000 1.078 391 L CA 1.336 55.974 54.840 -0.337 0.000 0.749 391 L CB -0.701 41.161 42.059 -0.328 0.000 0.901 391 L HN 0.442 nan 8.230 nan 0.000 0.433 392 L N -0.658 120.473 121.223 -0.153 0.000 2.109 392 L HA -0.169 4.161 4.340 -0.017 0.000 0.207 392 L C 2.521 179.325 176.870 -0.109 0.000 1.086 392 L CA 1.276 56.017 54.840 -0.165 0.000 0.760 392 L CB -0.477 41.481 42.059 -0.169 0.000 0.910 392 L HN 0.427 nan 8.230 nan 0.000 0.437 393 E N -0.869 119.309 120.200 -0.036 0.000 2.106 393 E HA -0.229 4.111 4.350 -0.017 0.000 0.192 393 E C 1.992 178.625 176.600 0.055 0.000 0.984 393 E CA 1.728 58.135 56.400 0.013 0.000 0.806 393 E CB -0.476 29.270 29.700 0.075 0.000 0.750 393 E HN 0.422 nan 8.360 nan 0.000 0.458 394 T N -0.196 114.415 114.554 0.096 0.000 2.937 394 T HA -0.026 4.314 4.350 -0.017 0.000 0.260 394 T C 1.860 176.682 174.700 0.204 0.000 1.051 394 T CA 0.514 62.724 62.100 0.183 0.000 1.141 394 T CB -0.064 68.945 68.868 0.234 0.000 0.879 394 T HN 0.147 nan 8.240 nan 0.000 0.459 395 L N 0.080 121.317 121.223 0.024 0.000 2.131 395 L HA 0.495 4.825 4.340 -0.017 0.000 0.206 395 L C 0.581 177.387 176.870 -0.107 0.000 1.087 395 L CA 1.436 56.156 54.840 -0.201 0.000 0.767 395 L CB 0.046 41.930 42.059 -0.291 0.000 0.917 395 L HN 0.331 nan 8.230 nan 0.000 0.441 396 L N 0.588 121.721 121.223 -0.151 0.000 2.551 396 L HA 0.295 4.625 4.340 -0.017 0.000 0.248 396 L C -1.692 175.021 176.870 -0.261 0.000 1.509 396 L CA -1.009 53.673 54.840 -0.263 0.000 0.842 396 L CB 0.855 42.607 42.059 -0.512 0.000 1.087 396 L HN -0.078 nan 8.230 nan 0.000 0.512 397 P HA -0.228 nan 4.420 nan 0.000 0.216 397 P C 1.463 178.582 177.300 -0.301 0.000 1.153 397 P CA 1.260 64.256 63.100 -0.175 0.000 0.858 397 P CB 0.378 32.046 31.700 -0.055 0.000 0.789 398 R N -0.359 119.780 120.500 -0.601 0.000 2.115 398 R HA -0.132 4.198 4.340 -0.017 0.000 0.230 398 R C 2.291 178.269 176.300 -0.536 0.000 1.111 398 R CA 1.593 57.329 56.100 -0.607 0.000 0.976 398 R CB -1.611 28.142 30.300 -0.912 0.000 0.870 398 R HN 0.281 nan 8.270 nan 0.000 0.445 399 H N -0.887 117.871 119.070 -0.520 0.000 2.389 399 H HA -0.030 4.516 4.556 -0.017 0.000 0.299 399 H C 1.508 176.661 175.328 -0.291 0.000 1.081 399 H CA 1.463 57.288 56.048 -0.373 0.000 1.345 399 H CB -0.078 29.425 29.762 -0.432 0.000 1.393 399 H HN 0.109 nan 8.280 nan 0.000 0.520 400 L N 0.678 121.778 121.223 -0.206 0.000 2.141 400 L HA -0.139 4.191 4.340 -0.017 0.000 0.209 400 L C 1.862 178.549 176.870 -0.305 0.000 1.094 400 L CA 1.512 56.163 54.840 -0.314 0.000 0.763 400 L CB -0.339 41.548 42.059 -0.286 0.000 0.908 400 L HN 0.238 nan 8.230 nan 0.000 0.437 401 Q N -0.642 119.081 119.800 -0.128 0.000 2.079 401 Q HA -0.170 4.160 4.340 -0.017 0.000 0.200 401 Q C 2.306 178.322 176.000 0.028 0.000 0.974 401 Q CA 1.942 57.755 55.803 0.018 0.000 0.840 401 Q CB -0.161 28.588 28.738 0.018 0.000 0.898 401 Q HN 0.555 nan 8.270 nan 0.000 0.430 402 I N 0.452 121.015 120.570 -0.012 0.000 2.315 402 I HA -0.274 3.886 4.170 -0.017 0.000 0.248 402 I C 2.148 178.330 176.117 0.107 0.000 1.117 402 I CA 1.009 62.382 61.300 0.122 0.000 1.404 402 I CB -0.135 37.880 38.000 0.026 0.000 1.071 402 I HN 0.218 nan 8.210 nan 0.000 0.419 403 I N -0.388 120.165 120.570 -0.029 0.000 2.226 403 I HA -0.324 3.836 4.170 -0.017 0.000 0.245 403 I C 2.377 178.495 176.117 0.002 0.000 1.100 403 I CA 1.493 62.760 61.300 -0.055 0.000 1.374 403 I CB -0.336 37.558 38.000 -0.176 0.000 1.057 403 I HN 0.170 nan 8.210 nan 0.000 0.413 404 Y N 0.672 120.973 120.300 0.001 0.000 2.242 404 Y HA -0.241 4.299 4.550 -0.017 0.000 0.291 404 Y C 2.554 178.419 175.900 -0.058 0.000 1.137 404 Y CA 1.320 59.409 58.100 -0.018 0.000 1.181 404 Y CB -0.666 37.777 38.460 -0.028 0.000 0.989 404 Y HN 0.182 nan 8.280 nan 0.000 0.527 405 E N 0.439 120.679 120.200 0.065 0.000 2.072 405 E HA -0.130 4.210 4.350 -0.017 0.000 0.191 405 E C 2.063 178.587 176.600 -0.127 0.000 0.985 405 E CA 1.173 57.479 56.400 -0.157 0.000 0.801 405 E CB -0.534 28.906 29.700 -0.433 0.000 0.750 405 E HN 0.467 nan 8.360 nan 0.000 0.452 406 I N 0.696 121.278 120.570 0.020 0.000 2.179 406 I HA -0.291 3.869 4.170 -0.017 0.000 0.242 406 I C 2.256 178.366 176.117 -0.013 0.000 1.088 406 I CA 1.352 62.605 61.300 -0.079 0.000 1.357 406 I CB -0.379 37.561 38.000 -0.101 0.000 1.051 406 I HN 0.205 nan 8.210 nan 0.000 0.409 407 N N 0.644 119.386 118.700 0.071 0.000 2.069 407 N HA -0.286 4.444 4.740 -0.017 0.000 0.191 407 N C 1.836 177.432 175.510 0.144 0.000 1.031 407 N CA 1.650 54.794 53.050 0.157 0.000 0.852 407 N CB -0.178 38.421 38.487 0.187 0.000 1.018 407 N HN 0.193 nan 8.380 nan 0.000 0.423 408 Q N 0.703 120.535 119.800 0.053 0.000 2.096 408 Q HA -0.035 4.295 4.340 -0.017 0.000 0.204 408 Q C 1.981 177.971 176.000 -0.017 0.000 0.982 408 Q CA 1.704 57.505 55.803 -0.003 0.000 0.850 408 Q CB -0.196 28.499 28.738 -0.071 0.000 0.901 408 Q HN 0.370 nan 8.270 nan 0.000 0.422 409 R N -1.306 119.165 120.500 -0.048 0.000 2.090 409 R HA -0.042 4.288 4.340 -0.017 0.000 0.228 409 R C 2.079 178.413 176.300 0.056 0.000 1.110 409 R CA 1.144 57.214 56.100 -0.049 0.000 0.973 409 R CB -0.378 29.843 30.300 -0.131 0.000 0.869 409 R HN 0.292 nan 8.270 nan 0.000 0.440 410 F N 1.205 121.137 119.950 -0.030 0.000 2.113 410 F HA -0.079 4.438 4.527 -0.017 0.000 0.297 410 F C 1.741 177.572 175.800 0.051 0.000 1.103 410 F CA 1.312 59.343 58.000 0.052 0.000 1.248 410 F CB -0.134 38.927 39.000 0.103 0.000 0.999 410 F HN -0.112 nan 8.300 nan 0.000 0.475 411 L N 0.071 121.340 121.223 0.077 0.000 2.191 411 L HA -0.234 4.096 4.340 -0.017 0.000 0.212 411 L C 2.000 178.819 176.870 -0.086 0.000 1.103 411 L CA 1.521 56.336 54.840 -0.041 0.000 0.769 411 L CB -0.880 41.210 42.059 0.052 0.000 0.908 411 L HN 0.260 nan 8.230 nan 0.000 0.438 412 N N -0.240 118.426 118.700 -0.057 0.000 2.166 412 N HA -0.172 4.558 4.740 -0.017 0.000 0.186 412 N C 1.920 177.382 175.510 -0.080 0.000 1.019 412 N CA 0.837 53.852 53.050 -0.058 0.000 0.856 412 N CB 0.004 38.463 38.487 -0.047 0.000 0.993 412 N HN 0.285 nan 8.380 nan 0.000 0.426 413 R N 0.519 120.951 120.500 -0.112 0.000 2.075 413 R HA -0.037 4.293 4.340 -0.017 0.000 0.232 413 R C 2.191 178.392 176.300 -0.165 0.000 1.126 413 R CA 0.769 56.793 56.100 -0.127 0.000 0.963 413 R CB -0.304 29.923 30.300 -0.122 0.000 0.858 413 R HN 0.082 nan 8.270 nan 0.000 0.435 414 V N 1.009 120.773 119.914 -0.250 0.000 2.295 414 V HA -0.253 3.857 4.120 -0.017 0.000 0.246 414 V C 2.433 178.532 176.094 0.008 0.000 1.049 414 V CA 2.032 64.254 62.300 -0.131 0.000 1.024 414 V CB -0.705 30.980 31.823 -0.228 0.000 0.648 414 V HN 0.411 nan 8.190 nan 0.000 0.447 415 A N -0.200 122.597 122.820 -0.038 0.000 1.978 415 A HA -0.124 4.186 4.320 -0.017 0.000 0.220 415 A C 2.345 179.911 177.584 -0.030 0.000 1.170 415 A CA 2.115 54.145 52.037 -0.012 0.000 0.636 415 A CB -0.636 18.348 19.000 -0.027 0.000 0.810 415 A HN 0.593 nan 8.150 nan 0.000 0.448 416 A N -0.635 122.147 122.820 -0.063 0.000 1.970 416 A HA 0.339 4.649 4.320 -0.017 0.000 0.216 416 A C 2.354 179.850 177.584 -0.147 0.000 1.170 416 A CA 1.569 53.555 52.037 -0.084 0.000 0.645 416 A CB -0.639 18.316 19.000 -0.076 0.000 0.816 416 A HN 0.951 nan 8.150 nan 0.000 0.447 417 A N -1.642 121.052 122.820 -0.209 0.000 2.021 417 A HA 0.388 4.698 4.320 -0.017 0.000 0.216 417 A C 0.341 177.430 177.584 -0.824 0.000 1.163 417 A CA 0.500 52.238 52.037 -0.497 0.000 0.676 417 A CB -0.164 18.514 19.000 -0.538 0.000 0.818 417 A HN 0.417 nan 8.150 nan 0.000 0.453 418 F N -0.129 119.773 119.950 -0.080 0.000 2.769 418 F HA 0.339 4.856 4.527 -0.017 0.000 0.358 418 F C -2.826 172.937 175.800 -0.062 0.000 1.285 418 F CA -2.719 55.239 58.000 -0.070 0.000 1.199 418 F CB 0.989 39.940 39.000 -0.083 0.000 1.558 418 F HN -0.091 nan 8.300 nan 0.000 0.583 419 P HA 0.182 nan 4.420 nan 0.000 0.263 419 P C 0.990 178.309 177.300 0.032 0.000 1.195 419 P CA 1.027 64.137 63.100 0.016 0.000 0.762 419 P CB 0.789 32.479 31.700 -0.015 0.000 0.799 420 G N 2.740 111.553 108.800 0.021 0.000 2.179 420 G HA2 -0.240 3.710 3.960 -0.017 0.000 0.260 420 G HA3 -0.240 3.710 3.960 -0.017 0.000 0.260 420 G C 0.311 175.222 174.900 0.017 0.000 0.977 420 G CA -0.024 45.085 45.100 0.015 0.000 0.641 420 G HN 0.591 nan 8.290 nan 0.000 0.533 421 D N 1.389 121.808 120.400 0.033 0.000 2.558 421 D HA 0.369 4.999 4.640 -0.017 0.000 0.221 421 D C 2.114 178.406 176.300 -0.014 0.000 1.143 421 D CA 0.376 54.381 54.000 0.008 0.000 1.010 421 D CB 0.341 41.147 40.800 0.009 0.000 1.068 421 D HN 0.614 nan 8.370 nan 0.000 0.511 422 V N 0.252 120.160 119.914 -0.011 0.000 2.626 422 V HA -0.123 3.987 4.120 -0.017 0.000 0.252 422 V C 1.727 177.810 176.094 -0.019 0.000 1.067 422 V CA 1.265 63.557 62.300 -0.013 0.000 1.081 422 V CB -0.147 31.672 31.823 -0.007 0.000 0.686 422 V HN 0.258 nan 8.190 nan 0.000 0.468 423 D N 0.737 121.121 120.400 -0.026 0.000 2.117 423 D HA -0.215 4.415 4.640 -0.017 0.000 0.198 423 D C 2.350 178.622 176.300 -0.046 0.000 0.982 423 D CA 1.712 55.695 54.000 -0.027 0.000 0.828 423 D CB -0.032 40.750 40.800 -0.030 0.000 0.967 423 D HN 0.530 nan 8.370 nan 0.000 0.464 424 R N 0.341 120.789 120.500 -0.087 0.000 2.096 424 R HA -0.098 4.232 4.340 -0.017 0.000 0.235 424 R C 2.646 178.880 176.300 -0.110 0.000 1.127 424 R CA 0.715 56.727 56.100 -0.147 0.000 0.968 424 R CB -0.228 29.921 30.300 -0.250 0.000 0.861 424 R HN 0.194 nan 8.270 nan 0.000 0.440 425 L N 0.241 121.425 121.223 -0.065 0.000 2.046 425 L HA -0.188 4.142 4.340 -0.017 0.000 0.208 425 L C 2.921 179.800 176.870 0.015 0.000 1.077 425 L CA 1.649 56.472 54.840 -0.028 0.000 0.747 425 L CB -0.556 41.495 42.059 -0.013 0.000 0.896 425 L HN 0.287 nan 8.230 nan 0.000 0.432 426 R N 0.462 120.972 120.500 0.017 0.000 2.081 426 R HA -0.147 4.183 4.340 -0.017 0.000 0.235 426 R C 2.465 178.812 176.300 0.080 0.000 1.131 426 R CA 1.337 57.466 56.100 0.048 0.000 0.960 426 R CB -0.049 30.271 30.300 0.034 0.000 0.856 426 R HN 0.306 nan 8.270 nan 0.000 0.436 427 R N -0.213 120.316 120.500 0.049 0.000 2.075 427 R HA -0.027 4.303 4.340 -0.017 0.000 0.232 427 R C 2.226 178.608 176.300 0.136 0.000 1.126 427 R CA 1.712 57.865 56.100 0.088 0.000 0.963 427 R CB -0.158 30.154 30.300 0.019 0.000 0.858 427 R HN 0.307 nan 8.270 nan 0.000 0.435 428 M N 0.409 120.008 119.600 -0.002 0.000 2.558 428 M HA 0.038 4.508 4.480 -0.017 0.000 0.255 428 M C 0.899 177.378 176.300 0.298 0.000 1.113 428 M CA 0.080 55.338 55.300 -0.070 0.000 1.097 428 M CB 0.288 32.670 32.600 -0.363 0.000 1.426 428 M HN -0.069 nan 8.290 nan 0.000 0.488 429 S N 0.840 116.714 115.700 0.290 0.000 2.558 429 S HA 0.013 4.473 4.470 -0.017 0.000 0.291 429 S C 0.963 175.816 174.600 0.422 0.000 1.306 429 S CA -0.365 58.028 58.200 0.321 0.000 1.056 429 S CB 0.604 63.931 63.200 0.211 0.000 0.836 429 S HN 0.243 nan 8.310 nan 0.000 0.504 430 L N 5.198 126.613 121.223 0.320 0.000 2.376 430 L HA 0.160 4.490 4.340 -0.017 0.000 0.219 430 L C 0.329 177.288 176.870 0.148 0.000 1.133 430 L CA 0.771 55.746 54.840 0.225 0.000 0.816 430 L CB -0.296 41.844 42.059 0.135 0.000 0.933 430 L HN 0.466 nan 8.230 nan 0.000 0.449 431 V N 0.104 120.127 119.914 0.182 0.000 2.394 431 V HA 0.213 4.323 4.120 -0.017 0.000 0.282 431 V C 0.063 176.235 176.094 0.130 0.000 1.031 431 V CA -0.918 61.479 62.300 0.162 0.000 0.881 431 V CB 1.271 33.225 31.823 0.218 0.000 0.982 431 V HN 0.149 nan 8.190 nan 0.000 0.451 432 E N 4.071 124.326 120.200 0.091 0.000 2.134 432 E HA 0.370 4.710 4.350 -0.017 0.000 0.278 432 E C -0.650 175.996 176.600 0.077 0.000 0.959 432 E CA -0.638 55.807 56.400 0.075 0.000 0.783 432 E CB 1.705 31.427 29.700 0.037 0.000 1.095 432 E HN 0.588 nan 8.360 nan 0.000 0.399 433 E N 1.267 121.510 120.200 0.072 0.000 2.345 433 E HA 0.574 4.914 4.350 -0.017 0.000 0.259 433 E C 0.409 177.042 176.600 0.055 0.000 1.117 433 E CA -0.363 56.075 56.400 0.063 0.000 0.913 433 E CB 1.638 31.370 29.700 0.053 0.000 1.057 433 E HN 0.755 nan 8.360 nan 0.000 0.432 434 G N -0.764 108.067 108.800 0.052 0.000 2.351 434 G HA2 0.228 4.178 3.960 -0.017 0.000 0.279 434 G HA3 0.228 4.178 3.960 -0.017 0.000 0.279 434 G C 0.140 175.069 174.900 0.048 0.000 1.297 434 G CA -0.045 45.083 45.100 0.047 0.000 0.886 434 G HN 0.423 nan 8.290 nan 0.000 0.493 435 A N -1.164 121.684 122.820 0.045 0.000 1.897 435 A HA 0.442 4.752 4.320 -0.017 0.000 0.215 435 A C 1.143 178.763 177.584 0.060 0.000 1.181 435 A CA 2.119 54.182 52.037 0.044 0.000 0.620 435 A CB -0.334 18.688 19.000 0.037 0.000 0.821 435 A HN 1.415 nan 8.150 nan 0.000 0.443 436 V N 1.248 121.205 119.914 0.071 0.000 2.311 436 V HA 0.233 4.343 4.120 -0.017 0.000 0.275 436 V C -0.003 176.154 176.094 0.104 0.000 1.022 436 V CA -0.729 61.632 62.300 0.101 0.000 0.830 436 V CB 0.788 32.677 31.823 0.110 0.000 1.012 436 V HN 0.411 nan 8.190 nan 0.000 0.452 437 K N 4.775 125.246 120.400 0.119 0.000 2.401 437 K HA 0.394 4.704 4.320 -0.017 0.000 0.278 437 K C 0.042 176.714 176.600 0.120 0.000 1.018 437 K CA 0.249 56.608 56.287 0.119 0.000 0.981 437 K CB 0.478 33.062 32.500 0.139 0.000 0.933 437 K HN 0.653 nan 8.250 nan 0.000 0.477 438 R N 2.997 123.554 120.500 0.095 0.000 2.836 438 R HA 0.482 4.812 4.340 -0.017 0.000 0.269 438 R C -0.954 175.378 176.300 0.054 0.000 1.010 438 R CA -1.078 55.066 56.100 0.073 0.000 0.930 438 R CB 1.220 31.540 30.300 0.034 0.000 1.218 438 R HN 0.397 nan 8.270 nan 0.000 0.473 439 I N 1.904 122.497 120.570 0.039 0.000 2.339 439 I HA 0.167 4.327 4.170 -0.017 0.000 0.290 439 I C -0.252 175.831 176.117 -0.055 0.000 0.994 439 I CA -0.792 60.513 61.300 0.008 0.000 1.191 439 I CB 1.276 39.279 38.000 0.005 0.000 1.343 439 I HN 0.502 nan 8.210 nan 0.000 0.458 440 N N 7.243 125.872 118.700 -0.118 0.000 2.415 440 N HA 0.081 4.811 4.740 -0.017 0.000 0.250 440 N C 0.878 176.259 175.510 -0.215 0.000 1.127 440 N CA -0.330 52.563 53.050 -0.261 0.000 0.945 440 N CB 0.890 39.066 38.487 -0.519 0.000 1.196 440 N HN 0.370 nan 8.380 nan 0.000 0.499 441 M N 2.331 121.821 119.600 -0.182 0.000 2.279 441 M HA -0.100 4.370 4.480 -0.017 0.000 0.264 441 M C 1.905 178.054 176.300 -0.252 0.000 1.062 441 M CA 0.791 56.004 55.300 -0.145 0.000 1.099 441 M CB -1.582 30.980 32.600 -0.063 0.000 1.394 441 M HN 0.597 nan 8.290 nan 0.000 0.426 442 A N -0.474 122.188 122.820 -0.263 0.000 1.898 442 A HA -0.164 4.146 4.320 -0.017 0.000 0.216 442 A C 1.990 179.345 177.584 -0.380 0.000 1.181 442 A CA 1.430 53.271 52.037 -0.326 0.000 0.620 442 A CB -1.112 17.898 19.000 0.016 0.000 0.819 442 A HN 0.601 nan 8.150 nan 0.000 0.442 443 H N -1.378 117.458 119.070 -0.390 0.000 2.387 443 H HA -0.110 4.436 4.556 -0.017 0.000 0.299 443 H C 2.079 177.170 175.328 -0.395 0.000 1.090 443 H CA 1.113 56.884 56.048 -0.462 0.000 1.332 443 H CB -0.033 29.673 29.762 -0.093 0.000 1.386 443 H HN 0.441 nan 8.280 nan 0.000 0.516 444 L N 0.616 121.747 121.223 -0.153 0.000 2.083 444 L HA -0.158 4.172 4.340 -0.017 0.000 0.209 444 L C 2.170 178.915 176.870 -0.208 0.000 1.083 444 L CA 1.419 56.173 54.840 -0.142 0.000 0.752 444 L CB -0.686 41.318 42.059 -0.091 0.000 0.899 444 L HN 0.279 nan 8.230 nan 0.000 0.433 445 C N -0.543 118.535 119.300 -0.370 0.000 2.446 445 C HA -0.040 4.410 4.460 -0.017 0.000 0.277 445 C C 2.676 177.454 174.990 -0.354 0.000 1.275 445 C CA 0.763 59.505 59.018 -0.459 0.000 1.727 445 C CB -0.839 26.270 27.740 -1.051 0.000 2.010 445 C HN 0.615 nan 8.230 nan 0.000 0.486 446 I N 1.452 121.760 120.570 -0.436 0.000 2.202 446 I HA -0.176 3.984 4.170 -0.017 0.000 0.242 446 I C 2.740 178.733 176.117 -0.205 0.000 1.091 446 I CA 1.616 62.700 61.300 -0.359 0.000 1.368 446 I CB -0.521 37.108 38.000 -0.620 0.000 1.058 446 I HN 0.250 nan 8.210 nan 0.000 0.410 447 A N 0.528 123.172 122.820 -0.293 0.000 1.933 447 A HA -0.113 4.197 4.320 -0.017 0.000 