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 5r1r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNQNLLVTKR DGSTERINLD KIHRVLDWAA EGLHNVSISQ VELRSHIQFY DATA SEQUENCE DGIKTSDIHE TIIKAAADLI SRDAPDYQYL AARLAIFHLR KKAYGQFEPP DATA SEQUENCE ALYDHVVKMV EMGKYDNHLL EDYTEEEFKQ MDTFIDHDRD MTFSYAAVKQ DATA SEQUENCE LEGKYLVQNR VTGEIYESAQ FLYILVAACL FSNYPRETRL QYVKRFYDAV DATA SEQUENCE STFKISLPTP IMSGVRTPTR QFSScVLIEC GDSLDSINAT SSAIVKYVSQ DATA SEQUENCE RAGIGINAGR IRALGSPIRG GEAFHTGCIP FYKHFQTAVK SCSQGGVRGG DATA SEQUENCE AATLFYPMWH LEVESLLVLK NNRGVEGNRV RHMDYGVQIN KLMYTRLLKG DATA SEQUENCE EDITLFSPSD VPGLYDAFFA DQEEFERLYT KYEKDDSIRK QRVKAVELFS DATA SEQUENCE LMMQERASTG RIYIQNVDHC NTHSPFDPAI APVRQSNLCL AIALPTKPLN DATA SEQUENCE DVNDENGEIA LcTLSAFNLG AINNLDELEE LAILAVRALD ALLDYQDYPI DATA SEQUENCE PAAKRGAMGR RTLGIGVINF AYYLAKHGKR YSDGSANNLT HKTFEAIQYY DATA SEQUENCE LLKASNELAK EQGACPWFNE TTYAKGILPI DTYKKDLDTI ANEPLHYDWE DATA SEQUENCE ALRESIKTHG LRNSTLSALM PSETSSQISN ATNGIEPPRG YVSIKASKDG DATA SEQUENCE ILRQVVPDYE HLHDAYELLW EMPGNDGYLQ LVGIMQKFID QSISANTNYD DATA SEQUENCE PSRFPSGKVP MQQLLKDLLT AYKFGVKTLY YQNTRDGA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 N N 1.210 119.915 118.700 0.007 0.000 2.537 2 N HA 0.111 4.851 4.740 0.001 0.000 0.239 2 N C -0.891 174.623 175.510 0.007 0.000 1.402 2 N CA 0.040 53.093 53.050 0.006 0.000 1.311 2 N CB 0.734 39.224 38.487 0.004 0.000 1.386 2 N HN 0.347 nan 8.380 nan 0.000 0.561 3 Q N 0.421 120.227 119.800 0.009 0.000 2.489 3 Q HA 0.275 4.615 4.340 0.001 0.000 0.231 3 Q C 0.941 176.948 176.000 0.012 0.000 1.273 3 Q CA 0.128 55.938 55.803 0.012 0.000 0.898 3 Q CB 0.073 28.820 28.738 0.015 0.000 1.545 3 Q HN 0.136 nan 8.270 nan 0.000 0.538 4 N N 2.161 120.865 118.700 0.006 0.000 2.244 4 N HA 0.145 4.885 4.740 0.001 0.000 0.189 4 N C -0.077 175.428 175.510 -0.008 0.000 1.047 4 N CA 0.341 53.391 53.050 -0.000 0.000 0.870 4 N CB 0.215 38.698 38.487 -0.006 0.000 1.041 4 N HN 0.442 nan 8.380 nan 0.000 0.448 5 L N 0.862 122.076 121.223 -0.014 0.000 1.576 5 L HA -0.101 4.239 4.340 0.001 0.000 0.651 5 L C -1.385 175.447 176.870 -0.063 0.000 1.027 5 L CA -0.279 54.541 54.840 -0.033 0.000 1.359 5 L CB -0.662 41.375 42.059 -0.037 0.000 2.192 5 L HN 0.127 nan 8.230 nan 0.000 1.036 6 L N 3.856 125.045 121.223 -0.057 0.000 2.315 6 L HA 0.424 4.764 4.340 0.001 0.000 0.283 6 L C 0.538 177.344 176.870 -0.106 0.000 1.089 6 L CA -0.635 54.167 54.840 -0.064 0.000 0.833 6 L CB 0.907 42.943 42.059 -0.038 0.000 1.170 6 L HN 0.142 nan 8.230 nan 0.000 0.442 7 V N 2.025 121.864 119.914 -0.125 0.000 2.649 7 V HA 0.279 4.399 4.120 0.001 0.000 0.292 7 V C 0.667 176.689 176.094 -0.119 0.000 1.055 7 V CA -0.347 61.853 62.300 -0.167 0.000 1.023 7 V CB 1.499 33.210 31.823 -0.187 0.000 0.992 7 V HN 0.852 nan 8.190 nan 0.000 0.480 8 T N 4.399 118.880 114.554 -0.121 0.000 2.797 8 T HA 0.495 4.845 4.350 0.001 0.000 0.279 8 T C -0.431 174.224 174.700 -0.076 0.000 0.991 8 T CA -0.810 61.243 62.100 -0.077 0.000 0.979 8 T CB 0.882 69.719 68.868 -0.051 0.000 0.943 8 T HN 0.659 nan 8.240 nan 0.000 0.444 9 K N 2.814 123.182 120.400 -0.052 0.000 2.168 9 K HA 0.454 4.775 4.320 0.001 0.000 0.239 9 K C -0.067 176.517 176.600 -0.026 0.000 0.999 9 K CA -1.133 55.129 56.287 -0.043 0.000 0.900 9 K CB 0.857 33.340 32.500 -0.029 0.000 1.111 9 K HN 0.556 nan 8.250 nan 0.000 0.452 10 R N 2.020 122.509 120.500 -0.017 0.000 2.770 10 R HA -0.069 4.271 4.340 0.001 0.000 0.361 10 R C -0.815 175.481 176.300 -0.006 0.000 0.860 10 R CA 0.344 56.439 56.100 -0.008 0.000 1.071 10 R CB -0.986 29.313 30.300 -0.002 0.000 0.907 10 R HN 0.464 nan 8.270 nan 0.000 0.403 11 D N 2.452 122.849 120.400 -0.005 0.000 3.137 11 D HA -0.198 4.443 4.640 0.001 0.000 0.196 11 D C 0.920 177.218 176.300 -0.004 0.000 1.270 11 D CA 1.834 55.832 54.000 -0.004 0.000 0.716 11 D CB -0.628 40.171 40.800 -0.001 0.000 0.891 11 D HN 0.884 nan 8.370 nan 0.000 0.396 12 G N -0.734 108.062 108.800 -0.007 0.000 3.934 12 G HA2 0.177 4.138 3.960 0.001 0.000 0.212 12 G HA3 0.177 4.138 3.960 0.001 0.000 0.212 12 G C 0.761 175.654 174.900 -0.011 0.000 1.126 12 G CA 0.747 45.843 45.100 -0.007 0.000 0.877 12 G HN 0.394 nan 8.290 nan 0.000 0.556 13 S N 0.321 116.013 115.700 -0.013 0.000 3.645 13 S HA -0.271 4.200 4.470 0.001 0.000 0.570 13 S C 1.198 175.785 174.600 -0.023 0.000 2.436 13 S CA 1.696 59.886 58.200 -0.017 0.000 4.077 13 S CB -1.680 61.514 63.200 -0.011 0.000 0.856 13 S HN 1.694 nan 8.310 nan 0.000 0.996 14 T N 1.625 116.166 114.554 -0.021 0.000 2.819 14 T HA 0.258 4.608 4.350 0.001 0.000 0.320 14 T C 0.043 174.727 174.700 -0.027 0.000 1.044 14 T CA 1.122 63.208 62.100 -0.024 0.000 1.135 14 T CB -0.043 68.815 68.868 -0.016 0.000 1.089 14 T HN 0.893 nan 8.240 nan 0.000 0.502 15 E N 0.359 120.539 120.200 -0.033 0.000 2.532 15 E HA 0.209 4.560 4.350 0.001 0.000 0.289 15 E C -1.002 175.573 176.600 -0.041 0.000 1.165 15 E CA -0.885 55.496 56.400 -0.032 0.000 0.926 15 E CB 1.018 30.698 29.700 -0.033 0.000 1.164 15 E HN 0.698 nan 8.360 nan 0.000 0.436 16 R N 1.842 122.322 120.500 -0.032 0.000 2.726 16 R HA 0.351 4.691 4.340 0.001 0.000 0.272 16 R C 0.559 176.830 176.300 -0.049 0.000 1.097 16 R CA -0.461 55.618 56.100 -0.035 0.000 1.198 16 R CB 0.331 30.618 30.300 -0.021 0.000 1.114 16 R HN 0.392 nan 8.270 nan 0.000 0.550 17 I N 1.541 122.079 120.570 -0.054 0.000 2.836 17 I HA -0.057 4.113 4.170 0.001 0.000 0.285 17 I C -0.054 176.040 176.117 -0.038 0.000 1.174 17 I CA 0.463 61.722 61.300 -0.069 0.000 1.405 17 I CB 0.588 38.548 38.000 -0.067 0.000 1.385 17 I HN 0.594 nan 8.210 nan 0.000 0.594 18 N N 6.210 124.888 118.700 -0.037 0.000 2.725 18 N HA 0.209 4.950 4.740 0.001 0.000 0.248 18 N C 0.380 175.909 175.510 0.032 0.000 1.402 18 N CA -0.229 52.822 53.050 0.002 0.000 0.766 18 N CB 0.576 39.069 38.487 0.010 0.000 1.223 18 N HN 0.481 nan 8.380 nan 0.000 0.515 19 L N -0.270 120.986 121.223 0.054 0.000 2.478 19 L HA 0.071 4.411 4.340 0.001 0.000 0.223 19 L C 0.944 177.912 176.870 0.163 0.000 1.140 19 L CA 0.589 55.511 54.840 0.135 0.000 0.842 19 L CB 0.171 42.334 42.059 0.172 0.000 0.953 19 L HN 0.173 nan 8.230 nan 0.000 0.452 20 D N -0.137 120.325 120.400 0.104 0.000 2.301 20 D HA -0.068 4.572 4.640 0.001 0.000 0.206 20 D C 2.063 178.431 176.300 0.113 0.000 0.979 20 D CA 0.573 54.633 54.000 0.100 0.000 0.874 20 D CB 0.357 41.187 40.800 0.050 0.000 0.968 20 D HN 0.145 nan 8.370 nan 0.000 0.510 21 K N 0.560 121.012 120.400 0.087 0.000 2.001 21 K HA -0.042 4.279 4.320 0.001 0.000 0.208 21 K C 2.205 178.849 176.600 0.073 0.000 1.048 21 K CA 0.641 56.968 56.287 0.067 0.000 0.932 21 K CB -0.039 32.498 32.500 0.061 0.000 0.715 21 K HN 0.073 nan 8.250 nan 0.000 0.437 22 I N 0.025 120.663 120.570 0.113 0.000 2.151 22 I HA -0.352 3.818 4.170 0.001 0.000 0.243 22 I C 2.481 178.678 176.117 0.132 0.000 1.080 22 I CA 1.722 63.106 61.300 0.139 0.000 1.339 22 I CB -0.476 37.663 38.000 0.231 0.000 1.039 22 I HN 0.330 nan 8.210 nan 0.000 0.409 23 H N 1.110 120.233 119.070 0.089 0.000 2.319 23 H HA -0.139 4.417 4.556 0.001 0.000 0.299 23 H C 2.454 177.801 175.328 0.031 0.000 1.092 23 H CA 1.854 57.937 56.048 0.059 0.000 1.302 23 H CB 0.027 29.821 29.762 0.053 0.000 1.373 23 H HN 0.076 nan 8.280 nan 0.000 0.497 24 R N -0.340 120.228 120.500 0.114 0.000 2.115 24 R HA -0.173 4.167 4.340 0.001 0.000 0.239 24 R C 2.412 178.690 176.300 -0.037 0.000 1.133 24 R CA 2.028 58.150 56.100 0.035 0.000 0.935 24 R CB -0.690 29.629 30.300 0.032 0.000 0.853 24 R HN 0.224 nan 8.270 nan 0.000 0.433 25 V N 1.623 121.475 119.914 -0.103 0.000 2.250 25 V HA -0.310 3.810 4.120 0.001 0.000 0.250 25 V C 2.436 178.527 176.094 -0.006 0.000 1.060 25 V CA 2.037 64.212 62.300 -0.208 0.000 1.030 25 V CB -0.663 30.889 31.823 -0.452 0.000 0.643 25 V HN 0.306 nan 8.190 nan 0.000 0.445 26 L N 0.065 121.245 121.223 -0.071 0.000 1.989 26 L HA -0.254 4.086 4.340 0.001 0.000 0.211 26 L C 2.517 179.309 176.870 -0.129 0.000 1.071 26 L CA 2.329 57.116 54.840 -0.089 0.000 0.749 26 L CB -0.707 41.274 42.059 -0.130 0.000 0.890 26 L HN 0.455 nan 8.230 nan 0.000 0.431 27 D N -0.904 119.361 120.400 -0.225 0.000 2.133 27 D HA -0.312 4.328 4.640 0.001 0.000 0.192 27 D C 1.877 178.139 176.300 -0.064 0.000 1.001 27 D CA 1.746 55.630 54.000 -0.194 0.000 0.844 27 D CB -0.262 40.410 40.800 -0.213 0.000 0.944 27 D HN 0.383 nan 8.370 nan 0.000 0.447 28 W N 1.444 122.640 121.300 -0.175 0.000 2.315 28 W HA -0.226 4.434 4.660 0.001 0.000 0.323 28 W C 2.349 178.800 176.519 -0.113 0.000 1.233 28 W CA 2.855 60.115 57.345 -0.142 0.000 1.267 28 W CB -1.010 28.339 29.460 -0.186 0.000 1.160 28 W HN 0.042 nan 8.180 nan 0.000 0.474 29 A N 0.807 123.306 122.820 -0.536 0.000 1.986 29 A HA -0.099 4.222 4.320 0.001 0.000 0.220 29 A C 2.103 179.394 177.584 -0.488 0.000 1.171 29 A CA 2.762 54.299 52.037 -0.834 0.000 0.640 29 A CB -1.543 17.251 19.000 -0.343 0.000 0.811 29 A HN 0.631 nan 8.150 nan 0.000 0.451 30 A N -0.870 121.762 122.820 -0.314 0.000 2.067 30 A HA 0.110 4.430 4.320 0.001 0.000 0.217 30 A C 0.850 178.284 177.584 -0.249 0.000 1.156 30 A CA 0.317 52.209 52.037 -0.242 0.000 0.683 30 A CB -0.232 18.652 19.000 -0.194 0.000 0.808 30 A HN 0.343 nan 8.150 nan 0.000 0.455 31 E N -0.141 119.898 120.200 -0.269 0.000 2.820 31 E HA 0.193 4.543 4.350 0.001 0.000 0.251 31 E C 1.322 177.800 176.600 -0.203 0.000 0.944 31 E CA 1.042 57.315 56.400 -0.212 0.000 0.955 31 E CB -0.342 29.241 29.700 -0.194 0.000 0.904 31 E HN 0.763 nan 8.360 nan 0.000 0.513 32 G N 2.768 111.457 108.800 -0.185 0.000 2.253 32 G HA2 -0.289 3.671 3.960 0.001 0.000 0.251 32 G HA3 -0.289 3.671 3.960 0.001 0.000 0.251 32 G C 0.333 175.105 174.900 -0.213 0.000 0.998 32 G CA 0.319 45.321 45.100 -0.164 0.000 0.621 32 G HN 0.410 nan 8.290 nan 0.000 0.524 33 L N 1.166 122.237 121.223 -0.252 0.000 2.421 33 L HA 0.646 4.987 4.340 0.001 0.000 0.263 33 L C 0.539 177.160 176.870 -0.416 0.000 1.122 33 L CA -1.055 53.657 54.840 -0.214 0.000 0.804 33 L CB 0.893 42.858 42.059 -0.156 0.000 1.150 33 L HN 0.091 nan 8.230 nan 0.000 0.457 34 H N 1.466 120.488 119.070 -0.079 0.000 2.538 34 H HA 0.245 4.801 4.556 0.001 0.000 0.353 34 H C -0.263 175.000 175.328 -0.108 0.000 1.109 34 H CA -0.578 55.427 56.048 -0.072 0.000 1.192 34 H CB 1.732 31.474 29.762 -0.033 0.000 1.555 34 H HN 0.646 nan 8.280 nan 0.000 0.518 35 N N -0.120 118.571 118.700 -0.014 0.000 2.818 35 N HA -0.185 4.555 4.740 0.001 0.000 0.250 35 N C -0.670 174.719 175.510 -0.202 0.000 1.108 35 N CA 0.860 53.875 53.050 -0.059 0.000 0.745 35 N CB -0.848 37.629 38.487 -0.016 0.000 1.104 35 N HN 0.340 nan 8.380 nan 0.000 0.557 36 V N -3.101 116.637 119.914 -0.294 0.000 2.448 36 V HA 0.737 4.857 4.120 0.001 0.000 0.295 36 V C 0.398 176.397 176.094 -0.158 0.000 1.025 36 V CA -0.706 61.297 62.300 -0.496 0.000 0.859 36 V CB 2.129 33.504 31.823 -0.747 0.000 0.988 36 V HN 0.061 nan 8.190 nan 0.000 0.431 37 S N 4.048 119.781 115.700 0.055 0.000 2.399 37 S HA 0.504 4.974 4.470 0.001 0.000 0.301 37 S C 1.013 175.652 174.600 0.065 0.000 1.093 37 S CA -0.608 57.630 58.200 0.063 0.000 1.077 37 S CB 0.203 63.454 63.200 0.086 0.000 0.980 37 S HN 0.722 nan 8.310 nan 0.000 0.494 38 I N 3.949 124.521 120.570 0.005 0.000 2.208 38 I HA -0.221 3.949 4.170 0.001 0.000 0.245 38 I C 2.663 178.782 176.117 0.003 0.000 1.097 38 I CA 1.545 62.838 61.300 -0.012 0.000 1.363 38 I CB -0.458 37.497 38.000 -0.075 0.000 1.051 38 I HN 0.752 nan 8.210 nan 0.000 0.413 39 S N 0.302 116.011 115.700 0.016 0.000 2.359 39 S HA -0.310 4.160 4.470 0.001 0.000 0.223 39 S C 2.047 176.624 174.600 -0.039 0.000 1.039 39 S CA 1.108 59.301 58.200 -0.011 0.000 1.042 39 S CB -0.595 62.603 63.200 -0.003 0.000 0.915 39 S HN 0.372 nan 8.310 nan 0.000 0.439 40 Q N 1.195 120.989 119.800 -0.010 0.000 2.062 40 Q HA -0.096 4.244 4.340 0.001 0.000 0.209 40 Q C 2.520 178.487 176.000 -0.054 0.000 0.996 40 Q CA 1.950 57.739 55.803 -0.023 0.000 0.859 40 Q CB -1.265 27.484 28.738 0.017 0.000 0.920 40 Q HN 0.570 nan 8.270 nan 0.000 0.415 41 V N 0.994 120.891 119.914 -0.027 0.000 2.287 41 V HA -0.269 3.852 4.120 0.001 0.000 0.248 41 V C 2.217 178.258 176.094 -0.089 0.000 1.053 41 V CA 2.206 64.479 62.300 -0.046 0.000 1.027 41 V CB -0.569 31.261 31.823 0.012 0.000 0.646 41 V HN 0.420 nan 8.190 nan 0.000 0.447 42 E N -0.090 120.028 120.200 -0.137 0.000 2.051 42 E HA -0.191 4.159 4.350 0.001 0.000 0.192 42 E C 2.281 178.656 176.600 -0.374 0.000 0.991 42 E CA 1.286 57.478 56.400 -0.345 0.000 0.799 42 E CB -0.243 29.180 29.700 -0.463 0.000 0.748 42 E HN 0.478 nan 8.360 nan 0.000 0.449 43 L N 0.544 121.629 121.223 -0.230 0.000 1.971 43 L HA -0.260 4.080 4.340 0.001 0.000 0.215 43 L C 2.605 179.392 176.870 -0.138 0.000 1.072 43 L CA 1.536 56.280 54.840 -0.161 0.000 0.758 43 L CB -0.329 41.668 42.059 -0.102 0.000 0.889 43 L HN 0.060 nan 8.230 nan 0.000 0.433 44 R N -0.555 119.871 120.500 -0.124 0.000 2.152 44 R HA -0.120 4.220 4.340 0.001 0.000 0.232 44 R C 2.337 178.557 176.300 -0.133 0.000 1.117 44 R CA 1.550 57.584 56.100 -0.111 0.000 0.981 44 R CB -0.153 30.084 30.300 -0.104 0.000 0.870 44 R HN 0.505 nan 8.270 nan 0.000 0.451 45 S N -1.442 114.155 115.700 -0.171 0.000 2.499 45 S HA 0.043 4.514 4.470 0.001 0.000 0.225 45 S C 1.558 175.695 174.600 -0.772 0.000 1.050 45 S CA -0.037 57.995 58.200 -0.278 0.000 0.928 45 S CB -0.232 62.907 63.200 -0.102 0.000 