0.218 447 A C 2.232 179.902 177.584 0.143 0.000 1.175 447 A CA 1.920 53.815 52.037 -0.237 0.000 0.628 447 A CB -1.215 17.411 19.000 -0.622 0.000 0.814 447 A HN 0.478 nan 8.150 nan 0.000 0.444 448 G N -1.167 107.661 108.800 0.047 0.000 3.284 448 G HA2 0.409 4.359 3.960 -0.017 0.000 0.236 448 G HA3 0.409 4.359 3.960 -0.017 0.000 0.236 448 G C 0.103 174.867 174.900 -0.227 0.000 1.158 448 G CA 0.528 45.551 45.100 -0.127 0.000 0.774 448 G HN 0.365 nan 8.290 nan 0.000 0.545 449 S N -0.302 115.318 115.700 -0.134 0.000 2.536 449 S HA 0.319 4.779 4.470 -0.017 0.000 0.298 449 S C 0.752 175.307 174.600 -0.074 0.000 1.083 449 S CA -0.714 57.418 58.200 -0.113 0.000 0.995 449 S CB 1.304 64.441 63.200 -0.106 0.000 1.058 449 S HN 0.499 nan 8.310 nan 0.000 0.488 450 H N -0.035 119.009 119.070 -0.044 0.000 2.548 450 H HA 0.464 5.010 4.556 -0.017 0.000 0.268 450 H C 0.194 175.516 175.328 -0.010 0.000 0.975 450 H CA 0.342 56.389 56.048 -0.001 0.000 1.195 450 H CB 0.142 29.912 29.762 0.013 0.000 1.397 450 H HN 0.534 nan 8.280 nan 0.000 0.572 451 A N 0.947 123.488 122.820 -0.465 0.000 2.520 451 A HA 0.570 4.880 4.320 -0.017 0.000 0.298 451 A C -1.415 175.974 177.584 -0.325 0.000 1.051 451 A CA -0.578 51.238 52.037 -0.368 0.000 0.690 451 A CB 2.365 21.130 19.000 -0.393 0.000 1.281 451 A HN 0.101 nan 8.150 nan 0.000 0.402 452 V N 3.975 123.660 119.914 -0.382 0.000 2.577 452 V HA 0.530 4.640 4.120 -0.017 0.000 0.303 452 V C -0.890 175.017 176.094 -0.313 0.000 1.042 452 V CA -0.757 61.316 62.300 -0.379 0.000 0.872 452 V CB 1.880 33.333 31.823 -0.617 0.000 0.998 452 V HN 1.036 nan 8.190 nan 0.000 0.423 453 N N 3.117 121.658 118.700 -0.266 0.000 2.229 453 N HA 0.615 5.345 4.740 -0.017 0.000 0.298 453 N C -0.282 175.130 175.510 -0.164 0.000 1.114 453 N CA -0.376 52.558 53.050 -0.193 0.000 0.776 453 N CB 2.877 41.225 38.487 -0.233 0.000 1.501 453 N HN 0.639 nan 8.380 nan 0.000 0.474 454 G N -0.785 107.951 108.800 -0.106 0.000 2.522 454 G HA2 0.421 4.371 3.960 -0.017 0.000 0.304 454 G HA3 0.421 4.371 3.960 -0.017 0.000 0.304 454 G C 0.728 175.687 174.900 0.097 0.000 1.210 454 G CA -0.527 44.554 45.100 -0.032 0.000 0.960 454 G HN 0.644 nan 8.290 nan 0.000 0.497 455 V N -3.512 116.575 119.914 0.288 0.000 3.319 455 V HA 0.699 4.809 4.120 -0.017 0.000 0.317 455 V C 0.513 176.686 176.094 0.131 0.000 1.411 455 V CA 0.255 62.636 62.300 0.135 0.000 1.112 455 V CB -0.777 31.078 31.823 0.054 0.000 1.031 455 V HN 1.347 nan 8.190 nan 0.000 0.448 456 A N -0.243 122.666 122.820 0.148 0.000 2.594 456 A HA 0.647 4.957 4.320 -0.017 0.000 0.296 456 A C 0.582 178.215 177.584 0.082 0.000 1.056 456 A CA -0.187 51.915 52.037 0.108 0.000 0.693 456 A CB 1.229 20.282 19.000 0.088 0.000 1.278 456 A HN 0.057 nan 8.150 nan 0.000 0.408 457 R N 0.975 121.504 120.500 0.048 0.000 2.112 457 R HA -0.181 4.149 4.340 -0.017 0.000 0.242 457 R C 1.764 178.062 176.300 -0.003 0.000 1.137 457 R CA 2.402 58.508 56.100 0.010 0.000 0.944 457 R CB -0.246 30.056 30.300 0.003 0.000 0.857 457 R HN 0.817 nan 8.270 nan 0.000 0.435 458 I N 0.129 120.706 120.570 0.011 0.000 2.286 458 I HA -0.305 3.855 4.170 -0.017 0.000 0.248 458 I C 2.442 178.566 176.117 0.011 0.000 1.115 458 I CA 1.546 62.844 61.300 -0.003 0.000 1.392 458 I CB -0.293 37.705 38.000 -0.003 0.000 1.065 458 I HN 0.405 nan 8.210 nan 0.000 0.418 459 H N 0.056 119.092 119.070 -0.057 0.000 2.326 459 H HA -0.133 4.413 4.556 -0.017 0.000 0.301 459 H C 2.214 177.491 175.328 -0.085 0.000 1.081 459 H CA 1.757 57.762 56.048 -0.073 0.000 1.334 459 H CB 0.166 29.892 29.762 -0.061 0.000 1.385 459 H HN 0.293 nan 8.280 nan 0.000 0.504 460 S N 0.597 116.170 115.700 -0.211 0.000 2.419 460 S HA -0.098 4.362 4.470 -0.017 0.000 0.233 460 S C 1.841 176.309 174.600 -0.221 0.000 1.016 460 S CA 1.011 59.059 58.200 -0.253 0.000 0.974 460 S CB -0.001 63.130 63.200 -0.115 0.000 0.786 460 S HN 0.474 nan 8.310 nan 0.000 0.492 461 E N 1.093 121.188 120.200 -0.175 0.000 2.112 461 E HA 0.099 4.439 4.350 -0.017 0.000 0.190 461 E C 1.992 178.469 176.600 -0.205 0.000 0.979 461 E CA 0.445 56.734 56.400 -0.185 0.000 0.814 461 E CB -0.295 29.331 29.700 -0.124 0.000 0.762 461 E HN 0.492 nan 8.360 nan 0.000 0.460 462 I N 0.960 121.422 120.570 -0.181 0.000 2.286 462 I HA -0.258 3.902 4.170 -0.017 0.000 0.248 462 I C 2.373 178.348 176.117 -0.237 0.000 1.115 462 I CA 0.723 61.922 61.300 -0.168 0.000 1.392 462 I CB -0.154 37.779 38.000 -0.110 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.391 121.417 121.223 -0.328 0.000 1.994 463 L HA -0.252 4.078 4.340 -0.017 0.000 0.208 463 L C 2.481 179.188 176.870 -0.271 0.000 1.071 463 L CA 1.680 56.297 54.840 -0.373 0.000 0.745 463 L CB -0.543 41.309 42.059 -0.345 0.000 0.892 463 L HN 0.158 nan 8.230 nan 0.000 0.431 464 K N 0.259 120.454 120.400 -0.342 0.000 2.209 464 K HA -0.159 4.151 4.320 -0.017 0.000 0.204 464 K C 1.624 178.008 176.600 -0.360 0.000 1.048 464 K CA 1.217 57.168 56.287 -0.560 0.000 0.940 464 K CB 0.055 31.996 32.500 -0.931 0.000 0.729 464 K HN 0.382 nan 8.250 nan 0.000 0.451 465 K N -0.619 119.639 120.400 -0.237 0.000 2.374 465 K HA 0.108 4.418 4.320 -0.017 0.000 0.202 465 K C 0.924 177.472 176.600 -0.087 0.000 1.040 465 K CA 0.480 56.689 56.287 -0.132 0.000 1.085 465 K CB 0.976 33.410 32.500 -0.110 0.000 0.873 465 K HN 0.079 nan 8.250 nan 0.000 0.539 466 T N -1.005 113.486 114.554 -0.105 0.000 2.614 466 T HA 0.132 4.472 4.350 -0.017 0.000 0.163 466 T C 1.982 176.656 174.700 -0.044 0.000 0.806 466 T CA 0.089 62.145 62.100 -0.073 0.000 1.020 466 T CB -0.832 67.983 68.868 -0.089 0.000 2.539 466 T HN 0.117 nan 8.240 nan 0.000 0.380 467 I N -0.858 119.643 120.570 -0.115 0.000 2.423 467 I HA 0.095 4.255 4.170 -0.017 0.000 0.254 467 I C 1.040 177.287 176.117 0.217 0.000 1.151 467 I CA 1.605 62.873 61.300 -0.055 0.000 1.421 467 I CB -0.539 37.319 38.000 -0.236 0.000 1.079 467 I HN 0.159 nan 8.210 nan 0.000 0.431 468 F N 1.098 121.104 119.950 0.094 0.000 2.698 468 F HA 0.356 4.873 4.527 -0.017 0.000 0.304 468 F C 1.886 177.742 175.800 0.093 0.000 1.108 468 F CA -1.150 56.965 58.000 0.192 0.000 1.263 468 F CB -0.608 38.490 39.000 0.163 0.000 1.013 468 F HN 0.014 nan 8.300 nan 0.000 0.532 469 K N 0.868 121.370 120.400 0.169 0.000 2.059 469 K HA -0.218 4.092 4.320 -0.017 0.000 0.212 469 K C 1.421 178.056 176.600 0.060 0.000 1.050 469 K CA 2.242 58.570 56.287 0.069 0.000 0.927 469 K CB 0.022 32.536 32.500 0.022 0.000 0.714 469 K HN 0.019 nan 8.250 nan 0.000 0.447 470 D N -0.205 120.202 120.400 0.011 0.000 2.123 470 D HA -0.165 4.465 4.640 -0.017 0.000 0.196 470 D C 1.765 177.932 176.300 -0.222 0.000 0.992 470 D CA 1.266 55.140 54.000 -0.210 0.000 0.833 470 D CB -0.258 40.316 40.800 -0.376 0.000 0.954 470 D HN 0.245 nan 8.370 nan 0.000 0.455 471 F N -0.434 119.551 119.950 0.057 0.000 2.206 471 F HA -0.109 4.408 4.527 -0.017 0.000 0.298 471 F C 2.280 178.173 175.800 0.155 0.000 1.090 471 F CA 0.417 58.527 58.000 0.183 0.000 1.323 471 F CB -0.698 38.477 39.000 0.293 0.000 1.028 471 F HN -0.017 nan 8.300 nan 0.000 0.492 472 Y N 1.314 121.513 120.300 -0.169 0.000 2.242 472 Y HA -0.158 4.382 4.550 -0.017 0.000 0.291 472 Y C 2.062 177.924 175.900 -0.063 0.000 1.137 472 Y CA 1.526 59.366 58.100 -0.434 0.000 1.181 472 Y CB -0.588 37.443 38.460 -0.716 0.000 0.989 472 Y HN 0.129 nan 8.280 nan 0.000 0.527 473 E N -0.321 119.807 120.200 -0.120 0.000 2.150 473 E HA -0.172 4.168 4.350 -0.017 0.000 0.193 473 E C 1.974 178.620 176.600 0.077 0.000 0.985 473 E CA 1.139 57.479 56.400 -0.100 0.000 0.814 473 E CB -0.205 29.465 29.700 -0.050 0.000 0.752 473 E HN 0.449 nan 8.360 nan 0.000 0.466 474 L N 0.974 122.276 121.223 0.132 0.000 2.068 474 L HA -0.054 4.276 4.340 -0.017 0.000 0.204 474 L C 0.236 177.199 176.870 0.155 0.000 1.076 474 L CA 1.620 56.591 54.840 0.218 0.000 0.753 474 L CB 0.379 42.547 42.059 0.181 0.000 0.910 474 L HN -0.106 nan 8.230 nan 0.000 0.439 475 E N 0.044 120.333 120.200 0.149 0.000 3.374 475 E HA 0.182 4.522 4.350 -0.017 0.000 0.223 475 E C -1.988 174.527 176.600 -0.142 0.000 1.210 475 E CA -1.380 55.011 56.400 -0.015 0.000 0.987 475 E CB 0.717 30.425 29.700 0.013 0.000 1.322 475 E HN 0.215 nan 8.360 nan 0.000 0.404 476 P HA -0.258 nan 4.420 nan 0.000 0.216 476 P C 1.076 178.456 177.300 0.133 0.000 1.150 476 P CA 1.575 64.608 63.100 -0.112 0.000 0.843 476 P CB -0.016 31.495 31.700 -0.315 0.000 0.787 477 H N -0.416 118.765 119.070 0.184 0.000 2.489 477 H HA -0.003 4.543 4.556 -0.017 0.000 0.295 477 H C 1.836 177.254 175.328 0.151 0.000 1.082 477 H CA 1.108 57.248 56.048 0.154 0.000 1.295 477 H CB -0.946 28.878 29.762 0.104 0.000 1.380 477 H HN 0.129 nan 8.280 nan 0.000 0.548 478 K N 0.076 120.358 120.400 -0.197 0.000 2.155 478 K HA 0.010 4.320 4.320 -0.017 0.000 0.203 478 K C -0.370 176.059 176.600 -0.286 0.000 1.052 478 K CA 0.283 56.446 56.287 -0.206 0.000 0.948 478 K CB 0.065 32.327 32.500 -0.397 0.000 0.728 478 K HN 0.198 nan 8.250 nan 0.000 0.448 479 F N 2.206 122.188 119.950 0.053 0.000 2.472 479 F HA 0.114 4.630 4.527 -0.017 0.000 0.364 479 F C 0.602 176.409 175.800 0.012 0.000 1.090 479 F CA 0.139 58.175 58.000 0.060 0.000 1.188 479 F CB 0.586 39.676 39.000 0.151 0.000 1.105 479 F HN -0.059 nan 8.300 nan 0.000 0.536 480 Q N 1.639 121.452 119.800 0.022 0.000 2.587 480 Q HA 0.439 4.769 4.340 -0.017 0.000 0.293 480 Q C -1.230 174.724 176.000 -0.076 0.000 1.083 480 Q CA -1.479 54.299 55.803 -0.041 0.000 0.792 480 Q CB 2.654 31.315 28.738 -0.129 0.000 1.484 480 Q HN 0.571 nan 8.270 nan 0.000 0.446 481 N N 0.178 118.815 118.700 -0.106 0.000 2.225 481 N HA 0.304 5.034 4.740 -0.017 0.000 0.298 481 N C -1.780 173.629 175.510 -0.168 0.000 1.076 481 N CA -0.482 52.505 53.050 -0.105 0.000 0.792 481 N CB 1.209 39.658 38.487 -0.063 0.000 1.498 481 N HN 0.233 nan 8.380 nan 0.000 0.474 482 K N 2.408 122.713 120.400 -0.158 0.000 2.723 482 K HA 0.227 4.537 4.320 -0.017 0.000 0.229 482 K C -1.108 175.495 176.600 0.006 0.000 1.022 482 K CA -0.492 55.672 56.287 -0.205 0.000 1.045 482 K CB 0.964 33.112 32.500 -0.586 0.000 1.227 482 K HN 0.644 nan 8.250 nan 0.000 0.516 483 T N 2.125 116.702 114.554 0.037 0.000 2.908 483 T HA 0.039 4.379 4.350 -0.017 0.000 0.301 483 T C 0.839 175.663 174.700 0.207 0.000 1.019 483 T CA 0.451 62.624 62.100 0.122 0.000 1.152 483 T CB 0.226 69.165 68.868 0.120 0.000 0.966 483 T HN 0.358 nan 8.240 nan 0.000 0.540 484 N N 0.665 119.512 118.700 0.244 0.000 2.231 484 N HA 0.382 5.112 4.740 -0.017 0.000 0.223 484 N C 0.485 176.183 175.510 0.314 0.000 1.329 484 N CA -0.065 53.164 53.050 0.298 0.000 0.889 484 N CB 0.342 38.944 38.487 0.191 0.000 1.125 484 N HN 0.767 nan 8.380 nan 0.000 0.447 485 G N -0.769 108.223 108.800 0.320 0.000 2.608 485 G HA2 0.567 4.517 3.960 -0.017 0.000 0.291 485 G HA3 0.567 4.517 3.960 -0.017 0.000 0.291 485 G C -1.485 173.552 174.900 0.227 0.000 1.425 485 G CA -0.749 44.525 45.100 0.290 0.000 0.787 485 G HN 0.595 nan 8.290 nan 0.000 0.484 486 I N -2.207 118.481 120.570 0.196 0.000 2.828 486 I HA 0.772 4.932 4.170 -0.017 0.000 0.302 486 I C -0.213 176.063 176.117 0.264 0.000 1.101 486 I CA -0.984 60.422 61.300 0.175 0.000 1.031 486 I CB 2.435 40.422 38.000 -0.021 0.000 1.231 486 I HN 0.523 nan 8.210 nan 0.000 0.427 487 T N 3.735 118.502 114.554 0.355 0.000 2.832 487 T HA 0.383 4.723 4.350 -0.017 0.000 0.296 487 T C -1.501 173.331 174.700 0.220 0.000 0.968 487 T CA -1.679 60.560 62.100 0.233 0.000 1.107 487 T CB 0.865 69.824 68.868 0.150 0.000 0.916 487 T HN 0.635 nan 8.240 nan 0.000 0.517 488 P HA 0.070 nan 4.420 nan 0.000 0.237 488 P C 1.048 178.338 177.300 -0.015 0.000 1.178 488 P CA 0.280 63.435 63.100 0.092 0.000 0.766 488 P CB 0.347 32.090 31.700 0.071 0.000 0.876 489 R N 0.477 120.927 120.500 -0.085 0.000 2.060 489 R HA 0.036 4.365 4.340 -0.017 0.000 0.225 489 R C 2.691 178.889 176.300 -0.169 0.000 1.155 489 R CA 1.491 57.495 56.100 -0.160 0.000 0.930 489 R CB -1.175 29.038 30.300 -0.145 0.000 0.829 489 R HN 0.008 nan 8.270 nan 0.000 0.433 490 R N -0.697 119.647 120.500 -0.261 0.000 2.081 490 R HA -0.130 4.200 4.340 -0.017 0.000 0.235 490 R C 1.167 177.111 176.300 -0.594 0.000 1.131 490 R CA 1.710 57.500 56.100 -0.517 0.000 0.960 490 R CB -0.218 29.605 30.300 -0.796 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 W N -0.114 121.153 121.300 -0.054 0.000 3.345 491 W HA 0.125 4.775 4.660 -0.018 0.000 0.282 491 W C 1.021 177.519 176.519 -0.035 0.000 1.302 491 W CA -0.641 56.671 57.345 -0.056 0.000 1.724 491 W CB 0.365 29.796 29.460 -0.049 0.000 1.104 491 W HN 0.250 nan 8.180 nan 0.000 0.694 492 L N -2.507 118.775 121.223 0.099 0.000 2.376 492 L HA 0.175 4.505 4.340 -0.017 0.000 0.153 492 L C 1.720 178.617 176.870 0.044 0.000 1.272 492 L CA 0.748 55.646 54.840 0.095 0.000 1.005 492 L CB -0.899 41.247 42.059 0.144 0.000 2.027 492 L HN -0.261 nan 8.230 nan 0.000 0.495 493 V N 0.908 120.831 119.914 0.016 0.000 2.287 493 V HA -0.267 3.843 4.120 -0.017 0.000 0.248 493 V C 2.481 178.555 176.094 -0.033 0.000 1.053 493 V CA 2.394 64.690 62.300 -0.007 0.000 1.027 493 V CB -0.677 31.102 31.823 -0.073 0.000 0.646 493 V HN 0.395 nan 8.190 nan 0.000 0.447 494 L N 0.381 121.553 121.223 -0.084 0.000 1.993 494 L HA -0.132 4.198 4.340 -0.017 0.000 0.206 494 L C 2.646 179.454 176.870 -0.103 0.000 1.074 494 L CA 2.413 57.186 54.840 -0.112 0.000 0.746 494 L CB -0.857 41.084 42.059 -0.196 0.000 0.896 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -2.254 116.970 119.300 -0.126 0.000 2.448 495 C HA 0.021 4.471 4.460 -0.017 0.000 0.280 495 C C 1.334 176.305 174.990 -0.031 0.000 1.398 495 C CA -0.083 58.879 59.018 -0.093 0.000 1.774 495 C CB -1.694 25.985 27.740 -0.101 0.000 1.888 495 C HN 0.583 nan 8.230 nan 0.000 0.519 496 N N 1.151 119.846 118.700 -0.008 0.000 2.765 496 N HA 0.258 4.988 4.740 -0.017 0.000 0.277 496 N C -1.845 173.677 175.510 0.020 0.000 1.750 496 N CA -1.234 51.824 53.050 0.012 0.000 0.827 496 N CB 1.177 39.680 38.487 0.028 0.000 1.200 496 N HN 0.201 nan 8.380 nan 0.000 0.494 497 P HA -0.081 nan 4.420 nan 0.000 0.218 497 P C 1.440 178.756 177.300 0.027 0.000 1.149 497 P CA 1.055 64.167 63.100 0.020 0.000 0.817 497 P CB 0.242 31.948 31.700 0.010 0.000 0.785 498 G N 0.710 109.523 108.800 0.021 0.000 2.421 498 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.216 498 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.216 498 G C 1.639 176.551 174.900 0.019 0.000 1.171 498 G CA 0.288 45.399 45.100 0.018 0.000 0.775 498 G HN 0.228 nan 8.290 nan 0.000 0.543 499 L N 0.506 121.740 121.223 0.020 0.000 2.056 499 L HA -0.007 4.323 4.340 -0.017 0.000 0.207 499 L C 3.291 180.182 176.870 0.035 0.000 1.078 499 L CA 1.489 56.339 54.840 0.017 0.000 0.749 499 L CB -0.451 41.617 42.059 0.016 0.000 0.901 499 L HN 0.336 nan 8.230 nan 0.000 0.433 500 A N 0.686 123.544 122.820 0.064 0.000 1.940 500 A HA -0.263 4.047 4.320 -0.017 0.000 0.219 500 A C 1.979 179.635 177.584 0.120 0.000 1.176 500 A CA 1.904 54.019 52.037 0.130 0.000 0.631 500 A CB -0.506 18.584 19.000 0.149 0.000 0.814 500 A HN 0.736 nan 8.150 nan 0.000 0.446 501 E N 0.604 120.850 120.200 0.076 0.000 2.072 501 E HA -0.143 4.197 4.350 -0.017 0.000 0.190 501 E C 1.913 178.545 176.600 0.053 0.000 0.982 501 E CA 1.254 57.693 56.400 0.065 0.000 0.803 501 E CB -0.822 28.904 29.700 0.043 0.000 0.755 501 E HN 0.771 nan 8.360 nan 0.000 0.453 502 I N -0.791 119.809 120.570 0.049 0.000 2.567 502 I HA -0.138 4.022 4.170 -0.017 0.000 0.257 502 I C 2.233 178.401 176.117 0.084 0.000 1.184 502 I CA 1.062 62.404 61.300 0.071 0.000 1.451 502 I CB -0.281 37.764 38.000 0.076 0.000 1.089 502 I HN 0.038 nan 8.210 nan 0.000 0.441 503 I N 1.726 122.319 120.570 0.039 0.000 2.333 503 I HA -0.131 4.029 4.170 -0.017 0.000 0.246 503 I C 2.968 179.030 176.117 -0.092 0.000 1.106 503 I CA 1.168 62.420 61.300 -0.080 0.000 1.411 503 I CB -0.349 37.491 38.000 -0.266 0.000 1.082 503 I HN 0.286 nan 8.210 nan 0.000 0.420 504 A N 1.176 124.024 122.820 0.048 0.000 1.972 504 A HA -0.244 4.066 4.320 -0.017 0.000 0.219 504 A C 2.162 179.767 177.584 0.034 0.000 1.169 504 A CA 1.873 53.985 52.037 0.126 0.000 0.635 504 A CB -0.733 18.369 19.000 0.171 0.000 0.810 504 A HN 0.655 nan 8.150 nan 0.000 0.446 505 E N -0.788 119.413 120.200 0.001 0.000 2.268 505 E HA -0.194 4.146 4.350 -0.017 0.000 0.195 505 E C 1.665 178.219 176.600 -0.077 0.000 0.995 505 E CA 0.960 57.348 56.400 -0.020 0.000 0.836 505 E CB -0.083 29.614 29.700 -0.005 0.000 0.763 505 E HN 0.446 nan 8.360 nan 0.000 0.491 506 R N 0.864 121.257 120.500 -0.178 0.000 2.146 506 R HA 0.198 4.528 4.340 -0.017 0.000 0.206 506 R C 2.320 178.523 176.300 -0.161 0.000 1.049 506 R CA 1.063 56.987 56.100 -0.293 0.000 1.029 506 R CB -0.401 29.388 30.300 -0.850 0.000 0.949 506 R HN 0.466 nan 8.270 nan 0.000 0.471 507 I N -2.726 117.769 120.570 -0.125 0.000 4.081 507 I HA 0.464 4.624 4.170 -0.017 0.000 0.333 507 I C 0.384 176.538 176.117 0.061 0.000 1.413 507 I CA 0.031 61.317 61.300 -0.023 0.000 1.110 507 I CB 0.674 38.651 38.000 -0.040 0.000 1.082 507 I HN 0.156 nan 8.210 nan 0.000 0.402 508 G N 2.188 111.031 108.800 0.071 0.000 2.725 508 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.220 508 G HA3 -0.235 3.715 3.960 -0.017 0.000 0.220 508 G C -0.024 174.988 174.900 0.186 0.000 1.357 508 G CA 0.228 45.388 45.100 0.100 0.000 0.866 508 G HN 0.493 nan 8.290 nan 0.000 0.548 509 E N -0.064 120.192 120.200 0.094 0.000 2.481 509 E HA 0.109 4.449 4.350 -0.017 0.000 0.198 509 E C 1.943 178.454 176.600 -0.148 0.000 1.027 509 E CA 0.265 56.648 56.400 -0.029 0.000 0.900 509 E CB 0.302 29.985 29.700 -0.028 0.000 0.993 509 E HN 0.632 nan 8.360 nan 0.000 0.482 510 E N 0.535 120.731 120.200 -0.008 0.000 2.171 510 E HA -0.238 4.102 4.350 -0.017 0.000 0.197 510 E C 1.794 178.364 176.600 -0.050 0.000 0.997 510 E CA 1.375 57.767 56.400 -0.013 0.000 0.810 510 E CB -0.279 29.445 29.700 0.039 0.000 0.738 510 E HN 0.505 nan 8.360 nan 0.000 0.467 511 Y N 0.023 120.318 120.300 -0.009 0.000 2.256 511 Y HA -0.168 4.372 4.550 -0.016 0.000 0.288 511 Y C 1.896 177.765 175.900 -0.051 0.000 1.155 511 Y CA 0.841 58.929 58.100 -0.021 0.000 1.203 511 Y CB -0.736 37.715 38.460 -0.015 0.000 0.980 511 Y HN -0.071 nan 8.280 nan 0.000 0.530 512 I N 0.939 120.972 120.570 -0.896 0.000 2.399 512 I HA -0.256 3.904 4.170 -0.017 0.000 0.254 512 I C 1.547 177.414 176.117 -0.416 0.000 1.146 512 I CA 1.910 62.761 61.300 -0.748 0.000 1.412 512 I CB -0.406 37.032 38.000 -0.937 0.000 1.076 512 I HN 0.525 nan 8.210 nan 0.000 0.432 513 S N -1.993 113.565 115.700 -0.238 0.000 2.843 513 S HA 0.227 4.687 4.470 -0.017 0.000 0.249 513 S C -0.024 174.557 174.600 -0.031 0.000 1.047 513 S CA -0.567 57.571 58.200 -0.104 0.000 1.042 513 S CB 0.366 63.561 63.200 -0.010 0.000 0.936 513 S HN 0.308 nan 8.310 nan 0.000 0.531 514 D N 0.612 121.001 120.400 -0.018 0.000 3.361 514 D HA 0.139 4.769 4.640 -0.017 0.000 0.246 514 D C 0.413 176.750 176.300 0.061 0.000 1.395 514 D CA -0.347 53.665 54.000 0.020 0.000 0.839 514 D CB 0.074 40.888 40.800 0.024 0.000 1.469 514 D HN 0.145 nan 8.370 nan 0.000 0.636 515 L N 0.930 122.194 121.223 0.068 0.000 2.263 515 L HA -0.050 4.280 4.340 -0.017 0.000 0.216 515 L C 1.402 178.320 176.870 0.081 0.000 1.111 515 L CA 1.646 56.554 54.840 0.114 0.000 0.773 515 L CB -0.108 42.010 42.059 0.099 0.000 0.906 515 L HN 0.251 nan 8.230 nan 0.000 0.439 516 D N -0.910 119.515 120.400 0.042 0.000 2.351 516 D HA -0.169 4.461 4.640 -0.017 0.000 0.216 516 D C 1.883 178.203 176.300 0.034 0.000 0.968 516 D CA 0.591 54.603 54.000 0.020 0.000 0.899 516 D CB 0.110 40.908 40.800 -0.002 0.000 0.907 516 D HN 0.567 nan 8.370 nan 0.000 0.514 517 Q N -0.153 119.685 119.800 0.063 0.000 2.369 517 Q HA 0.019 4.349 4.340 -0.017 0.000 0.206 517 Q C 2.193 178.217 176.000 0.040 0.000 0.963 517 Q CA 0.137 55.979 55.803 0.065 0.000 0.894 517 Q CB 0.210 29.012 28.738 0.108 0.000 0.965 517 Q HN 0.375 nan 8.270 nan 0.000 0.475 518 L N 0.169 121.409 121.223 0.028 0.000 2.265 518 L HA -0.186 4.144 4.340 -0.017 0.000 0.215 518 L C 2.405 179.275 176.870 0.001 0.000 1.117 518 L CA 0.797 55.621 54.840 -0.027 0.000 0.782 518 L CB -0.330 41.719 42.059 -0.016 0.000 0.914 518 L HN 0.191 nan 8.230 nan 0.000 0.441 519 R N 0.909 121.419 120.500 0.017 0.000 2.139 519 R HA -0.200 4.130 4.340 -0.017 0.000 0.243 519 R C 2.119 178.432 176.300 0.023 0.000 1.145 519 R CA 1.375 57.487 56.100 0.021 0.000 0.976 519 R CB -0.026 30.282 30.300 0.014 0.000 0.866 519 R HN 0.274 nan 8.270 nan 0.000 0.449 520 K N 0.005 120.418 120.400 0.022 0.000 2.280 520 K HA -0.108 4.202 4.320 -0.017 0.000 0.202 520 K C 1.649 178.300 176.600 0.085 0.000 1.047 520 K CA 0.977 57.288 56.287 0.040 0.000 0.942 520 K CB -0.033 32.493 32.500 0.042 0.000 0.739 520 K HN 0.284 nan 8.250 nan 0.000 0.457 521 L N 0.818 122.068 121.223 0.044 0.000 2.465 521 L HA -0.078 4.252 4.340 -0.017 0.000 0.224 521 L C 1.899 178.853 176.870 0.141 0.000 1.145 521 L CA 0.378 55.251 54.840 0.055 0.000 0.834 521 L CB -0.294 41.755 42.059 -0.017 0.000 0.944 521 L HN 0.192 nan 8.230 nan 0.000 0.451 522 L N -0.870 120.404 121.223 0.085 0.000 2.275 522 L HA -0.147 4.183 4.340 -0.017 0.000 0.215 522 L C 2.352 179.235 176.870 0.021 0.000 1.119 522 L CA 0.711 55.589 54.840 0.063 0.000 0.790 522 L CB -0.277 41.801 42.059 0.031 0.000 0.919 522 L HN 0.213 nan 8.230 nan 0.000 0.443 523 S N -1.298 114.380 115.700 -0.036 0.000 2.555 523 S HA -0.073 4.387 4.470 -0.017 0.000 0.230 523 S C 0.867 175.216 174.600 -0.417 0.000 0.978 523 S CA 0.634 58.691 58.200 -0.237 0.000 0.934 523 S CB -0.120 62.863 63.200 -0.362 0.000 0.766 523 S HN 0.412 nan 8.310 nan 0.000 0.533 524 Y N -0.724 119.527 120.300 -0.081 0.000 2.636 524 Y HA 0.369 4.917 4.550 -0.003 0.000 0.260 524 Y C 1.564 177.536 175.900 0.120 0.000 1.177 524 Y CA -0.534 57.536 58.100 -0.050 0.000 1.209 524 Y CB -0.061 38.201 38.460 -0.330 0.000 1.166 524 Y HN 0.073 nan 8.280 nan 0.000 0.531 525 V N 0.387 120.409 119.914 0.179 0.000 2.913 525 V HA -0.181 3.929 4.120 -0.017 0.000 0.260 525 V C 0.752 176.919 176.094 0.121 0.000 1.098 525 V CA 2.067 64.466 62.300 0.165 0.000 1.121 525 V CB 0.007 31.886 31.823 0.094 0.000 0.714 525 V HN 0.358 nan 8.190 nan 0.000 0.487 526 D N -0.715 119.737 120.400 0.087 0.000 2.440 526 D HA 0.133 4.763 4.640 -0.017 0.000 0.216 526 D C 0.302 176.649 176.300 0.079 0.000 1.150 526 D CA -0.047 53.990 54.000 0.063 0.000 0.832 526 D CB 0.164 40.977 40.800 0.022 0.000 0.992 526 D HN 0.445 nan 8.370 nan 0.000 0.502 527 D N 1.876 122.361 120.400 0.141 0.000 2.336 527 D HA -0.015 4.615 4.640 -0.017 0.000 0.249 527 D C 1.144 177.550 176.300 0.177 0.000 1.213 527 D CA -0.003 54.102 54.000 0.175 0.000 0.870 527 D CB 1.277 42.263 40.800 0.311 0.000 1.076 527 D HN -0.128 nan 8.370 nan 0.000 0.483 528 E N 3.040 123.308 120.200 0.114 0.000 2.118 528 E HA -0.180 4.160 4.350 -0.017 0.000 0.195 528 E C 1.661 178.317 176.600 0.093 0.000 0.992 528 E CA 0.931 57.382 56.400 0.085 0.000 0.804 528 E CB -0.157 29.576 29.700 0.055 0.000 0.741 528 E HN 0.646 nan 8.360 nan 0.000 0.458 529 A N 0.715 123.608 122.820 0.122 0.000 1.897 529 A HA -0.132 4.178 4.320 -0.017 0.000 0.215 529 A C 2.038 179.718 177.584 0.159 0.000 1.181 529 A CA 0.913 53.020 52.037 0.116 0.000 0.620 529 A CB -0.656 18.414 19.000 0.117 0.000 0.821 529 A HN 0.216 nan 8.150 nan 0.000 0.443 530 F N 0.633 120.607 119.950 0.040 0.000 2.113 530 F HA -0.110 4.408 4.527 -0.015 0.000 0.297 530 F C 1.939 177.749 175.800 0.017 0.000 1.103 530 F CA 1.222 59.230 58.000 0.013 0.000 1.248 530 F CB -0.429 38.596 39.000 0.042 0.000 0.999 530 F HN 0.162 nan 8.300 nan 0.000 0.475 531 I N -0.107 120.478 120.570 0.025 0.000 2.163 531 I HA -0.339 3.821 4.170 -0.017 0.000 0.243 531 I C 2.714 178.768 176.117 -0.105 0.000 1.085 531 I CA 1.416 62.669 61.300 -0.078 0.000 1.347 531 I CB -0.529 37.478 38.000 0.012 0.000 1.044 531 I HN 0.024 nan 8.210 nan 0.000 0.408 532 R N 0.540 121.014 120.500 -0.044 0.000 2.094 532 R HA -0.219 4.111 4.340 -0.017 0.000 0.239 532 R C 2.012 178.267 176.300 -0.074 0.000 1.137 532 R CA 2.191 58.267 56.100 -0.041 0.000 0.943 532 R CB -0.407 29.889 30.300 -0.005 0.000 0.850 532 R HN 0.358 nan 8.270 nan 0.000 0.433 533 D N -0.302 120.044 120.400 -0.089 0.000 2.117 533 D HA -0.123 4.507 4.640 -0.017 0.000 0.197 533 D C 1.950 178.140 176.300 -0.183 0.000 0.987 533 D CA 0.952 54.888 54.000 -0.105 0.000 0.829 533 D CB -0.229 40.541 40.800 -0.051 0.000 0.961 533 D HN 0.028 nan 8.370 nan 0.000 0.460 534 V N 1.275 120.982 119.914 -0.345 0.000 2.295 534 V HA -0.248 3.862 4.120 -0.017 0.000 0.246 534 V C 2.479 178.479 176.094 -0.155 0.000 1.049 534 V CA 1.928 64.030 62.300 -0.330 0.000 1.024 534 V CB -0.755 30.782 31.823 -0.475 0.000 0.648 534 V HN 0.202 nan 8.190 nan 0.000 0.447 535 A N -0.487 122.260 122.820 -0.122 0.000 1.969 535 A HA -0.219 4.091 4.320 -0.017 0.000 0.218 535 A C 2.342 179.891 177.584 -0.059 0.000 1.169 535 A CA 1.933 53.932 52.037 -0.065 0.000 0.635 535 A CB -0.435 18.530 19.000 -0.058 0.000 0.810 535 A HN 0.537 nan 8.150 nan 0.000 0.445 536 K N -0.143 120.220 120.400 -0.062 0.000 2.057 536 K HA -0.078 4.232 4.320 -0.017 0.000 0.206 536 K C 1.778 178.357 176.600 -0.036 0.000 1.050 536 K CA 1.547 57.808 56.287 -0.044 0.000 0.935 536 K CB -0.247 32.231 32.500 -0.036 0.000 0.715 536 K HN 0.207 nan 8.250 nan 0.000 0.439 537 V N 1.798 121.686 119.914 -0.043 0.000 2.295 537 V HA -0.238 3.872 4.120 -0.017 0.000 0.246 537 V C 2.410 178.493 176.094 -0.018 0.000 1.049 537 V CA 2.020 64.303 62.300 -0.028 0.000 1.024 537 V CB -0.466 31.335 31.823 -0.037 0.000 0.648 537 V HN 0.365 nan 8.190 nan 0.000 0.447 538 K N -0.059 120.327 120.400 -0.024 0.000 2.057 538 K HA -0.190 4.120 4.320 -0.017 0.000 0.207 538 K C 2.202 178.779 176.600 -0.038 0.000 1.049 538 K CA 1.575 57.855 56.287 -0.012 0.000 0.931 538 K CB -0.470 32.035 32.500 0.010 0.000 0.714 538 K HN 0.299 nan 8.250 nan 0.000 0.440 539 Q N 0.714 120.484 119.800 -0.049 0.000 2.084 539 Q HA -0.132 4.198 4.340 -0.017 0.000 0.202 539 Q C 1.930 177.914 176.000 -0.027 0.000 0.978 539 Q CA 1.647 57.412 55.803 -0.064 0.000 0.844 539 Q CB -0.046 28.658 28.738 -0.058 0.000 0.898 539 Q HN 0.527 nan 8.270 nan 0.000 0.426 540 E N 0.037 120.233 120.200 -0.007 0.000 2.110 540 E HA -0.156 4.184 4.350 -0.017 0.000 0.193 540 E C 1.786 178.413 176.600 0.045 0.000 0.988 540 E CA 0.943 57.354 56.400 0.018 0.000 0.804 540 E CB -0.130 29.579 29.700 0.015 0.000 0.745 540 E HN 0.473 nan 8.360 nan 0.000 0.458 541 N N 0.572 119.296 118.700 0.041 0.000 2.120 541 N HA -0.147 4.583 4.740 -0.017 0.000 0.188 541 N C 1.670 177.268 175.510 0.147 0.000 1.024 541 N CA 0.885 53.983 53.050 0.079 0.000 0.852 541 N CB 0.034 38.553 38.487 0.052 0.000 1.003 541 N HN 0.033 nan 8.380 nan 0.000 0.424 542 K N 0.599 121.047 120.400 0.081 0.000 2.097 542 K HA -0.080 4.230 4.320 -0.017 0.000 0.205 542 K C 1.921 178.664 176.600 0.238 0.000 1.050 542 K CA 0.628 56.996 56.287 0.135 0.000 0.938 542 K CB -0.116 32.165 32.500 -0.365 0.000 0.718 542 K HN 0.056 nan 8.250 nan 0.000 0.442 543 L N 1.879 123.174 121.223 0.121 0.000 2.017 543 L HA -0.173 4.157 4.340 -0.017 0.000 0.208 543 L C 2.261 179.223 176.870 0.152 0.000 1.073 543 L CA 1.777 56.689 54.840 0.120 0.000 0.745 543 L CB -0.217 41.883 42.059 0.069 0.000 0.894 543 L HN 0.026 nan 8.230 nan 0.000 0.432 544 K N -1.592 118.903 120.400 0.158 0.000 2.097 544 K HA -0.226 4.084 4.320 -0.017 0.000 0.205 544 K C 2.203 178.945 176.600 0.236 0.000 1.050 544 K CA 1.548 57.934 56.287 0.165 0.000 0.938 544 K CB -0.284 32.300 32.500 0.139 0.000 0.718 544 K HN 0.267 nan 8.250 nan 0.000 0.442 545 F N 1.284 121.334 119.950 0.167 0.000 2.186 545 F HA -0.089 4.428 4.527 -0.017 0.000 0.299 545 F C 1.972 177.911 175.800 0.231 0.000 1.090 545 F CA 1.206 59.331 58.000 0.210 0.000 1.307 545 F CB -0.398 38.731 39.000 0.216 0.000 1.019 545 F HN 0.047 nan 8.300 nan 0.000 0.489 546 A N 0.197 123.119 122.820 0.170 0.000 1.933 546 A HA -0.028 4.282 4.320 -0.017 0.000 0.218 546 A C 2.408 179.984 177.584 -0.013 0.000 1.175 546 A CA 1.616 53.675 52.037 0.036 0.000 0.628 546 A CB -1.467 17.614 19.000 0.135 0.000 0.814 546 A HN 0.439 nan 8.150 nan 0.000 0.444 547 A N -1.550 121.301 122.820 0.052 0.000 1.969 547 A HA -0.069 4.241 4.320 -0.017 0.000 0.218 547 A C 2.103 179.702 177.584 0.024 0.000 1.169 547 A CA 1.592 53.657 52.037 0.046 0.000 0.635 547 A CB -0.716 18.330 19.000 0.076 0.000 0.810 547 A HN 0.745 nan 8.150 nan 0.000 0.445 548 Y N 0.436 120.671 120.300 -0.108 0.000 2.163 548 Y HA -0.111 4.429 4.550 -0.016 0.000 0.288 548 Y C 1.916 177.735 175.900 -0.136 0.000 1.136 548 Y CA 1.691 59.718 58.100 -0.122 0.000 1.147 548 Y CB -0.321 38.056 38.460 -0.138 0.000 0.987 548 Y HN 0.197 nan 8.280 nan 0.000 0.509 549 L N 0.303 121.327 121.223 -0.333 0.000 2.046 549 L HA -0.213 4.117 4.340 -0.017 0.000 0.208 549 L C 2.666 179.456 176.870 -0.132 0.000 1.077 549 L CA 1.976 56.659 54.840 -0.261 0.000 0.747 549 L CB -0.671 41.198 42.059 -0.317 0.000 0.896 549 L HN 0.349 nan 8.230 nan 0.000 0.432 550 E N 0.431 120.565 120.200 -0.110 0.000 2.051 550 E HA -0.240 4.100 4.350 -0.017 0.000 0.192 550 E C 2.345 178.890 176.600 -0.091 0.000 0.991 550 E CA 1.107 57.476 56.400 -0.051 0.000 0.799 550 E CB 0.066 29.763 29.700 -0.004 0.000 0.748 550 E HN 0.350 nan 8.360 nan 0.000 0.449 551 R N 0.010 120.429 120.500 -0.134 0.000 2.097 551 R HA -0.143 4.187 4.340 -0.017 0.000 0.236 551 R C 2.153 178.305 176.300 -0.248 0.000 1.135 551 R CA 1.806 57.812 56.100 -0.156 0.000 0.934 551 R CB -0.180 30.037 30.300 -0.138 0.000 0.846 551 R HN 0.283 nan 8.270 nan 0.000 0.431 552 E N -1.147 118.782 120.200 -0.451 0.000 2.400 552 E HA -0.057 4.283 4.350 -0.017 0.000 0.195 552 E C 0.816 176.923 176.600 -0.821 0.000 1.012 552 E CA 0.770 56.762 56.400 -0.680 0.000 0.875 552 E CB 0.309 29.393 29.700 -1.026 0.000 0.859 552 E HN 0.490 nan 8.360 nan 0.000 0.498 553 Y N 0.011 120.186 120.300 -0.208 0.000 2.563 553 Y HA 0.240 4.780 4.550 -0.017 0.000 0.250 553 Y C 0.129 175.982 175.900 -0.078 0.000 1.126 553 Y CA -0.705 57.323 58.100 -0.120 0.000 1.231 553 Y CB 0.750 39.137 38.460 -0.122 0.000 1.288 553 Y HN -0.270 nan 8.280 nan 0.000 0.537 554 K N 0.948 121.358 120.400 0.017 0.000 3.257 554 K HA -0.132 4.178 4.320 -0.017 0.000 0.270 554 K C -0.981 175.651 176.600 0.054 0.000 0.984 554 K CA 0.357 56.657 56.287 0.021 0.000 0.739 554 K CB -1.762 30.747 32.500 0.015 0.000 1.351 554 K HN 0.111 nan 8.250 nan 0.000 0.463 555 V N 1.717 121.661 119.914 0.050 0.000 2.444 555 V HA 0.203 4.313 4.120 -0.017 0.000 0.294 555 V C 0.398 176.513 176.094 0.035 0.000 1.022 555 V CA -0.851 61.473 62.300 0.039 0.000 0.850 555 V CB 1.742 33.565 31.823 0.000 0.000 0.992 555 V HN 0.384 nan 8.190 nan 0.000 0.426 556 H N 6.650 125.704 119.070 -0.027 0.000 2.473 556 H HA 0.678 5.224 4.556 -0.017 0.000 0.327 556 H C -0.942 174.370 175.328 -0.028 0.000 1.105 556 H CA -0.434 55.601 56.048 -0.021 0.000 1.280 556 H CB 1.629 31.385 29.762 -0.010 0.000 1.450 556 H HN 0.708 nan 8.280 nan 0.000 0.492 557 I N 2.059 122.212 120.570 -0.696 0.000 2.619 557 I HA 0.283 4.443 4.170 -0.017 0.000 0.292 557 I C -0.675 175.126 176.117 -0.527 0.000 1.100 557 I CA -1.276 59.700 61.300 -0.541 0.000 1.043 557 I CB 1.955 39.781 38.000 -0.290 0.000 1.239 557 I HN 0.388 nan 8.210 nan 0.000 0.420 558 N N 7.754 126.274 118.700 -0.300 0.000 2.399 558 N HA 0.283 5.013 4.740 -0.017 0.000 0.259 558 N C -1.639 173.965 175.510 0.156 0.000 1.160 558 N CA -2.296 50.730 53.050 -0.039 0.000 