0.803 45 S HN 0.387 nan 8.310 nan 0.000 0.506 46 H N 0.720 119.290 119.070 -0.833 0.000 2.387 46 H HA 0.047 4.603 4.556 0.001 0.000 0.299 46 H C 1.925 176.924 175.328 -0.548 0.000 1.090 46 H CA 1.271 56.746 56.048 -0.954 0.000 1.332 46 H CB -0.126 29.431 29.762 -0.343 0.000 1.386 46 H HN 0.267 nan 8.280 nan 0.000 0.516 47 I N 1.796 122.254 120.570 -0.187 0.000 2.530 47 I HA -0.254 3.916 4.170 0.001 0.000 0.257 47 I C 1.631 177.721 176.117 -0.046 0.000 1.179 47 I CA 1.505 62.755 61.300 -0.083 0.000 1.440 47 I CB -0.197 37.767 38.000 -0.059 0.000 1.087 47 I HN 0.349 nan 8.210 nan 0.000 0.440 48 Q N -1.207 118.538 119.800 -0.090 0.000 2.198 48 Q HA 0.151 4.491 4.340 0.001 0.000 0.209 48 Q C -0.372 175.810 176.000 0.303 0.000 0.848 48 Q CA -0.279 55.578 55.803 0.090 0.000 0.974 48 Q CB -0.010 28.782 28.738 0.088 0.000 1.115 48 Q HN 0.152 nan 8.270 nan 0.000 0.494 49 F N 2.354 122.338 119.950 0.055 0.000 2.427 49 F HA 0.280 4.808 4.527 0.001 0.000 0.352 49 F C -0.007 175.805 175.800 0.020 0.000 1.100 49 F CA -1.920 56.041 58.000 -0.065 0.000 1.191 49 F CB 0.023 38.933 39.000 -0.151 0.000 1.128 49 F HN 0.038 nan 8.300 nan 0.000 0.533 50 Y N -0.476 119.910 120.300 0.144 0.000 2.499 50 Y HA 0.431 4.982 4.550 0.001 0.000 0.347 50 Y C 0.795 176.708 175.900 0.022 0.000 0.987 50 Y CA -1.509 56.631 58.100 0.067 0.000 1.044 50 Y CB 0.247 38.735 38.460 0.047 0.000 1.245 50 Y HN 0.489 nan 8.280 nan 0.000 0.461 51 D N 2.553 123.029 120.400 0.126 0.000 2.865 51 D HA -0.230 4.410 4.640 0.001 0.000 0.271 51 D C 1.335 177.616 176.300 -0.031 0.000 1.158 51 D CA 2.526 56.550 54.000 0.040 0.000 1.048 51 D CB -0.486 40.354 40.800 0.067 0.000 1.380 51 D HN 0.985 nan 8.370 nan 0.000 0.520 52 G N 0.527 109.350 108.800 0.039 0.000 3.541 52 G HA2 0.315 4.275 3.960 0.001 0.000 0.253 52 G HA3 0.315 4.275 3.960 0.001 0.000 0.253 52 G C 0.450 175.307 174.900 -0.072 0.000 1.017 52 G CA -0.382 44.707 45.100 -0.018 0.000 1.832 52 G HN 0.385 nan 8.290 nan 0.000 0.649 53 I N 0.638 121.005 120.570 -0.338 0.000 2.519 53 I HA 0.325 4.496 4.170 0.001 0.000 0.287 53 I C 0.581 176.517 176.117 -0.302 0.000 1.047 53 I CA -1.059 59.933 61.300 -0.513 0.000 1.381 53 I CB 0.887 38.206 38.000 -1.136 0.000 1.417 53 I HN 0.210 nan 8.210 nan 0.000 0.540 54 K N 4.136 124.425 120.400 -0.184 0.000 2.202 54 K HA 0.158 4.478 4.320 0.001 0.000 0.264 54 K C 0.857 177.314 176.600 -0.239 0.000 1.010 54 K CA 0.067 56.258 56.287 -0.159 0.000 0.940 54 K CB 0.779 33.230 32.500 -0.080 0.000 0.983 54 K HN 0.786 nan 8.250 nan 0.000 0.475 55 T N -1.686 112.722 114.554 -0.243 0.000 2.699 55 T HA -0.277 4.073 4.350 0.001 0.000 0.268 55 T C 2.191 176.602 174.700 -0.482 0.000 1.036 55 T CA 1.940 63.825 62.100 -0.359 0.000 1.147 55 T CB -0.624 68.076 68.868 -0.281 0.000 0.862 55 T HN 0.741 nan 8.240 nan 0.000 0.446 56 S N 2.084 117.629 115.700 -0.258 0.000 2.383 56 S HA -0.212 4.259 4.470 0.001 0.000 0.229 56 S C 1.706 176.215 174.600 -0.152 0.000 1.030 56 S CA 1.558 59.686 58.200 -0.121 0.000 1.002 56 S CB -0.771 62.455 63.200 0.043 0.000 0.829 56 S HN 0.519 nan 8.310 nan 0.000 0.467 57 D N 1.549 121.866 120.400 -0.139 0.000 2.183 57 D HA 0.081 4.722 4.640 0.001 0.000 0.203 57 D C 2.052 178.301 176.300 -0.086 0.000 0.969 57 D CA 0.796 54.750 54.000 -0.077 0.000 0.842 57 D CB -0.270 40.506 40.800 -0.039 0.000 0.957 57 D HN 0.435 nan 8.370 nan 0.000 0.484 58 I N 0.652 121.078 120.570 -0.240 0.000 2.226 58 I HA -0.250 3.921 4.170 0.001 0.000 0.245 58 I C 2.091 178.252 176.117 0.075 0.000 1.100 58 I CA 1.354 62.519 61.300 -0.226 0.000 1.374 58 I CB -1.056 36.668 38.000 -0.461 0.000 1.057 58 I HN 0.208 nan 8.210 nan 0.000 0.413 59 H N 0.645 119.683 119.070 -0.053 0.000 2.326 59 H HA -0.105 4.451 4.556 0.001 0.000 0.301 59 H C 2.250 177.511 175.328 -0.112 0.000 1.081 59 H CA 0.816 56.819 56.048 -0.074 0.000 1.334 59 H CB 0.196 29.830 29.762 -0.213 0.000 1.385 59 H HN 0.272 nan 8.280 nan 0.000 0.504 60 E N 0.474 120.652 120.200 -0.037 0.000 2.058 60 E HA -0.139 4.211 4.350 0.001 0.000 0.194 60 E C 2.317 178.954 176.600 0.062 0.000 0.997 60 E CA 1.443 57.836 56.400 -0.011 0.000 0.801 60 E CB -0.571 29.130 29.700 0.001 0.000 0.746 60 E HN 0.452 nan 8.360 nan 0.000 0.450 61 T N 2.669 117.289 114.554 0.111 0.000 2.674 61 T HA -0.136 4.215 4.350 0.001 0.000 0.265 61 T C 2.195 176.971 174.700 0.127 0.000 1.039 61 T CA 1.646 63.834 62.100 0.148 0.000 1.150 61 T CB -0.434 68.608 68.868 0.289 0.000 0.864 61 T HN 0.392 nan 8.240 nan 0.000 0.427 62 I N -0.336 120.346 120.570 0.185 0.000 2.286 62 I HA -0.092 4.078 4.170 0.001 0.000 0.248 62 I C 2.229 178.381 176.117 0.059 0.000 1.115 62 I CA 1.518 62.903 61.300 0.141 0.000 1.392 62 I CB -0.675 37.447 38.000 0.202 0.000 1.065 62 I HN 0.164 nan 8.210 nan 0.000 0.418 63 I N 1.364 121.968 120.570 0.057 0.000 2.099 63 I HA -0.279 3.892 4.170 0.001 0.000 0.239 63 I C 2.842 178.897 176.117 -0.104 0.000 1.066 63 I CA 1.725 63.026 61.300 0.001 0.000 1.324 63 I CB -0.537 37.507 38.000 0.075 0.000 1.037 63 I HN 0.209 nan 8.210 nan 0.000 0.401 64 K N 0.740 121.111 120.400 -0.049 0.000 2.020 64 K HA -0.253 4.067 4.320 0.001 0.000 0.212 64 K C 2.256 178.784 176.600 -0.120 0.000 1.050 64 K CA 1.770 58.010 56.287 -0.078 0.000 0.929 64 K CB -0.392 32.102 32.500 -0.010 0.000 0.714 64 K HN 0.353 nan 8.250 nan 0.000 0.443 65 A N 1.430 124.202 122.820 -0.080 0.000 1.881 65 A HA -0.298 4.023 4.320 0.001 0.000 0.219 65 A C 2.369 179.849 177.584 -0.174 0.000 1.215 65 A CA 2.666 54.639 52.037 -0.107 0.000 0.648 65 A CB -1.034 17.928 19.000 -0.063 0.000 0.832 65 A HN 0.458 nan 8.150 nan 0.000 0.455 66 A N -0.583 122.151 122.820 -0.143 0.000 1.883 66 A HA 0.115 4.436 4.320 0.001 0.000 0.217 66 A C 2.577 180.002 177.584 -0.265 0.000 1.186 66 A CA 2.593 54.544 52.037 -0.144 0.000 0.624 66 A CB -1.210 17.763 19.000 -0.044 0.000 0.822 66 A HN 1.306 nan 8.150 nan 0.000 0.444 67 A N 0.018 122.621 122.820 -0.362 0.000 1.908 67 A HA -0.210 4.110 4.320 0.001 0.000 0.218 67 A C 1.669 179.096 177.584 -0.263 0.000 1.181 67 A CA 1.906 53.675 52.037 -0.445 0.000 0.627 67 A CB -0.666 17.896 19.000 -0.729 0.000 0.818 67 A HN 0.475 nan 8.150 nan 0.000 0.445 68 D N -0.190 120.073 120.400 -0.228 0.000 2.351 68 D HA -0.056 4.585 4.640 0.001 0.000 0.216 68 D C 1.504 177.650 176.300 -0.257 0.000 0.968 68 D CA 0.714 54.602 54.000 -0.187 0.000 0.899 68 D CB -0.157 40.556 40.800 -0.146 0.000 0.907 68 D HN 0.499 nan 8.370 nan 0.000 0.514 69 L N 0.305 121.265 121.223 -0.437 0.000 2.567 69 L HA 0.171 4.511 4.340 0.001 0.000 0.225 69 L C 0.873 177.492 176.870 -0.419 0.000 1.119 69 L CA -0.216 54.237 54.840 -0.645 0.000 0.871 69 L CB 0.168 41.337 42.059 -1.483 0.000 1.036 69 L HN -0.129 nan 8.230 nan 0.000 0.459 70 I N 1.096 121.538 120.570 -0.213 0.000 2.821 70 I HA -0.120 4.050 4.170 0.001 0.000 0.294 70 I C 0.681 176.776 176.117 -0.038 0.000 1.210 70 I CA 0.706 61.990 61.300 -0.026 0.000 1.430 70 I CB 0.243 38.221 38.000 -0.035 0.000 1.356 70 I HN 0.275 nan 8.210 nan 0.000 0.563 71 S N 5.623 121.323 115.700 -0.000 0.000 2.656 71 S HA 0.469 4.939 4.470 0.001 0.000 0.273 71 S C 0.573 175.110 174.600 -0.105 0.000 1.168 71 S CA -1.158 57.011 58.200 -0.051 0.000 0.817 71 S CB 1.594 64.773 63.200 -0.034 0.000 1.146 71 S HN 0.622 nan 8.310 nan 0.000 0.475 72 R N 0.829 121.207 120.500 -0.205 0.000 2.096 72 R HA -0.047 4.293 4.340 0.001 0.000 0.235 72 R C 0.592 176.759 176.300 -0.222 0.000 1.127 72 R CA 2.039 57.863 56.100 -0.460 0.000 0.968 72 R CB -1.014 28.875 30.300 -0.685 0.000 0.861 72 R HN 0.755 nan 8.270 nan 0.000 0.440 73 D N 0.899 121.254 120.400 -0.075 0.000 2.277 73 D HA 0.043 4.684 4.640 0.001 0.000 0.208 73 D C 0.300 176.623 176.300 0.039 0.000 0.962 73 D CA 0.932 54.939 54.000 0.011 0.000 0.865 73 D CB 0.310 41.114 40.800 0.005 0.000 0.939 73 D HN 0.309 nan 8.370 nan 0.000 0.510 74 A N 0.723 123.578 122.820 0.058 0.000 3.082 74 A HA 0.391 4.711 4.320 0.001 0.000 0.328 74 A C -2.090 175.559 177.584 0.108 0.000 1.089 74 A CA -1.036 51.061 52.037 0.100 0.000 0.802 74 A CB 0.858 19.998 19.000 0.233 0.000 1.138 74 A HN -0.116 nan 8.150 nan 0.000 0.474 75 P HA -0.004 nan 4.420 nan 0.000 0.227 75 P C 0.474 177.800 177.300 0.043 0.000 1.161 75 P CA 0.858 63.986 63.100 0.047 0.000 0.788 75 P CB 0.375 32.119 31.700 0.073 0.000 0.822 76 D N -1.470 118.954 120.400 0.039 0.000 2.309 76 D HA -0.145 4.496 4.640 0.001 0.000 0.212 76 D C 1.518 177.790 176.300 -0.048 0.000 0.968 76 D CA 0.858 54.895 54.000 0.061 0.000 0.882 76 D CB -0.743 40.068 40.800 0.017 0.000 0.918 76 D HN 0.157 nan 8.370 nan 0.000 0.503 77 Y N 1.811 122.096 120.300 -0.026 0.000 2.193 77 Y HA -0.264 4.286 4.550 0.001 0.000 0.285 77 Y C 2.398 178.225 175.900 -0.122 0.000 1.166 77 Y CA 1.291 59.347 58.100 -0.074 0.000 1.181 77 Y CB -0.583 37.824 38.460 -0.089 0.000 0.976 77 Y HN 0.203 nan 8.280 nan 0.000 0.520 78 Q N -1.482 118.289 119.800 -0.047 0.000 2.112 78 Q HA -0.260 4.081 4.340 0.001 0.000 0.206 78 Q C 1.694 177.547 176.000 -0.245 0.000 0.987 78 Q CA 2.127 57.818 55.803 -0.187 0.000 0.858 78 Q CB -0.895 27.616 28.738 -0.378 0.000 0.905 78 Q HN 0.527 nan 8.270 nan 0.000 0.420 79 Y N 0.727 121.070 120.300 0.071 0.000 2.286 79 Y HA -0.098 4.452 4.550 0.001 0.000 0.293 79 Y C 2.155 178.062 175.900 0.012 0.000 1.124 79 Y CA 0.537 58.668 58.100 0.052 0.000 1.178 79 Y CB -0.497 37.968 38.460 0.009 0.000 1.010 79 Y HN 0.089 nan 8.280 nan 0.000 0.536 80 L N 0.425 121.700 121.223 0.087 0.000 2.042 80 L HA -0.183 4.158 4.340 0.001 0.000 0.210 80 L C 2.320 179.211 176.870 0.035 0.000 1.076 80 L CA 2.057 56.905 54.840 0.013 0.000 0.749 80 L CB -1.003 41.049 42.059 -0.013 0.000 0.893 80 L HN 0.141 nan 8.230 nan 0.000 0.432 81 A N -0.506 122.323 122.820 0.015 0.000 1.873 81 A HA -0.051 4.269 4.320 0.001 0.000 0.215 81 A C 2.474 180.145 177.584 0.146 0.000 1.186 81 A CA 1.818 53.805 52.037 -0.083 0.000 0.616 81 A CB -1.285 17.423 19.000 -0.486 0.000 0.823 81 A HN 0.585 nan 8.150 nan 0.000 0.442 82 A N -0.131 122.852 122.820 0.272 0.000 1.873 82 A HA -0.228 4.092 4.320 0.001 0.000 0.218 82 A C 2.251 180.030 177.584 0.325 0.000 1.193 82 A CA 1.915 54.178 52.037 0.376 0.000 0.629 82 A CB -0.538 18.674 19.000 0.353 0.000 0.826 82 A HN 0.537 nan 8.150 nan 0.000 0.447 83 R N -0.716 119.933 120.500 0.249 0.000 2.091 83 R HA -0.063 4.277 4.340 0.001 0.000 0.238 83 R C 2.135 178.646 176.300 0.352 0.000 1.136 83 R CA 1.522 57.759 56.100 0.229 0.000 0.959 83 R CB -0.550 29.697 30.300 -0.088 0.000 0.856 83 R HN 0.547 nan 8.270 nan 0.000 0.437 84 L N -0.048 121.325 121.223 0.251 0.000 2.012 84 L HA -0.234 4.107 4.340 0.001 0.000 0.210 84 L C 2.658 179.750 176.870 0.370 0.000 1.073 84 L CA 1.529 56.541 54.840 0.286 0.000 0.748 84 L CB -0.628 41.519 42.059 0.147 0.000 0.891 84 L HN 0.281 nan 8.230 nan 0.000 0.431 85 A N 0.012 123.037 122.820 0.342 0.000 1.908 85 A HA -0.204 4.116 4.320 0.001 0.000 0.218 85 A C 2.217 180.010 177.584 0.348 0.000 1.181 85 A CA 1.566 53.821 52.037 0.362 0.000 0.627 85 A CB -0.594 18.627 19.000 0.369 0.000 0.818 85 A HN 0.310 nan 8.150 nan 0.000 0.445 86 I N -1.535 119.255 120.570 0.367 0.000 2.179 86 I HA -0.213 3.957 4.170 0.001 0.000 0.242 86 I C 2.351 178.698 176.117 0.383 0.000 1.088 86 I CA 1.477 62.983 61.300 0.344 0.000 1.357 86 I CB -1.329 36.922 38.000 0.418 0.000 1.051 86 I HN 0.483 nan 8.210 nan 0.000 0.409 87 F N 1.731 121.924 119.950 0.404 0.000 2.046 87 F HA -0.322 4.206 4.527 0.001 0.000 0.297 87 F C 2.884 178.805 175.800 0.202 0.000 1.123 87 F CA 2.393 60.625 58.000 0.386 0.000 1.199 87 F CB -0.685 38.517 39.000 0.337 0.000 0.972 87 F HN 0.168 nan 8.300 nan 0.000 0.474 88 H N 0.339 119.566 119.070 0.263 0.000 2.319 88 H HA -0.215 4.341 4.556 0.001 0.000 0.297 88 H C 2.109 177.451 175.328 0.023 0.000 1.097 88 H CA 2.620 58.724 56.048 0.095 0.000 1.285 88 H CB -0.717 29.148 29.762 0.170 0.000 1.368 88 H HN 0.406 nan 8.280 nan 0.000 0.495 89 L N -0.288 120.872 121.223 -0.106 0.000 2.191 89 L HA -0.157 4.183 4.340 0.001 0.000 0.212 89 L C 2.693 179.396 176.870 -0.277 0.000 1.103 89 L CA 0.847 55.554 54.840 -0.221 0.000 0.769 89 L CB -0.233 41.777 42.059 -0.082 0.000 0.908 89 L HN 0.287 nan 8.230 nan 0.000 0.438 90 R N 0.195 120.564 120.500 -0.219 0.000 2.061 90 R HA -0.127 4.213 4.340 0.001 0.000 0.230 90 R C 2.182 178.323 176.300 -0.265 0.000 1.140 90 R CA 1.173 57.118 56.100 -0.259 0.000 0.940 90 R CB -0.570 29.587 30.300 -0.238 0.000 0.839 90 R HN 0.327 nan 8.270 nan 0.000 0.429 91 K N 0.987 121.224 120.400 -0.271 0.000 2.044 91 K HA -0.215 4.105 4.320 0.001 0.000 0.210 91 K C 2.157 178.646 176.600 -0.184 0.000 1.049 91 K CA 1.709 57.879 56.287 -0.194 0.000 0.927 91 K CB -0.154 32.240 32.500 -0.176 0.000 0.713 91 K HN 0.002 nan 8.250 nan 0.000 0.443 92 K N 0.161 120.389 120.400 -0.287 0.000 2.113 92 K HA -0.183 4.138 4.320 0.001 0.000 0.208 92 K C 1.766 178.211 176.600 -0.257 0.000 1.047 92 K CA 1.645 57.761 56.287 -0.286 0.000 0.928 92 K CB -0.046 32.202 32.500 -0.419 0.000 0.716 92 K HN 0.202 nan 8.250 nan 0.000 0.446 93 A N -1.226 121.368 122.820 -0.377 0.000 2.044 93 A HA 0.065 4.385 4.320 0.001 0.000 0.213 93 A C 1.069 178.471 177.584 -0.304 0.000 1.169 93 A CA 0.509 52.285 52.037 -0.436 0.000 0.724 93 A CB -0.048 18.500 19.000 -0.753 0.000 0.840 93 A HN 0.358 nan 8.150 nan 0.000 0.463 94 Y N -1.963 118.306 120.300 -0.052 0.000 