0.946 558 N CB 0.809 39.318 38.487 0.037 0.000 1.156 558 N HN 0.452 nan 8.380 nan 0.000 0.489 559 P HA -0.065 nan 4.420 nan 0.000 0.230 559 P C -0.774 176.495 177.300 -0.051 0.000 1.158 559 P CA 0.930 64.098 63.100 0.113 0.000 0.769 559 P CB 0.017 31.768 31.700 0.086 0.000 0.807 560 N N 0.422 119.132 118.700 0.015 0.000 3.228 560 N HA 0.230 4.960 4.740 -0.017 0.000 0.289 560 N C -0.504 175.019 175.510 0.022 0.000 1.419 560 N CA -0.282 52.767 53.050 -0.002 0.000 1.088 560 N CB 0.332 38.833 38.487 0.022 0.000 1.357 560 N HN 0.085 nan 8.380 nan 0.000 0.504 561 S N -0.304 115.390 115.700 -0.009 0.000 2.565 561 S HA 0.386 4.846 4.470 -0.017 0.000 0.269 561 S C -1.169 173.341 174.600 -0.150 0.000 1.153 561 S CA -1.117 57.068 58.200 -0.026 0.000 0.835 561 S CB 1.236 64.472 63.200 0.061 0.000 1.122 561 S HN 0.146 nan 8.310 nan 0.000 0.462 562 L N 1.688 122.673 121.223 -0.397 0.000 2.313 562 L HA 0.604 4.934 4.340 -0.017 0.000 0.282 562 L C -1.199 175.619 176.870 -0.087 0.000 1.092 562 L CA -0.373 54.062 54.840 -0.676 0.000 0.831 562 L CB -0.902 40.367 42.059 -1.317 0.000 1.159 562 L HN 0.631 nan 8.230 nan 0.000 0.442 563 F N 3.906 123.709 119.950 -0.246 0.000 2.439 563 F HA 0.247 4.764 4.527 -0.016 0.000 0.356 563 F C 0.595 176.316 175.800 -0.132 0.000 1.161 563 F CA -0.627 57.293 58.000 -0.132 0.000 1.151 563 F CB -0.146 38.823 39.000 -0.052 0.000 1.222 563 F HN 0.566 nan 8.300 nan 0.000 0.558 564 D N 3.983 124.380 120.400 -0.007 0.000 2.347 564 D HA 0.363 4.992 4.640 -0.017 0.000 0.235 564 D C -0.917 175.319 176.300 -0.107 0.000 1.149 564 D CA -0.010 53.941 54.000 -0.082 0.000 0.850 564 D CB 1.032 41.769 40.800 -0.105 0.000 1.061 564 D HN 0.143 nan 8.370 nan 0.000 0.487 565 V N 4.324 124.156 119.914 -0.137 0.000 2.540 565 V HA 0.394 4.504 4.120 -0.017 0.000 0.302 565 V C -0.164 175.780 176.094 -0.251 0.000 1.035 565 V CA -0.845 61.363 62.300 -0.154 0.000 0.873 565 V CB 1.790 33.615 31.823 0.002 0.000 0.992 565 V HN 0.511 nan 8.190 nan 0.000 0.428 566 Q N 3.589 123.259 119.800 -0.216 0.000 2.490 566 Q HA 0.613 4.943 4.340 -0.017 0.000 0.255 566 Q C -1.475 174.359 176.000 -0.277 0.000 0.997 566 Q CA -0.437 55.226 55.803 -0.234 0.000 0.709 566 Q CB 1.865 30.490 28.738 -0.189 0.000 1.255 566 Q HN 0.801 nan 8.270 nan 0.000 0.486 567 V N 1.482 121.213 119.914 -0.305 0.000 2.444 567 V HA 0.856 4.966 4.120 -0.017 0.000 0.294 567 V C -0.878 174.897 176.094 -0.531 0.000 1.022 567 V CA -0.527 61.378 62.300 -0.657 0.000 0.850 567 V CB 1.037 32.191 31.823 -1.114 0.000 0.992 567 V HN 0.796 nan 8.190 nan 0.000 0.426 568 K N 2.644 122.807 120.400 -0.395 0.000 2.931 568 K HA 0.479 4.789 4.320 -0.017 0.000 0.292 568 K C -1.199 175.403 176.600 0.004 0.000 1.077 568 K CA -1.234 55.006 56.287 -0.079 0.000 0.829 568 K CB 0.932 33.385 32.500 -0.079 0.000 1.488 568 K HN 0.408 nan 8.250 nan 0.000 0.358 569 R N 0.861 121.427 120.500 0.111 0.000 2.679 569 R HA 0.160 4.490 4.340 -0.017 0.000 0.268 569 R C 0.347 176.681 176.300 0.057 0.000 1.044 569 R CA -0.373 55.804 56.100 0.129 0.000 1.105 569 R CB -0.131 30.298 30.300 0.215 0.000 0.989 569 R HN 0.469 nan 8.270 nan 0.000 0.447 570 I N 3.518 124.077 120.570 -0.018 0.000 2.533 570 I HA 0.097 4.257 4.170 -0.017 0.000 0.284 570 I C 0.424 176.395 176.117 -0.244 0.000 1.109 570 I CA 0.430 61.662 61.300 -0.114 0.000 1.412 570 I CB -0.420 37.504 38.000 -0.128 0.000 1.396 570 I HN 0.474 nan 8.210 nan 0.000 0.543 571 H N 2.735 121.697 119.070 -0.180 0.000 3.046 571 H HA 0.205 4.751 4.556 -0.017 0.000 0.363 571 H C 0.448 175.657 175.328 -0.199 0.000 1.203 571 H CA -0.521 55.458 56.048 -0.115 0.000 1.169 571 H CB 1.914 31.541 29.762 -0.226 0.000 1.851 571 H HN 0.529 nan 8.280 nan 0.000 0.546 572 E N 0.976 121.235 120.200 0.098 0.000 2.106 572 E HA -0.211 4.129 4.350 -0.017 0.000 0.192 572 E C 1.270 177.593 176.600 -0.462 0.000 0.984 572 E CA 1.279 57.653 56.400 -0.044 0.000 0.806 572 E CB 0.072 29.920 29.700 0.246 0.000 0.750 572 E HN 0.611 nan 8.360 nan 0.000 0.458 573 Y N 1.055 120.766 120.300 -0.982 0.000 2.333 573 Y HA -0.062 4.478 4.550 -0.017 0.000 0.290 573 Y C 1.482 177.096 175.900 -0.475 0.000 1.144 573 Y CA 0.987 58.342 58.100 -1.242 0.000 1.228 573 Y CB -0.093 37.714 38.460 -1.088 0.000 0.985 573 Y HN -0.207 nan 8.280 nan 0.000 0.542 574 K N 0.740 120.656 120.400 -0.806 0.000 2.418 574 K HA 0.074 4.384 4.320 -0.017 0.000 0.195 574 K C 0.073 176.492 176.600 -0.302 0.000 1.035 574 K CA 0.472 56.400 56.287 -0.599 0.000 1.003 574 K CB -0.032 32.111 32.500 -0.595 0.000 0.793 574 K HN 0.282 nan 8.250 nan 0.000 0.494 575 R N 0.661 121.017 120.500 -0.241 0.000 3.264 575 R HA -0.228 4.102 4.340 -0.017 0.000 0.251 575 R C 0.338 176.560 176.300 -0.130 0.000 0.971 575 R CA 0.183 56.197 56.100 -0.143 0.000 0.658 575 R CB -1.818 28.416 30.300 -0.110 0.000 1.095 575 R HN 0.309 nan 8.270 nan 0.000 0.443 576 Q N 0.354 120.077 119.800 -0.128 0.000 2.170 576 Q HA -0.029 4.301 4.340 -0.017 0.000 0.203 576 Q C 2.041 177.997 176.000 -0.074 0.000 0.976 576 Q CA 1.384 57.125 55.803 -0.103 0.000 0.858 576 Q CB 0.055 28.735 28.738 -0.097 0.000 0.907 576 Q HN 0.576 nan 8.270 nan 0.000 0.433 577 L N -0.391 120.791 121.223 -0.068 0.000 2.131 577 L HA -0.181 4.149 4.340 -0.017 0.000 0.210 577 L C 2.009 178.888 176.870 0.014 0.000 1.092 577 L CA 0.483 55.298 54.840 -0.041 0.000 0.759 577 L CB -0.318 41.727 42.059 -0.023 0.000 0.903 577 L HN 0.315 nan 8.230 nan 0.000 0.435 578 L N -0.158 121.067 121.223 0.004 0.000 2.093 578 L HA -0.200 4.130 4.340 -0.017 0.000 0.208 578 L C 1.974 178.918 176.870 0.123 0.000 1.085 578 L CA 1.819 56.684 54.840 0.042 0.000 0.755 578 L CB -0.795 41.191 42.059 -0.122 0.000 0.904 578 L HN 0.259 nan 8.230 nan 0.000 0.435 579 N N -1.671 117.061 118.700 0.053 0.000 2.120 579 N HA -0.234 4.496 4.740 -0.017 0.000 0.188 579 N C 1.952 177.553 175.510 0.152 0.000 1.024 579 N CA 1.601 54.753 53.050 0.171 0.000 0.852 579 N CB -0.147 38.365 38.487 0.042 0.000 1.003 579 N HN 0.487 nan 8.380 nan 0.000 0.424 580 C N 0.543 119.867 119.300 0.040 0.000 2.413 580 C HA -0.080 4.370 4.460 -0.017 0.000 0.276 580 C C 2.571 177.565 174.990 0.007 0.000 1.248 580 C CA 0.424 59.417 59.018 -0.040 0.000 1.742 580 C CB -1.242 26.421 27.740 -0.129 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.441 120.847 121.223 0.108 0.000 2.079 581 L HA -0.211 4.119 4.340 -0.017 0.000 0.210 581 L C 2.729 179.769 176.870 0.284 0.000 1.081 581 L CA 1.829 56.778 54.840 0.182 0.000 0.752 581 L CB -1.056 41.168 42.059 0.275 0.000 0.896 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N -0.186 119.012 119.070 0.214 0.000 2.357 582 H HA -0.123 4.422 4.556 -0.017 0.000 0.301 582 H C 2.241 177.574 175.328 0.008 0.000 1.082 582 H CA 1.730 57.822 56.048 0.073 0.000 1.342 582 H CB 0.394 30.115 29.762 -0.068 0.000 1.389 582 H HN 0.098 nan 8.280 nan 0.000 0.511 583 V N 1.472 121.323 119.914 -0.104 0.000 2.343 583 V HA -0.258 3.851 4.120 -0.017 0.000 0.247 583 V C 2.738 178.782 176.094 -0.084 0.000 1.051 583 V CA 1.769 63.969 62.300 -0.166 0.000 1.036 583 V CB -0.443 31.320 31.823 -0.099 0.000 0.654 583 V HN 0.391 nan 8.190 nan 0.000 0.451 584 I N -0.239 120.318 120.570 -0.021 0.000 2.493 584 I HA -0.188 3.972 4.170 -0.017 0.000 0.254 584 I C 2.435 178.627 176.117 0.125 0.000 1.160 584 I CA 1.456 62.818 61.300 0.104 0.000 1.445 584 I CB -0.596 37.453 38.000 0.082 0.000 1.086 584 I HN 0.310 nan 8.210 nan 0.000 0.433 585 T N 1.377 115.955 114.554 0.040 0.000 2.777 585 T HA -0.082 4.258 4.350 -0.017 0.000 0.266 585 T C 1.967 176.625 174.700 -0.071 0.000 1.040 585 T CA 1.179 63.293 62.100 0.023 0.000 1.141 585 T CB -0.231 68.679 68.868 0.070 0.000 0.868 585 T HN 0.247 nan 8.240 nan 0.000 0.444 586 L N -0.323 120.783 121.223 -0.196 0.000 2.046 586 L HA -0.097 4.233 4.340 -0.017 0.000 0.208 586 L C 2.406 179.245 176.870 -0.052 0.000 1.077 586 L CA 1.580 56.305 54.840 -0.192 0.000 0.747 586 L CB -0.623 41.260 42.059 -0.294 0.000 0.896 586 L HN 0.275 nan 8.230 nan 0.000 0.432 587 Y N 1.244 121.492 120.300 -0.087 0.000 2.145 587 Y HA -0.256 4.284 4.550 -0.017 0.000 0.286 587 Y C 2.286 178.181 175.900 -0.009 0.000 1.145 587 Y CA 1.920 60.010 58.100 -0.017 0.000 1.148 587 Y CB -0.497 38.005 38.460 0.070 0.000 0.981 587 Y HN 0.203 nan 8.280 nan 0.000 0.507 588 N N -0.405 118.275 118.700 -0.033 0.000 2.166 588 N HA -0.160 4.570 4.740 -0.017 0.000 0.186 588 N C 1.825 177.234 175.510 -0.168 0.000 1.019 588 N CA 0.921 53.884 53.050 -0.145 0.000 0.856 588 N CB -0.138 38.331 38.487 -0.029 0.000 0.993 588 N HN 0.358 nan 8.380 nan 0.000 0.426 589 R N 0.576 121.003 120.500 -0.122 0.000 2.092 589 R HA 0.008 4.338 4.340 -0.017 0.000 0.231 589 R C 2.014 178.233 176.300 -0.135 0.000 1.119 589 R CA 0.813 56.845 56.100 -0.112 0.000 0.970 589 R CB -0.168 30.076 30.300 -0.094 0.000 0.864 589 R HN 0.278 nan 8.270 nan 0.000 0.440 590 I N 0.776 121.245 120.570 -0.169 0.000 2.286 590 I HA -0.229 3.931 4.170 -0.017 0.000 0.245 590 I C 1.971 177.976 176.117 -0.188 0.000 1.104 590 I CA 1.055 62.256 61.300 -0.164 0.000 1.397 590 I CB -0.072 37.833 38.000 -0.158 0.000 1.072 590 I HN -0.029 nan 8.210 nan 0.000 0.417 591 K N 1.018 121.246 120.400 -0.287 0.000 2.148 591 K HA -0.126 4.184 4.320 -0.017 0.000 0.204 591 K C 1.976 178.478 176.600 -0.163 0.000 1.050 591 K CA 1.198 57.327 56.287 -0.262 0.000 0.942 591 K CB -0.285 31.982 32.500 -0.389 0.000 0.724 591 K HN 0.322 nan 8.250 nan 0.000 0.446 592 K N 0.710 121.021 120.400 -0.147 0.000 2.062 592 K HA -0.064 4.246 4.320 -0.017 0.000 0.205 592 K C 0.218 176.771 176.600 -0.078 0.000 1.051 592 K CA 0.999 57.225 56.287 -0.102 0.000 0.941 592 K CB 0.196 32.642 32.500 -0.090 0.000 0.719 592 K HN 0.142 nan 8.250 nan 0.000 0.440 593 E N 0.168 120.321 120.200 -0.078 0.000 3.037 593 E HA 0.096 4.436 4.350 -0.017 0.000 0.220 593 E C -2.189 174.376 176.600 -0.058 0.000 1.142 593 E CA -1.494 54.872 56.400 -0.055 0.000 0.888 593 E CB 1.407 31.081 29.700 -0.043 0.000 1.329 593 E HN 0.039 nan 8.360 nan 0.000 0.409 594 P HA -0.189 nan 4.420 nan 0.000 0.217 594 P C 0.472 177.753 177.300 -0.031 0.000 1.148 594 P CA 1.184 64.251 63.100 -0.054 0.000 0.828 594 P CB 0.309 31.981 31.700 -0.046 0.000 0.783 595 N N -0.641 118.050 118.700 -0.016 0.000 2.251 595 N HA 0.028 4.758 4.740 -0.017 0.000 0.217 595 N C 0.533 176.058 175.510 0.025 0.000 1.124 595 N CA 0.060 53.114 53.050 0.006 0.000 0.843 595 N CB 0.506 38.997 38.487 0.007 0.000 1.024 595 N HN 0.296 nan 8.380 nan 0.000 0.501 596 K N 0.861 121.269 120.400 0.014 0.000 2.172 596 K HA 0.122 4.432 4.320 -0.017 0.000 0.276 596 K C -0.599 176.037 176.600 0.060 0.000 1.013 596 K CA -0.508 55.803 56.287 0.041 0.000 0.913 596 K CB 0.857 33.363 32.500 0.009 0.000 1.055 596 K HN -0.181 nan 8.250 nan 0.000 0.461 597 F N 4.908 124.844 119.950 -0.023 0.000 2.471 597 F HA 0.261 4.778 4.527 -0.017 0.000 0.353 597 F C -0.597 175.188 175.800 -0.026 0.000 1.113 597 F CA -0.029 57.958 58.000 -0.021 0.000 1.262 597 F CB 0.723 39.713 39.000 -0.016 0.000 1.146 597 F HN 0.216 nan 8.300 nan 0.000 0.578 598 V N 3.716 122.979 119.914 -1.085 0.000 2.888 598 V HA 0.470 4.580 4.120 -0.017 0.000 0.309 598 V C -0.794 174.658 176.094 -1.070 0.000 1.114 598 V CA -1.287 60.542 62.300 -0.784 0.000 0.940 598 V CB 0.815 32.407 31.823 -0.384 0.000 1.021 598 V HN 0.637 nan 8.190 nan 0.000 0.426 599 V N 4.797 124.364 119.914 -0.578 0.000 2.475 599 V HA 0.164 4.274 4.120 -0.017 0.000 0.292 599 V C -1.814 174.099 176.094 -0.302 0.000 1.003 599 V CA -0.278 61.832 62.300 -0.316 0.000 1.120 599 V CB 0.332 32.092 31.823 -0.106 0.000 0.937 599 V HN 0.899 nan 8.190 nan 0.000 0.476 600 P HA 0.311 nan 4.420 nan 0.000 0.268 600 P C -0.348 176.846 177.300 -0.177 0.000 1.204 600 P CA 0.036 63.032 63.100 -0.173 0.000 0.768 600 P CB 0.542 32.191 31.700 -0.086 0.000 0.842 601 R N 1.156 121.565 120.500 -0.151 0.000 2.795 601 R HA 0.637 4.967 4.340 -0.017 0.000 0.275 601 R C -0.761 175.486 176.300 -0.088 0.000 0.981 601 R CA -0.685 55.329 56.100 -0.145 0.000 0.917 601 R CB 2.018 32.217 30.300 -0.168 0.000 1.202 601 R HN 0.273 nan 8.270 nan 0.000 0.469 602 T N 1.675 116.191 114.554 -0.063 0.000 2.864 602 T HA 0.235 4.575 4.350 -0.017 0.000 0.310 602 T C -0.548 174.060 174.700 -0.152 0.000 1.040 602 T CA -0.480 61.546 62.100 -0.123 0.000 0.977 602 T CB 1.144 69.881 68.868 -0.218 0.000 0.976 602 T HN 0.138 nan 8.240 nan 0.000 0.459 603 V N 5.905 125.738 119.914 -0.136 0.000 2.385 603 V HA 0.412 4.522 4.120 -0.017 0.000 0.269 603 V C 0.109 176.116 176.094 -0.146 0.000 1.043 603 V CA -0.346 61.879 62.300 -0.126 0.000 0.906 603 V CB 0.559 32.325 31.823 -0.096 0.000 0.995 603 V HN 0.840 nan 8.190 nan 0.000 0.467 604 M N 6.777 126.278 119.600 -0.166 0.000 2.227 604 M HA 0.618 5.088 4.480 -0.017 0.000 0.335 604 M C -0.946 175.229 176.300 -0.207 0.000 1.053 604 M CA -0.166 55.022 55.300 -0.188 0.000 0.973 604 M CB 1.920 34.399 32.600 -0.202 0.000 1.623 604 M HN 0.405 nan 8.290 nan 0.000 0.434 605 I N 1.913 122.334 120.570 -0.248 0.000 2.498 605 I HA 0.816 4.976 4.170 -0.017 0.000 0.290 605 I C 0.046 175.790 176.117 -0.622 0.000 1.032 605 I CA -0.628 60.493 61.300 -0.298 0.000 1.073 605 I CB 2.275 40.193 38.000 -0.138 0.000 1.251 605 I HN 0.818 nan 8.210 nan 0.000 0.426 606 G N 3.002 111.420 108.800 -0.637 0.000 2.690 606 G HA2 0.844 4.794 3.960 -0.017 0.000 0.293 606 G HA3 0.844 4.794 3.960 -0.017 0.000 0.293 606 G C -0.975 173.647 174.900 -0.463 0.000 1.399 606 G CA -0.785 43.801 45.100 -0.857 0.000 0.890 606 G HN 0.992 nan 8.290 nan 0.000 0.485 607 G N -0.435 108.263 108.800 -0.171 0.000 2.329 607 G HA2 0.397 4.347 3.960 -0.017 0.000 0.308 607 G HA3 0.397 4.347 3.960 -0.017 0.000 0.308 607 G C -1.256 173.788 174.900 0.241 0.000 1.587 607 G CA -1.041 44.113 45.100 0.089 0.000 0.978 607 G HN 0.618 nan 8.290 nan 0.000 0.685 608 K N -0.069 120.454 120.400 0.205 0.000 2.110 608 K HA 0.769 5.079 4.320 -0.017 0.000 0.263 608 K C 0.293 177.007 176.600 0.191 0.000 0.975 608 K CA -0.168 56.253 56.287 0.223 0.000 0.895 608 K CB 2.066 34.610 32.500 0.074 0.000 1.060 608 K HN 0.904 nan 8.250 nan 0.000 0.448 609 A N 1.369 124.326 122.820 0.229 0.000 2.324 609 A HA 0.662 4.972 4.320 -0.017 0.000 0.330 609 A C -0.451 177.271 177.584 0.230 0.000 1.165 609 A CA -0.754 51.346 52.037 0.105 0.000 0.813 609 A CB 1.020 20.009 19.000 -0.018 0.000 1.197 609 A HN 0.777 nan 8.150 nan 0.000 0.484 610 A N 3.255 126.197 122.820 0.204 0.000 2.498 610 A HA 0.476 4.786 4.320 -0.017 0.000 0.239 610 A C -1.333 176.326 177.584 0.125 0.000 1.068 610 A CA -0.790 51.380 52.037 0.222 0.000 0.766 610 A CB -0.396 18.712 19.000 0.180 0.000 1.003 610 A HN 0.598 nan 8.150 nan 0.000 0.497 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.204 178.494 177.300 -0.017 0.000 1.148 611 P CA 2.072 65.118 63.100 -0.089 0.000 0.834 611 P CB 0.175 31.772 31.700 -0.172 0.000 0.783 612 G N -3.321 105.494 108.800 0.025 0.000 3.337 612 G HA2 -0.067 3.883 3.960 -0.017 0.000 0.246 612 G HA3 -0.067 3.883 3.960 -0.017 0.000 0.246 612 G C -0.339 174.602 174.900 0.068 0.000 1.131 612 G CA 0.000 45.117 45.100 0.028 0.000 0.773 612 G HN 0.146 nan 8.290 nan 0.000 0.544 613 Y N 2.058 122.311 120.300 -0.078 0.000 2.636 613 Y HA 0.270 4.810 4.550 -0.017 0.000 0.341 613 Y C 1.420 177.317 175.900 -0.005 0.000 1.169 613 Y CA -2.024 56.019 58.100 -0.095 0.000 1.498 613 Y CB -0.375 37.996 38.460 -0.148 0.000 1.362 613 Y HN 0.402 nan 8.280 nan 0.000 0.494 614 H N 3.379 122.567 119.070 0.198 0.000 2.289 614 H HA -0.270 4.276 4.556 -0.017 0.000 0.294 614 H C 1.977 177.347 175.328 0.071 0.000 1.095 614 H CA 2.992 59.105 56.048 0.108 0.000 1.256 614 H CB 0.173 29.988 29.762 0.089 0.000 1.359 614 H HN 0.588 nan 8.280 nan 0.000 0.487 615 M N 0.328 119.900 119.600 -0.047 0.000 2.117 615 M HA -0.042 4.428 4.480 -0.017 0.000 0.262 615 M C 2.413 178.480 176.300 -0.389 0.000 1.065 615 M CA 1.899 57.075 55.300 -0.208 0.000 1.114 615 M CB -0.787 31.841 32.600 0.047 0.000 1.361 615 M HN 0.411 nan 8.290 nan 0.000 0.408 616 A N -0.417 121.936 122.820 -0.778 0.000 1.933 616 A HA -0.202 4.108 4.320 -0.017 0.000 0.218 616 A C 2.199 179.572 177.584 -0.351 0.000 1.175 616 A CA 1.924 53.509 52.037 -0.754 0.000 0.628 616 A CB -0.653 17.647 19.000 -1.167 0.000 0.814 616 A HN 0.594 nan 8.150 nan 0.000 0.444 617 K N -1.248 119.014 120.400 -0.231 0.000 2.155 617 K HA -0.007 4.303 4.320 -0.017 0.000 0.203 617 K C 1.930 178.516 176.600 -0.024 0.000 1.052 617 K CA 1.112 57.364 56.287 -0.058 0.000 0.948 617 K CB -0.180 32.355 32.500 0.058 0.000 0.728 617 K HN 0.332 nan 8.250 nan 0.000 0.448 618 M N 0.547 120.083 119.600 -0.105 0.000 2.175 618 M HA -0.077 4.393 4.480 -0.017 0.000 0.264 618 M C 2.105 178.347 176.300 -0.097 0.000 1.063 618 M CA 1.410 56.681 55.300 -0.048 0.000 1.119 618 M CB -0.585 31.939 32.600 -0.126 0.000 1.377 618 M HN 0.120 nan 8.290 nan 0.000 0.415 619 I N -0.172 120.299 120.570 -0.166 0.000 2.226 619 I HA -0.304 3.855 4.170 -0.017 0.000 0.245 619 I C 2.284 178.270 176.117 -0.219 0.000 1.100 619 I CA 1.062 62.249 61.300 -0.187 0.000 1.374 619 I CB -0.270 37.618 38.000 -0.187 0.000 1.057 619 I HN 0.175 nan 8.210 nan 0.000 0.413 620 I N 0.574 120.997 120.570 -0.246 0.000 2.226 620 I HA -0.295 3.865 4.170 -0.017 0.000 0.245 620 I C 2.553 178.387 176.117 -0.472 0.000 1.100 620 I CA 1.204 62.262 61.300 -0.403 0.000 1.374 620 I CB -0.275 37.456 38.000 -0.448 0.000 1.057 620 I HN 0.145 nan 8.210 nan 0.000 0.413 621 K N 1.293 121.424 120.400 -0.450 0.000 2.147 621 K HA -0.189 4.121 4.320 -0.017 0.000 0.205 621 K C 1.922 178.338 176.600 -0.307 0.000 1.049 621 K CA 1.367 57.279 56.287 -0.625 0.000 0.936 621 K CB -0.422 31.340 32.500 -1.230 0.000 0.722 621 K HN 0.148 nan 8.250 nan 0.000 0.446 622 L N 0.480 121.547 121.223 -0.261 0.000 2.093 622 L HA 0.049 4.379 4.340 -0.017 0.000 0.208 622 L C 1.870 178.493 176.870 -0.411 0.000 1.085 622 L CA 1.488 56.011 54.840 -0.529 0.000 0.755 622 L CB -0.301 41.317 42.059 -0.735 0.000 0.904 622 L HN 0.240 nan 8.230 nan 0.000 0.435 623 I N -0.484 119.907 120.570 -0.297 0.000 2.179 623 I HA -0.316 3.844 4.170 -0.017 0.000 0.242 623 I C 2.451 178.472 176.117 -0.161 0.000 1.088 623 I CA 1.838 63.025 61.300 -0.188 0.000 1.357 623 I CB -0.843 37.147 38.000 -0.017 0.000 1.051 623 I HN 0.473 nan 8.210 nan 0.000 0.409 624 T N -0.836 113.598 114.554 -0.199 0.000 2.821 624 T HA -0.065 4.275 4.350 -0.017 0.000 0.267 624 T C 1.978 176.612 174.700 -0.110 0.000 1.046 624 T CA 0.931 62.944 62.100 -0.144 0.000 1.139 624 T CB -0.470 68.272 68.868 -0.210 0.000 0.871 624 T HN 0.335 nan 8.240 nan 0.000 0.454 625 A N 1.320 124.065 122.820 -0.125 0.000 1.930 625 A HA 0.169 4.479 4.320 -0.017 0.000 0.217 625 A C 2.355 179.940 177.584 0.002 0.000 1.175 625 A CA 1.147 53.176 52.037 -0.014 0.000 0.627 625 A CB -0.787 18.300 19.000 0.145 0.000 0.815 625 A HN 0.585 nan 8.150 nan 0.000 0.443 626 I N -0.370 120.088 120.570 -0.185 0.000 2.252 626 I HA -0.174 3.986 4.170 -0.017 0.000 0.245 626 I C 2.701 178.767 176.117 -0.086 0.000 1.102 626 I CA 1.109 62.264 61.300 -0.242 0.000 1.385 626 I CB -0.531 37.200 38.000 -0.449 0.000 1.064 626 I HN 0.384 nan 8.210 nan 0.000 0.414 627 G N 0.307 109.056 108.800 -0.085 0.000 2.442 627 G HA2 -0.256 3.694 3.960 -0.017 0.000 0.219 627 G HA3 -0.256 3.694 3.960 -0.017 0.000 0.219 627 G C 1.251 176.156 174.900 0.010 0.000 1.141 627 G CA 0.933 46.002 45.100 -0.052 0.000 0.763 627 G HN 0.285 nan 8.290 nan 0.000 0.554 628 D N -0.045 120.387 120.400 0.054 0.000 2.182 628 D HA -0.070 4.560 4.640 -0.017 0.000 0.201 628 D C 2.629 179.022 176.300 0.155 0.000 0.986 628 D CA 0.602 54.689 54.000 0.145 0.000 0.847 628 D CB -0.006 40.824 40.800 0.049 0.000 0.942 628 D HN 0.275 nan 8.370 nan 0.000 0.467 629 V N -0.022 119.911 119.914 0.030 0.000 2.341 629 V HA -0.115 3.995 4.120 -0.017 0.000 0.240 629 V C 2.587 178.614 176.094 -0.111 0.000 1.035 629 V CA 0.567 62.815 62.300 -0.088 0.000 1.033 629 V CB -0.263 31.420 31.823 -0.233 0.000 0.678 629 V HN -0.002 nan 8.190 nan 0.000 0.464 630 V N 1.313 121.108 119.914 -0.199 0.000 2.255 630 V HA -0.256 3.854 4.120 -0.017 0.000 0.247 630 V C 2.145 178.207 176.094 -0.054 0.000 1.051 630 V CA 2.292 64.489 62.300 -0.172 0.000 1.018 630 V CB -0.943 30.788 31.823 -0.154 0.000 0.641 630 V HN 0.595 nan 8.190 nan 0.000 0.445 631 N N -0.594 118.029 118.700 -0.128 0.000 2.573 631 N HA -0.100 4.630 4.740 -0.017 0.000 0.187 631 N C 1.256 176.497 175.510 -0.448 0.000 1.107 631 N CA 0.903 53.788 53.050 -0.274 0.000 0.918 631 N CB -0.297 37.965 38.487 -0.375 0.000 0.966 631 N HN 0.638 nan 8.380 nan 0.000 0.448 632 H N -1.290 117.784 119.070 0.008 0.000 2.784 632 H HA 0.139 4.685 4.556 -0.016 0.000 0.273 632 H C -0.418 174.927 175.328 0.029 0.000 1.112 632 H CA -0.351 55.703 56.048 0.011 0.000 1.162 632 H CB 0.872 30.628 29.762 -0.009 0.000 1.586 632 H HN 0.090 nan 8.280 nan 0.000 0.548 633 D N 3.144 123.620 120.400 0.126 0.000 2.316 633 D HA 0.061 4.691 4.640 -0.017 0.000 0.245 633 D C -1.432 174.928 176.300 0.101 0.000 1.171 633 D CA -1.996 52.092 54.000 0.147 0.000 0.856 633 D CB 2.186 43.148 40.800 0.271 0.000 1.090 633 D HN 0.081 nan 8.370 nan 0.000 0.476 634 P HA -0.115 nan 4.420 nan 0.000 0.222 634 P C 1.470 178.793 177.300 0.038 0.000 1.147 634 P CA 0.361 63.490 63.100 0.049 0.000 0.790 634 P CB 0.520 32.245 31.700 0.041 0.000 0.780 635 V N -0.183 119.756 119.914 0.040 0.000 2.548 635 V HA -0.139 3.971 4.120 -0.017 0.000 0.249 635 V C 2.745 178.846 176.094 0.010 0.000 1.055 635 V CA 1.319 63.628 62.300 0.015 0.000 1.065 635 V CB -0.820 31.001 31.823 -0.004 0.000 0.681 635 V HN -0.040 nan 8.190 nan 0.000 0.462 636 V N -0.130 119.807 119.914 0.038 0.000 2.283 636 V HA 0.141 4.251 4.120 -0.017 0.000 0.243 636 V C 1.860 177.966 176.094 0.021 0.000 1.039 636 V CA 1.537 63.860 62.300 0.037 0.000 1.016 636 V CB -1.286 30.606 31.823 0.115 0.000 0.650 636 V HN 0.695 nan 8.190 nan 0.000 0.449 637 G N 1.617 110.434 108.800 0.029 0.000 2.596 637 G HA2 -0.408 3.542 3.960 -0.017 0.000 0.295 637 G HA3 -0.408 3.542 3.960 -0.017 0.000 0.295 637 G C 0.267 175.177 174.900 0.018 0.000 1.240 637 G CA 0.626 45.739 45.100 0.021 0.000 0.985 637 G HN 0.723 nan 8.290 nan 0.000 0.555 638 D N 0.314 120.729 120.400 0.026 0.000 2.323 638 D HA 0.204 4.834 4.640 -0.017 0.000 0.239 638 D C 1.914 178.214 176.300 -0.001 0.000 1.129 638 D CA 0.478 54.498 54.000 0.034 0.000 0.865 638 D CB -0.049 40.794 40.800 0.071 0.000 0.913 638 D HN 0.614 nan 8.370 nan 0.000 0.517 639 R N -0.822 119.664 120.500 -0.024 0.000 2.200 639 R HA 0.276 4.606 4.340 -0.017 0.000 0.208 639 R C -0.087 176.165 176.300 -0.081 0.000 1.033 639 R CA 0.214 56.271 56.100 -0.071 0.000 1.000 639 R CB 0.221 30.465 30.300 -0.092 0.000 0.906 639 R HN 0.161 nan 8.270 nan 0.000 0.462 640 L N 0.009 121.204 121.223 -0.047 0.000 2.526 640 L HA 0.429 4.759 4.340 -0.017 0.000 0.263 640 L C -1.713 175.133 176.870 -0.040 0.000 0.943 640 L CA -0.680 54.130 54.840 -0.050 0.000 0.859 640 L CB 2.031 44.073 42.059 -0.027 0.000 1.313 640 L HN -0.188 nan 8.230 nan 0.000 0.406 641 R N 3.024 123.485 120.500 -0.066 0.000 2.538 641 R HA 0.841 5.171 4.340 -0.017 0.000 0.292 641 R C -1.820 174.422 176.300 -0.096 0.000 1.008 641 R CA -0.551 55.501 56.100 -0.079 0.000 0.896 641 R CB 2.210 32.458 30.300 -0.086 0.000 1.187 641 R HN 0.456 nan 8.270 nan 0.000 0.440 642 V N 5.898 125.756 119.914 -0.093 0.000 2.357 642 V HA 0.514 4.624 4.120 -0.017 0.000 0.284 642 V C -0.380 175.667 176.094 -0.079 0.000 1.018 642 V CA -0.744 61.501 62.300 -0.092 0.000 0.841 642 V CB 1.453 33.220 31.823 -0.093 0.000 0.991 642 V HN 0.561 nan 8.190 nan 0.000 0.437 643 I N 4.803 125.321 120.570 -0.087 0.000 2.465 643 I HA 0.430 4.590 4.170 -0.017 0.000 0.291 643 I C -0.615 175.472 176.117 -0.051 0.000 1.014 643 I CA -0.904 60.355 61.300 -0.067 0.000 1.093 643 I CB 1.794 39.728 38.000 -0.110 0.000 1.267 643 I HN 0.577 nan 8.210 nan 0.000 0.431 644 F N 6.614 126.500 119.950 -0.107 0.000 2.391 644 F HA 0.452 4.970 4.527 -0.016 0.000 0.359 644 F C -0.258 175.482 175.800 -0.100 0.000 1.122 644 F CA -0.513 57.426 58.000 -0.101 0.000 1.120 644 F CB 0.739 39.683 39.000 -0.093 0.000 1.142 644 F HN 0.254 nan 8.300 nan 0.000 0.483 645 L N 6.360 127.187 121.223 -0.661 0.000 2.342 645 L HA 0.181 4.511 4.340 -0.017 0.000 0.285 645 L C 0.449 177.096 176.870 -0.371 0.000 1.095 645 L CA -0.159 54.436 54.840 -0.408 0.000 0.843 645 L CB 0.470 42.367 42.059 -0.271 0.000 1.201 645 L HN 0.646 nan 8.230 nan 0.000 0.445 646 E N 4.454 124.572 120.200 -0.135 0.000 2.384 646 E HA -0.094 4.246 4.350 -0.017 0.000 0.266 646 E C 0.304 176.972 176.600 0.114 0.000 1.012 646 E CA -0.335 56.124 56.400 0.099 0.000 0.901 646 E CB 0.421 30.178 29.700 0.095 0.000 0.967 646 E HN 0.565 nan 8.360 nan 0.000 0.435 647 N N 2.619 121.447 118.700 0.213 0.000 2.727 647 N HA -0.274 4.456 4.740 -0.017 0.000 0.251 647 N C -1.558 174.055 175.510 0.172 0.000 1.040 647 N CA 0.560 53.725 53.050 0.193 0.000 0.712 647 N CB -1.604 37.009 38.487 0.210 0.000 0.912 647 N HN 0.497 nan 8.380 nan 0.000 0.545 648 Y N 1.638 121.954 120.300 0.027 0.000 2.620 648 Y HA 0.213 4.752 4.550 -0.017 0.000 0.330 648 Y C 1.142 177.069 175.900 0.046 0.000 1.186 648 Y CA 0.456 58.559 58.100 0.005 0.000 1.467 648 Y CB 0.390 38.819 38.460 -0.051 0.000 1.262 648 Y HN 0.370 nan 8.280 nan 0.000 0.550 649 R N 2.552 122.742 120.500 -0.517 0.000 2.762 649 R HA 0.394 4.724 4.340 -0.017 0.000 0.271 649 R C -0.438 175.531 176.300 -0.552 0.000 1.038 649 R CA -0.525 55.355 56.100 -0.366 0.000 0.906 649 R CB 0.336 30.622 30.300 -0.023 0.000 1.259 649 R HN 0.399 nan 8.270 nan 0.000 0.457 650 V N 1.181 120.807 119.914 -0.480 0.000 2.332 650 V HA -0.278 3.832 4.120 -0.017 0.000 0.248 650 V C 2.589 178.572 176.094 -0.186 0.000 1.055 650 V CA 2.815 64.895 62.300 -0.368 0.000 1.038 650 V CB -0.817 30.737 31.823 -0.449 0.000 0.651 650 V HN 0.914 nan 8.190 nan 0.000 0.450 651 S N 0.029 115.645 115.700 -0.139 0.000 2.402 651 S HA -0.150 4.310 4.470 -0.017 0.000 0.229 651 S C 1.909 176.463 174.600 -0.076 0.000 1.021 651 S CA 1.495 59.636 58.200 -0.098 0.000 0.974 651 S CB -0.456 62.718 63.200 -0.044 0.000 0.800 651 S HN 0.401 nan 8.310 nan 0.000 0.484 652 L N 1.941 123.130 121.223 -0.055 0.000 2.131 652 L HA 0.357 4.687 4.340 -0.017 0.000 0.206 652 L C 2.644 179.538 176.870 0.041 0.000 1.087 652 L CA 1.346 56.208 54.840 0.037 0.000 0.767 652 L CB -1.293 40.851 42.059 0.142 0.000 0.917 652 L HN 0.341 nan 8.230 nan 0.000 0.441 653 A N -0.691 122.115 122.820 -0.022 0.000 1.933 653 A HA -0.224 4.085 4.320 -0.017 0.000 0.218 653 A C 2.120 179.776 177.584 0.120 0.000 1.175 653 A CA 1.784 53.887 52.037 0.110 0.000 0.628 653 A CB -0.601 18.439 19.000 0.066 0.000 0.814 653 A HN 0.596 nan 8.150 nan 0.000 0.444 654 E N -0.602 119.650 120.200 0.086 0.000 2.338 654 E HA -0.148 4.192 4.350 -0.017 0.000 0.197 654 E C 1.812 178.385 176.600 -0.044 0.000 1.007 654 E CA 1.043 57.443 56.400 -0.000 0.000 0.849 654 E CB -0.025 29.566 29.700 -0.182 0.000 0.774 654 E HN 0.618 nan 8.360 nan 0.000 0.506 655 K N -0.025 120.340 120.400 -0.059 0.000 2.172 655 K HA 0.032 4.342 4.320 -0.017 0.000 0.203 655 K C 2.109 178.580 176.600 -0.215 0.000 1.040 655 K CA 0.305 56.558 56.287 -0.056 0.000 0.974 655 K CB -0.023 32.460 32.500 -0.028 0.000 0.857 655 K HN -0.077 nan 8.250 nan 0.000 0.464 656 V N 2.033 121.703 119.914 -0.406 0.000 2.453 656 V HA -0.164 3.946 4.120 -0.017 0.000 0.247 656 V C 1.926 177.776 176.094 -0.407 0.000 1.048 656 V CA 1.379 63.189 62.300 -0.817 0.000 1.049 656 V CB -0.195 31.231 31.823 -0.661 0.000 0.672 656 V HN 0.273 nan 8.190 nan 0.000 0.457 657 I N 0.672 121.055 120.570 -0.312 0.000 2.163 657 I HA -0.150 4.010 4.170 -0.017 0.000 0.243 657 I C -0.227 175.776 176.117 -0.190 0.000 1.085 657 I CA 1.737 62.781 61.300 -0.428 0.000 1.347 657 I CB -1.643 35.985 38.000 -0.620 0.000 1.044 657 I HN 0.376 nan 8.210 nan 0.000 0.408 658 P HA -0.113 nan 4.420 nan 0.000 0.225 658 P C 0.851 178.155 177.300 0.007 0.000 1.148 658 P CA 1.188 64.271 63.100 -0.028 0.000 0.779 658 P CB 0.033 31.727 31.700 -0.010 0.000 0.780 659 A N -1.310 121.503 122.820 -0.012 0.000 2.308 659 A HA 0.510 4.820 4.320 -0.017 0.000 0.217 659 A C 1.128 178.823 177.584 0.185 0.000 1.216 659 A CA 0.033 52.120 52.037 0.084 0.000 0.864 659 A CB -0.544 18.541 19.000 0.140 0.000 0.902 659 A HN 0.189 nan 8.150 nan 0.000 0.499 660 A N -0.127 122.796 122.820 0.173 0.000 2.388 660 A HA 0.475 4.785 4.320 -0.017 0.000 0.257 660 A C 0.373 178.107 177.584 0.250 0.000 1.095 660 A CA -0.108 52.096 52.037 0.277 0.000 0.791 660 A CB 0.341 19.622 19.000 0.468 0.000 1.029 660 A HN 0.261 nan 8.150 nan 0.000 0.489 661 D N 0.168 120.711 120.400 0.238 0.000 2.431 661 D HA 0.117 4.747 4.640 -0.017 0.000 0.235 661 D C -0.256 176.260 176.300 0.360 0.000 0.980 661 D CA 0.769 54.965 54.000 0.326 0.000 0.912 661 D CB 0.240 41.139 40.800 0.166 0.000 1.056 661 D HN 0.357 nan 8.370 nan 0.000 0.494 662 L N 0.679 121.992 121.223 0.149 0.000 2.333 662 L HA 0.369 4.699 4.340 -0.017 0.000 0.280 662 L C -0.668 176.064 176.870 -0.230 0.000 1.004 662 L CA -0.481 54.366 54.840 0.011 0.000 0.820 662 L CB 2.029 44.074 42.059 -0.024 0.000 1.247 662 L HN -0.277 nan 8.230 nan 0.000 0.416 663 S N 4.149 119.618 115.700 -0.384 0.000 2.429 663 S HA 0.441 4.901 4.470 -0.017 0.000 0.302 663 S C -0.607 173.692 174.600 -0.501 0.000 1.115 663 S CA -0.649 57.064 58.200 -0.812 0.000 1.095 663 S CB 0.352 63.026 63.200 -0.877 0.000 0.987 663 S HN 0.627 nan 8.310 nan 0.000 0.474 664 E N 4.115 124.033 120.200 -0.470 0.000 2.089 664 E HA 0.212 4.552 4.350 -0.017 0.000 0.284 664 E C -0.544 175.930 176.600 -0.209 0.000 1.023 664 E CA -0.413 55.843 56.400 -0.240 0.000 0.819 664 E CB 1.003 30.597 29.700 -0.176 0.000 1.076 664 E HN 0.602 nan 8.360 nan 0.000 0.396 665 Q N 2.840 122.571 119.800 -0.116 0.000 3.122 665 Q HA 0.254 4.584 4.340 -0.017 0.000 0.282 665 Q C 0.658 176.633 176.000 -0.041 0.000 0.947 665 Q CA -0.121 55.630 55.803 -0.088 0.000 0.812 665 Q CB 0.252 28.950 28.738 -0.066 0.000 1.333 665 Q HN 0.625 nan 8.270 nan 0.000 0.430 666 I N -1.680 118.850 120.570 -0.066 0.000 3.805 666 I HA 0.250 4.410 4.170 -0.017 0.000 0.337 666 I C 0.466 176.519 176.117 -0.107 0.000 1.539 666 I CA -0.614 60.651 61.300 -0.057 0.000 1.176 666 I CB 0.280 38.231 38.000 -0.081 0.000 1.248 666 I HN 0.004 nan 8.210 nan 0.000 0.437 667 S N 0.482 116.120 115.700 -0.104 0.000 2.573 667 S HA 0.164 4.624 4.470 -0.017 0.000 0.277 667 S C 0.568 175.147 174.600 -0.036 0.000 1.346 667 S CA -0.288 57.868 58.200 -0.072 0.000 1.034 667 S CB 0.345 63.546 63.200 0.001 0.000 0.879 667 S HN 0.389 nan 8.310 nan 0.000 0.528 668 T N 2.765 117.336 114.554 0.029 0.000 2.908 668 T HA 0.370 4.710 4.350 -0.017 0.000 0.301 668 T C 0.760 175.471 174.700 0.018 0.000 1.019 668 T CA 0.310 62.435 62.100 0.041 0.000 1.152 668 T CB -0.017 68.952 68.868 0.169 0.000 0.966 668 T HN 1.026 nan 8.240 nan 0.000 0.540 669 A N 2.661 125.457 122.820 -0.041 0.000 2.566 669 A HA 0.449 4.759 4.320 -0.017 0.000 0.245 669 A C 1.646 179.222 177.584 -0.013 0.000 1.056 669 A CA 0.301 52.311 52.037 -0.046 0.000 0.757 669 A CB -0.906 18.051 19.000 -0.071 0.000 0.979 669 A HN 1.703 nan 8.150 nan 0.000 0.508 670 G N 1.410 110.203 108.800 -0.011 0.000 2.176 670 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.232 670 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.232 670 G C 0.892 175.789 174.900 -0.004 0.000 0.986 670 G CA 1.137 46.233 