2.430 94 Y HA 0.396 4.947 4.550 0.001 0.000 0.254 94 Y C 1.904 177.779 175.900 -0.041 0.000 1.088 94 Y CA -0.278 57.799 58.100 -0.038 0.000 1.267 94 Y CB 0.170 38.580 38.460 -0.085 0.000 1.204 94 Y HN 0.392 nan 8.280 nan 0.000 0.515 95 G N 0.323 109.164 108.800 0.068 0.000 2.241 95 G HA2 -0.236 3.724 3.960 0.001 0.000 0.244 95 G HA3 -0.236 3.724 3.960 0.001 0.000 0.244 95 G C 0.219 175.132 174.900 0.022 0.000 0.998 95 G CA 0.510 45.631 45.100 0.035 0.000 0.621 95 G HN 0.445 nan 8.290 nan 0.000 0.519 96 Q N -1.744 118.076 119.800 0.033 0.000 2.991 96 Q HA 0.776 5.116 4.340 0.001 0.000 0.322 96 Q C 0.686 176.682 176.000 -0.007 0.000 0.978 96 Q CA -0.745 55.065 55.803 0.011 0.000 0.787 96 Q CB 0.550 29.300 28.738 0.020 0.000 1.492 96 Q HN 0.387 nan 8.270 nan 0.000 0.498 97 F N 0.258 120.098 119.950 -0.183 0.000 2.446 97 F HA 0.233 4.761 4.527 0.001 0.000 0.292 97 F C 0.399 176.117 175.800 -0.136 0.000 1.096 97 F CA 0.282 58.139 58.000 -0.238 0.000 1.438 97 F CB 0.745 39.570 39.000 -0.292 0.000 1.107 97 F HN 0.374 nan 8.300 nan 0.000 0.546 98 E N 3.667 123.800 120.200 -0.111 0.000 2.166 98 E HA 0.159 4.509 4.350 0.001 0.000 0.279 98 E C -2.321 174.044 176.600 -0.392 0.000 1.095 98 E CA -2.283 53.980 56.400 -0.229 0.000 0.888 98 E CB 0.315 29.983 29.700 -0.054 0.000 1.041 98 E HN 0.116 nan 8.360 nan 0.000 0.414 99 P HA 0.056 nan 4.420 nan 0.000 0.265 99 P C -2.287 174.697 177.300 -0.527 0.000 1.193 99 P CA -0.914 61.580 63.100 -1.010 0.000 0.765 99 P CB -0.234 30.622 31.700 -1.407 0.000 0.823 100 P HA -0.000 nan 4.420 nan 0.000 0.270 100 P C -0.357 176.951 177.300 0.014 0.000 1.221 100 P CA -0.035 62.966 63.100 -0.165 0.000 0.788 100 P CB 0.289 31.930 31.700 -0.100 0.000 0.904 101 A N 1.165 124.001 122.820 0.027 0.000 2.462 101 A HA 0.055 4.375 4.320 0.001 0.000 0.243 101 A C 1.411 179.014 177.584 0.032 0.000 1.076 101 A CA -0.407 51.673 52.037 0.071 0.000 0.773 101 A CB -0.497 18.541 19.000 0.062 0.000 1.010 101 A HN 0.630 nan 8.150 nan 0.000 0.493 102 L N 2.549 123.792 121.223 0.033 0.000 1.997 102 L HA -0.232 4.109 4.340 0.001 0.000 0.216 102 L C 2.018 178.772 176.870 -0.194 0.000 1.074 102 L CA 2.761 57.505 54.840 -0.160 0.000 0.763 102 L CB -1.317 40.738 42.059 -0.007 0.000 0.890 102 L HN 0.873 nan 8.230 nan 0.000 0.434 103 Y N 0.704 120.885 120.300 -0.198 0.000 2.097 103 Y HA -0.301 4.249 4.550 0.001 0.000 0.282 103 Y C 2.411 178.144 175.900 -0.279 0.000 1.152 103 Y CA 2.256 60.160 58.100 -0.328 0.000 1.136 103 Y CB -0.542 37.843 38.460 -0.125 0.000 0.975 103 Y HN 0.381 nan 8.280 nan 0.000 0.498 104 D N -1.174 119.145 120.400 -0.135 0.000 2.116 104 D HA -0.269 4.371 4.640 0.001 0.000 0.193 104 D C 2.017 178.184 176.300 -0.221 0.000 0.998 104 D CA 2.110 56.010 54.000 -0.166 0.000 0.836 104 D CB -0.674 40.111 40.800 -0.024 0.000 0.951 104 D HN 0.558 nan 8.370 nan 0.000 0.449 105 H N 0.901 119.801 119.070 -0.284 0.000 2.293 105 H HA -0.079 4.477 4.556 0.001 0.000 0.300 105 H C 2.085 177.246 175.328 -0.277 0.000 1.082 105 H CA 1.692 57.581 56.048 -0.266 0.000 1.308 105 H CB -0.375 29.134 29.762 -0.421 0.000 1.375 105 H HN -0.107 nan 8.280 nan 0.000 0.495 106 V N -0.063 119.573 119.914 -0.464 0.000 2.287 106 V HA -0.276 3.845 4.120 0.001 0.000 0.248 106 V C 2.688 178.510 176.094 -0.454 0.000 1.053 106 V CA 1.631 63.675 62.300 -0.426 0.000 1.027 106 V CB -0.755 30.660 31.823 -0.680 0.000 0.646 106 V HN 0.353 nan 8.190 nan 0.000 0.447 107 V N 0.041 119.592 119.914 -0.605 0.000 2.252 107 V HA -0.375 3.746 4.120 0.001 0.000 0.249 107 V C 2.440 178.336 176.094 -0.331 0.000 1.056 107 V CA 2.671 64.677 62.300 -0.489 0.000 1.022 107 V CB -0.740 30.748 31.823 -0.558 0.000 0.641 107 V HN 0.597 nan 8.190 nan 0.000 0.445 108 K N -0.632 119.576 120.400 -0.320 0.000 2.044 108 K HA -0.228 4.092 4.320 0.001 0.000 0.210 108 K C 2.183 178.582 176.600 -0.336 0.000 1.049 108 K CA 1.880 58.008 56.287 -0.266 0.000 0.927 108 K CB -0.189 32.186 32.500 -0.207 0.000 0.713 108 K HN 0.237 nan 8.250 nan 0.000 0.443 109 M N 0.499 119.810 119.600 -0.481 0.000 2.213 109 M HA -0.117 4.363 4.480 0.001 0.000 0.263 109 M C 2.175 178.248 176.300 -0.378 0.000 1.062 109 M CA 1.107 56.038 55.300 -0.614 0.000 1.105 109 M CB -0.564 31.311 32.600 -1.209 0.000 1.385 109 M HN 0.055 nan 8.290 nan 0.000 0.417 110 V N 0.470 120.245 119.914 -0.231 0.000 2.427 110 V HA -0.218 3.902 4.120 0.001 0.000 0.248 110 V C 2.132 178.150 176.094 -0.126 0.000 1.051 110 V CA 1.569 63.800 62.300 -0.115 0.000 1.048 110 V CB -0.919 30.864 31.823 -0.066 0.000 0.666 110 V HN 0.487 nan 8.190 nan 0.000 0.456 111 E N 0.166 120.273 120.200 -0.155 0.000 2.150 111 E HA -0.163 4.187 4.350 0.001 0.000 0.193 111 E C 2.033 178.549 176.600 -0.140 0.000 0.985 111 E CA 1.222 57.545 56.400 -0.127 0.000 0.814 111 E CB -0.245 29.381 29.700 -0.124 0.000 0.752 111 E HN 0.530 nan 8.360 nan 0.000 0.466 112 M N -0.278 119.201 119.600 -0.202 0.000 2.618 112 M HA 0.090 4.571 4.480 0.001 0.000 0.240 112 M C 1.124 177.300 176.300 -0.207 0.000 1.123 112 M CA 0.708 55.869 55.300 -0.232 0.000 1.060 112 M CB 0.404 32.785 32.600 -0.364 0.000 1.535 112 M HN 0.319 nan 8.290 nan 0.000 0.507 113 G N 0.842 109.545 108.800 -0.161 0.000 2.153 113 G HA2 -0.246 3.714 3.960 0.001 0.000 0.252 113 G HA3 -0.246 3.714 3.960 0.001 0.000 0.252 113 G C 0.941 175.777 174.900 -0.107 0.000 0.994 113 G CA 0.318 45.354 45.100 -0.107 0.000 0.698 113 G HN 0.370 nan 8.290 nan 0.000 0.521 114 K N -1.240 119.046 120.400 -0.191 0.000 2.284 114 K HA 0.197 4.517 4.320 0.001 0.000 0.198 114 K C 0.308 176.896 176.600 -0.020 0.000 1.048 114 K CA 0.596 56.773 56.287 -0.183 0.000 0.987 114 K CB 0.390 32.641 32.500 -0.416 0.000 0.800 114 K HN 0.428 nan 8.250 nan 0.000 0.486 115 Y N 1.121 121.373 120.300 -0.079 0.000 2.509 115 Y HA 0.206 4.756 4.550 0.001 0.000 0.341 115 Y C 0.346 176.237 175.900 -0.015 0.000 1.038 115 Y CA -2.525 55.553 58.100 -0.036 0.000 1.089 115 Y CB 0.723 39.138 38.460 -0.075 0.000 1.241 115 Y HN -0.060 nan 8.280 nan 0.000 0.468 116 D N 1.198 121.714 120.400 0.193 0.000 2.488 116 D HA -0.077 4.563 4.640 0.001 0.000 0.238 116 D C 0.680 177.062 176.300 0.136 0.000 1.138 116 D CA 0.341 54.407 54.000 0.111 0.000 0.873 116 D CB 0.691 41.550 40.800 0.099 0.000 1.183 116 D HN 0.808 nan 8.370 nan 0.000 0.458 117 N N 2.480 121.252 118.700 0.120 0.000 2.331 117 N HA -0.158 4.582 4.740 0.001 0.000 0.180 117 N C 1.394 177.061 175.510 0.261 0.000 1.019 117 N CA 0.893 54.038 53.050 0.158 0.000 0.881 117 N CB -0.313 38.252 38.487 0.130 0.000 0.972 117 N HN 0.543 nan 8.380 nan 0.000 0.435 118 H N 0.011 119.143 119.070 0.103 0.000 2.518 118 H HA -0.012 4.544 4.556 0.001 0.000 0.292 118 H C 1.705 177.145 175.328 0.186 0.000 1.068 118 H CA 0.603 56.724 56.048 0.122 0.000 1.275 118 H CB 0.079 29.909 29.762 0.114 0.000 1.375 118 H HN 0.248 nan 8.280 nan 0.000 0.563 119 L N 0.304 121.732 121.223 0.342 0.000 2.046 119 L HA -0.218 4.122 4.340 0.001 0.000 0.208 119 L C 2.221 179.418 176.870 0.545 0.000 1.077 119 L CA 0.999 56.087 54.840 0.414 0.000 0.747 119 L CB -0.140 42.104 42.059 0.308 0.000 0.896 119 L HN 0.281 nan 8.230 nan 0.000 0.432 120 L N -1.182 120.271 121.223 0.384 0.000 2.179 120 L HA -0.128 4.212 4.340 0.001 0.000 0.208 120 L C 2.405 179.450 176.870 0.291 0.000 1.096 120 L CA 0.785 55.863 54.840 0.396 0.000 0.779 120 L CB -0.310 41.864 42.059 0.192 0.000 0.922 120 L HN 0.229 nan 8.230 nan 0.000 0.443 121 E N 0.218 120.529 120.200 0.185 0.000 2.031 121 E HA -0.216 4.134 4.350 0.001 0.000 0.193 121 E C 1.574 178.200 176.600 0.043 0.000 0.994 121 E CA 1.421 57.865 56.400 0.074 0.000 0.800 121 E CB -0.016 29.663 29.700 -0.034 0.000 0.752 121 E HN 0.427 nan 8.360 nan 0.000 0.447 122 D N -0.838 119.591 120.400 0.048 0.000 2.264 122 D HA -0.060 4.580 4.640 0.001 0.000 0.208 122 D C -0.173 175.920 176.300 -0.345 0.000 0.966 122 D CA 1.103 55.026 54.000 -0.128 0.000 0.864 122 D CB 0.090 40.821 40.800 -0.115 0.000 0.933 122 D HN 0.136 nan 8.370 nan 0.000 0.499 123 Y N -0.502 119.782 120.300 -0.026 0.000 2.462 123 Y HA 0.272 4.823 4.550 0.001 0.000 0.346 123 Y C 0.692 176.554 175.900 -0.063 0.000 0.976 123 Y CA -1.184 56.784 58.100 -0.220 0.000 1.044 123 Y CB 1.686 39.672 38.460 -0.789 0.000 1.230 123 Y HN -0.317 nan 8.280 nan 0.000 0.455 124 T N -2.187 112.406 114.554 0.064 0.000 2.899 124 T HA 0.162 4.512 4.350 0.001 0.000 0.284 124 T C 1.087 175.898 174.700 0.184 0.000 1.004 124 T CA -0.492 61.679 62.100 0.117 0.000 1.043 124 T CB 1.469 70.354 68.868 0.029 0.000 1.013 124 T HN 0.892 nan 8.240 nan 0.000 0.518 125 E N 0.373 120.630 120.200 0.096 0.000 2.114 125 E HA -0.296 4.054 4.350 0.001 0.000 0.199 125 E C 1.756 178.291 176.600 -0.108 0.000 1.008 125 E CA 1.691 57.950 56.400 -0.236 0.000 0.810 125 E CB -0.139 29.096 29.700 -0.775 0.000 0.739 125 E HN 0.779 nan 8.360 nan 0.000 0.456 126 E N 0.722 120.873 120.200 -0.081 0.000 2.110 126 E HA -0.187 4.164 4.350 0.001 0.000 0.193 126 E C 1.750 178.321 176.600 -0.048 0.000 0.988 126 E CA 1.436 57.799 56.400 -0.063 0.000 0.804 126 E CB -0.029 29.639 29.700 -0.052 0.000 0.745 126 E HN 0.398 nan 8.360 nan 0.000 0.458 127 E N -1.294 118.881 120.200 -0.042 0.000 2.106 127 E HA -0.138 4.212 4.350 0.001 0.000 0.192 127 E C 1.735 178.225 176.600 -0.183 0.000 0.984 127 E CA 0.794 57.141 56.400 -0.089 0.000 0.806 127 E CB -0.158 29.524 29.700 -0.030 0.000 0.750 127 E HN 0.282 nan 8.360 nan 0.000 0.458 128 F N 1.471 121.415 119.950 -0.010 0.000 2.186 128 F HA -0.118 4.409 4.527 0.001 0.000 0.299 128 F C 2.223 177.966 175.800 -0.096 0.000 1.090 128 F CA 0.992 58.968 58.000 -0.040 0.000 1.307 128 F CB -0.166 38.918 39.000 0.140 0.000 1.019 128 F HN -0.147 nan 8.300 nan 0.000 0.489 129 K N -0.038 120.407 120.400 0.075 0.000 2.074 129 K HA -0.270 4.050 4.320 0.001 0.000 0.209 129 K C 2.128 178.658 176.600 -0.117 0.000 1.048 129 K CA 1.705 57.981 56.287 -0.019 0.000 0.926 129 K CB -0.421 32.050 32.500 -0.048 0.000 0.713 129 K HN 0.390 nan 8.250 nan 0.000 0.444 130 Q N 0.208 119.893 119.800 -0.192 0.000 2.083 130 Q HA -0.049 4.291 4.340 0.001 0.000 0.198 130 Q C 2.181 177.709 176.000 -0.787 0.000 0.969 130 Q CA 1.029 56.616 55.803 -0.359 0.000 0.838 130 Q CB 0.126 28.699 28.738 -0.274 0.000 0.900 130 Q HN 0.308 nan 8.270 nan 0.000 0.436 131 M N 0.251 119.425 119.600 -0.710 0.000 2.117 131 M HA -0.183 4.297 4.480 0.001 0.000 0.262 131 M C 1.708 177.674 176.300 -0.556 0.000 1.065 131 M CA 1.215 55.996 55.300 -0.865 0.000 1.114 131 M CB -0.483 31.897 32.600 -0.366 0.000 1.361 131 M HN 0.132 nan 8.290 nan 0.000 0.408 132 D N 0.697 120.936 120.400 -0.268 0.000 2.172 132 D HA -0.167 4.474 4.640 0.001 0.000 0.196 132 D C 1.990 178.206 176.300 -0.139 0.000 0.999 132 D CA 2.101 56.035 54.000 -0.110 0.000 0.856 132 D CB -0.106 40.690 40.800 -0.007 0.000 0.934 132 D HN 0.455 nan 8.370 nan 0.000 0.453 133 T N -2.342 112.083 114.554 -0.217 0.000 3.007 133 T HA -0.110 4.240 4.350 0.001 0.000 0.270 133 T C 1.834 176.536 174.700 0.003 0.000 1.107 133 T CA 0.583 62.615 62.100 -0.112 0.000 1.118 133 T CB -0.482 68.320 68.868 -0.110 0.000 0.889 133 T HN -0.033 nan 8.240 nan 0.000 0.506 134 F N 1.503 121.383 119.950 -0.117 0.000 2.219 134 F HA 0.448 4.975 4.527 0.001 0.000 0.294 134 F C 1.414 177.087 175.800 -0.213 0.000 1.086 134 F CA -1.726 56.184 58.000 -0.150 0.000 1.330 134 F CB -0.969 37.900 39.000 -0.219 0.000 1.047 134 F HN 0.163 nan 8.300 nan 0.000 0.495 135 I N 1.780 122.237 120.570 -0.189 0.000 2.880 135 I HA -0.135 4.036 4.170 0.001 0.000 0.296 135 I C 0.010 176.065 176.117 -0.104 0.000 1.220 135 I CA 0.730 61.849 61.300 -0.302 0.000 1.435 135 I CB 0.082 37.882 38.000 -0.333 0.000 1.339 135 I HN 0.015 nan 8.210 nan 0.000 0.583 136 D N 5.423 125.817 120.400 -0.010 0.000 2.389 136 D HA 0.171 4.811 4.640 0.001 0.000 0.256 136 D C 0.774 177.052 176.300 -0.037 0.000 1.239 136 D CA -0.394 53.606 54.000 -0.000 0.000 0.925 136 D CB 0.572 41.414 40.800 0.070 0.000 1.145 136 D HN 0.393 nan 8.370 nan 0.000 0.542 137 H N 1.823 120.931 119.070 0.063 0.000 2.491 137 H HA -0.061 4.496 4.556 0.001 0.000 0.290 137 H C 0.551 175.931 175.328 0.086 0.000 1.050 137 H CA 0.774 56.837 56.048 0.024 0.000 1.309 137 H CB 0.437 30.139 29.762 -0.099 0.000 1.392 137 H HN 0.465 nan 8.280 nan 0.000 0.554 138 D N 0.839 121.366 120.400 0.211 0.000 2.228 138 D HA -0.130 4.511 4.640 0.001 0.000 0.203 138 D C 2.104 178.488 176.300 0.140 0.000 0.988 138 D CA 0.554 54.677 54.000 0.206 0.000 0.864 138 D CB -0.101 40.801 40.800 0.170 0.000 0.928 138 D HN 0.391 nan 8.370 nan 0.000 0.469 139 R N 0.655 121.198 120.500 0.071 0.000 2.200 139 R HA -0.113 4.227 4.340 0.001 0.000 0.234 139 R C 1.179 177.477 176.300 -0.002 0.000 1.127 139 R CA 0.762 56.842 56.100 -0.034 0.000 0.989 139 R CB -0.303 29.913 30.300 -0.139 0.000 0.869 139 R HN 0.217 nan 8.270 nan 0.000 0.459 140 D N 0.981 121.496 120.400 0.191 0.000 2.182 140 D HA -0.146 4.495 4.640 0.001 0.000 0.201 140 D C 1.460 177.992 176.300 0.387 0.000 0.986 140 D CA 1.166 55.400 54.000 0.391 0.000 0.847 140 D CB -0.058 40.975 40.800 0.389 0.000 0.942 140 D HN 0.052 nan 8.370 nan 0.000 0.467 141 M N -0.106 119.653 119.600 0.266 0.000 2.700 141 M HA -0.052 4.429 4.480 0.001 0.000 0.249 141 M C 1.681 178.052 176.300 0.117 0.000 1.082 141 M CA 0.808 56.233 55.300 0.207 0.000 1.077 141 M CB -0.305 32.378 32.600 0.138 0.000 1.477 141 M HN 0.043 nan 8.290 nan 0.000 0.529 142 T N -3.357 111.227 114.554 0.049 0.000 3.065 142 T HA 0.157 4.508 4.350 0.001 0.000 0.252 142 T C 0.459 175.265 174.700 0.177 0.000 1.099 142 T CA -0.306 61.799 62.100 0.008 0.000 1.063 142 T CB -0.339 68.514 68.868 -0.024 0.000 0.948 142 T HN 0.003 nan 8.240 nan 0.000 0.506 143 F N 3.932 124.105 119.950 0.372 0.000 2.506 143 F HA 0.412 4.939 4.527 0.001 0.000 0.351 143 F C 1.354 177.368 175.800 0.357 0.000 1.136 143 F CA -0.821 57.365 58.000 0.311 0.000 1.298 143 F CB 0.523 39.667 39.000 0.240 0.000 1.145 143 F HN 0.183 nan 8.300 nan 0.000 0.593 144 S N 2.525 118.467 115.700 0.404 0.000 2.646 144 S HA 0.189 4.659 4.470 0.001 0.000 0.276 144 S C 0.802 175.454 174.600 0.088 0.000 1.222 144 S CA -0.702 57.536 58.200 0.063 0.000 1.014 144 S CB 0.645 63.770 63.200 -0.125 0.000 0.991 144 S HN 0.631 nan 8.310 nan 0.000 0.533 145 Y N 2.332 122.580 120.300 -0.086 0.000 2.062 145 Y HA -0.289 4.262 4.550 0.001 0.000 0.276 145 Y C 2.568 178.446 175.900 -0.037 0.000 1.189 145 Y CA 2.311 60.392 58.100 -0.032 0.000 1.130 145 Y CB -1.187 37.245 38.460 -0.046 0.000 0.959 145 Y HN 0.882 nan 8.280 nan 0.000 0.499 146 A N 0.076 122.800 122.820 -0.160 0.000 1.908 146 A HA -0.128 4.192 4.320 0.001 0.000 0.218 146 A C 2.497 179.942 177.584 -0.232 0.000 1.181 146 A CA 2.225 54.123 52.037 -0.232 0.000 0.627 146 A CB -1.559 17.375 19.000 -0.110 0.000 0.818 146 A HN 0.636 nan 8.150 nan 0.000 0.445 147 A N -0.436 122.296 122.820 -0.146 0.000 1.883 147 A HA -0.069 4.251 4.320 0.001 0.000 0.217 147 A C 2.236 179.639 177.584 -0.301 0.000 1.186 147 A CA 2.036 53.975 52.037 -0.164 0.000 0.624 147 A CB -1.101 17.916 19.000 0.028 0.000 0.822 147 A HN 0.490 nan 8.150 nan 0.000 0.444 148 V N -0.087 119.676 119.914 -0.252 0.000 2.343 148 V HA -0.259 3.862 4.120 0.001 0.000 0.247 148 V C 2.504 178.416 176.094 -0.304 0.000 1.051 148 V CA 2.390 64.514 62.300 -0.294 0.000 1.036 148 V CB -0.739 31.021 31.823 -0.105 0.000 0.654 148 V HN 0.457 nan 8.190 nan 0.000 0.451 149 K N -0.038 120.130 120.400 -0.387 0.000 2.074 149 K HA -0.189 4.131 4.320 0.001 0.000 0.209 149 K C 2.308 178.762 176.600 -0.243 0.000 1.048 149 K CA 1.497 57.579 56.287 -0.342 0.000 0.926 149 K CB -0.391 31.844 32.500 -0.443 0.000 0.713 149 K HN 0.434 nan 8.250 nan 0.000 0.444 150 Q N 0.019 119.657 119.800 -0.270 0.000 2.016 150 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 150 Q C 2.289 178.098 176.000 -0.318 0.000 0.978 150 Q CA 1.389 57.028 55.803 -0.274 0.000 0.833 150 Q CB -0.432 28.100 28.738 -0.343 0.000 0.895 150 Q HN 0.311 nan 8.270 nan 0.000 0.427 151 L N 0.871 121.844 121.223 -0.415 0.000 2.013 151 L HA -0.240 4.100 4.340 0.001 0.000 0.212 151 L C 2.572 179.361 176.870 -0.134 0.000 1.073 151 L CA 1.825 56.472 54.840 -0.321 0.000 0.753 151 L CB -0.664 41.165 42.059 -0.384 0.000 0.890 151 L HN 0.309 nan 8.230 nan 0.000 0.432 152 E N 0.315 120.422 120.200 -0.154 0.000 2.077 152 E HA -0.186 4.165 4.350 0.001 0.000 0.193 152 E C 2.206 178.771 176.600 -0.057 0.000 0.989 152 E CA 1.241 57.586 56.400 -0.092 0.000 0.800 152 E CB -0.155 29.492 29.700 -0.088 0.000 0.746 152 E HN 0.482 nan 8.360 nan 0.000 0.452 153 G N 1.110 109.869 108.800 -0.068 0.000 2.394 153 G HA2 -0.224 3.736 3.960 0.001 0.000 0.215 153 G HA3 -0.224 3.736 3.960 0.001 0.000 0.215 153 G C 1.288 176.197 174.900 0.014 0.000 1.165 153 G CA 1.073 46.154 45.100 -0.032 0.000 0.784 153 G HN 0.358 nan 8.290 nan 0.000 0.535 154 K N -2.362 118.070 120.400 0.053 0.000 2.665 154 K HA 0.443 4.763 4.320 0.001 0.000 0.194 154 K C 0.079 176.874 176.600 0.325 0.000 1.135 154 K CA -0.385 55.992 56.287 0.150 0.000 1.089 154 K CB 0.256 32.845 32.500 0.149 0.000 0.817 154 K HN 0.177 nan 8.250 nan 0.000 0.506 155 Y N 0.841 121.134 120.300 -0.010 0.000 2.846 155 Y HA 0.372 4.922 4.550 0.001 0.000 0.258 155 Y C 0.446 176.358 175.900 0.021 0.000 1.077 155 Y CA -0.785 57.317 58.100 0.004 0.000 1.270 155 Y CB 0.457 38.899 38.460 -0.030 0.000 1.476 155 Y HN -0.101 nan 8.280 nan 0.000 0.460 156 L N 1.331 122.657 121.223 0.172 0.000 2.485 156 L HA 0.073 4.414 4.340 0.001 0.000 0.275 156 L C 0.040 176.983 176.870 0.121 0.000 1.207 156 L CA -0.264 54.648 54.840 0.120 0.000 0.855 156 L CB 0.217 42.304 42.059 0.046 0.000 1.114 156 L HN -0.229 nan 8.230 nan 0.000 0.485 157 V N 3.870 123.892 119.914 0.179 0.000 2.493 157 V HA 0.028 4.148 4.120 0.001 0.000 0.292 157 V C 0.373 176.559 176.094 0.154 0.000 1.016 157 V CA 0.244 62.665 62.300 0.201 0.000 1.097 157 V CB 0.369 32.356 31.823 0.273 0.000 0.947 157 V HN 0.925 nan 8.190 nan 0.000 0.479 158 Q N 3.979 123.833 119.800 0.089 0.000 2.626 158 Q HA 0.478 4.818 4.340 0.001 0.000 0.300 158 Q C -0.826 175.147 176.000 -0.046 0.000 0.988 158 Q CA -1.023 54.692 55.803 -0.147 0.000 0.761 158 Q CB 1.731 30.382 28.738 -0.146 0.000 1.494 158 Q HN 0.510 nan 8.270 nan 0.000 0.439 159 N N 0.339 118.924 118.700 -0.192 0.000 2.437 159 N HA 0.210 4.951 4.740 0.001 0.000 0.259 159 N C -0.185 175.304 175.510 -0.034 0.000 0.983 159 N CA -0.082 52.968 53.050 -0.000 0.000 0.937 159 N CB 1.019 39.537 38.487 0.051 0.000 1.122 159 N HN 0.623 nan 8.380 nan 0.000 0.499 160 R N 1.993 122.494 120.500 0.002 0.000 2.276 160 R HA 0.017 4.358 4.340 0.001 0.000 0.203 160 R C 1.484 177.782 176.300 -0.004 0.000 1.017 160 R CA 0.632 56.729 56.100 -0.005 0.000 1.010 160 R CB 0.346 30.650 30.300 0.008 0.000 0.900 160 R HN 0.434 nan 8.270 nan 0.000 0.469 161 V N -0.190 119.725 119.914 0.002 0.000 2.249 161 V HA -0.197 3.923 4.120 0.001 0.000 0.239 161 V C 2.529 178.620 176.094 -0.004 0.000 1.038 161 V CA 2.194 64.496 62.300 0.003 0.000 1.005 161 V CB -1.149 30.680 31.823 0.010 0.000 0.646 161 V HN 0.400 nan 8.190 nan 0.000 0.455 162 T N -1.401 113.150 114.554 -0.006 0.000 2.788 162 T HA 0.055 4.405 4.350 0.001 0.000 0.268 162 T C 1.729 176.407 174.700 -0.037 0.000 1.044 162 T CA 2.170 64.261 62.100 -0.016 0.000 1.139 162 T CB -0.245 68.617 68.868 -0.010 0.000 0.867 162 T HN 1.398 nan 8.240 nan 0.000 0.454 163 G N 0.898 109.661 108.800 -0.061 0.000 2.213 163 G HA2 -0.219 3.742 3.960 0.001 0.000 0.236 163 G HA3 -0.219 3.742 3.960 0.001 0.000 0.236 163 G C -0.146 174.666 174.900 -0.146 0.000 0.991 163 G CA 0.036 45.090 45.100 -0.076 0.000 0.629 163 G HN 0.691 nan 8.290 nan 0.000 0.517 164 E N 0.169 120.245 120.200 -0.208 0.000 2.558 164 E HA 0.283 4.633 4.350 0.001 0.000 0.255 164 E C -0.081 176.167 176.600 -0.586 0.000 0.968 164 E CA 0.201 56.386 56.400 -0.358 0.000 0.939 164 E CB 0.711 30.171 29.700 -0.401 0.000 0.921 164 E HN 0.337 nan 8.360 nan 0.000 0.477 165 I N 3.496 123.781 120.570 -0.475 0.000 2.336 165 I HA 0.024 4.194 4.170 0.001 0.000 0.292 165 I C -0.060 175.796 176.117 -0.435 0.000 0.991 165 I CA -0.021 61.026 61.300 -0.422 0.000 1.227 165 I CB 0.690 38.540 38.000 -0.250 0.000 1.366 165 I HN 0.526 nan 8.210 nan 0.000 0.466 166 Y N 3.985 124.247 120.300 -0.063 0.000 2.458 166 Y HA 0.214 4.764 4.550 0.001 0.000 0.254 166 Y C 0.876 176.813 175.900 0.061 0.000 1.120 166 Y CA -0.312 57.765 58.100 -0.039 0.000 1.282 166 Y CB -0.020 38.409 38.460 -0.052 0.000 1.109 166 Y HN 0.562 nan 8.280 nan 0.000 0.526 167 E N -0.696 119.605 120.200 0.168 0.000 2.459 167 E HA 0.577 4.927 4.350 0.001 0.000 0.275 167 E C -0.994 175.641 176.600 0.060 0.000 0.987 167 E CA -1.014 55.553 56.400 0.278 0.000 0.828 167 E CB 1.970 31.986 29.700 0.528 0.000 1.428 167 E HN -0.101 nan 8.360 nan 0.000 0.457 168 S N -0.536 115.245 115.700 0.136 0.000 2.566 168 S HA 0.591 5.061 4.470 0.001 0.000 0.298 168 S C 0.919 175.569 174.600 0.084 0.000 1.083 168 S CA -0.087 58.123 58.200 0.017 0.000 0.978 168 S CB 1.488 64.656 63.200 -0.053 0.000 1.073 168 S HN 0.843 nan 8.310 nan 0.000 0.491 169 A N 2.287 125.159 122.820 0.086 0.000 1.940 169 A HA -0.186 4.134 4.320 0.001 0.000 0.221 169 A C 2.119 179.805 177.584 0.170 0.000 1.190 169 A CA 1.998 54.090 52.037 0.092 0.000 0.647 169 A CB -1.040 18.117 19.000 0.262 0.000 0.821 169 A HN 0.817 nan 8.150 nan 0.000 0.457 170 Q N -1.309 118.663 119.800 0.288 0.000 2.170 170 Q HA -0.089 4.252 4.340 0.001 0.000 0.203 170 Q C 1.788 178.051 176.000 0.438 0.000 0.976 170 Q CA 1.074 57.116 55.803 0.398 0.000 0.858 170 Q CB -0.580 28.268 28.738 0.184 0.000 0.907 170 Q HN 0.718 nan 8.270 nan 0.000 0.433 171 F N 0.420 120.544 119.950 0.289 0.000 2.206 171 F HA -0.066 4.461 4.527 0.001 0.000 0.298 171 F C 2.185 178.119 175.800 0.224 0.000 1.090 171 F CA 0.047 58.191 58.000 0.240 0.000 1.323 171 F CB -1.132 37.999 39.000 0.219 0.000 1.028 171 F HN 0.070 nan 8.300 nan 0.000 0.492 172 L N -0.871 120.567 121.223 0.357 0.000 1.955 172 L HA -0.307 4.033 4.340 0.001 0.000 0.213 172 L C 2.498 179.509 176.870 0.235 0.000 1.072 172 L CA 1.779 56.732 54.840 0.187 0.000 0.755 172 L CB -0.829 41.228 42.059 -0.004 0.000 0.888 172 L HN -0.006 nan 8.230 nan 0.000 0.432 173 Y N -0.256 120.253 120.300 0.348 0.000 2.081 173 Y HA -0.327 4.223 4.550 0.001 0.000 0.280 173 Y C 2.430 178.597 175.900 0.446 0.000 1.163 173 Y CA 1.858 60.178 58.100 0.368 0.000 1.135 173 Y CB -0.946 37.711 38.460 0.328 0.000 0.970 173 Y HN 0.264 nan 8.280 nan 0.000 0.498 174 I N -0.166 120.793 120.570 0.649 0.000 2.208 174 I HA -0.282 3.889 4.170 0.001 0.000 0.245 174 I C 2.040 178.287 176.117 0.216 0.000 1.097 174 I CA 1.528 63.039 61.300 0.351 0.000 1.363 174 I CB -0.563 37.489 38.000 0.086 0.000 1.051 174 I HN 0.156 nan 8.210 nan 0.000 0.413 175 L N -1.390 119.939 121.223 0.177 0.000 2.179 175 L HA -0.106 4.234 4.340 0.001 0.000 0.208 175 L C 2.425 179.314 176.870 0.032 0.000 1.096 175 L CA 0.446 55.304 54.840 0.030 0.000 0.779 175 L CB -0.662 41.330 42.059 -0.112 0.000 0.922 175 L HN 0.055 nan 8.230 nan 0.000 0.443 176 V N 0.474 120.457 119.914 0.116 0.000 2.287 176 V HA -0.314 3.807 4.120 0.001 0.000 0.248 176 V C 2.845 178.963 176.094 0.040 0.000 1.053 176 V CA 1.858 64.200 62.300 0.069 0.000 1.027 176 V CB -1.038 30.895 31.823 0.183 0.000 0.646 176 V HN 0.473 nan 8.190 nan 0.000 0.447 177 A N 0.421 123.368 122.820 0.212 0.000 1.849 177 A HA -0.239 4.081 4.320 0.001 0.000 0.217 177 A C 2.499 180.146 177.584 0.105 0.000 1.202 177 A CA 2.823 54.977 52.037 0.196 0.000 0.629 177 A CB -1.244 17.975 19.000 0.365 0.000 0.834 177 A HN 0.628 nan 8.150 nan 0.000 0.447 178 A N -1.049 121.799 122.820 0.047 0.000 1.903 178 A HA -0.262 4.058 4.320 0.001 0.000 0.219 178 A C 2.375 180.012 177.584 0.088 0.000 1.191 178 A CA 2.075 54.100 52.037 -0.020 0.000 0.638 178 A CB -1.501 17.296 19.000 -0.339 0.000 0.823 178 A HN 0.685 nan 8.150 nan 0.000 0.451 179 C N -0.778 118.502 119.300 -0.033 0.000 2.436 179 C HA -0.068 4.393 4.460 0.001 0.000 0.277 179 C C 2.605 177.382 174.990 -0.355 0.000 1.241 179 C CA 1.015 59.949 59.018 -0.142 0.000 1.721 179 C CB -1.521 26.044 27.740 -0.292 0.000 2.043 179 C HN 0.626 nan 8.230 nan 0.000 0.472 180 L N -0.987 119.962 121.223 -0.456 0.000 2.191 180 L HA -0.096 4.245 4.340 0.001 0.000 0.212 180 L C 1.403 177.834 176.870 -0.732 0.000 1.103 180 L CA 1.573 56.005 54.840 -0.679 0.000 0.769 180 L CB -0.457 41.112 42.059 -0.816 0.000 0.908 180 L HN 0.328 nan 8.230 nan 0.000 0.438 181 F N -1.130 118.646 119.950 -0.289 0.000 2.668 181 F HA 0.070 4.598 4.527 0.001 0.000 0.301 181 F C 2.220 178.016 175.800 -0.007 0.000 1.106 181 F CA 0.108 57.930 58.000 -0.296 0.000 1.289 181 F CB -0.066 38.657 39.000 -0.460 0.000 1.006 181 F HN -0.004 nan 8.300 nan 0.000 0.535 182 S N 0.002 115.793 115.700 0.151 0.000 2.383 182 S HA -0.227 4.244 4.470 0.001 0.000 0.229 182 S C 1.652 176.291 174.600 0.066 0.000 1.030 182 S CA 1.653 59.932 58.200 0.133 0.000 1.002 182 S CB -0.354 62.944 63.200 0.163 0.000 0.829 182 S HN 0.314 nan 8.310 nan 0.000 0.467 183 N N 0.571 119.349 118.700 0.129 0.000 2.449 183 N HA 0.212 4.952 4.740 0.001 0.000 0.191 183 N C -0.734 174.865 175.510 0.148 0.000 1.161 183 N CA 0.109 53.221 53.050 0.102 0.000 0.863 183 N CB -0.400 38.129 38.487 0.071 0.000 0.980 183 N HN 0.476 nan 8.380 nan 0.000 0.458 184 Y N 1.492 121.803 120.300 0.018 0.000 2.326 184 Y HA 0.199 4.749 4.550 0.001 0.000 0.333 184 Y C -1.589 174.329 175.900 0.030 0.000 1.240 184 Y CA -2.423 55.707 58.100 0.050 0.000 1.365 184 Y CB 0.038 38.586 38.460 0.146 0.000 1.289 184 Y HN 0.022 nan 8.280 nan 0.000 0.548 185 P HA -0.015 nan 4.420 nan 0.000 0.264 185 P C 0.236 177.590 177.300 0.089 0.000 1.183 185 P CA 0.029 63.158 63.100 0.047 0.000 0.763 185 P CB 0.725 32.436 31.700 0.019 0.000 0.807 186 R N 2.828 123.353 120.500 0.042 0.000 2.117 186 R HA -0.203 4.138 4.340 0.001 0.000 0.243 186 R C 1.834 178.171 176.300 0.061 0.000 1.143 186 R CA 1.392 57.517 56.100 0.041 0.000 0.968 186 R CB -0.968 29.337 30.300 0.007 0.000 0.863 186 R HN 0.607 nan 8.270 nan 0.000 0.444 187 E N 0.305 120.536 120.200 0.053 0.000 2.114 187 E HA -0.196 4.154 4.350 0.001 0.000 0.199 187 E C 1.099 177.741 176.600 0.070 0.000 1.008 187 E CA 2.331 58.761 56.400 0.049 0.000 0.810 187 E CB 0.201 29.923 29.700 0.037 0.000 0.739 187 E HN 0.574 nan 8.360 nan 0.000 0.456 188 T N -3.173 111.462 114.554 0.135 0.000 2.955 188 T HA 0.164 4.514 4.350 0.001 0.000 0.251 188 T C 1.562 176.414 174.700 0.254 0.000 1.002 188 T CA 0.057 62.260 62.100 0.171 0.000 0.970 188 T CB 0.063 69.106 68.868 0.291 0.000 1.091 188 T HN 0.010 nan 8.240 nan 0.000 0.495 189 R N 1.369 122.050 120.500 0.301 0.000 2.206 189 R HA -0.112 4.228 4.340 0.001 0.000 0.240 189 R C 2.086 178.494 176.300 0.181 0.000 1.117 189 R CA 2.141 58.410 56.100 0.282 0.000 0.915 189 R CB -0.869 29.568 30.300 0.227 0.000 0.888 189 R HN 0.387 nan 8.270 nan 0.000 0.432 190 L N 0.324 121.648 121.223 0.167 0.000 2.291 190 L HA -0.143 4.198 4.340 0.001 0.000 0.214 190 L C 2.763 179.665 176.870 0.054 0.000 1.120 190 L CA 1.283 56.238 54.840 0.190 0.000 0.799 190 L CB -0.546 41.666 42.059 0.256 0.000 0.925 190 L HN 0.552 nan 8.230 nan 0.000 0.446 191 Q N -0.238 119.529 119.800 -0.055 0.000 2.079 191 Q HA -0.235 4.105 4.340 0.001 0.000 0.200 191 Q C 2.201 177.989 176.000 -0.354 0.000 0.974 191 Q CA 1.716 57.379 55.803 -0.233 0.000 0.840 191 Q CB -0.180 28.410 28.738 -0.247 0.000 0.898 191 Q HN 0.373 nan 8.270 nan 0.000 0.430 192 Y N 0.269 120.377 120.300 -0.320 0.000 2.145 192 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 192 Y C 2.468 177.981 175.900 -0.645 0.000 1.145 192 Y CA 1.269 58.989 58.100 -0.634 0.000 1.148 192 Y CB -0.622 37.181 38.460 -1.095 0.000 0.981 192 Y HN -0.043 nan 8.280 nan 0.000 0.507 193 V N 0.504 120.272 119.914 -0.243 0.000 2.252 193 V HA -0.395 3.725 4.120 0.001 0.000 0.249 193 V C 2.467 178.545 176.094 -0.027 0.000 1.056 193 V CA 2.438 64.701 62.300 -0.061 0.000 1.022 193 V CB -0.637 31.257 31.823 0.117 0.000 0.641 193 V HN 0.378 nan 8.190 nan 0.000 0.445 194 K N -0.254 119.987 120.400 -0.266 0.000 2.009 194 K HA -0.219 4.101 4.320 0.001 0.000 0.210 194 K C 2.405 178.868 176.600 -0.229 0.000 1.049 194 K CA 1.705 57.665 56.287 -0.545 0.000 0.929 194 K CB -0.226 31.398 32.500 -1.461 0.000 0.714 194 K HN 0.336 nan 8.250 nan 0.000 0.440 195 R N -0.438 119.911 120.500 -0.251 0.000 2.096 195 R HA -0.191 4.149 4.340 0.001 0.000 0.240 195 R C 2.381 178.637 176.300 -0.072 0.000 1.139 195 R CA 1.969 57.965 56.100 -0.173 0.000 0.952 195 R CB -0.582 29.595 30.300 -0.205 0.000 0.854 195 R HN 0.282 nan 8.270 nan 0.000 0.436 196 F N 0.491 120.350 119.950 -0.152 0.000 2.113 196 F HA -0.262 4.265 4.527 0.001 0.000 0.297 196 F C 2.383 178.154 175.800 -0.048 0.000 1.103 196 F CA 1.484 59.445 58.000 -0.065 0.000 1.248 196 F CB -0.575 38.424 39.000 -0.001 0.000 0.999 196 F HN 0.000 nan 8.300 nan 0.000 0.475 197 Y N 1.391 121.756 120.300 0.108 0.000 2.053 197 Y HA -0.334 4.217 4.550 0.001 0.000 0.277 197 Y C 2.276 178.073 175.900 -0.172 0.000 1.159 197 Y CA 2.252 60.371 58.100 0.032 0.000 1.125 197 Y CB -1.027 37.486 38.460 0.089 0.000 0.969 197 Y HN 0.076 nan 8.280 nan 0.000 0.492 198 D N 0.433 120.658 120.400 -0.293 0.000 2.127 198 D HA -0.283 4.357 4.640 0.001 0.000 0.190 198 D C 2.380 178.373 176.300 -0.511 0.000 1.000 198 D CA 1.963 55.706 54.000 -0.428 0.000 0.839 198 D CB -0.957 39.714 40.800 -0.216 0.000 0.955 198 D HN 0.524 nan 8.370 nan 0.000 0.446 199 A N 0.630 123.200 122.820 -0.416 0.000 1.884 199 A HA -0.228 4.092 4.320 0.001 0.000 0.219 199 A C 2.551 179.815 177.584 -0.533 0.000 1.197 199 A CA 3.191 54.975 52.037 -0.422 0.000 0.637 199 A CB -1.083 17.674 19.000 -0.406 0.000 0.827 199 A HN 0.268 nan 8.150 nan 0.000 0.450 200 V N -1.566 117.928 119.914 -0.701 0.000 2.453 200 V HA -0.126 3.994 4.120 0.001 0.000 0.247 200 V C 2.342 177.791 176.094 -1.075 0.000 1.048 200 V CA 2.298 64.167 62.300 -0.718 0.000 1.049 200 V CB -1.239 30.238 31.823 -0.576 0.000 0.672 200 V HN 0.672 nan 8.190 nan 0.000 0.457 201 S N 1.877 116.812 115.700 -1.275 0.000 2.423 201 S HA -0.131 4.340 4.470 0.001 0.000 0.231 201 S C 1.755 175.620 174.600 -1.226 0.000 1.014 201 S CA 1.357 58.749 58.200 -1.346 0.000 0.965 201 S CB -1.070 61.443 63.200 -1.145 0.000 0.785 201 S HN 0.912 nan 8.310 nan 0.000 0.495 202 T N -1.574 112.404 114.554 -0.960 0.000 3.251 202 T HA 0.367 4.718 4.350 0.001 0.000 0.259 202 T C 0.113 174.434 174.700 -0.632 0.000 0.998 202 T CA -0.715 60.876 62.100 -0.849 0.000 0.905 202 T CB -1.273 67.312 68.868 -0.472 0.000 1.067 202 T HN 0.251 nan 8.240 nan 0.000 0.569 203 F N -0.474 119.320 119.950 -0.259 0.000 3.100 203 F HA -0.216 4.311 4.527 0.001 0.000 0.284 203 F C 1.176 176.918 175.800 -0.097 0.000 0.875 203 F CA 0.229 58.143 58.000 -0.144 0.000 1.039 203 F CB -2.511 36.449 39.000 -0.068 0.000 1.111 203 F HN 0.290 nan 8.300 nan 0.000 0.575 204 K N 0.296 120.667 120.400 -0.049 0.000 2.116 204 K HA 0.276 4.597 4.320 0.001 0.000 0.203 204 K C 0.737 177.362 176.600 0.043 0.000 1.052 204 K CA 1.058 57.345 56.287 0.000 0.000 0.952 204 K CB 0.239 32.703 32.500 -0.060 0.000 0.729 204 K HN 0.440 nan 8.250 nan 0.000 0.446 205 I N 0.258 120.797 120.570 -0.051 0.000 2.406 205 I HA 0.159 4.329 4.170 0.001 0.000 0.290 205 I C -0.434 175.667 176.117 -0.027 0.000 0.999 205 I CA -0.514 60.749 61.300 -0.061 0.000 1.124 205 I CB 2.106 39.996 38.000 -0.184 0.000 1.289 205 I HN -0.132 nan 8.210 nan 0.000 0.441 206 S N 6.093 121.804 115.700 0.017 0.000 2.617 206 S HA 0.723 5.194 4.470 0.001 0.000 0.283 206 S C -0.531 174.119 174.600 0.083 0.000 1.189 206 S CA -0.460 57.796 58.200 0.093 0.000 1.036 206 S CB 0.934 64.197 63.200 0.105 0.000 1.014 206 S HN 0.342 nan 8.310 nan 0.000 0.522 207 L N 3.666 124.984 121.223 0.158 0.000 2.408 207 L HA 0.485 4.826 4.340 0.001 0.000 0.268 207 L C -2.287 174.660 176.870 0.129 0.000 0.986 207 L CA -2.329 52.587 54.840 0.126 0.000 0.820 207 L CB 2.356 44.508 42.059 0.156 0.000 1.303 207 L HN 0.450 nan 8.230 nan 0.000 0.411 208 P HA 0.036 nan 4.420 nan 0.000 0.267 208 P C 0.497 177.821 177.300 0.040 0.000 1.201 208 P CA -0.088 63.059 63.100 0.077 0.000 0.775 208 P CB 0.560 32.292 31.700 0.053 0.000 0.854 209 T N 2.982 117.582 114.554 0.077 0.000 2.635 209 T HA -0.102 4.248 4.350 0.001 0.000 0.267 209 T C -0.805 173.851 174.700 -0.074 0.000 1.040 209 T CA 2.377 64.480 62.100 0.005 0.000 1.156 209 T CB -1.750 67.214 68.868 0.159 0.000 0.863 209 T HN 0.550 nan 8.240 nan 0.000 0.430 210 P HA -0.036 nan 4.420 nan 0.000 0.216 210 P C 1.550 178.954 177.300 0.174 0.000 1.153 210 P CA 1.123 64.288 63.100 0.107 0.000 0.858 210 P CB -0.223 31.562 31.700 0.142 0.000 0.789 211 I N -1.038 119.573 120.570 0.069 0.000 2.110 211 I HA -0.222 3.948 4.170 0.001 0.000 0.236 211 I C 2.673 178.729 176.117 -0.102 0.000 1.068 211 I CA 1.437 62.701 61.300 -0.059 0.000 1.333 211 I CB -0.691 37.245 38.000 -0.107 0.000 1.054 211 I HN -0.166 nan 8.210 nan 0.000 0.402 212 M N 0.555 120.033 119.600 -0.202 0.000 2.143 212 M HA -0.206 4.274 4.480 0.001 0.000 0.258 212 M C 2.529 178.631 176.300 -0.331 0.000 1.071 212 M CA 2.218 57.305 55.300 -0.355 0.000 1.088 212 M CB -1.401 30.606 32.600 -0.988 0.000 1.360 212 M HN 0.433 nan 8.290 nan 0.000 0.404 213 S N -0.985 114.547 115.700 -0.281 0.000 2.425 213 S HA 0.076 4.546 4.470 0.001 0.000 0.225 213 S C 2.002 176.643 174.600 0.069 0.000 1.024 213 S CA 0.785 58.934 58.200 -0.084 0.000 0.951 213 S CB -0.652 62.527 63.200 -0.036 0.000 0.796 213 S HN 0.496 nan 8.310 nan 0.000 0.498 214 G N 1.403 110.297 108.800 0.157 0.000 2.556 214 G HA2 0.216 4.176 3.960 0.001 0.000 0.209 214 G HA3 0.216 4.176 3.960 0.001 0.000 0.209 214 G C 0.317 175.453 174.900 0.393 0.000 1.159 214 G CA 0.070 45.374 45.100 0.339 0.000 0.828 214 G HN 0.393 nan 8.290 nan 0.000 0.553 215 V N 2.785 122.827 119.914 0.213 0.000 2.441 215 V HA 0.215 4.335 4.120 0.001 0.000 0.279 215 V C 1.179 177.302 176.094 0.049 0.000 0.990 215 V CA 1.625 63.939 62.300 0.023 0.000 1.116 215 V CB -0.352 31.278 31.823 -0.322 0.000 0.977 215 V HN 0.839 nan 8.190 nan 0.000 0.470 216 R N 2.376 122.943 120.500 0.113 0.000 1.703 216 R HA -0.104 4.237 4.340 0.001 0.000 0.358 216 R C 0.302 176.660 176.300 0.097 0.000 0.191 216 R CA 0.636 56.731 56.100 -0.008 0.000 1.436 216 R CB -1.483 28.701 30.300 -0.193 0.000 1.807 216 R HN 0.710 nan 8.270 nan 0.000 0.184 217 T N -1.675 113.003 114.554 0.207 0.000 2.923 217 T HA 0.608 4.959 4.350 0.001 0.000 0.281 217 T C -2.008 172.786 174.700 0.157 0.000 0.995 217 T CA -1.527 60.705 62.100 0.220 0.000 0.985 217 T CB 2.094 71.084 68.868 0.203 0.000 1.114 217 T HN -0.127 nan 8.240 nan 0.000 0.548 218 P HA 0.077 nan 4.420 nan 0.000 0.228 218 P C 0.843 178.124 177.300 -0.032 0.000 1.151 218 P CA 0.550 63.656 63.100 0.010 0.000 0.770 218 P CB -0.262 31.432 31.700 -0.011 0.000 0.786 219 T N -0.095 114.447 114.554 -0.021 0.000 2.701 219 T HA 0.165 4.515 4.350 0.001 0.000 0.303 219 T C 0.946 175.515 174.700 -0.218 0.000 1.030 219 T CA -0.029 61.989 62.100 -0.138 0.000 1.010 219 T CB 0.208 68.976 68.868 -0.166 0.000 1.007 219 T HN -0.141 nan 8.240 nan 0.000 0.532 220 R N 1.229 121.470 120.500 -0.430 0.000 2.518 220 R HA 0.189 4.529 4.340 0.001 0.000 0.419 220 R C -0.815 175.022 176.300 -0.772 0.000 0.902 220 R CA -0.295 55.513 56.100 -0.487 0.000 1.146 220 R CB 0.621 30.762 30.300 -0.266 0.000 1.652 220 R HN 0.505 nan 8.270 nan 0.000 0.555 221 Q N 0.232 119.444 119.800 -0.980 0.000 2.400 221 Q HA 0.365 4.705 4.340 0.001 0.000 0.255 221 Q C -0.112 175.379 176.000 -0.849 0.000 1.008 221 Q CA -0.152 55.247 55.803 -0.674 0.000 0.841 221 Q CB 0.723 29.244 28.738 -0.361 0.000 1.220 221 Q HN 0.030 nan 8.270 nan 0.000 0.474 222 F N -0.974 118.954 119.950 -0.037 0.000 2.798 222 F HA 0.076 4.603 4.527 0.001 0.000 0.328 222 F C 0.946 176.739 175.800 -0.012 0.000 1.098 222 F CA -0.576 57.414 58.000 -0.018 0.000 1.172 222 F CB 0.367 39.359 39.000 -0.012 0.000 1.072 222 F HN 0.176 nan 8.300 nan 0.000 0.555 223 S N -0.374 115.384 115.700 0.097 0.000 2.575 223 S HA 0.055 4.525 4.470 0.001 0.000 0.295 223 S C 1.041 175.672 174.600 0.053 0.000 1.267 223 S CA 0.080 58.323 58.200 0.072 0.000 1.074 223 S CB 1.303 64.572 63.200 0.114 0.000 0.829 223 S HN 0.178 nan 8.310 nan 0.000 0.497 224 S N 1.596 117.312 115.700 0.027 0.000 2.510 224 S HA 0.251 4.722 4.470 0.001 0.000 0.230 224 S C 0.505 175.095 174.600 -0.018 0.000 1.066 224 S CA 0.394 58.606 58.200 0.019 0.000 0.941 224 S CB -0.209 63.004 63.200 0.022 0.000 0.829 224 S HN 1.033 nan 8.310 nan 0.000 0.530 225 c N 1.130 119.695 118.600 -0.059 0.000 3.082 225 c HA 0.879 5.449 4.570 0.001 0.000 0.324 225 c C -0.476 173.507 174.090 -0.178 0.000 1.210 225 c CA -1.556 54.713 56.329 -0.101 0.000 1.366 225 c CB 0.765 43.236 42.510 -0.066 0.000 1.756 225 c HN 0.288 nan 8.230 nan 0.000 0.485 226 V N -0.212 119.549 119.914 -0.255 0.000 3.046 226 V HA 0.936 5.056 4.120 0.001 0.000 0.316 226 V C -1.189 174.795 176.094 -0.183 0.000 1.104 226 V CA -0.795 61.312 62.300 -0.322 0.000 1.006 226 V CB 1.745 33.162 31.823 -0.678 0.000 1.058 226 V HN 0.814 nan 8.190 nan 0.000 0.440 227 L N 3.634 124.769 121.223 -0.147 0.000 2.372 227 L HA 0.659 4.999 4.340 0.001 0.000 0.274 227 L C -0.466 176.349 176.870 -0.093 0.000 0.988 227 L CA 0.103 54.878 54.840 -0.108 0.000 0.833 227 L CB 1.464 43.453 42.059 -0.117 0.000 1.236 227 L HN 0.620 nan 8.230 nan 0.000 0.410 228 I N 2.005 122.525 120.570 -0.083 0.000 2.530 228 I HA 0.481 4.651 4.170 0.001 0.000 0.297 228 I C -0.275 175.796 176.117 -0.078 0.000 1.011 228 I CA -0.638 60.620 61.300 -0.070 0.000 1.107 228 I CB 2.207 40.164 38.000 -0.071 0.000 1.285 228 I HN 0.555 nan 8.210 nan 0.000 0.436 229 E N 4.768 124.933 120.200 -0.059 0.000 2.165 229 E HA 0.341 4.691 4.350 0.001 0.000 0.266 229 E C -1.678 174.907 176.600 -0.025 0.000 0.889 229 E CA -0.588 55.786 56.400 -0.044 0.000 0.756 229 E CB 1.939 31.612 29.700 -0.045 0.000 1.131 229 E HN 0.711 nan 8.360 nan 0.000 0.411 230 C N 4.300 123.594 119.300 -0.010 0.000 2.330 230 C HA 0.764 5.224 4.460 0.001 0.000 0.344 230 C C 0.840 175.859 174.990 0.048 0.000 1.273 230 C CA -0.127 58.908 59.018 0.030 0.000 1.879 230 C CB -0.399 27.384 27.740 0.072 0.000 2.376 230 C HN 0.852 nan 8.230 nan 0.000 0.534 231 G N 3.022 111.849 108.800 0.046 0.000 2.528 231 G HA2 0.312 4.272 3.960 0.001 0.000 0.289 231 G HA3 0.312 4.272 3.960 0.001 0.000 0.289 231 G C -0.440 174.490 174.900 0.050 0.000 1.192 231 G CA -0.133 44.980 45.100 0.022 0.000 0.921 231 G HN 0.799 nan 8.290 nan 0.000 0.512 232 D N -0.423 119.976 120.400 -0.003 0.000 2.688 232 D HA 0.341 4.982 4.640 0.001 0.000 0.228 232 D C 0.204 176.497 176.300 -0.012 0.000 1.116 232 D CA 0.029 54.008 54.000 -0.036 0.000 1.023 232 D CB -0.473 40.212 40.800 -0.192 0.000 1.100 232 D HN 0.467 nan 8.370 nan 0.000 0.487 233 S N 0.552 116.386 115.700 0.223 0.000 2.542 233 S HA 0.211 4.681 4.470 0.001 0.000 0.276 233 S C 0.910 175.627 174.600 0.196 0.000 1.148 233 S CA -0.922 57.441 58.200 0.272 0.000 0.886 233 S CB 0.662 63.924 63.200 0.104 0.000 1.109 233 S HN 0.107 nan 8.310 nan 0.000 0.458 234 L N 1.159 122.470 121.223 0.147 0.000 2.043 234 L HA -0.141 4.199 4.340 0.001 0.000 0.212 234 L C 2.062 178.944 176.870 0.020 0.000 1.075 234 L CA 1.725 56.551 54.840 -0.024 0.000 0.752 234 L CB -0.721 41.332 42.059 -0.009 0.000 0.891 234 L HN 0.729 nan 8.230 nan 0.000 0.432 235 D N -0.522 119.910 120.400 0.055 0.000 2.106 235 D HA -0.213 4.427 4.640 0.001 0.000 0.191 235 D C 2.358 178.696 176.300 0.062 0.000 0.997 235 D CA 1.806 55.839 54.000 0.054 0.000 0.834 235 D CB -0.130 40.700 40.800 0.051 0.000 0.956 235 D HN 0.151 nan 8.370 nan 0.000 0.448 236 S N -0.385 115.355 115.700 0.067 0.000 2.355 236 S HA -0.080 4.390 4.470 0.001 0.000 0.222 236 S C 2.201 176.869 174.600 0.112 0.000 1.031 236 S CA 0.482 58.728 58.200 0.077 0.000 0.993 236 S CB -0.260 62.982 63.200 0.070 0.000 0.859 236 S HN 0.168 nan 8.310 nan 0.000 0.453 237 I N 2.035 122.663 120.570 