45.100 -0.006 0.000 0.643 670 G HN 1.985 nan 8.290 nan 0.000 0.522 671 T N -2.432 112.127 114.554 0.009 0.000 3.018 671 T HA 0.404 4.744 4.350 -0.017 0.000 0.246 671 T C 0.762 175.368 174.700 -0.158 0.000 1.026 671 T CA 1.083 63.148 62.100 -0.059 0.000 1.081 671 T CB 0.535 69.440 68.868 0.061 0.000 0.970 671 T HN 0.285 nan 8.240 nan 0.000 0.475 672 E N 1.492 121.708 120.200 0.027 0.000 2.052 672 E HA 0.660 5.000 4.350 -0.017 0.000 0.283 672 E C 1.167 177.727 176.600 -0.065 0.000 1.071 672 E CA 0.064 56.508 56.400 0.075 0.000 0.851 672 E CB 0.804 30.584 29.700 0.133 0.000 1.066 672 E HN 0.337 nan 8.360 nan 0.000 0.396 673 A N 3.435 126.138 122.820 -0.196 0.000 1.927 673 A HA -0.226 4.084 4.320 -0.017 0.000 0.220 673 A C 1.965 179.420 177.584 -0.215 0.000 1.185 673 A CA 2.316 54.098 52.037 -0.425 0.000 0.639 673 A CB -0.245 18.259 19.000 -0.828 0.000 0.820 673 A HN 0.615 nan 8.150 nan 0.000 0.451 674 S N -4.199 111.436 115.700 -0.108 0.000 3.916 674 S HA 0.446 4.906 4.470 -0.017 0.000 0.231 674 S C 0.675 175.264 174.600 -0.018 0.000 1.161 674 S CA 1.369 59.550 58.200 -0.031 0.000 0.938 674 S CB -0.182 63.020 63.200 0.005 0.000 1.170 674 S HN 2.313 nan 8.310 nan 0.000 0.508 675 G N 0.287 109.081 108.800 -0.010 0.000 2.705 675 G HA2 -0.021 3.929 3.960 -0.017 0.000 0.686 675 G HA3 -0.021 3.929 3.960 -0.017 0.000 0.686 675 G C 0.221 175.101 174.900 -0.032 0.000 1.285 675 G CA 0.445 45.535 45.100 -0.016 0.000 0.800 675 G HN 1.375 nan 8.290 nan 0.000 0.611 676 T N -2.207 112.312 114.554 -0.057 0.000 3.029 676 T HA 0.379 4.719 4.350 -0.017 0.000 0.256 676 T C 2.301 176.902 174.700 -0.165 0.000 0.914 676 T CA 1.212 63.251 62.100 -0.102 0.000 0.880 676 T CB 0.347 69.142 68.868 -0.121 0.000 1.246 676 T HN 1.879 nan 8.240 nan 0.000 0.523 677 G N 3.240 111.971 108.800 -0.116 0.000 2.422 677 G HA2 -0.230 3.720 3.960 -0.017 0.000 0.218 677 G HA3 -0.230 3.720 3.960 -0.017 0.000 0.218 677 G C 1.542 176.484 174.900 0.069 0.000 1.146 677 G CA 1.227 46.274 45.100 -0.088 0.000 0.769 677 G HN 0.667 nan 8.290 nan 0.000 0.547 678 N N 1.166 119.889 118.700 0.038 0.000 2.104 678 N HA -0.158 4.572 4.740 -0.017 0.000 0.190 678 N C 2.014 177.523 175.510 -0.002 0.000 1.024 678 N CA 1.760 54.834 53.050 0.039 0.000 0.853 678 N CB -0.724 37.738 38.487 -0.042 0.000 1.008 678 N HN 0.394 nan 8.380 nan 0.000 0.424 679 M N 0.196 119.734 119.600 -0.103 0.000 2.175 679 M HA 0.004 4.474 4.480 -0.017 0.000 0.264 679 M C 1.976 178.238 176.300 -0.064 0.000 1.063 679 M CA 1.402 56.629 55.300 -0.121 0.000 1.119 679 M CB -0.184 32.361 32.600 -0.091 0.000 1.377 679 M HN 0.111 nan 8.290 nan 0.000 0.415 680 K N -0.046 120.253 120.400 -0.169 0.000 2.057 680 K HA -0.112 4.198 4.320 -0.017 0.000 0.207 680 K C 1.716 178.226 176.600 -0.150 0.000 1.049 680 K CA 1.389 57.520 56.287 -0.260 0.000 0.931 680 K CB -0.265 31.867 32.500 -0.612 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.110 120.995 119.950 -0.107 0.000 2.146 681 F HA -0.126 4.391 4.527 -0.017 0.000 0.298 681 F C 2.560 178.332 175.800 -0.047 0.000 1.096 681 F CA 1.211 59.169 58.000 -0.071 0.000 1.275 681 F CB -0.288 38.656 39.000 -0.095 0.000 1.008 681 F HN 0.001 nan 8.300 nan 0.000 0.480 682 M N -0.414 119.270 119.600 0.140 0.000 2.086 682 M HA -0.205 4.265 4.480 -0.017 0.000 0.261 682 M C 2.182 178.536 176.300 0.091 0.000 1.067 682 M CA 1.652 57.004 55.300 0.086 0.000 1.116 682 M CB -0.314 32.329 32.600 0.072 0.000 1.348 682 M HN 0.258 nan 8.290 nan 0.000 0.407 683 L N 0.779 122.057 121.223 0.091 0.000 2.191 683 L HA -0.119 4.211 4.340 -0.017 0.000 0.212 683 L C 0.912 177.827 176.870 0.075 0.000 1.103 683 L CA 1.886 56.785 54.840 0.097 0.000 0.769 683 L CB -0.677 41.451 42.059 0.115 0.000 0.908 683 L HN 0.350 nan 8.230 nan 0.000 0.438 684 N N -0.280 118.457 118.700 0.063 0.000 2.268 684 N HA 0.325 5.055 4.740 -0.017 0.000 0.204 684 N C 0.679 176.225 175.510 0.059 0.000 1.124 684 N CA 0.672 53.752 53.050 0.051 0.000 0.838 684 N CB 0.559 39.057 38.487 0.019 0.000 0.994 684 N HN 0.367 nan 8.380 nan 0.000 0.489 685 G N -0.659 108.180 108.800 0.065 0.000 2.130 685 G HA2 -0.137 3.813 3.960 -0.017 0.000 0.216 685 G HA3 -0.137 3.813 3.960 -0.017 0.000 0.216 685 G C -0.078 174.884 174.900 0.105 0.000 0.999 685 G CA 0.009 45.146 45.100 0.062 0.000 0.686 685 G HN 0.509 nan 8.290 nan 0.000 0.515 686 A N -0.297 122.595 122.820 0.120 0.000 2.337 686 A HA 0.894 5.204 4.320 -0.017 0.000 0.331 686 A C 0.257 177.834 177.584 -0.011 0.000 1.137 686 A CA -0.655 51.467 52.037 0.142 0.000 0.807 686 A CB 1.156 20.305 19.000 0.249 0.000 1.250 686 A HN 0.687 nan 8.150 nan 0.000 0.468 687 L N 0.883 122.058 121.223 -0.081 0.000 2.379 687 L HA 0.460 4.790 4.340 -0.017 0.000 0.269 687 L C 0.084 176.805 176.870 -0.248 0.000 1.084 687 L CA -0.366 54.324 54.840 -0.250 0.000 0.802 687 L CB 1.722 43.516 42.059 -0.443 0.000 1.175 687 L HN 0.721 nan 8.230 nan 0.000 0.448 688 T N 3.078 117.358 114.554 -0.456 0.000 2.797 688 T HA 0.479 4.819 4.350 -0.017 0.000 0.279 688 T C -0.426 174.109 174.700 -0.276 0.000 0.991 688 T CA -0.265 61.530 62.100 -0.508 0.000 0.979 688 T CB 1.652 69.985 68.868 -0.891 0.000 0.943 688 T HN 0.367 nan 8.240 nan 0.000 0.444 689 I N 2.708 123.219 120.570 -0.099 0.000 2.362 689 I HA 0.736 4.896 4.170 -0.017 0.000 0.289 689 I C 0.029 176.277 176.117 0.218 0.000 0.994 689 I CA 0.045 61.416 61.300 0.118 0.000 1.158 689 I CB 0.470 38.480 38.000 0.017 0.000 1.315 689 I HN 0.803 nan 8.210 nan 0.000 0.451 690 G N 3.974 113.000 108.800 0.377 0.000 2.550 690 G HA2 0.449 4.399 3.960 -0.017 0.000 0.293 690 G HA3 0.449 4.399 3.960 -0.017 0.000 0.293 690 G C -0.952 173.896 174.900 -0.088 0.000 1.402 690 G CA -0.298 44.940 45.100 0.230 0.000 0.784 690 G HN 0.583 nan 8.290 nan 0.000 0.482 691 T N -1.596 112.785 114.554 -0.287 0.000 2.862 691 T HA 0.548 4.888 4.350 -0.017 0.000 0.276 691 T C 0.654 175.247 174.700 -0.178 0.000 0.974 691 T CA -0.688 61.160 62.100 -0.420 0.000 0.966 691 T CB 1.189 69.827 68.868 -0.383 0.000 1.072 691 T HN 0.259 nan 8.240 nan 0.000 0.538 692 M N 2.662 122.163 119.600 -0.166 0.000 3.422 692 M HA 0.337 4.807 4.480 -0.017 0.000 0.248 692 M C -0.582 175.668 176.300 -0.083 0.000 1.433 692 M CA -0.123 55.116 55.300 -0.102 0.000 1.592 692 M CB -1.598 30.947 32.600 -0.092 0.000 1.078 692 M HN 0.722 nan 8.290 nan 0.000 0.578 693 D N -0.161 120.197 120.400 -0.069 0.000 2.671 693 D HA 0.676 5.306 4.640 -0.017 0.000 0.232 693 D C 0.755 177.037 176.300 -0.030 0.000 1.114 693 D CA 0.716 54.689 54.000 -0.045 0.000 0.858 693 D CB 1.743 42.517 40.800 -0.043 0.000 1.544 693 D HN 0.590 nan 8.370 nan 0.000 0.471 694 G N 1.775 110.565 108.800 -0.016 0.000 2.652 694 G HA2 -0.276 3.674 3.960 -0.017 0.000 0.318 694 G HA3 -0.276 3.674 3.960 -0.017 0.000 0.318 694 G C 1.040 175.937 174.900 -0.006 0.000 1.295 694 G CA 1.217 46.312 45.100 -0.009 0.000 0.999 694 G HN 1.055 nan 8.290 nan 0.000 0.548 695 A N -0.274 122.538 122.820 -0.014 0.000 2.167 695 A HA 0.124 4.434 4.320 -0.017 0.000 0.214 695 A C 2.103 179.633 177.584 -0.090 0.000 1.151 695 A CA 1.763 53.787 52.037 -0.022 0.000 0.735 695 A CB -0.410 18.567 19.000 -0.038 0.000 0.802 695 A HN 0.605 nan 8.150 nan 0.000 0.467 696 N N 0.644 119.304 118.700 -0.066 0.000 2.137 696 N HA -0.155 4.575 4.740 -0.017 0.000 0.190 696 N C 1.634 177.053 175.510 -0.151 0.000 1.017 696 N CA 1.626 54.649 53.050 -0.046 0.000 0.859 696 N CB -0.663 37.841 38.487 0.029 0.000 1.002 696 N HN 0.288 nan 8.380 nan 0.000 0.428 697 V N 1.370 121.220 119.914 -0.106 0.000 2.287 697 V HA -0.233 3.877 4.120 -0.017 0.000 0.248 697 V C 2.027 178.047 176.094 -0.123 0.000 1.053 697 V CA 1.757 63.985 62.300 -0.120 0.000 1.027 697 V CB -0.545 31.239 31.823 -0.064 0.000 0.646 697 V HN 0.350 nan 8.190 nan 0.000 0.447 698 E N -0.584 119.598 120.200 -0.030 0.000 2.152 698 E HA -0.146 4.194 4.350 -0.017 0.000 0.192 698 E C 2.219 178.916 176.600 0.161 0.000 0.983 698 E CA 1.137 57.593 56.400 0.094 0.000 0.818 698 E CB -0.195 29.653 29.700 0.246 0.000 0.758 698 E HN 0.555 nan 8.360 nan 0.000 0.467 699 M N 0.366 119.940 119.600 -0.043 0.000 2.132 699 M HA -0.124 4.346 4.480 -0.017 0.000 0.263 699 M C 2.486 178.545 176.300 -0.401 0.000 1.065 699 M CA 1.436 56.649 55.300 -0.144 0.000 1.122 699 M CB -0.170 32.273 32.600 -0.261 0.000 1.365 699 M HN 0.130 nan 8.290 nan 0.000 0.411 700 A N -0.106 122.189 122.820 -0.875 0.000 1.933 700 A HA -0.204 4.106 4.320 -0.017 0.000 0.218 700 A C 2.024 179.367 177.584 -0.402 0.000 1.175 700 A CA 1.849 53.249 52.037 -1.063 0.000 0.628 700 A CB -0.751 17.702 19.000 -0.912 0.000 0.814 700 A HN 0.563 nan 8.150 nan 0.000 0.444 701 E N -0.458 119.605 120.200 -0.230 0.000 2.106 701 E HA -0.199 4.141 4.350 -0.017 0.000 0.192 701 E C 1.788 178.355 176.600 -0.055 0.000 0.984 701 E CA 1.146 57.481 56.400 -0.109 0.000 0.806 701 E CB -0.035 29.628 29.700 -0.061 0.000 0.750 701 E HN 0.556 nan 8.360 nan 0.000 0.458 702 E N 0.163 120.364 120.200 0.000 0.000 2.047 702 E HA -0.138 4.202 4.350 -0.017 0.000 0.191 702 E C 1.884 178.506 176.600 0.036 0.000 0.987 702 E CA 1.130 57.557 56.400 0.044 0.000 0.799 702 E CB -0.250 29.541 29.700 0.152 0.000 0.752 702 E HN 0.323 nan 8.360 nan 0.000 0.449 703 A N 0.441 123.285 122.820 0.039 0.000 2.067 703 A HA 0.289 4.599 4.320 -0.017 0.000 0.217 703 A C 1.089 178.682 177.584 0.015 0.000 1.156 703 A CA 1.183 53.258 52.037 0.063 0.000 0.683 703 A CB -0.137 18.965 19.000 0.170 0.000 0.808 703 A HN 0.275 nan 8.150 nan 0.000 0.455 704 G N -0.752 108.024 108.800 -0.041 0.000 3.209 704 G HA2 -0.097 3.853 3.960 -0.017 0.000 0.686 704 G HA3 -0.097 3.853 3.960 -0.017 0.000 0.686 704 G C -0.036 174.826 174.900 -0.064 0.000 1.065 704 G CA 0.038 45.107 45.100 -0.051 0.000 0.812 704 G HN 0.251 nan 8.290 nan 0.000 0.573 705 E N 0.420 120.568 120.200 -0.088 0.000 2.267 705 E HA -0.187 4.153 4.350 -0.017 0.000 0.197 705 E C 2.343 178.911 176.600 -0.054 0.000 0.998 705 E CA 1.297 57.651 56.400 -0.075 0.000 0.830 705 E CB 0.118 29.774 29.700 -0.073 0.000 0.751 705 E HN 0.763 nan 8.360 nan 0.000 0.491 706 E N 0.546 120.708 120.200 -0.064 0.000 2.409 706 E HA -0.154 4.186 4.350 -0.017 0.000 0.198 706 E C 0.709 177.224 176.600 -0.141 0.000 1.024 706 E CA 0.735 57.078 56.400 -0.094 0.000 0.861 706 E CB -0.001 29.660 29.700 -0.065 0.000 0.788 706 E HN 0.181 nan 8.360 nan 0.000 0.521 707 N N -0.383 118.265 118.700 -0.086 0.000 2.234 707 N HA 0.184 4.914 4.740 -0.017 0.000 0.227 707 N C -1.088 174.384 175.510 -0.063 0.000 1.151 707 N CA -0.023 52.967 53.050 -0.100 0.000 0.865 707 N CB 0.339 38.815 38.487 -0.017 0.000 1.066 707 N HN 0.033 nan 8.380 nan 0.000 0.515 708 F N -0.677 119.066 119.950 -0.345 0.000 2.640 708 F HA 0.464 4.981 4.527 -0.018 0.000 0.324 708 F C -0.774 174.755 175.800 -0.453 0.000 1.077 708 F CA -1.101 56.739 58.000 -0.268 0.000 0.965 708 F CB 1.369 40.296 39.000 -0.122 0.000 1.351 708 F HN -0.245 nan 8.300 nan 0.000 0.487 709 F N 3.867 123.868 119.950 0.084 0.000 2.471 709 F HA 0.375 4.892 4.527 -0.017 0.000 0.318 709 F C -0.448 175.500 175.800 0.248 0.000 1.308 709 F CA -0.557 57.508 58.000 0.107 0.000 1.162 709 F CB 0.102 39.102 39.000 0.001 0.000 1.383 709 F HN -0.038 nan 8.300 nan 0.000 0.552 710 I N 2.700 123.491 120.570 0.368 0.000 2.575 710 I HA 0.255 4.415 4.170 -0.017 0.000 0.285 710 I C 0.016 176.322 176.117 0.315 0.000 1.085 710 I CA -0.213 61.260 61.300 0.288 0.000 1.403 710 I CB 0.368 38.451 38.000 0.139 0.000 1.409 710 I HN 0.322 nan 8.210 nan 0.000 0.557 711 F N 2.467 122.483 119.950 0.110 0.000 2.779 711 F HA 0.803 5.320 4.527 -0.017 0.000 0.316 711 F C 0.001 175.839 175.800 0.064 0.000 1.164 711 F CA -0.328 57.727 58.000 0.091 0.000 0.924 711 F CB 0.933 40.002 39.000 0.115 0.000 1.348 711 F HN 0.807 nan 8.300 nan 0.000 0.467 712 G N 0.975 109.818 108.800 0.071 0.000 2.782 712 G HA2 -0.123 3.827 3.960 -0.017 0.000 0.228 712 G HA3 -0.123 3.827 3.960 -0.017 0.000 0.228 712 G C -0.753 174.101 174.900 -0.076 0.000 1.372 712 G CA -0.498 44.576 45.100 -0.043 0.000 0.862 712 G HN 0.972 nan 8.290 nan 0.000 0.547 713 M N 0.097 119.663 119.600 -0.057 0.000 2.249 713 M HA 0.326 4.796 4.480 -0.017 0.000 0.340 713 M C 1.035 177.289 176.300 -0.077 0.000 1.166 713 M CA 0.269 55.545 55.300 -0.041 0.000 1.115 713 M CB 0.496 33.079 32.600 -0.029 0.000 1.606 713 M HN 0.562 nan 8.290 nan 0.000 0.448 714 R N 0.992 121.463 120.500 -0.049 0.000 2.608 714 R HA 0.324 4.654 4.340 -0.017 0.000 0.255 714 R C 0.954 177.229 176.300 -0.042 0.000 1.086 714 R CA -0.489 55.579 56.100 -0.053 0.000 1.125 714 R CB 0.543 30.821 30.300 -0.037 0.000 1.193 714 R HN 0.568 nan 8.270 nan 0.000 0.553 715 V N 1.401 121.290 119.914 -0.041 0.000 2.324 715 V HA -0.279 3.831 4.120 -0.017 0.000 0.250 715 V C 1.457 177.535 176.094 -0.026 0.000 1.060 715 V CA 2.188 64.468 62.300 -0.034 0.000 1.042 715 V CB -0.509 31.294 31.823 -0.034 0.000 0.650 715 V HN 0.685 nan 8.190 nan 0.000 0.450 716 E N 0.227 120.414 120.200 -0.021 0.000 2.118 716 E HA -0.203 4.137 4.350 -0.017 0.000 0.195 716 E C 1.886 178.484 176.600 -0.003 0.000 0.992 716 E CA 1.496 57.888 56.400 -0.012 0.000 0.804 716 E CB -0.378 29.316 29.700 -0.009 0.000 0.741 716 E HN 0.635 nan 8.360 nan 0.000 0.458 717 D N 0.138 120.537 120.400 -0.002 0.000 2.144 717 D HA -0.088 4.542 4.640 -0.017 0.000 0.200 717 D C 2.024 178.330 176.300 0.010 0.000 0.978 717 D CA 0.790 54.797 54.000 0.013 0.000 0.833 717 D CB -0.150 40.660 40.800 0.017 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 1.878 121.784 119.914 -0.014 0.000 2.295 718 V HA -0.207 3.903 4.120 -0.017 0.000 0.246 718 V C 1.951 178.033 176.094 -0.019 0.000 1.049 718 V CA 1.710 63.991 62.300 -0.032 0.000 1.024 718 V CB -0.392 31.404 31.823 -0.045 0.000 0.648 718 V HN 0.025 nan 8.190 nan 0.000 0.447 719 D N -0.132 120.260 120.400 -0.013 0.000 2.117 719 D HA -0.147 4.483 4.640 -0.017 0.000 0.197 719 D C 2.413 178.719 176.300 0.009 0.000 0.987 719 D CA 1.199 55.194 54.000 -0.007 0.000 0.829 719 D CB -0.259 40.535 40.800 -0.010 0.000 0.961 719 D HN 0.343 nan 8.370 nan 0.000 0.460 720 R N -0.004 120.507 120.500 0.017 0.000 2.096 720 R HA 0.018 4.348 4.340 -0.017 0.000 0.235 720 R C 2.454 178.784 176.300 0.049 0.000 1.127 720 R CA 0.401 56.519 56.100 0.031 0.000 0.968 720 R CB -0.237 30.084 30.300 0.034 0.000 0.861 720 R HN 0.198 nan 8.270 nan 0.000 0.440 721 L N 0.499 121.757 121.223 0.059 0.000 2.093 721 L HA -0.185 4.145 4.340 -0.017 0.000 0.208 721 L C 1.389 178.313 176.870 0.091 0.000 1.085 721 L CA 1.211 56.111 54.840 0.101 0.000 0.755 721 L CB -0.202 41.924 42.059 0.112 0.000 0.904 721 L HN 0.205 nan 8.230 nan 0.000 0.435 722 D N -0.537 119.890 120.400 0.045 0.000 2.144 722 D HA -0.185 4.445 4.640 -0.017 0.000 0.200 722 D C 2.205 178.529 176.300 0.040 0.000 0.978 722 D CA 0.976 54.998 54.000 0.036 0.000 0.833 722 D CB 0.002 40.803 40.800 0.002 0.000 0.961 722 D HN 0.378 nan 8.370 nan 0.000 0.470 723 Q N 0.051 119.871 119.800 0.034 0.000 2.061 723 Q HA -0.181 4.149 4.340 -0.017 0.000 0.204 723 Q C 2.134 178.157 176.000 0.038 0.000 0.984 723 Q CA 1.645 57.466 55.803 0.030 0.000 0.846 723 Q CB -0.048 28.705 28.738 0.025 0.000 0.902 723 Q HN 0.299 nan 8.270 nan 0.000 0.421 724 R N -0.701 119.829 120.500 0.051 0.000 2.246 724 R HA 0.228 4.558 4.340 -0.017 0.000 0.199 724 R C 0.162 176.500 176.300 0.062 0.000 0.984 724 R CA 0.747 56.879 56.100 0.053 0.000 1.015 724 R CB 0.358 30.692 30.300 0.056 0.000 0.930 724 R HN 0.079 nan 8.270 nan 0.000 0.475 725 G N 0.432 109.283 108.800 0.084 0.000 3.367 725 G HA2 -0.207 3.742 3.960 -0.017 0.000 0.686 725 G HA3 -0.207 3.742 3.960 -0.017 0.000 0.686 725 G C -1.593 173.401 174.900 0.157 0.000 1.146 725 G CA -0.435 44.723 45.100 0.097 0.000 0.913 725 G HN 0.276 nan 8.290 nan 0.000 