0.097 0.000 2.118 237 I HA -0.267 3.903 4.170 0.001 0.000 0.241 237 I C 2.394 178.652 176.117 0.235 0.000 1.070 237 I CA 1.335 62.730 61.300 0.160 0.000 1.327 237 I CB -0.623 37.258 38.000 -0.197 0.000 1.034 237 I HN 0.302 nan 8.210 nan 0.000 0.405 238 N N 1.074 119.857 118.700 0.138 0.000 2.018 238 N HA -0.196 4.544 4.740 0.001 0.000 0.196 238 N C 1.905 177.510 175.510 0.159 0.000 1.043 238 N CA 1.932 55.078 53.050 0.160 0.000 0.856 238 N CB -0.635 37.913 38.487 0.101 0.000 1.042 238 N HN 0.409 nan 8.380 nan 0.000 0.423 239 A N 0.468 123.359 122.820 0.118 0.000 1.873 239 A HA -0.208 4.112 4.320 0.001 0.000 0.218 239 A C 2.402 180.048 177.584 0.104 0.000 1.193 239 A CA 2.594 54.688 52.037 0.095 0.000 0.629 239 A CB -1.406 17.637 19.000 0.073 0.000 0.826 239 A HN 0.399 nan 8.150 nan 0.000 0.447 240 T N -0.327 114.296 114.554 0.114 0.000 2.624 240 T HA -0.232 4.118 4.350 0.001 0.000 0.268 240 T C 2.263 177.020 174.700 0.095 0.000 1.041 240 T CA 2.117 64.254 62.100 0.062 0.000 1.159 240 T CB -0.609 68.261 68.868 0.002 0.000 0.863 240 T HN 0.590 nan 8.240 nan 0.000 0.434 241 S N 0.452 116.302 115.700 0.251 0.000 2.365 241 S HA -0.169 4.301 4.470 0.001 0.000 0.225 241 S C 2.384 177.058 174.600 0.123 0.000 1.039 241 S CA 1.893 60.235 58.200 0.237 0.000 1.033 241 S CB -0.607 62.764 63.200 0.284 0.000 0.887 241 S HN 0.452 nan 8.310 nan 0.000 0.447 242 S N 1.212 116.981 115.700 0.115 0.000 2.359 242 S HA -0.032 4.438 4.470 0.001 0.000 0.224 242 S C 2.237 176.872 174.600 0.057 0.000 1.035 242 S CA 1.162 59.407 58.200 0.075 0.000 1.018 242 S CB -0.812 62.430 63.200 0.070 0.000 0.876 242 S HN 0.730 nan 8.310 nan 0.000 0.448 243 A N 1.630 124.493 122.820 0.072 0.000 1.865 243 A HA -0.119 4.201 4.320 0.001 0.000 0.217 243 A C 2.064 179.731 177.584 0.139 0.000 1.191 243 A CA 1.522 53.617 52.037 0.097 0.000 0.623 243 A CB -0.888 18.186 19.000 0.122 0.000 0.826 243 A HN 0.491 nan 8.150 nan 0.000 0.444 244 I N -0.360 120.274 120.570 0.107 0.000 2.118 244 I HA -0.282 3.888 4.170 0.001 0.000 0.241 244 I C 2.395 178.569 176.117 0.095 0.000 1.070 244 I CA 1.602 62.962 61.300 0.101 0.000 1.327 244 I CB -0.569 37.459 38.000 0.048 0.000 1.034 244 I HN 0.182 nan 8.210 nan 0.000 0.405 245 V N 0.988 120.939 119.914 0.061 0.000 2.287 245 V HA -0.298 3.822 4.120 0.001 0.000 0.248 245 V C 2.547 178.651 176.094 0.017 0.000 1.053 245 V CA 1.792 64.114 62.300 0.037 0.000 1.027 245 V CB -0.785 31.053 31.823 0.026 0.000 0.646 245 V HN 0.378 nan 8.190 nan 0.000 0.447 246 K N -0.805 119.585 120.400 -0.018 0.000 2.032 246 K HA -0.201 4.120 4.320 0.001 0.000 0.209 246 K C 2.113 178.636 176.600 -0.128 0.000 1.048 246 K CA 1.832 58.053 56.287 -0.109 0.000 0.927 246 K CB -0.631 31.744 32.500 -0.208 0.000 0.712 246 K HN 0.492 nan 8.250 nan 0.000 0.441 247 Y N 1.135 121.433 120.300 -0.003 0.000 2.242 247 Y HA -0.156 4.394 4.550 0.001 0.000 0.291 247 Y C 2.352 178.247 175.900 -0.007 0.000 1.137 247 Y CA 0.840 58.936 58.100 -0.007 0.000 1.181 247 Y CB -0.574 37.884 38.460 -0.003 0.000 0.989 247 Y HN -0.090 nan 8.280 nan 0.000 0.527 248 V N -2.542 117.461 119.914 0.148 0.000 2.809 248 V HA -0.136 3.984 4.120 0.001 0.000 0.256 248 V C 2.180 178.308 176.094 0.057 0.000 1.080 248 V CA 1.492 63.846 62.300 0.090 0.000 1.102 248 V CB -1.104 30.757 31.823 0.063 0.000 0.705 248 V HN 0.419 nan 8.190 nan 0.000 0.475 249 S N 0.353 116.075 115.700 0.036 0.000 2.474 249 S HA -0.181 4.290 4.470 0.001 0.000 0.235 249 S C 1.741 176.341 174.600 0.001 0.000 0.997 249 S CA 1.507 59.711 58.200 0.007 0.000 0.949 249 S CB -0.492 62.698 63.200 -0.017 0.000 0.766 249 S HN 0.759 nan 8.310 nan 0.000 0.517 250 Q N -0.171 119.642 119.800 0.021 0.000 2.188 250 Q HA 0.435 4.775 4.340 0.001 0.000 0.212 250 Q C -0.025 176.005 176.000 0.049 0.000 0.846 250 Q CA -0.284 55.530 55.803 0.018 0.000 0.989 250 Q CB 0.272 29.015 28.738 0.008 0.000 1.114 250 Q HN 0.514 nan 8.270 nan 0.000 0.488 251 R N -1.854 118.678 120.500 0.054 0.000 3.919 251 R HA -0.182 4.158 4.340 0.001 0.000 0.412 251 R C -0.323 176.011 176.300 0.058 0.000 1.102 251 R CA 0.538 56.668 56.100 0.050 0.000 1.082 251 R CB -2.109 28.214 30.300 0.038 0.000 1.671 251 R HN 0.266 nan 8.270 nan 0.000 0.540 252 A N 0.807 123.674 122.820 0.078 0.000 2.371 252 A HA 0.625 4.945 4.320 0.001 0.000 0.257 252 A C 0.896 178.491 177.584 0.018 0.000 1.089 252 A CA 0.367 52.430 52.037 0.043 0.000 0.794 252 A CB 0.588 19.605 19.000 0.027 0.000 1.029 252 A HN 0.290 nan 8.150 nan 0.000 0.488 253 G N 0.892 109.689 108.800 -0.005 0.000 2.390 253 G HA2 0.506 4.466 3.960 0.001 0.000 0.270 253 G HA3 0.506 4.466 3.960 0.001 0.000 0.270 253 G C -0.302 174.582 174.900 -0.027 0.000 1.211 253 G CA -0.378 44.722 45.100 0.000 0.000 0.842 253 G HN 0.509 nan 8.290 nan 0.000 0.519 254 I N 1.524 122.088 120.570 -0.011 0.000 2.404 254 I HA 0.455 4.625 4.170 0.001 0.000 0.293 254 I C 0.660 176.779 176.117 0.004 0.000 0.992 254 I CA -0.922 60.361 61.300 -0.028 0.000 1.149 254 I CB 1.228 39.214 38.000 -0.023 0.000 1.315 254 I HN 0.503 nan 8.210 nan 0.000 0.446 255 G N 6.942 115.752 108.800 0.017 0.000 2.437 255 G HA2 0.710 4.670 3.960 0.001 0.000 0.315 255 G HA3 0.710 4.670 3.960 0.001 0.000 0.315 255 G C -0.706 174.250 174.900 0.093 0.000 1.210 255 G CA -0.311 44.878 45.100 0.147 0.000 0.943 255 G HN 0.464 nan 8.290 nan 0.000 0.471 256 I N 2.118 122.758 120.570 0.117 0.000 2.404 256 I HA 0.242 4.413 4.170 0.001 0.000 0.293 256 I C -0.528 175.679 176.117 0.149 0.000 0.992 256 I CA -1.053 60.244 61.300 -0.004 0.000 1.149 256 I CB 2.207 40.083 38.000 -0.206 0.000 1.315 256 I HN 0.346 nan 8.210 nan 0.000 0.446 257 N N 5.387 124.132 118.700 0.075 0.000 2.457 257 N HA 0.470 5.211 4.740 0.001 0.000 0.250 257 N C -0.242 175.346 175.510 0.129 0.000 0.982 257 N CA -0.334 52.814 53.050 0.162 0.000 0.941 257 N CB 1.602 40.136 38.487 0.078 0.000 1.120 257 N HN 0.719 nan 8.380 nan 0.000 0.505 258 A N 2.354 125.291 122.820 0.195 0.000 2.637 258 A HA 0.378 4.698 4.320 0.001 0.000 0.293 258 A C 1.457 179.251 177.584 0.349 0.000 1.216 258 A CA -0.037 52.148 52.037 0.247 0.000 0.956 258 A CB -0.290 18.855 19.000 0.242 0.000 1.174 258 A HN 0.656 nan 8.150 nan 0.000 0.525 259 G N 0.634 109.656 108.800 0.370 0.000 2.443 259 G HA2 -0.167 3.793 3.960 0.001 0.000 0.219 259 G HA3 -0.167 3.793 3.960 0.001 0.000 0.219 259 G C 1.448 176.537 174.900 0.315 0.000 1.131 259 G CA 0.665 46.030 45.100 0.441 0.000 0.775 259 G HN 0.577 nan 8.290 nan 0.000 0.547 260 R N -0.254 120.282 120.500 0.061 0.000 2.299 260 R HA 0.270 4.610 4.340 0.001 0.000 0.197 260 R C 0.589 176.941 176.300 0.086 0.000 0.971 260 R CA -0.224 55.803 56.100 -0.122 0.000 1.030 260 R CB -0.022 30.064 30.300 -0.356 0.000 0.932 260 R HN 0.293 nan 8.270 nan 0.000 0.477 261 I N 4.006 124.717 120.570 0.236 0.000 2.664 261 I HA -0.080 4.091 4.170 0.001 0.000 0.284 261 I C 0.671 176.996 176.117 0.348 0.000 1.154 261 I CA 0.022 61.511 61.300 0.317 0.000 1.402 261 I CB 0.164 38.434 38.000 0.450 0.000 1.395 261 I HN 0.227 nan 8.210 nan 0.000 0.545 262 R N 5.943 126.530 120.500 0.144 0.000 2.698 262 R HA 0.409 4.749 4.340 0.001 0.000 0.266 262 R C 0.036 176.471 176.300 0.225 0.000 1.026 262 R CA -0.575 55.572 56.100 0.078 0.000 1.102 262 R CB 0.238 30.447 30.300 -0.152 0.000 0.978 262 R HN 0.607 nan 8.270 nan 0.000 0.436 263 A N 3.473 126.368 122.820 0.125 0.000 2.366 263 A HA 0.216 4.536 4.320 0.001 0.000 0.249 263 A C 0.101 177.755 177.584 0.117 0.000 1.084 263 A CA -0.736 51.399 52.037 0.163 0.000 0.794 263 A CB 0.259 19.275 19.000 0.026 0.000 1.034 263 A HN 0.789 nan 8.150 nan 0.000 0.491 264 L N 1.403 122.686 121.223 0.101 0.000 2.513 264 L HA 0.458 4.798 4.340 0.001 0.000 0.272 264 L C 1.113 178.016 176.870 0.055 0.000 1.187 264 L CA 1.941 56.823 54.840 0.071 0.000 0.895 264 L CB 0.153 42.229 42.059 0.029 0.000 1.147 264 L HN 1.581 nan 8.230 nan 0.000 0.483 265 G N 2.110 110.954 108.800 0.073 0.000 2.339 265 G HA2 -0.247 3.713 3.960 0.001 0.000 0.209 265 G HA3 -0.247 3.713 3.960 0.001 0.000 0.209 265 G C 0.481 175.388 174.900 0.011 0.000 1.015 265 G CA 0.050 45.195 45.100 0.075 0.000 0.635 265 G HN 0.845 nan 8.290 nan 0.000 0.499 266 S N 3.533 119.210 115.700 -0.039 0.000 2.566 266 S HA 0.431 4.901 4.470 0.001 0.000 0.280 266 S C -1.835 172.611 174.600 -0.257 0.000 1.343 266 S CA 0.008 58.148 58.200 -0.101 0.000 1.036 266 S CB 0.916 64.068 63.200 -0.080 0.000 0.866 266 S HN 0.438 nan 8.310 nan 0.000 0.526 267 P HA 0.108 nan 4.420 nan 0.000 0.268 267 P C -0.002 177.150 177.300 -0.248 0.000 1.205 267 P CA -0.304 62.660 63.100 -0.227 0.000 0.771 267 P CB 0.168 31.818 31.700 -0.084 0.000 0.858 268 I N 2.621 123.060 120.570 -0.219 0.000 2.752 268 I HA -0.058 4.113 4.170 0.001 0.000 0.286 268 I C 0.806 176.936 176.117 0.022 0.000 1.180 268 I CA -0.200 61.097 61.300 -0.006 0.000 1.404 268 I CB 0.108 38.213 38.000 0.176 0.000 1.389 268 I HN 0.186 nan 8.210 nan 0.000 0.549 269 R N 7.057 127.574 120.500 0.030 0.000 3.268 269 R HA 0.243 4.583 4.340 0.001 0.000 0.217 269 R C 0.587 176.913 176.300 0.044 0.000 1.568 269 R CA 0.561 56.663 56.100 0.003 0.000 1.322 269 R CB -0.636 29.633 30.300 -0.053 0.000 1.280 269 R HN 0.895 nan 8.270 nan 0.000 0.667 270 G N 1.777 110.604 108.800 0.044 0.000 2.247 270 G HA2 -0.121 3.840 3.960 0.001 0.000 0.265 270 G HA3 -0.121 3.840 3.960 0.001 0.000 0.265 270 G C 0.828 175.767 174.900 0.065 0.000 0.861 270 G CA 0.598 45.727 45.100 0.049 0.000 1.289 270 G HN 1.105 nan 8.290 nan 0.000 0.403 271 G N 0.186 109.037 108.800 0.084 0.000 2.424 271 G HA2 -0.200 3.761 3.960 0.001 0.000 0.207 271 G HA3 -0.200 3.761 3.960 0.001 0.000 0.207 271 G C 0.250 175.221 174.900 0.118 0.000 1.061 271 G CA 0.374 45.526 45.100 0.086 0.000 0.657 271 G HN 0.946 nan 8.290 nan 0.000 0.508 272 E N 1.697 121.998 120.200 0.168 0.000 2.129 272 E HA 0.558 4.909 4.350 0.001 0.000 0.283 272 E C 0.402 177.198 176.600 0.326 0.000 1.080 272 E CA 0.312 56.872 56.400 0.267 0.000 0.867 272 E CB 1.177 31.148 29.700 0.452 0.000 1.056 272 E HN 0.651 nan 8.360 nan 0.000 0.404 273 A N 4.518 127.458 122.820 0.200 0.000 2.923 273 A HA 0.200 4.520 4.320 0.001 0.000 0.306 273 A C -0.387 177.313 177.584 0.192 0.000 1.542 273 A CA -0.337 51.832 52.037 0.220 0.000 1.225 273 A CB -0.467 18.622 19.000 0.148 0.000 1.147 273 A HN 0.578 nan 8.150 nan 0.000 0.542 274 F N 0.460 120.475 119.950 0.108 0.000 2.645 274 F HA 0.137 4.664 4.527 0.001 0.000 0.300 274 F C 1.820 177.641 175.800 0.035 0.000 1.115 274 F CA -0.320 57.759 58.000 0.132 0.000 1.355 274 F CB -0.341 38.729 39.000 0.116 0.000 1.026 274 F HN 0.647 nan 8.300 nan 0.000 0.536 275 H N -0.013 119.170 119.070 0.189 0.000 2.353 275 H HA -0.173 4.384 4.556 0.001 0.000 0.298 275 H C 2.341 177.697 175.328 0.048 0.000 1.103 275 H CA 2.289 58.393 56.048 0.092 0.000 1.293 275 H CB -0.518 29.273 29.762 0.049 0.000 1.372 275 H HN 0.296 nan 8.280 nan 0.000 0.501 276 T N -1.850 112.779 114.554 0.124 0.000 3.072 276 T HA 0.214 4.565 4.350 0.001 0.000 0.266 276 T C 1.217 175.892 174.700 -0.042 0.000 1.127 276 T CA 0.773 62.865 62.100 -0.013 0.000 1.107 276 T CB -0.150 68.638 68.868 -0.133 0.000 0.910 276 T HN 0.698 nan 8.240 nan 0.000 0.513 277 G N -0.226 108.610 108.800 0.060 0.000 2.681 277 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 277 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 277 G C 0.843 175.786 174.900 0.072 0.000 1.353 277 G CA -0.471 44.686 45.100 0.096 0.000 0.872 277 G HN 0.399 nan 8.290 nan 0.000 0.557 278 C N 0.304 119.612 119.300 0.014 0.000 2.446 278 C HA 0.025 4.486 4.460 0.001 0.000 0.277 278 C C 3.042 177.821 174.990 -0.352 0.000 1.275 278 C CA 1.317 60.274 59.018 -0.102 0.000 1.727 278 C CB -1.524 25.976 27.740 -0.401 0.000 2.010 278 C HN 0.532 nan 8.230 nan 0.000 0.486 279 I N 2.043 122.355 120.570 -0.431 0.000 2.091 279 I HA -0.155 4.016 4.170 0.001 0.000 0.239 279 I C -0.295 175.715 176.117 -0.179 0.000 1.061 279 I CA 2.010 63.098 61.300 -0.353 0.000 1.317 279 I CB -2.896 34.950 38.000 -0.258 0.000 1.031 279 I HN 0.185 nan 8.210 nan 0.000 0.401 280 P HA -0.185 nan 4.420 nan 0.000 0.216 280 P C 1.859 178.967 177.300 -0.320 0.000 1.154 280 P CA 1.748 64.645 63.100 -0.339 0.000 0.865 280 P CB -0.185 31.198 31.700 -0.527 0.000 0.789 281 F N -2.598 117.285 119.950 -0.112 0.000 2.128 281 F HA -0.134 4.394 4.527 0.001 0.000 0.295 281 F C 2.436 178.106 175.800 -0.217 0.000 1.100 281 F CA 0.964 58.825 58.000 -0.233 0.000 1.260 281 F CB -1.802 37.061 39.000 -0.229 0.000 1.009 281 F HN -0.125 nan 8.300 nan 0.000 0.476 282 Y N 0.747 121.074 120.300 0.044 0.000 2.069 282 Y HA -0.295 4.255 4.550 0.001 0.000 0.278 282 Y C 2.446 178.439 175.900 0.156 0.000 1.175 282 Y CA 1.231 59.457 58.100 0.210 0.000 1.134 282 Y CB -1.384 37.221 38.460 0.242 0.000 0.965 282 Y HN 0.007 nan 8.280 nan 0.000 0.498 283 K N -1.088 119.463 120.400 0.252 0.000 2.074 283 K HA -0.264 4.056 4.320 0.001 0.000 0.209 283 K C 2.062 178.760 176.600 0.163 0.000 1.048 283 K CA 1.845 58.233 56.287 0.169 0.000 0.926 283 K CB -0.390 32.158 32.500 0.080 0.000 0.713 283 K HN 0.346 nan 8.250 nan 0.000 0.444 284 H N -0.787 118.283 119.070 0.001 0.000 2.353 284 H HA -0.096 4.461 4.556 0.001 0.000 0.300 284 H C 1.450 176.828 175.328 0.084 0.000 1.090 284 H CA 1.808 57.848 56.048 -0.015 0.000 1.327 284 H CB -0.070 29.640 29.762 -0.087 0.000 1.383 284 H HN 0.103 nan 8.280 nan 0.000 0.508 285 F N 0.671 120.686 119.950 0.108 0.000 2.146 285 F HA -0.116 4.411 4.527 0.001 0.000 0.298 285 F C 2.832 178.638 175.800 0.010 0.000 1.096 285 F CA 1.391 59.402 58.000 0.019 0.000 1.275 285 F CB -1.038 38.001 39.000 0.065 0.000 1.008 285 F HN 0.302 nan 8.300 nan 0.000 0.480 286 Q N 0.298 120.245 119.800 0.244 0.000 2.061 286 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 286 Q C 2.239 178.306 176.000 0.113 0.000 0.984 286 Q CA 2.777 58.681 55.803 0.168 0.000 0.846 286 Q CB -0.219 28.633 28.738 0.189 0.000 0.902 286 Q HN 0.540 nan 8.270 nan 0.000 0.421 287 T N -1.639 112.965 114.554 0.084 0.000 2.788 287 T HA -0.061 4.289 4.350 0.001 0.000 0.268 287 T C 1.876 176.584 174.700 0.013 0.000 1.044 287 T CA 1.176 63.306 62.100 0.049 0.000 1.139 287 T CB -0.505 68.394 68.868 0.051 0.000 0.867 287 T HN 0.356 nan 8.240 nan 0.000 0.454 288 A N 1.322 124.124 122.820 -0.030 0.000 1.883 288 A HA 0.025 4.345 4.320 0.001 0.000 0.217 288 A C 2.675 180.279 177.584 0.033 0.000 1.186 288 A CA 1.735 53.761 52.037 -0.019 0.000 0.624 288 A CB -1.245 17.752 19.000 -0.007 0.000 0.822 288 A HN 0.404 nan 8.150 nan 0.000 0.444 289 V N -0.282 119.666 119.914 0.057 0.000 2.332 289 V HA -0.228 3.892 4.120 0.001 0.000 0.248 289 V C 2.267 178.388 176.094 0.044 0.000 1.055 289 V CA 2.457 64.789 62.300 0.054 0.000 1.038 289 V CB -0.530 31.329 31.823 0.059 0.000 0.651 289 V HN 0.499 nan 8.190 nan 0.000 0.450 290 K N 0.446 120.872 120.400 0.044 0.000 2.458 290 K HA 0.045 4.365 4.320 0.001 0.000 0.194 290 K C 1.983 178.597 176.600 0.024 0.000 1.024 290 K CA 0.625 56.930 56.287 0.030 0.000 1.108 290 K CB -0.143 32.375 32.500 0.030 0.000 0.846 290 K HN 0.654 nan 8.250 nan 0.000 0.518 291 S N -0.955 114.760 115.700 0.025 0.000 2.419 291 S HA -0.167 4.303 4.470 0.001 0.000 0.235 291 S C 1.157 175.768 174.600 0.018 0.000 1.019 291 S CA 0.767 58.980 58.200 0.021 0.000 0.982 291 S CB -0.411 62.801 63.200 0.019 0.000 0.789 291 S HN 0.266 nan 8.310 nan 0.000 0.490 292 C N 3.223 122.534 119.300 0.018 0.000 2.641 292 C HA 0.728 5.188 4.460 0.001 0.000 0.294 292 C C 0.383 175.381 174.990 0.013 0.000 1.496 292 C CA -0.917 58.109 59.018 0.014 0.000 1.672 292 C CB -1.513 26.235 27.740 0.013 0.000 2.763 292 C HN 0.594 nan 8.230 nan 0.000 0.545 293 S N -0.726 114.980 115.700 0.010 0.000 2.575 293 S HA 0.488 4.959 4.470 0.001 0.000 0.278 293 S C 0.110 174.710 174.600 0.000 0.000 1.139 293 S CA -0.487 57.717 58.200 0.006 0.000 0.954 293 S CB 1.498 64.701 63.200 0.005 0.000 1.054 293 S HN 0.275 nan 8.310 nan 0.000 0.483 294 Q N 2.491 122.291 119.800 0.000 0.000 2.440 294 Q HA -0.285 4.055 4.340 0.001 0.000 0.228 294 Q C 1.857 177.855 176.000 -0.003 0.000 1.100 294 Q CA 3.060 58.862 55.803 -0.001 0.000 0.991 294 Q CB -1.388 27.349 28.738 -0.003 0.000 1.027 294 Q HN 1.062 nan 8.270 nan 0.000 0.528 295 G N -4.017 104.777 108.800 -0.009 0.000 2.724 295 G HA2 0.415 4.375 3.960 0.001 0.000 0.205 295 G HA3 0.415 4.375 3.960 0.001 0.000 0.205 295 G C 0.735 175.632 174.900 -0.005 0.000 1.112 295 G CA 0.571 45.667 45.100 -0.007 0.000 0.793 295 G HN 0.902 nan 8.290 nan 0.000 0.526 296 G N -1.019 107.774 108.800 -0.013 0.000 2.456 296 G HA2 0.047 4.007 3.960 0.001 0.000 0.208 296 G HA3 0.047 4.007 3.960 0.001 0.000 0.208 296 G C 0.605 175.485 174.900 -0.032 0.000 1.004 296 G CA 0.612 45.709 45.100 -0.006 0.000 0.791 296 G HN 1.240 nan 8.290 nan 0.000 0.537 297 V N -3.859 116.012 119.914 -0.072 0.000 3.180 297 V HA 0.508 4.629 4.120 0.001 0.000 0.246 297 V C 0.781 176.790 176.094 -0.142 0.000 1.545 297 V CA 0.475 62.672 62.300 -0.172 0.000 1.138 297 V CB 0.142 31.809 31.823 -0.261 0.000 0.978 297 V HN 0.178 nan 8.190 nan 0.000 0.437 298 R N 2.023 122.478 120.500 -0.075 0.000 2.248 298 R HA 0.546 4.886 4.340 0.001 0.000 0.337 298 R C 0.366 176.655 176.300 -0.017 0.000 1.106 298 R CA 1.103 57.176 56.100 -0.044 0.000 0.959 298 R CB 0.044 30.328 30.300 -0.026 0.000 1.075 298 R HN 0.972 nan 8.270 nan 0.000 0.480 299 G N 1.468 110.263 108.800 -0.007 0.000 2.570 299 G HA2 0.205 4.165 3.960 0.001 0.000 0.686 299 G HA3 0.205 4.165 3.960 0.001 0.000 0.686 299 G C -0.163 174.746 174.900 0.016 0.000 1.257 299 G CA -0.466 44.642 45.100 0.013 0.000 0.846 299 G HN 0.989 nan 8.290 nan 0.000 0.627 300 G N -1.302 107.516 108.800 0.030 0.000 2.940 300 G HA2 0.535 4.495 3.960 0.001 0.000 0.273 300 G HA3 0.535 4.495 3.960 0.001 0.000 0.273 300 G C 0.250 175.173 174.900 0.039 0.000 1.030 300 G CA 0.909 46.029 45.100 0.034 0.000 1.066 300 G HN 2.627 nan 8.290 nan 0.000 0.466 301 A N 1.254 124.101 122.820 0.045 0.000 2.355 301 A HA 1.183 5.504 4.320 0.001 0.000 0.324 301 A C 0.395 177.999 177.584 0.034 0.000 1.117 301 A CA 0.312 52.379 52.037 0.050 0.000 0.785 301 A CB 1.925 20.968 19.000 0.072 0.000 1.254 301 A HN 2.618 nan 8.150 nan 0.000 0.453 302 A N 0.629 123.458 122.820 0.015 0.000 2.606 302 A HA 0.849 5.169 4.320 0.001 0.000 0.293 302 A C -0.602 176.936 177.584 -0.077 0.000 1.082 302 A CA -0.464 51.562 52.037 -0.018 0.000 0.685 302 A CB 1.353 20.333 19.000 -0.033 0.000 1.284 302 A HN 0.924 nan 8.150 nan 0.000 0.408 303 T N 1.420 115.921 114.554 -0.090 0.000 2.879 303 T HA 0.546 4.896 4.350 0.001 0.000 0.290 303 T C -0.981 173.529 174.700 -0.316 0.000 0.993 303 T CA -0.152 61.801 62.100 -0.245 0.000 0.975 303 T CB 0.977 69.742 68.868 -0.173 0.000 0.981 303 T HN 0.605 nan 8.240 nan 0.000 0.439 304 L N 3.929 124.871 121.223 -0.468 0.000 2.307 304 L HA 0.710 5.050 4.340 0.001 0.000 0.284 304 L C -1.434 175.254 176.870 -0.303 0.000 1.023 304 L CA -0.701 53.989 54.840 -0.250 0.000 0.810 304 L CB 0.549 42.496 42.059 -0.186 0.000 1.231 304 L HN 0.537 nan 8.230 nan 0.000 0.423 305 F N 4.528 124.496 119.950 0.030 0.000 2.469 305 F HA 0.578 5.105 4.527 0.001 0.000 0.332 305 F C -0.519 175.355 175.800 0.123 0.000 1.103 305 F CA -0.449 57.554 58.000 0.005 0.000 0.979 305 F CB 1.435 40.462 39.000 0.045 0.000 1.137 305 F HN 0.331 nan 8.300 nan 0.000 0.463 306 Y N 0.816 121.301 120.300 0.308 0.000 2.581 306 Y HA 0.685 5.235 4.550 0.001 0.000 0.337 306 Y C -3.330 172.646 175.900 0.128 0.000 1.108 306 Y CA -3.894 54.339 58.100 0.222 0.000 1.033 306 Y CB 0.662 39.194 38.460 0.119 0.000 1.318 306 Y HN 0.235 nan 8.280 nan 0.000 0.459 307 P HA 0.039 nan 4.420 nan 0.000 0.269 307 P C 0.595 177.796 177.300 -0.166 0.000 1.209 307 P CA -0.176 62.798 63.100 -0.210 0.000 0.776 307 P CB 1.226 32.193 31.700 -1.221 0.000 0.876 308 M N 3.384 122.890 119.600 -0.156 0.000 2.213 308 M HA -0.073 4.408 4.480 0.001 0.000 0.263 308 M C 1.235 177.544 176.300 0.016 0.000 1.062 308 M CA 1.713 56.996 55.300 -0.029 0.000 1.105 308 M CB -0.315 32.244 32.600 -0.069 0.000 1.385 308 M HN 0.470 nan 8.290 nan 0.000 0.417 309 W N -0.509 120.827 121.300 0.059 0.000 3.256 309 W HA 0.109 4.770 4.660 0.001 0.000 0.269 309 W C 0.304 176.915 176.519 0.153 0.000 1.310 309 W CA -0.502 56.906 57.345 0.105 0.000 1.673 309 W CB -1.451 28.109 29.460 0.167 0.000 1.115 309 W HN 0.131 nan 8.180 nan 0.000 0.686 310 H N 2.403 121.409 119.070 -0.108 0.000 3.038 310 H HA -0.115 4.442 4.556 0.001 0.000 0.338 310 H C 1.101 176.484 175.328 0.093 0.000 1.041 310 H CA 0.774 56.821 56.048 -0.000 0.000 1.394 310 H CB 1.534 31.229 29.762 -0.112 0.000 1.357 310 H HN 0.053 nan 8.280 nan 0.000 0.600 311 L N 4.427 125.608 121.223 -0.070 0.000 2.081 311 L HA -0.191 4.149 4.340 0.001 0.000 0.212 311 L C 1.537 178.480 176.870 0.122 0.000 1.080 311 L CA 1.934 56.785 54.840 0.019 0.000 0.754 311 L CB -0.379 41.639 42.059 -0.068 0.000 0.893 311 L HN 0.735 nan 8.230 nan 0.000 0.433 312 E N -1.530 118.867 120.200 0.328 0.000 2.368 312 E HA -0.014 4.337 4.350 0.001 0.000 0.188 312 E C 1.922 178.465 176.600 -0.095 0.000 1.061 312 E CA 0.047 56.483 56.400 0.060 0.000 0.933 312 E CB 0.069 29.751 29.700 -0.030 0.000 1.091 312 E HN 0.310 nan 8.360 nan 0.000 0.458 313 V N 1.636 121.520 119.914 -0.049 0.000 2.324 313 V HA -0.337 3.783 4.120 0.001 0.000 0.250 313 V C 1.853 177.868 176.094 -0.130 0.000 1.060 313 V CA 2.142 64.356 62.300 -0.143 0.000 1.042 313 V CB -0.087 31.731 31.823 -0.008 0.000 0.650 313 V HN 0.336 nan 8.190 nan 0.000 0.450 314 E N -0.485 119.666 120.200 -0.082 0.000 2.204 314 E HA -0.136 4.214 4.350 0.001 0.000 0.194 314 E C 2.297 178.834 176.600 -0.104 0.000 0.989 314 E CA 1.378 57.734 56.400 -0.074 0.000 0.824 314 E CB -0.160 29.511 29.700 -0.049 0.000 0.756 314 E HN 0.614 nan 8.360 nan 0.000 0.477 315 S N 0.893 116.511 115.700 -0.138 0.000 2.425 315 S HA 0.019 4.490 4.470 0.001 0.000 0.225 315 S C 2.030 176.491 174.600 -0.232 0.000 1.024 315 S CA 0.358 58.462 58.200 -0.161 0.000 0.951 315 S CB 0.020 63.122 63.200 -0.163 0.000 0.796 315 S HN 0.164 nan 8.310 nan 0.000 0.498 316 L N 0.895 121.921 121.223 -0.328 0.000 2.027 316 L HA -0.069 4.272 4.340 0.001 0.000 0.206 316 L C 2.072 178.754 176.870 -0.315 0.000 1.074 316 L CA 0.778 55.332 54.840 -0.478 0.000 0.745 316 L CB -0.634 40.872 42.059 -0.921 0.000 0.898 316 L HN 0.277 nan 8.230 nan 0.000 0.433 317 L N 0.050 121.181 121.223 -0.153 0.000 2.189 317 L HA -0.148 4.192 4.340 0.001 0.000 0.214 317 L C 1.949 178.781 176.870 -0.064 0.000 1.097 317 L CA 1.531 56.353 54.840 -0.031 0.000 0.764 317 L CB -0.793 41.262 42.059 -0.008 0.000 0.900 317 L HN 0.273 nan 8.230 nan 0.000 0.436 318 V N -5.027 114.827 119.914 -0.099 0.000 3.121 318 V HA 0.177 4.297 4.120 0.001 0.000 0.344 318 V C 1.665 177.709 176.094 -0.084 0.000 1.390 318 V CA -0.030 62.227 62.300 -0.070 0.000 1.177 318 V CB -0.380 31.409 31.823 -0.058 0.000 1.163 318 V HN 0.202 nan 8.190 nan 0.000 0.484 319 L N 0.388 121.526 121.223 -0.143 0.000 2.131 319 L HA -0.013 4.328 4.340 0.001 0.000 0.210 319 L C 2.474 179.345 176.870 0.001 0.000 1.092 319 L CA 1.568 56.341 54.840 -0.111 0.000 0.759 319 L CB -0.282 41.627 42.059 -0.250 0.000 0.903 319 L HN 0.443 nan 8.230 nan 0.000 0.435 320 K N -0.603 119.824 120.400 0.046 0.000 2.404 320 K HA 0.036 4.357 4.320 0.001 0.000 0.194 320 K C 0.422 177.026 176.600 0.007 0.000 1.023 320 K CA -0.146 56.172 56.287 0.052 0.000 1.094 320 K CB -0.421 32.134 32.500 0.091 0.000 0.841 320 K HN 0.094 nan 8.250 nan 0.000 0.523 321 N N 3.703 122.400 118.700 -0.006 0.000 2.427 321 N HA -0.078 4.663 4.740 0.001 0.000 0.269 321 N C 0.910 176.409 175.510 -0.018 0.000 1.235 321 N CA -0.049 52.995 53.050 -0.011 0.000 0.934 321 N CB 0.456 38.933 38.487 -0.016 0.000 1.121 321 N HN 0.142 nan 8.380 nan 0.000 0.480 322 N N 3.979 122.671 118.700 -0.014 0.000 2.149 322 N HA -0.234 4.507 4.740 0.001 0.000 0.188 322 N C 0.204 175.706 175.510 -0.014 0.000 1.019 322 N CA 1.168 54.208 53.050 -0.016 0.000 0.857 322 N CB -0.254 38.229 38.487 -0.006 0.000 0.997 322 N HN 0.492 nan 8.380 nan 0.000 0.426 323 R N 1.093 121.585 120.500 -0.012 0.000 2.441 323 R HA 0.362 4.702 4.340 0.001 0.000 0.300 323 R C -0.320 175.970 176.300 -0.018 0.000 1.284 323 R CA 0.333 56.425 56.100 -0.013 0.000 1.069 323 R CB -0.506 29.788 30.300 -0.011 0.000 1.087 323 R HN 0.485 nan 8.270 nan 0.000 0.519 324 G N 0.824 109.613 108.800 -0.019 0.000 2.356 324 G HA2 0.064 4.024 3.960 0.001 0.000 0.294 324 G HA3 0.064 4.024 3.960 0.001 0.000 0.294 324 G C -1.496 173.390 174.900 -0.024 0.000 1.423 324 G CA -0.748 44.338 45.100 -0.024 0.000 0.806 324 G HN 0.316 nan 8.290 nan 0.000 0.527 325 V N 0.982 120.880 119.914 -0.027 0.000 2.529 325 V HA 0.232 4.353 4.120 0.001 0.000 0.292 325 V C 1.596 177.674 176.094 -0.028 0.000 1.028 325 V CA 0.468 62.752 62.300 -0.026 0.000 1.074 325 V CB 1.202 33.007 31.823 -0.030 0.000 0.958 325 V HN 0.806 nan 8.190 nan 0.000 0.481 326 E N 4.709 124.896 120.200 -0.021 0.000 2.114 326 E HA -0.194 4.156 4.350 0.001 0.000 0.199 326 E C 1.969 178.555 176.600 -0.023 0.000 1.008 326 E CA 1.816 58.205 56.400 -0.018 0.000 0.810 326 E CB -0.537 29.158 29.700 -0.009 0.000 0.739 326 E HN 0.989 nan 8.360 nan 0.000 0.456 327 G N 0.401 109.183 108.800 -0.030 0.000 2.432 327 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 327 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 327 G C 1.083 175.952 174.900 -0.053 0.000 1.135 327 G CA 0.467 45.543 45.100 -0.041 0.000 0.767 327 G HN 0.280 nan 8.290 nan 0.000 0.550 328 N N 0.281 118.948 118.700 -0.054 0.000 2.546 328 N HA 0.245 4.986 4.740 0.001 0.000 0.286 328 N C -0.617 174.854 175.510 -0.064 0.000 1.259 328 N CA -0.298 52.710 53.050 -0.069 0.000 0.939 328 N CB 0.500 38.944 38.487 -0.071 0.000 1.243 328 N HN -0.063 nan 8.380 nan 0.000 0.511 329 R N 0.635 121.109 120.500 -0.044 0.000 2.548 329 R HA 0.345 4.685 4.340 0.001 0.000 0.280 329 R C -1.356 174.947 176.300 0.004 0.000 1.061 329 R CA -0.594 55.487 56.100 -0.030 0.000 0.915 329 R CB 1.782 32.061 30.300 -0.035 0.000 1.210 329 R HN -0.165 nan 8.270 nan 0.000 0.442 330 V N 4.715 124.660 119.914 0.053 0.000 2.315 330 V HA 0.310 4.430 4.120 0.001 0.000 0.265 330 V C 1.071 177.241 176.094 0.126 0.000 1.019 330 V CA -0.493 61.887 62.300 0.133 0.000 0.824 330 V CB 0.943 32.937 31.823 0.285 0.000 1.072 330 V HN 0.616 nan 8.190 nan 0.000 0.448 331 R N 0.301 120.761 120.500 -0.067 0.000 2.275 331 R HA 0.132 4.472 4.340 0.001 0.000 0.199 331 R C 0.555 176.738 176.300 -0.194 0.000 0.989 331 R CA 0.509 56.516 56.100 -0.155 0.000 1.016 331 R CB 0.147 30.267 30.300 -0.299 0.000 0.918 331 R HN 0.631 nan 8.270 nan 0.000 0.473 332 H N 0.244 119.371 119.070 