0.554 726 Y N 3.371 123.694 120.300 0.039 0.000 2.365 726 Y HA 0.638 5.178 4.550 -0.017 0.000 0.340 726 Y C 0.109 176.047 175.900 0.064 0.000 1.016 726 Y CA -1.473 56.667 58.100 0.067 0.000 1.196 726 Y CB 1.304 39.783 38.460 0.031 0.000 1.167 726 Y HN 0.598 nan 8.280 nan 0.000 0.509 727 N N 4.871 123.359 118.700 -0.354 0.000 2.626 727 N HA 0.314 5.044 4.740 -0.017 0.000 0.249 727 N C 0.164 175.405 175.510 -0.448 0.000 1.021 727 N CA 0.252 53.087 53.050 -0.359 0.000 0.886 727 N CB 1.274 39.680 38.487 -0.134 0.000 1.149 727 N HN 0.803 nan 8.380 nan 0.000 0.517 728 A N 2.861 125.279 122.820 -0.670 0.000 2.019 728 A HA -0.173 4.137 4.320 -0.017 0.000 0.219 728 A C 1.822 179.515 177.584 0.182 0.000 1.164 728 A CA 1.374 53.269 52.037 -0.237 0.000 0.644 728 A CB -0.305 18.469 19.000 -0.377 0.000 0.805 728 A HN 0.719 nan 8.150 nan 0.000 0.449 729 Q N 0.228 120.009 119.800 -0.032 0.000 2.226 729 Q HA -0.198 4.132 4.340 -0.017 0.000 0.204 729 Q C 1.853 177.912 176.000 0.097 0.000 0.975 729 Q CA 1.988 57.801 55.803 0.017 0.000 0.866 729 Q CB -0.277 28.407 28.738 -0.091 0.000 0.915 729 Q HN 0.778 nan 8.270 nan 0.000 0.440 730 E N -1.199 119.012 120.200 0.017 0.000 2.051 730 E HA -0.231 4.109 4.350 -0.017 0.000 0.192 730 E C 1.423 177.960 176.600 -0.106 0.000 0.991 730 E CA 1.400 57.742 56.400 -0.095 0.000 0.799 730 E CB -0.197 29.351 29.700 -0.252 0.000 0.748 730 E HN 0.579 nan 8.360 nan 0.000 0.449 731 Y N -0.978 119.392 120.300 0.117 0.000 2.200 731 Y HA -0.217 4.323 4.550 -0.017 0.000 0.290 731 Y C 2.242 178.156 175.900 0.023 0.000 1.137 731 Y CA 1.574 59.739 58.100 0.109 0.000 1.163 731 Y CB -0.715 37.870 38.460 0.208 0.000 0.988 731 Y HN 0.247 nan 8.280 nan 0.000 0.518 732 Y N 1.343 121.676 120.300 0.055 0.000 2.181 732 Y HA -0.258 4.282 4.550 -0.017 0.000 0.288 732 Y C 1.826 177.691 175.900 -0.058 0.000 1.146 732 Y CA 1.867 59.912 58.100 -0.093 0.000 1.164 732 Y CB -0.431 38.023 38.460 -0.010 0.000 0.982 732 Y HN 0.072 nan 8.280 nan 0.000 0.515 733 D N -0.252 120.272 120.400 0.207 0.000 2.264 733 D HA -0.087 4.543 4.640 -0.017 0.000 0.208 733 D C 1.821 178.109 176.300 -0.018 0.000 0.966 733 D CA 1.151 55.207 54.000 0.094 0.000 0.864 733 D CB -0.137 40.722 40.800 0.097 0.000 0.933 733 D HN 0.456 nan 8.370 nan 0.000 0.499 734 R N -0.408 120.075 120.500 -0.028 0.000 2.334 734 R HA 0.306 4.636 4.340 -0.017 0.000 0.212 734 R C 0.246 176.529 176.300 -0.029 0.000 0.897 734 R CA 0.094 56.174 56.100 -0.034 0.000 1.056 734 R CB 1.021 31.296 30.300 -0.041 0.000 1.046 734 R HN 0.097 nan 8.270 nan 0.000 0.513 735 I N 1.322 121.854 120.570 -0.063 0.000 2.495 735 I HA 0.232 4.392 4.170 -0.017 0.000 0.277 735 I C -2.024 174.007 176.117 -0.144 0.000 1.045 735 I CA -2.353 58.917 61.300 -0.050 0.000 1.135 735 I CB 2.132 40.147 38.000 0.024 0.000 1.241 735 I HN -0.267 nan 8.210 nan 0.000 0.469 736 P HA -0.178 nan 4.420 nan 0.000 0.216 736 P C 1.192 178.405 177.300 -0.144 0.000 1.153 736 P CA 1.429 64.444 63.100 -0.141 0.000 0.858 736 P CB 0.319 31.967 31.700 -0.086 0.000 0.789 737 E N -1.147 119.010 120.200 -0.072 0.000 2.150 737 E HA -0.154 4.186 4.350 -0.017 0.000 0.193 737 E C 1.827 178.347 176.600 -0.133 0.000 0.985 737 E CA 0.572 56.948 56.400 -0.040 0.000 0.814 737 E CB -0.525 29.223 29.700 0.081 0.000 0.752 737 E HN 0.119 nan 8.360 nan 0.000 0.466 738 L N 1.045 122.106 121.223 -0.271 0.000 2.072 738 L HA -0.091 4.239 4.340 -0.017 0.000 0.205 738 L C 2.073 178.674 176.870 -0.448 0.000 1.079 738 L CA 1.540 56.046 54.840 -0.556 0.000 0.752 738 L CB -0.117 41.472 42.059 -0.782 0.000 0.906 738 L HN -0.102 nan 8.230 nan 0.000 0.436 739 R N -0.703 119.500 120.500 -0.496 0.000 2.081 739 R HA -0.215 4.114 4.340 -0.017 0.000 0.235 739 R C 2.269 178.410 176.300 -0.264 0.000 1.131 739 R CA 1.755 57.492 56.100 -0.605 0.000 0.960 739 R CB -0.445 29.422 30.300 -0.721 0.000 0.856 739 R HN 0.589 nan 8.270 nan 0.000 0.436 740 Q N 0.908 120.587 119.800 -0.202 0.000 2.061 740 Q HA -0.181 4.149 4.340 -0.017 0.000 0.204 740 Q C 2.059 178.015 176.000 -0.073 0.000 0.984 740 Q CA 1.537 57.267 55.803 -0.122 0.000 0.846 740 Q CB -0.062 28.610 28.738 -0.111 0.000 0.902 740 Q HN 0.348 nan 8.270 nan 0.000 0.421 741 I N 0.543 121.071 120.570 -0.069 0.000 2.179 741 I HA -0.278 3.882 4.170 -0.017 0.000 0.242 741 I C 2.076 178.234 176.117 0.069 0.000 1.088 741 I CA 0.612 61.919 61.300 0.012 0.000 1.357 741 I CB -0.235 37.745 38.000 -0.034 0.000 1.051 741 I HN 0.300 nan 8.210 nan 0.000 0.409 742 I N 0.754 121.354 120.570 0.050 0.000 2.361 742 I HA -0.236 3.924 4.170 -0.017 0.000 0.251 742 I C 2.395 178.621 176.117 0.182 0.000 1.133 742 I CA 1.607 63.008 61.300 0.169 0.000 1.413 742 I CB -1.269 36.916 38.000 0.307 0.000 1.073 742 I HN 0.357 nan 8.210 nan 0.000 0.424 743 E N 0.285 120.562 120.200 0.128 0.000 2.106 743 E HA -0.213 4.127 4.350 -0.017 0.000 0.192 743 E C 2.161 178.825 176.600 0.107 0.000 0.984 743 E CA 0.810 57.277 56.400 0.111 0.000 0.806 743 E CB -0.086 29.644 29.700 0.051 0.000 0.750 743 E HN 0.567 nan 8.360 nan 0.000 0.458 744 Q N 0.488 120.341 119.800 0.089 0.000 2.084 744 Q HA -0.144 4.186 4.340 -0.017 0.000 0.202 744 Q C 2.338 178.529 176.000 0.319 0.000 0.978 744 Q CA 1.026 56.899 55.803 0.117 0.000 0.844 744 Q CB -0.054 28.712 28.738 0.048 0.000 0.898 744 Q HN 0.285 nan 8.270 nan 0.000 0.426 745 L N -0.208 121.224 121.223 0.349 0.000 1.994 745 L HA -0.214 4.116 4.340 -0.017 0.000 0.208 745 L C 2.530 179.601 176.870 0.335 0.000 1.071 745 L CA 1.064 56.133 54.840 0.381 0.000 0.745 745 L CB -0.461 41.741 42.059 0.238 0.000 0.892 745 L HN 0.126 nan 8.230 nan 0.000 0.431 746 S N -0.913 114.936 115.700 0.248 0.000 2.383 746 S HA -0.195 4.265 4.470 -0.017 0.000 0.229 746 S C 2.242 176.949 174.600 0.178 0.000 1.030 746 S CA 1.500 59.822 58.200 0.203 0.000 1.002 746 S CB -0.142 63.159 63.200 0.169 0.000 0.829 746 S HN 0.308 nan 8.310 nan 0.000 0.467 747 S N -0.438 115.368 115.700 0.177 0.000 2.382 747 S HA 0.053 4.513 4.470 -0.017 0.000 0.228 747 S C 1.539 176.232 174.600 0.154 0.000 1.027 747 S CA 1.232 59.521 58.200 0.149 0.000 0.991 747 S CB -0.273 63.011 63.200 0.141 0.000 0.823 747 S HN 0.828 nan 8.310 nan 0.000 0.469 748 G N -0.337 108.586 108.800 0.206 0.000 2.138 748 G HA2 -0.237 3.713 3.960 -0.017 0.000 0.193 748 G HA3 -0.237 3.713 3.960 -0.017 0.000 0.193 748 G C 0.483 175.474 174.900 0.152 0.000 0.998 748 G CA 0.221 45.424 45.100 0.172 0.000 0.668 748 G HN 0.488 nan 8.290 nan 0.000 0.516 749 F N 0.470 120.418 119.950 -0.003 0.000 2.269 749 F HA 0.273 4.790 4.527 -0.017 0.000 0.301 749 F C 1.639 177.232 175.800 -0.345 0.000 1.082 749 F CA 1.449 59.326 58.000 -0.205 0.000 1.360 749 F CB -0.022 38.780 39.000 -0.330 0.000 1.041 749 F HN 0.144 nan 8.300 nan 0.000 0.512 750 F N -0.154 119.871 119.950 0.125 0.000 2.641 750 F HA 0.230 4.747 4.527 -0.017 0.000 0.302 750 F C 0.586 176.468 175.800 0.136 0.000 1.098 750 F CA 0.225 58.254 58.000 0.049 0.000 1.318 750 F CB -0.117 38.952 39.000 0.115 0.000 1.035 750 F HN 0.019 nan 8.300 nan 0.000 0.551 751 S N -1.623 114.187 115.700 0.183 0.000 2.730 751 S HA 0.201 4.661 4.470 -0.017 0.000 0.150 751 S C -2.251 172.359 174.600 0.017 0.000 1.139 751 S CA -0.818 57.429 58.200 0.077 0.000 1.155 751 S CB 0.409 63.607 63.200 -0.005 0.000 1.682 751 S HN -0.134 nan 8.310 nan 0.000 0.452 752 P HA -0.161 nan 4.420 nan 0.000 0.216 752 P C 0.833 178.125 177.300 -0.013 0.000 1.150 752 P CA 1.505 64.589 63.100 -0.027 0.000 0.843 752 P CB 0.015 31.676 31.700 -0.065 0.000 0.787 753 K N -0.981 119.408 120.400 -0.017 0.000 2.366 753 K HA 0.002 4.312 4.320 -0.017 0.000 0.198 753 K C 1.455 178.051 176.600 -0.007 0.000 1.044 753 K CA 0.579 56.860 56.287 -0.011 0.000 0.973 753 K CB 0.036 32.530 32.500 -0.011 0.000 0.767 753 K HN 0.221 nan 8.250 nan 0.000 0.475 754 Q N -0.311 119.481 119.800 -0.013 0.000 3.605 754 Q HA 0.161 4.491 4.340 -0.017 0.000 0.222 754 Q C -2.354 173.633 176.000 -0.021 0.000 0.915 754 Q CA -1.717 54.075 55.803 -0.019 0.000 0.731 754 Q CB 0.978 29.698 28.738 -0.029 0.000 1.423 754 Q HN -0.111 nan 8.270 nan 0.000 0.446 755 P HA -0.209 nan 4.420 nan 0.000 0.218 755 P C 0.439 177.770 177.300 0.052 0.000 1.152 755 P CA 1.626 64.751 63.100 0.041 0.000 0.857 755 P CB 0.194 31.921 31.700 0.045 0.000 0.787 756 D N -1.571 118.846 120.400 0.027 0.000 2.358 756 D HA -0.012 4.618 4.640 -0.017 0.000 0.224 756 D C 1.524 177.822 176.300 -0.002 0.000 1.123 756 D CA -0.264 53.760 54.000 0.041 0.000 0.833 756 D CB -0.944 39.882 40.800 0.043 0.000 0.946 756 D HN 0.021 nan 8.370 nan 0.000 0.505 757 L N -0.273 120.882 121.223 -0.113 0.000 2.081 757 L HA -0.067 4.263 4.340 -0.017 0.000 0.212 757 L C 0.944 177.609 176.870 -0.342 0.000 1.080 757 L CA 1.623 56.286 54.840 -0.296 0.000 0.754 757 L CB -0.534 41.171 42.059 -0.590 0.000 0.893 757 L HN -0.038 nan 8.230 nan 0.000 0.433 758 F N -0.132 119.875 119.950 0.095 0.000 2.668 758 F HA 0.175 4.692 4.527 -0.016 0.000 0.297 758 F C 1.879 177.736 175.800 0.096 0.000 1.124 758 F CA -0.034 58.014 58.000 0.079 0.000 1.353 758 F CB -0.824 38.213 39.000 0.063 0.000 0.992 758 F HN 0.172 nan 8.300 nan 0.000 0.524 759 K N -0.413 120.111 120.400 0.207 0.000 2.152 759 K HA -0.191 4.119 4.320 -0.017 0.000 0.206 759 K C 0.855 177.564 176.600 0.182 0.000 1.048 759 K CA 2.051 58.443 56.287 0.176 0.000 0.933 759 K CB -0.242 32.333 32.500 0.125 0.000 0.721 759 K HN 0.060 nan 8.250 nan 0.000 0.447 760 D N 1.139 121.657 120.400 0.196 0.000 2.178 760 D HA -0.033 4.597 4.640 -0.017 0.000 0.202 760 D C 1.990 178.400 176.300 0.184 0.000 0.974 760 D CA 0.897 55.018 54.000 0.202 0.000 0.841 760 D CB -0.047 40.916 40.800 0.271 0.000 0.953 760 D HN 0.312 nan 8.370 nan 0.000 0.478 761 I N 0.102 120.783 120.570 0.186 0.000 2.233 761 I HA -0.188 3.972 4.170 -0.017 0.000 0.243 761 I C 2.306 178.503 176.117 0.133 0.000 1.093 761 I CA 0.474 61.856 61.300 0.137 0.000 1.380 761 I CB -0.049 38.016 38.000 0.109 0.000 1.067 761 I HN -0.119 nan 8.210 nan 0.000 0.413 762 V N 1.105 121.119 119.914 0.167 0.000 2.295 762 V HA -0.316 3.794 4.120 -0.017 0.000 0.246 762 V C 2.185 178.371 176.094 0.155 0.000 1.049 762 V CA 2.452 64.852 62.300 0.167 0.000 1.024 762 V CB -0.907 31.029 31.823 0.188 0.000 0.648 762 V HN 0.465 nan 8.190 nan 0.000 0.447 763 N N -0.424 118.385 118.700 0.182 0.000 2.166 763 N HA -0.201 4.529 4.740 -0.017 0.000 0.186 763 N C 1.822 177.482 175.510 0.249 0.000 1.019 763 N CA 1.519 54.712 53.050 0.238 0.000 0.856 763 N CB -0.213 38.406 38.487 0.220 0.000 0.993 763 N HN 0.341 nan 8.380 nan 0.000 0.426 764 M N 0.135 119.854 119.600 0.199 0.000 2.132 764 M HA -0.088 4.382 4.480 -0.017 0.000 0.263 764 M C 1.631 177.974 176.300 0.070 0.000 1.065 764 M CA 1.331 56.748 55.300 0.195 0.000 1.122 764 M CB -0.593 32.106 32.600 0.166 0.000 1.365 764 M HN 0.256 nan 8.290 nan 0.000 0.411 765 L N -0.087 121.121 121.223 -0.025 0.000 2.046 765 L HA -0.254 4.076 4.340 -0.017 0.000 0.208 765 L C 2.609 179.187 176.870 -0.487 0.000 1.077 765 L CA 1.055 55.727 54.840 -0.280 0.000 0.747 765 L CB -0.624 41.287 42.059 -0.248 0.000 0.896 765 L HN 0.305 nan 8.230 nan 0.000 0.432 766 M N -1.389 118.045 119.600 -0.276 0.000 2.254 766 M HA -0.130 4.340 4.480 -0.017 0.000 0.265 766 M C 1.607 177.488 176.300 -0.698 0.000 1.066 766 M CA 1.880 56.929 55.300 -0.418 0.000 1.123 766 M CB -0.854 31.524 32.600 -0.369 0.000 1.388 766 M HN 0.336 nan 8.290 nan 0.000 0.425 767 H N -2.934 116.021 119.070 -0.192 0.000 3.400 767 H HA 0.218 4.764 4.556 -0.017 0.000 0.251 767 H C 0.267 175.269 175.328 -0.543 0.000 1.040 767 H CA 0.174 55.994 56.048 -0.379 0.000 1.175 767 H CB 0.673 30.146 29.762 -0.482 0.000 1.487 767 H HN 0.298 nan 8.280 nan 0.000 0.505 768 H N 0.005 119.130 119.070 0.092 0.000 2.790 768 H HA 0.132 4.677 4.556 -0.017 0.000 0.232 768 H C -0.652 174.710 175.328 0.056 0.000 1.313 768 H CA -0.198 55.897 56.048 0.078 0.000 1.011 768 H CB 0.686 30.499 29.762 0.085 0.000 2.105 768 H HN 0.196 nan 8.280 nan 0.000 0.580 769 D N 1.262 121.738 120.400 0.128 0.000 2.422 769 D HA 0.096 4.726 4.640 -0.017 0.000 0.227 769 D C 1.220 177.511 176.300 -0.014 0.000 1.190 769 D CA -0.273 53.779 54.000 0.087 0.000 0.905 769 D CB 0.500 41.333 40.800 0.054 0.000 1.034 769 D HN 0.199 nan 8.370 nan 0.000 0.507 770 R N 2.205 122.597 120.500 -0.179 0.000 2.237 770 R HA -0.050 4.280 4.340 -0.017 0.000 0.219 770 R C 0.627 176.439 176.300 -0.813 0.000 1.080 770 R CA 0.852 56.632 56.100 -0.533 0.000 0.995 770 R CB 0.116 29.914 30.300 -0.836 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.466 120.388 119.950 -0.046 0.000 2.639 771 F HA 0.240 4.757 4.527 -0.017 0.000 0.302 771 F C 0.080 175.768 175.800 -0.187 0.000 1.097 771 F CA -0.601 57.351 58.000 -0.080 0.000 1.294 771 F CB 0.141 39.146 39.000 0.009 0.000 1.027 771 F HN -0.256 nan 8.300 nan 0.000 0.550 772 K N -0.293 119.932 120.400 -0.292 0.000 3.490 772 K HA -0.187 4.123 4.320 -0.017 0.000 0.273 772 K C 0.988 177.485 176.600 -0.171 0.000 0.916 772 K CA 0.172 56.126 56.287 -0.555 0.000 0.718 772 K CB -1.770 30.230 32.500 -0.833 0.000 1.477 772 K HN 0.216 nan 8.250 nan 0.000 0.452 773 V N -0.008 119.892 119.914 -0.023 0.000 2.287 773 V HA -0.280 3.830 4.120 -0.017 0.000 0.248 773 V C 2.020 178.268 176.094 0.257 0.000 1.053 773 V CA 2.057 64.416 62.300 0.099 0.000 1.027 773 V CB -0.481 31.408 31.823 0.111 0.000 0.646 773 V HN 0.430 nan 8.190 nan 0.000 0.447 774 F N 0.894 120.872 119.950 0.047 0.000 2.161 774 F HA -0.118 4.399 4.527 -0.017 0.000 0.300 774 F C 2.475 178.115 175.800 -0.267 0.000 1.089 774 F CA 0.903 58.893 58.000 -0.015 0.000 1.282 774 F CB -1.527 37.492 39.000 0.031 0.000 1.010 774 F HN 0.167 nan 8.300 nan 0.000 0.485 775 A N -0.736 121.919 122.820 -0.275 0.000 2.070 775 A HA -0.153 4.157 4.320 -0.017 0.000 0.220 775 A C 1.657 179.215 177.584 -0.044 0.000 1.159 775 A CA 1.876 53.618 52.037 -0.491 0.000 0.656 775 A CB -0.490 18.313 19.000 -0.327 0.000 0.800 775 A HN 0.227 nan 8.150 nan 0.000 0.453 776 D N -2.965 117.484 120.400 0.081 0.000 2.398 776 D HA 0.092 4.722 4.640 -0.017 0.000 0.210 776 D C 1.150 177.626 176.300 0.293 0.000 1.094 776 D CA -0.070 54.054 54.000 0.206 0.000 0.839 776 D CB -0.096 40.825 40.800 0.201 0.000 0.963 776 D HN 0.510 nan 8.370 nan 0.000 0.506 777 Y N 2.270 122.670 120.300 0.167 0.000 2.053 777 Y HA -0.230 4.310 4.550 -0.016 0.000 0.277 777 Y C 1.999 177.996 175.900 0.162 0.000 1.159 777 Y CA 1.952 60.162 58.100 0.183 0.000 1.125 777 Y CB 0.063 38.600 38.460 0.129 0.000 0.969 777 Y HN -0.085 nan 8.280 nan 0.000 0.492 778 E N -0.390 119.839 120.200 0.048 0.000 2.051 778 E HA -0.216 4.124 4.350 -0.017 0.000 0.192 778 E C 2.093 178.648 176.600 -0.076 0.000 0.991 778 E CA 1.339 57.688 56.400 -0.084 0.000 0.799 778 E CB -0.103 29.661 29.700 0.107 0.000 0.748 778 E HN 0.519 nan 8.360 nan 0.000 0.449 779 E N 0.098 120.339 120.200 0.069 0.000 2.150 779 E HA -0.174 4.166 4.350 -0.017 0.000 0.193 779 E C 1.823 178.418 176.600 -0.008 0.000 0.985 779 E CA 0.683 57.150 56.400 0.111 0.000 0.814 779 E CB -0.276 29.586 29.700 0.269 0.000 0.752 779 E HN 0.338 nan 8.360 nan 0.000 0.466 780 Y N 1.507 121.640 120.300 -0.280 0.000 2.133 780 Y HA -0.192 4.348 4.550 -0.017 0.000 0.287 780 Y C 2.271 177.777 175.900 -0.657 0.000 1.134 780 Y CA 0.946 58.561 58.100 -0.809 0.000 1.133 780 Y CB -0.527 37.574 38.460 -0.598 0.000 0.987 780 Y HN -0.211 nan 8.280 nan 0.000 0.502 781 V N 0.727 120.283 119.914 -0.596 0.000 2.332 781 V HA -0.331 3.779 4.120 -0.017 0.000 0.248 781 V C 2.334 178.186 176.094 -0.403 0.000 1.055 781 V CA 2.377 64.336 62.300 -0.568 0.000 1.038 781 V CB -0.606 30.920 31.823 -0.495 0.000 0.651 781 V HN 0.319 nan 8.190 nan 0.000 0.450 782 K N -0.953 119.279 120.400 -0.281 0.000 2.057 782 K HA -0.209 4.101 4.320 -0.017 0.000 0.207 782 K C 2.301 178.804 176.600 -0.161 0.000 1.049 782 K CA 1.708 57.898 56.287 -0.161 0.000 0.931 782 K CB -0.589 31.867 32.500 -0.074 0.000 0.714 782 K HN 0.541 nan 8.250 nan 0.000 0.440 783 C N 1.476 120.651 119.300 -0.208 0.000 2.425 783 C HA -0.101 4.349 4.460 -0.017 0.000 0.277 783 C C 2.609 177.419 174.990 -0.300 0.000 1.280 783 C CA 0.853 59.782 59.018 -0.147 0.000 1.744 783 C CB -0.648 27.001 27.740 -0.151 0.000 1.989 783 C HN 0.431 nan 8.230 nan 0.000 0.491 784 Q N 0.376 119.854 119.800 -0.535 0.000 2.226 784 Q HA -0.162 4.168 4.340 -0.017 0.000 0.204 784 Q C 1.973 177.786 176.000 -0.313 0.000 0.975 784 Q CA 1.536 56.995 55.803 -0.573 0.000 0.866 784 Q CB -0.377 27.780 28.738 -0.969 0.000 0.915 784 Q HN 0.760 nan 8.270 nan 0.000 0.440 785 E N 0.238 120.308 120.200 -0.216 0.000 2.106 785 E HA -0.130 4.210 4.350 -0.017 0.000 0.192 785 E C 2.051 178.614 176.600 -0.062 0.000 0.984 785 E CA 0.567 56.902 56.400 -0.109 0.000 0.806 785 E CB 0.021 29.676 29.700 -0.076 0.000 0.750 785 E HN 0.204 nan 8.360 nan 0.000 0.458 786 R N 0.175 120.649 120.500 -0.043 0.000 2.148 786 R HA -0.067 4.263 4.340 -0.017 0.000 0.227 786 R C 2.277 178.597 176.300 0.033 0.000 1.103 786 R CA 0.567 56.715 56.100 0.081 0.000 0.983 786 R CB 0.002 30.442 30.300 0.234 0.000 0.874 786 R HN 0.051 nan 8.270 nan 0.000 0.451 787 V N -0.097 119.638 119.914 -0.300 0.000 2.307 787 V HA -0.222 3.888 4.120 -0.017 0.000 0.245 787 V C 2.075 178.155 176.094 -0.024 0.000 1.045 787 V CA 1.850 63.862 62.300 -0.479 0.000 1.024 787 V CB -0.225 31.225 31.823 -0.621 0.000 0.651 787 V HN 0.276 nan 8.190 nan 0.000 0.449 788 S N -0.012 115.646 115.700 -0.070 0.000 2.368 788 S HA -0.171 4.289 4.470 -0.017 0.000 0.225 788 S C 2.221 176.878 174.600 0.094 0.000 1.030 788 S CA 1.392 59.585 58.200 -0.012 0.000 0.999 788 S CB -0.474 62.691 63.200 -0.059 0.000 0.844 788 S HN 0.644 nan 8.310 nan 0.000 0.459 789 A N 1.223 124.100 122.820 0.096 0.000 1.883 789 A HA -0.109 4.201 4.320 -0.017 0.000 0.217 789 A C 2.128 179.823 177.584 0.186 0.000 1.186 789 A CA 1.602 53.716 52.037 0.129 0.000 0.624 789 A CB -0.762 18.307 19.000 0.116 0.000 0.822 789 A HN 0.441 nan 8.150 nan 0.000 0.444 790 L N -2.167 119.224 121.223 0.279 0.000 2.093 790 L HA -0.071 4.259 4.340 -0.017 0.000 0.208 790 L C 2.257 179.383 176.870 0.426 0.000 1.085 790 L CA 1.867 56.936 54.840 0.382 0.000 0.755 790 L CB -0.664 41.719 42.059 0.539 0.000 0.904 790 L HN 0.494 nan 8.230 nan 0.000 0.435 791 Y N 0.261 120.691 120.300 0.218 0.000 2.333 791 Y HA -0.237 4.304 4.550 -0.015 0.000 0.290 791 Y C 2.345 178.179 175.900 -0.111 0.000 1.144 791 Y CA 1.629 59.604 58.100 -0.209 0.000 1.228 791 Y CB -0.066 38.031 38.460 -0.605 0.000 0.985 791 Y HN 0.159 nan 8.280 nan 0.000 0.542 792 K N 0.150 120.601 120.400 0.086 0.000 2.360 792 K HA -0.187 4.123 4.320 -0.017 0.000 0.201 792 K C 0.261 176.852 176.600 -0.015 0.000 1.046 792 K CA 1.113 57.438 56.287 0.063 0.000 0.945 792 K CB -0.238 32.333 32.500 0.118 0.000 0.750 792 K HN 0.266 nan 8.250 nan 0.000 0.464 793 N N 0.332 119.030 118.700 -0.003 0.000 2.816 793 N HA 0.118 4.848 4.740 -0.017 0.000 0.236 793 N C -2.320 173.176 175.510 -0.023 0.000 1.076 793 N CA -1.914 51.135 53.050 -0.001 0.000 0.902 793 N CB 1.092 39.611 38.487 0.054 0.000 1.149 793 N HN -0.209 nan 8.380 nan 0.000 0.506 794 P HA -0.250 nan 4.420 nan 0.000 0.216 794 P C 1.197 178.492 177.300 -0.009 0.000 1.157 794 P CA 1.128 64.140 63.100 -0.147 0.000 0.880 794 P CB 0.208 31.800 31.700 -0.180 0.000 0.791 795 R N -0.121 120.378 120.500 -0.002 0.000 2.081 795 R HA -0.162 4.168 4.340 -0.017 0.000 0.235 795 R C 1.956 178.287 176.300 0.052 0.000 1.131 795 R CA 1.419 57.531 56.100 0.021 0.000 0.960 795 R CB -0.334 29.973 30.300 0.011 0.000 0.856 795 R HN 0.093 nan 8.270 nan 0.000 0.436 796 E N -0.203 120.039 120.200 0.071 0.000 2.158 796 E HA -0.200 4.140 4.350 -0.017 0.000 0.191 796 E C 1.538 178.207 176.600 0.115 0.000 0.982 796 E CA 0.563 57.011 56.400 0.080 0.000 0.823 796 E CB -0.383 29.365 29.700 0.080 0.000 0.766 796 E HN 0.512 nan 8.360 nan 0.000 0.468 797 W N 2.130 123.411 121.300 -0.031 0.000 2.354 797 W HA -0.180 4.470 4.660 -0.017 0.000 0.315 797 W C 1.571 178.079 176.519 -0.018 0.000 1.206 797 W CA 2.064 59.400 57.345 -0.015 0.000 1.290 797 W CB -0.438 28.959 29.460 -0.106 0.000 1.152 797 W HN 0.020 nan 8.180 nan 0.000 0.489 798 T N 1.282 115.958 114.554 0.204 0.000 2.788 798 T HA -0.186 4.154 4.350 -0.017 0.000 0.268 798 T C 1.870 176.561 174.700 -0.015 0.000 1.044 798 T CA 1.721 63.868 62.100 0.079 0.000 1.139 798 T CB -0.318 68.581 68.868 0.052 0.000 0.867 798 T HN 0.179 nan 8.240 nan 0.000 0.454 799 R N 0.330 120.832 120.500 0.003 0.000 2.092 799 R HA 0.101 4.431 4.340 -0.017 0.000 0.231 799 R C 2.511 178.794 176.300 -0.028 0.000 1.119 799 R CA 1.191 57.295 56.100 0.006 0.000 0.970 799 R CB -0.331 29.982 30.300 0.023 0.000 0.864 799 R HN 0.371 nan 8.270 nan 0.000 0.440 800 M N 0.480 120.030 119.600 -0.084 0.000 2.175 800 M HA -0.129 4.341 4.480 -0.017 0.000 0.264 800 M C 1.892 178.100 176.300 -0.153 0.000 1.063 800 M CA 1.311 56.532 55.300 -0.132 0.000 1.119 800 M CB 0.209 32.682 32.600 -0.210 0.000 1.377 800 M HN -0.030 nan 8.290 nan 0.000 0.415 801 V N 0.769 120.561 119.914 -0.204 0.000 2.343 801 V HA -0.298 3.812 4.120 -0.017 0.000 0.247 801 V C 2.203 178.267 176.094 -0.050 0.000 1.051 801 V CA 1.911 64.117 62.300 -0.157 0.000 1.036 801 V CB -0.572 31.170 31.823 -0.134 0.000 0.654 801 V HN 0.508 nan 8.190 nan 0.000 0.451 802 I N -0.510 120.048 120.570 -0.019 0.000 2.264 802 I HA -0.267 3.893 4.170 -0.017 0.000 0.248 802 I C 2.651 178.818 176.117 0.083 0.000 1.111 802 I CA 1.560 62.902 61.300 0.069 0.000 1.382 802 I CB -0.355 37.732 38.000 0.146 0.000 1.060 802 I HN 0.215 nan 8.210 nan 0.000 0.418 803 R N 0.275 120.800 120.500 0.043 0.000 2.189 803 R HA -0.073 4.257 4.340 -0.017 0.000 0.223 803 R C 1.981 178.315 176.300 0.056 0.000 1.092 803 R CA 0.881 57.008 56.100 0.045 0.000 0.989 803 R CB -0.248 30.063 30.300 0.019 0.000 0.876 803 R HN 0.505 nan 8.270 nan 0.000 0.457 804 N N 0.509 119.236 118.700 0.045 0.000 2.197 804 N HA -0.030 4.700 4.740 -0.017 0.000 0.184 804 N C 1.908 177.476 175.510 0.097 0.000 1.030 804 N CA 0.925 54.023 53.050 0.081 0.000 0.851 804 N CB 0.054 38.562 38.487 0.034 0.000 1.003 804 N HN 0.076 nan 8.380 nan 0.000 0.430 805 I N 1.849 122.463 120.570 0.072 0.000 2.151 805 I HA -0.279 3.881 4.170 -0.017 0.000 0.243 805 I C 2.414 178.581 176.117 0.084 0.000 1.080 805 I CA 1.185 62.533 61.300 0.079 0.000 1.339 805 I CB -0.340 37.699 38.000 0.065 0.000 1.039 805 I HN 0.102 nan 8.210 nan 0.000 0.409 806 A N 0.136 123.007 122.820 0.086 0.000 2.070 806 A HA -0.157 4.153 4.320 -0.017 0.000 0.220 806 A C 2.005 179.629 177.584 0.067 0.000 1.159 806 A CA 2.000 54.079 52.037 0.071 0.000 0.656 806 A CB -0.861 18.187 19.000 0.080 0.000 0.800 806 A HN 0.558 nan 8.150 nan 0.000 0.453 807 T N -2.915 111.694 114.554 0.090 0.000 3.174 807 T HA 0.201 4.541 4.350 -0.017 0.000 0.269 807 T C 1.102 175.896 174.700 0.157 0.000 1.017 807 T CA 0.574 62.731 62.100 0.095 0.000 0.899 807 T CB -0.146 68.778 68.868 0.093 0.000 1.077 807 T HN 0.477 nan 8.240 nan 0.000 0.552 808 S N 0.105 115.914 115.700 0.180 0.000 2.593 808 S HA 0.247 4.707 4.470 -0.017 0.000 0.217 808 S C 2.226 176.947 174.600 0.200 0.000 0.966 808 S CA 0.280 58.663 58.200 0.305 0.000 0.914 808 S CB -0.624 62.728 63.200 0.254 0.000 0.776 808 S HN 0.516 nan 8.310 nan 0.000 0.523 809 G N 2.708 111.550 108.800 0.071 0.000 2.503 809 G HA2 -0.310 3.640 3.960 -0.017 0.000 0.221 809 G HA3 -0.310 3.640 3.960 -0.017 0.000 0.221 809 G C 1.332 176.167 174.900 -0.108 0.000 1.131 809 G CA 1.095 46.200 45.100 0.008 0.000 0.756 809 G HN 0.612 nan 8.290 nan 0.000 0.572 810 K N -0.256 119.955 120.400 -0.315 0.000 2.211 810 K HA -0.045 4.265 4.320 -0.017 0.000 0.204 810 K C 1.113 177.317 176.600 -0.660 0.000 1.047 810 K CA 0.718 56.666 56.287 -0.564 0.000 0.935 810 K CB -0.230 31.756 32.500 -0.856 0.000 0.728 810 K HN 0.358 nan 8.250 nan 0.000 0.452 811 F N 0.981 120.962 119.950 0.052 0.000 2.663 811 F HA 0.164 4.680 4.527 -0.017 0.000 0.299 811 F C 0.767 176.613 175.800 0.077 0.000 1.143 811 F CA -0.323 57.714 58.000 0.062 0.000 1.387 811 F CB 0.005 39.038 39.000 0.056 0.000 1.019 811 F HN -0.137 nan 8.300 nan 0.000 0.523 812 S N 0.127 115.892 115.700 0.108 0.000 2.545 812 S HA 0.146 4.606 4.470 -0.017 0.000 0.275 812 S C 1.407 176.084 174.600 0.127 0.000 1.299 812 S CA -0.159 58.114 58.200 0.121 0.000 1.048 812 S CB 0.825 64.068 63.200 0.072 0.000 0.938 812 S HN 0.326 nan 8.310 nan 0.000 0.496 813 S N 3.063 118.865 115.700 0.171 0.000 2.555 813 S HA -0.045 4.415 4.470 -0.017 0.000 0.230 813 S C 0.859 175.515 174.600 0.093 0.000 0.978 813 S CA 0.525 58.849 58.200 0.206 0.000 0.934 813 S CB -0.300 63.095 63.200 0.325 0.000 0.766 813 S HN 0.771 nan 8.310 nan 0.000 0.533 814 D N 1.894 122.334 120.400 0.065 0.000 2.144 814 D HA -0.041 4.589 4.640 -0.017 0.000 0.200 814 D C 2.094 178.398 176.300 0.005 0.000 0.978 814 D CA 0.667 54.683 54.000 0.026 0.000 0.833 814 D CB -0.280 40.534 40.800 0.023 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.470 815 R N 0.679 121.183 120.500 0.007 0.000 2.066 815 R HA -0.080 4.250 4.340 -0.017 0.000 0.232 815 R C 1.835 178.124 176.300 -0.019 0.000 1.131 815 R CA 1.365 57.455 56.100 -0.018 0.000 0.955 815 R CB -0.663 29.612 30.300 -0.042 0.000 0.851 815 R HN 0.118 nan 8.270 nan 0.000 0.432 816 T N 2.219 116.783 114.554 0.016 0.000 2.652 816 T HA -0.129 4.211 4.350 -0.017 0.000 0.267 816 T C 1.932 176.625 174.700 -0.011 0.000 1.039 816 T CA 1.366 63.490 62.100 0.040 0.000 1.153 816 T CB -0.147 68.819 68.868 0.162 0.000 0.863 816 T HN 0.100 nan 8.240 nan 0.000 0.428 817 I N 1.744 122.232 120.570 -0.137 0.000 2.286 817 I HA -0.100 4.060 4.170 -0.017 0.000 0.248 817 I C 2.912 178.992 176.117 -0.062 0.000 1.115 817 I CA 0.910 62.098 61.300 -0.187 0.000 1.392 817 I CB -1.654 36.233 38.000 -0.189 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N 0.150 122.949 122.820 -0.036 0.000 1.940 818 A HA -0.244 4.066 4.320 -0.017 0.000 0.219 818 A C 2.245 179.793 177.584 -0.059 0.000 1.176 818 A CA 1.506 53.531 52.037 -0.021 0.000 0.631 818 A CB -0.564 18.426 19.000 -0.017 0.000 0.814 818 A HN 0.523 nan 8.150 nan 0.000 0.446 819 Q N -1.992 117.750 119.800 -0.096 0.000 2.083 819 Q HA -0.154 4.176 4.340 -0.017 0.000 0.198 819 Q C 1.934 177.769 176.000 -0.274 0.000 0.969 819 Q CA 1.548 57.254 55.803 -0.162 0.000 0.838 819 Q CB -0.279 28.351 28.738 -0.182 0.000 0.900 819 Q HN 0.826 nan 8.270 nan 0.000 0.436 820 Y N 0.619 120.634 120.300 -0.475 0.000 2.145 820 Y HA -0.270 4.270 4.550 -0.017 0.000 0.286 820 Y C 2.481 177.829 175.900 -0.919 0.000 1.145 820 Y CA 1.291 58.856 58.100 -0.892 0.000 1.148 820 Y CB -0.404 37.204 38.460 -1.419 0.000 0.981 820 Y HN 0.149 nan 8.280 nan 0.000 0.507 821 A N 0.281 122.905 122.820 -0.326 0.000 1.865 821 A HA -0.242 4.068 4.320 -0.017 0.000 0.217 821 A C 2.213 179.831 177.584 0.057 0.000 1.191 821 A CA 2.179 54.282 52.037 0.109 0.000 0.623 821 A CB -0.592 18.539 19.000 0.218 0.000 0.826 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.803 119.685 120.500 -0.019 0.000 2.093 822 R HA -0.000 4.330 4.340 -0.017 0.000 0.224 822 R C 1.849 178.130 176.300 -0.032 0.000 1.101 822 R CA 1.399 57.493 56.100 -0.010 0.000 0.979 822 R CB -0.128 30.160 30.300 -0.020 0.000 0.877 822 R HN 0.651 nan 8.270 nan 0.000 0.441 823 E N -0.509 119.632 120.200 -0.098 0.000 2.415 823 E HA 0.093 4.433 4.350 -0.017 0.000 0.197 823 E C 1.336 177.888 176.600 -0.080 0.000 1.007 823 E CA 0.469 56.813 56.400 -0.094 0.000 0.890 823 E CB 0.557 30.172 29.700 -0.140 0.000 0.891 823 E HN 0.293 nan 8.360 nan 0.000 0.496 824 I N -1.273 119.217 120.570 -0.134 0.000 3.739 824 I HA 0.018 4.178 4.170 -0.017 0.000 0.272 824 I C 1.321 177.567 176.117 0.216 0.000 1.167 824 I CA -0.095 61.184 61.300 -0.035 0.000 1.386 824 I CB 0.168 38.004 38.000 -0.274 0.000 1.490 824 I HN 0.117 nan 8.210 nan 0.000 0.452 825 W N 1.653 123.048 121.300 0.158 0.000 2.518 825 W HA 0.253 4.903 4.660 -0.017 0.000 0.273 825 W C 1.591 178.147 176.519 0.061 0.000 1.247 825 W CA 1.031 58.449 57.345 0.122 0.000 1.288 825 W CB -1.121 28.398 29.460 0.098 0.000 1.107 825 W HN 0.359 nan 8.180 nan 0.000 0.586 826 G N 0.774 109.715 108.800 0.235 0.000 2.212 826 G HA2 -0.141 3.809 3.960 -0.017 0.000 0.255 826 G HA3 -0.141 3.809 3.960 -0.017 0.000 0.255 826 G C -0.577 174.396 174.900 0.121 0.000 1.062 826 G CA 0.224 45.403 45.100 0.132 0.000 0.815 826 G HN 0.246 nan 8.290 nan 0.000 0.497 827 V N -1.035 118.973 119.914 0.158 0.000 2.876 827 V HA 0.829 4.939 4.120 -0.017 0.000 0.312 827 V C -0.417 175.739 176.094 0.102 0.000 1.085 827 V CA -0.817 61.553 62.300 0.118 0.000 0.945 827 V CB 2.113 34.012 31.823 0.127 0.000 1.017 827 V HN 0.441 nan 8.190 nan 0.000 0.428 828 E N 6.924 127.165 120.200 0.069 0.000 2.146 828 E HA 0.577 4.917 4.350 -0.017 0.000 0.282 828 E C -2.538 174.098 176.600 0.059 0.000 0.989 828 E CA -2.113 54.321 56.400 0.056 0.000 0.799 828 E CB 1.354 31.078 29.700 0.041 0.000 1.088 828 E HN 0.606 nan 8.360 nan 0.000 0.397 829 P HA 0.134 nan 4.420 nan 0.000 0.269 829 P C -1.098 176.230 177.300 0.047 0.000 1.215 829 P CA -0.304 62.830 63.100 0.056 0.000 0.780 829 P CB 1.050 32.779 31.700 0.047 0.000 0.898 830 S N 1.115 116.845 115.700 0.050 0.000 2.543 830 S HA 0.374 4.834 4.470 -0.017 0.000 0.271 830 S C 0.000 174.625 174.600 0.041 0.000 1.148 830 S CA -0.773 57.455 58.200 0.046 0.000 0.914 830 S CB 0.984 64.217 63.200 0.055 0.000 1.096 830 S HN 0.250 nan 8.310 nan 0.000 0.471 831 R N 2.178 122.697 120.500 0.032 0.000 2.552 831 R HA 0.217 4.547 4.340 -0.017 0.000 0.314 831 R C 0.007 176.317 176.300 0.016 0.000 1.041 831 R CA -0.207 55.909 56.100 0.027 0.000 1.076 831 R CB 0.243 30.560 30.300 0.027 0.000 1.290 831 R HN 0.661 nan 8.270 nan 0.000 0.563 832 Q N 1.912 121.722 119.800 0.018 0.000 2.330 832 Q HA 0.006 4.336 4.340 -0.017 0.000 0.279 832 Q C -0.137 175.854 176.000 -0.016 0.000 1.024 832 Q CA 0.670 56.476 55.803 0.006 0.000 0.900 832 Q CB 0.813 29.562 28.738 0.018 0.000 1.221 832 Q HN 0.171 nan 8.270 nan 0.000 0.396 833 R N 1.729 122.210 120.500 -0.032 0.000 2.536 833 R HA 0.572 4.902 4.340 -0.017 0.000 0.279 833 R C -0.418 175.832 176.300 -0.083 0.000 1.001 833 R CA -0.674 55.393 56.100 -0.056 0.000 1.027 833 R CB 0.678 30.945 30.300 -0.055 0.000 1.096 833 R HN 0.362 nan 8.270 nan 0.000 0.502 834 L N 2.000 123.153 121.223 -0.117 0.000 2.399 834 L HA 0.514 4.844 4.340 -0.017 0.000 0.265 834 L C -1.910 174.901 176.870 -0.098 0.000 1.089 834 L CA -2.446 52.299 54.840 -0.157 0.000 0.802 834 L CB 1.223 43.145 42.059 -0.229 0.000 1.180 834 L HN 0.472 nan 8.230 nan 0.000 0.454 835 P HA 0.104 nan 4.420 nan 0.000 0.272 835 P C -0.922 176.353 177.300 -0.041 0.000 1.230 835 P CA -0.428 62.643 63.100 -0.049 0.000 0.788 835 P CB 0.533 32.213 31.700 -0.034 0.000 0.949 836 A N 3.750 126.554 122.820 -0.026 0.000 2.425 836 A HA 0.296 4.606 4.320 -0.017 0.000 0.249 836 A C -1.098 176.485 177.584 -0.001 0.000 1.084 836 A CA -0.881 51.149 52.037 -0.012 0.000 0.781 836 A CB -1.244 17.754 19.000 -0.003 0.000 1.019 836 A HN 0.433 nan 8.150 nan 0.000 0.490 837 P HA -0.219 nan 4.420 nan 0.000 0.224 837 P C 0.156 177.462 177.300 0.010 0.000 1.153 837 P CA 1.852 64.960 63.100 0.013 0.000 0.947 837 P CB -0.196 31.520 31.700 0.026 0.000 0.790 838 D N 0.000 120.408 120.400 0.014 0.000 6.856 838 D HA 0.000 4.630 4.640 -0.017 0.000 0.175 838 D CA 0.000 54.006 54.000 0.010 0.000 0.868 838 D CB 0.000 40.809 40.800 0.015 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683