0.095 0.000 2.579 332 H HA 0.374 4.930 4.556 0.001 0.000 0.289 332 H C -0.196 175.145 175.328 0.022 0.000 1.270 332 H CA 0.162 56.244 56.048 0.058 0.000 1.060 332 H CB -0.014 29.781 29.762 0.055 0.000 1.554 332 H HN 0.048 nan 8.280 nan 0.000 0.515 333 M N 0.783 120.406 119.600 0.038 0.000 2.413 333 M HA 0.175 4.655 4.480 0.001 0.000 0.287 333 M C -1.148 174.893 176.300 -0.433 0.000 1.186 333 M CA -0.732 54.470 55.300 -0.162 0.000 0.927 333 M CB 3.053 35.523 32.600 -0.217 0.000 1.715 333 M HN -0.003 nan 8.290 nan 0.000 0.478 334 D N 1.233 121.374 120.400 -0.432 0.000 2.294 334 D HA 0.493 5.133 4.640 0.001 0.000 0.250 334 D C -1.258 174.473 176.300 -0.948 0.000 1.058 334 D CA 0.302 53.983 54.000 -0.532 0.000 0.950 334 D CB 0.961 41.592 40.800 -0.283 0.000 1.158 334 D HN 0.278 nan 8.370 nan 0.000 0.453 335 Y N -0.908 119.190 120.300 -0.337 0.000 2.509 335 Y HA 0.552 5.102 4.550 0.001 0.000 0.341 335 Y C 0.937 176.531 175.900 -0.510 0.000 1.038 335 Y CA -1.048 56.843 58.100 -0.347 0.000 1.089 335 Y CB 2.144 40.542 38.460 -0.103 0.000 1.241 335 Y HN 0.340 nan 8.280 nan 0.000 0.468 336 G N 1.277 109.758 108.800 -0.531 0.000 2.660 336 G HA2 0.503 4.464 3.960 0.001 0.000 0.305 336 G HA3 0.503 4.464 3.960 0.001 0.000 0.305 336 G C -1.501 173.192 174.900 -0.345 0.000 1.329 336 G CA -0.571 44.273 45.100 -0.426 0.000 1.000 336 G HN 0.454 nan 8.290 nan 0.000 0.514 337 V N 2.710 122.479 119.914 -0.242 0.000 2.508 337 V HA 0.167 4.287 4.120 0.001 0.000 0.281 337 V C 0.319 176.399 176.094 -0.023 0.000 1.041 337 V CA -0.185 61.962 62.300 -0.255 0.000 1.016 337 V CB 0.956 32.711 31.823 -0.113 0.000 0.984 337 V HN 0.714 nan 8.190 nan 0.000 0.478 338 Q N 4.943 124.755 119.800 0.020 0.000 2.331 338 Q HA 0.639 4.979 4.340 0.001 0.000 0.257 338 Q C -0.846 175.222 176.000 0.113 0.000 0.957 338 Q CA -0.091 55.776 55.803 0.107 0.000 0.923 338 Q CB 1.644 30.502 28.738 0.199 0.000 1.212 338 Q HN 0.658 nan 8.270 nan 0.000 0.443 339 I N 2.199 122.782 120.570 0.021 0.000 2.740 339 I HA 0.460 4.630 4.170 0.001 0.000 0.303 339 I C -0.264 175.770 176.117 -0.137 0.000 1.044 339 I CA -1.000 60.275 61.300 -0.042 0.000 1.064 339 I CB 1.869 39.747 38.000 -0.204 0.000 1.249 339 I HN 0.652 nan 8.210 nan 0.000 0.433 340 N N 2.713 121.321 118.700 -0.154 0.000 2.831 340 N HA 0.350 5.090 4.740 0.001 0.000 0.276 340 N C 0.184 175.644 175.510 -0.082 0.000 1.416 340 N CA -0.827 52.118 53.050 -0.175 0.000 0.799 340 N CB 0.951 39.193 38.487 -0.408 0.000 1.554 340 N HN 0.296 nan 8.380 nan 0.000 0.541 341 K N -0.390 119.989 120.400 -0.035 0.000 2.015 341 K HA -0.130 4.191 4.320 0.001 0.000 0.216 341 K C 1.674 178.284 176.600 0.016 0.000 1.052 341 K CA 1.353 57.632 56.287 -0.013 0.000 0.937 341 K CB -0.636 31.903 32.500 0.065 0.000 0.719 341 K HN 0.517 nan 8.250 nan 0.000 0.446 342 L N 1.415 122.653 121.223 0.025 0.000 2.042 342 L HA -0.221 4.119 4.340 0.001 0.000 0.210 342 L C 2.378 179.281 176.870 0.056 0.000 1.076 342 L CA 1.626 56.502 54.840 0.061 0.000 0.749 342 L CB -0.396 41.730 42.059 0.111 0.000 0.893 342 L HN 0.205 nan 8.230 nan 0.000 0.432 343 M N -1.744 117.872 119.600 0.027 0.000 2.065 343 M HA -0.274 4.206 4.480 0.001 0.000 0.259 343 M C 2.427 178.802 176.300 0.125 0.000 1.071 343 M CA 1.945 57.290 55.300 0.075 0.000 1.109 343 M CB -1.498 31.099 32.600 -0.004 0.000 1.313 343 M HN 0.218 nan 8.290 nan 0.000 0.408 344 Y N 1.088 121.432 120.300 0.073 0.000 2.114 344 Y HA -0.213 4.337 4.550 0.001 0.000 0.282 344 Y C 2.838 178.652 175.900 -0.143 0.000 1.165 344 Y CA 1.993 60.007 58.100 -0.144 0.000 1.148 344 Y CB -1.675 36.581 38.460 -0.339 0.000 0.972 344 Y HN 0.319 nan 8.280 nan 0.000 0.504 345 T N 0.364 114.965 114.554 0.079 0.000 2.665 345 T HA -0.205 4.145 4.350 0.001 0.000 0.268 345 T C 2.023 176.752 174.700 0.049 0.000 1.035 345 T CA 1.487 63.613 62.100 0.044 0.000 1.151 345 T CB -0.178 68.719 68.868 0.049 0.000 0.862 345 T HN 0.213 nan 8.240 nan 0.000 0.438 346 R N 0.694 121.245 120.500 0.086 0.000 2.096 346 R HA -0.050 4.290 4.340 0.001 0.000 0.240 346 R C 2.417 178.763 176.300 0.077 0.000 1.139 346 R CA 0.995 57.158 56.100 0.104 0.000 0.952 346 R CB -1.337 29.058 30.300 0.159 0.000 0.854 346 R HN 0.345 nan 8.270 nan 0.000 0.436 347 L N 1.322 122.569 121.223 0.039 0.000 1.990 347 L HA -0.166 4.175 4.340 0.001 0.000 0.213 347 L C 2.282 179.113 176.870 -0.065 0.000 1.072 347 L CA 1.687 56.480 54.840 -0.078 0.000 0.755 347 L CB -0.729 41.031 42.059 -0.499 0.000 0.889 347 L HN 0.105 nan 8.230 nan 0.000 0.432 348 L N -0.566 120.619 121.223 -0.064 0.000 2.042 348 L HA -0.250 4.091 4.340 0.001 0.000 0.210 348 L C 2.240 179.104 176.870 -0.011 0.000 1.076 348 L CA 1.614 56.430 54.840 -0.041 0.000 0.749 348 L CB -0.631 41.408 42.059 -0.033 0.000 0.893 348 L HN 0.291 nan 8.230 nan 0.000 0.432 349 K N 0.088 120.492 120.400 0.007 0.000 2.458 349 K HA 0.106 4.426 4.320 0.001 0.000 0.194 349 K C 1.065 177.679 176.600 0.023 0.000 1.024 349 K CA 0.531 56.828 56.287 0.017 0.000 1.108 349 K CB 0.153 32.670 32.500 0.027 0.000 0.846 349 K HN 0.415 nan 8.250 nan 0.000 0.518 350 G N 2.424 111.238 108.800 0.023 0.000 2.258 350 G HA2 -0.303 3.658 3.960 0.001 0.000 0.274 350 G HA3 -0.303 3.658 3.960 0.001 0.000 0.274 350 G C -0.255 174.671 174.900 0.043 0.000 1.021 350 G CA 0.595 45.714 45.100 0.032 0.000 0.798 350 G HN 0.445 nan 8.290 nan 0.000 0.507 351 E N -0.290 119.943 120.200 0.055 0.000 2.330 351 E HA 0.487 4.837 4.350 0.001 0.000 0.256 351 E C -0.329 176.319 176.600 0.080 0.000 1.146 351 E CA -0.966 55.471 56.400 0.062 0.000 0.945 351 E CB 0.659 30.398 29.700 0.066 0.000 1.182 351 E HN 0.174 nan 8.360 nan 0.000 0.480 352 D N 0.218 120.663 120.400 0.075 0.000 2.348 352 D HA 0.347 4.987 4.640 0.001 0.000 0.249 352 D C -0.476 175.896 176.300 0.119 0.000 1.110 352 D CA -0.083 53.963 54.000 0.078 0.000 0.967 352 D CB 0.788 41.613 40.800 0.041 0.000 1.139 352 D HN 0.201 nan 8.370 nan 0.000 0.466 353 I N 0.849 121.489 120.570 0.118 0.000 2.406 353 I HA 0.152 4.322 4.170 0.001 0.000 0.290 353 I C -0.136 176.044 176.117 0.105 0.000 0.999 353 I CA -0.483 60.923 61.300 0.178 0.000 1.124 353 I CB 1.864 39.976 38.000 0.188 0.000 1.289 353 I HN 0.037 nan 8.210 nan 0.000 0.441 354 T N 7.250 121.876 114.554 0.120 0.000 2.771 354 T HA 0.499 4.849 4.350 0.001 0.000 0.291 354 T C -0.012 174.550 174.700 -0.230 0.000 0.954 354 T CA -0.401 61.574 62.100 -0.208 0.000 1.045 354 T CB 0.605 69.157 68.868 -0.527 0.000 0.917 354 T HN 0.262 nan 8.240 nan 0.000 0.484 355 L N 3.750 124.789 121.223 -0.307 0.000 2.325 355 L HA 0.681 5.021 4.340 0.001 0.000 0.279 355 L C -0.775 175.854 176.870 -0.402 0.000 1.054 355 L CA -0.707 54.053 54.840 -0.134 0.000 0.804 355 L CB 0.635 42.676 42.059 -0.030 0.000 1.200 355 L HN 0.533 nan 8.230 nan 0.000 0.436 356 F N -0.171 119.879 119.950 0.166 0.000 2.601 356 F HA 0.310 4.838 4.527 0.001 0.000 0.309 356 F C 0.247 176.072 175.800 0.043 0.000 1.089 356 F CA -0.699 57.331 58.000 0.050 0.000 0.940 356 F CB 2.162 41.142 39.000 -0.033 0.000 1.273 356 F HN 0.334 nan 8.300 nan 0.000 0.450 357 S N 3.065 118.842 115.700 0.129 0.000 2.545 357 S HA 0.315 4.785 4.470 0.001 0.000 0.275 357 S C -1.770 172.881 174.600 0.085 0.000 1.299 357 S CA -1.255 56.910 58.200 -0.059 0.000 1.048 357 S CB 1.122 64.276 63.200 -0.076 0.000 0.938 357 S HN 0.361 nan 8.310 nan 0.000 0.496 358 P HA -0.153 nan 4.420 nan 0.000 0.216 358 P C 1.773 179.104 177.300 0.051 0.000 1.150 358 P CA 1.661 64.906 63.100 0.241 0.000 0.843 358 P CB -0.267 31.584 31.700 0.252 0.000 0.787 359 S N -0.462 115.221 115.700 -0.028 0.000 2.387 359 S HA -0.208 4.262 4.470 0.001 0.000 0.230 359 S C 1.507 176.043 174.600 -0.107 0.000 1.035 359 S CA 1.747 59.895 58.200 -0.087 0.000 1.014 359 S CB -1.306 61.818 63.200 -0.127 0.000 0.836 359 S HN 0.125 nan 8.310 nan 0.000 0.466 360 D N 1.232 121.563 120.400 -0.116 0.000 2.349 360 D HA 0.113 4.753 4.640 0.001 0.000 0.215 360 D C 0.531 176.610 176.300 -0.368 0.000 1.016 360 D CA 0.561 54.452 54.000 -0.182 0.000 0.870 360 D CB 0.450 41.178 40.800 -0.120 0.000 0.917 360 D HN 0.566 nan 8.370 nan 0.000 0.524 361 V N -0.842 118.815 119.914 -0.429 0.000 2.276 361 V HA 0.392 4.513 4.120 0.001 0.000 0.268 361 V C -2.862 172.980 176.094 -0.419 0.000 1.032 361 V CA -2.375 59.419 62.300 -0.844 0.000 0.810 361 V CB 0.931 32.142 31.823 -1.019 0.000 1.060 361 V HN -0.286 nan 8.190 nan 0.000 0.446 362 P HA 0.189 nan 4.420 nan 0.000 0.260 362 P C 1.339 178.710 177.300 0.119 0.000 1.172 362 P CA 2.058 65.142 63.100 -0.027 0.000 0.760 362 P CB 0.688 32.388 31.700 0.000 0.000 0.773 363 G N 2.753 111.631 108.800 0.130 0.000 2.328 363 G HA2 -0.351 3.609 3.960 0.001 0.000 0.256 363 G HA3 -0.351 3.609 3.960 0.001 0.000 0.256 363 G C 0.933 175.969 174.900 0.227 0.000 1.014 363 G CA 0.258 45.460 45.100 0.170 0.000 0.620 363 G HN 0.536 nan 8.290 nan 0.000 0.530 364 L N -0.616 120.734 121.223 0.213 0.000 1.989 364 L HA -0.075 4.265 4.340 0.001 0.000 0.211 364 L C 2.429 179.576 176.870 0.461 0.000 1.071 364 L CA 2.944 57.892 54.840 0.179 0.000 0.749 364 L CB -0.592 41.410 42.059 -0.095 0.000 0.890 364 L HN 0.496 nan 8.230 nan 0.000 0.431 365 Y N 1.124 121.697 120.300 0.455 0.000 2.128 365 Y HA -0.330 4.221 4.550 0.001 0.000 0.284 365 Y C 2.419 178.749 175.900 0.717 0.000 1.154 365 Y CA 2.158 60.685 58.100 0.710 0.000 1.149 365 Y CB -0.199 38.619 38.460 0.597 0.000 0.976 365 Y HN 0.323 nan 8.280 nan 0.000 0.505 366 D N 0.079 120.862 120.400 0.639 0.000 2.104 366 D HA -0.219 4.421 4.640 0.001 0.000 0.194 366 D C 2.317 178.869 176.300 0.421 0.000 0.994 366 D CA 1.586 55.873 54.000 0.478 0.000 0.830 366 D CB -0.794 40.199 40.800 0.321 0.000 0.959 366 D HN 0.483 nan 8.370 nan 0.000 0.452 367 A N 0.786 123.839 122.820 0.388 0.000 1.908 367 A HA -0.222 4.098 4.320 0.001 0.000 0.218 367 A C 2.098 179.906 177.584 0.374 0.000 1.181 367 A CA 1.180 53.427 52.037 0.350 0.000 0.627 367 A CB -1.093 18.110 19.000 0.337 0.000 0.818 367 A HN 0.207 nan 8.150 nan 0.000 0.445 368 F N -0.027 120.069 119.950 0.242 0.000 2.111 368 F HA -0.247 4.280 4.527 0.001 0.000 0.300 368 F C 1.760 177.262 175.800 -0.496 0.000 1.088 368 F CA 1.839 59.656 58.000 -0.305 0.000 1.243 368 F CB -0.583 38.249 39.000 -0.280 0.000 0.996 368 F HN 0.259 nan 8.300 nan 0.000 0.483 369 F N -0.933 118.941 119.950 -0.126 0.000 2.317 369 F HA 0.225 4.752 4.527 0.001 0.000 0.290 369 F C 2.398 178.141 175.800 -0.095 0.000 1.075 369 F CA 0.856 58.726 58.000 -0.217 0.000 1.380 369 F CB -1.292 37.609 39.000 -0.166 0.000 1.093 369 F HN -0.039 nan 8.300 nan 0.000 0.524 370 A N -1.565 121.366 122.820 0.186 0.000 1.956 370 A HA 0.044 4.364 4.320 0.001 0.000 0.212 370 A C 0.103 177.741 177.584 0.090 0.000 1.188 370 A CA 1.029 53.141 52.037 0.124 0.000 0.675 370 A CB -0.108 18.972 19.000 0.132 0.000 0.845 370 A HN 0.209 nan 8.150 nan 0.000 0.455 371 D N -1.419 119.046 120.400 0.108 0.000 2.575 371 D HA 0.317 4.957 4.640 0.001 0.000 0.250 371 D C 0.389 176.760 176.300 0.119 0.000 1.279 371 D CA -0.413 53.643 54.000 0.094 0.000 0.925 371 D CB 1.200 42.057 40.800 0.096 0.000 1.261 371 D HN -0.049 nan 8.370 nan 0.000 0.567 372 Q N 2.068 121.918 119.800 0.084 0.000 2.123 372 Q HA -0.076 4.264 4.340 0.001 0.000 0.199 372 Q C 1.273 177.367 176.000 0.156 0.000 0.966 372 Q CA 1.017 56.884 55.803 0.107 0.000 0.845 372 Q CB 0.215 28.983 28.738 0.049 0.000 0.907 372 Q HN 0.638 nan 8.270 nan 0.000 0.439 373 E N 0.921 121.182 120.200 0.102 0.000 2.033 373 E HA -0.238 4.112 4.350 0.001 0.000 0.199 373 E C 1.933 178.581 176.600 0.080 0.000 1.011 373 E CA 1.420 57.867 56.400 0.078 0.000 0.815 373 E CB -0.104 29.626 29.700 0.050 0.000 0.755 373 E HN 0.328 nan 8.360 nan 0.000 0.451 374 E N 0.666 120.919 120.200 0.087 0.000 2.058 374 E HA -0.186 4.164 4.350 0.001 0.000 0.194 374 E C 1.913 178.559 176.600 0.076 0.000 0.997 374 E CA 0.994 57.433 56.400 0.065 0.000 0.801 374 E CB -0.565 29.183 29.700 0.080 0.000 0.746 374 E HN 0.233 nan 8.360 nan 0.000 0.450 375 F N 1.346 121.312 119.950 0.026 0.000 2.065 375 F HA -0.242 4.285 4.527 0.001 0.000 0.298 375 F C 2.303 178.110 175.800 0.011 0.000 1.112 375 F CA 2.404 60.422 58.000 0.030 0.000 1.212 375 F CB -0.454 38.587 39.000 0.069 0.000 0.975 375 F HN 0.164 nan 8.300 nan 0.000 0.476 376 E N 0.155 120.443 120.200 0.147 0.000 2.049 376 E HA -0.304 4.047 4.350 0.001 0.000 0.198 376 E C 2.508 179.071 176.600 -0.061 0.000 1.007 376 E CA 1.787 58.219 56.400 0.055 0.000 0.809 376 E CB -0.352 29.410 29.700 0.103 0.000 0.749 376 E HN 0.418 nan 8.360 nan 0.000 0.450 377 R N 0.073 120.529 120.500 -0.073 0.000 2.088 377 R HA -0.184 4.156 4.340 0.001 0.000 0.232 377 R C 2.538 178.673 176.300 -0.276 0.000 1.136 377 R CA 2.005 58.025 56.100 -0.134 0.000 0.926 377 R CB -0.488 29.749 30.300 -0.104 0.000 0.837 377 R HN 0.252 nan 8.270 nan 0.000 0.429 378 L N -0.536 120.475 121.223 -0.354 0.000 2.042 378 L HA -0.234 4.106 4.340 0.001 0.000 0.210 378 L C 2.483 178.917 176.870 -0.727 0.000 1.076 378 L CA 1.461 55.900 54.840 -0.669 0.000 0.749 378 L CB -0.758 41.023 42.059 -0.464 0.000 0.893 378 L HN 0.284 nan 8.230 nan 0.000 0.432 379 Y N 1.451 121.333 120.300 -0.697 0.000 2.070 379 Y HA -0.347 4.204 4.550 0.001 0.000 0.280 379 Y C 3.036 178.749 175.900 -0.312 0.000 1.148 379 Y CA 2.345 60.087 58.100 -0.597 0.000 1.125 379 Y CB -0.717 37.300 38.460 -0.737 0.000 0.975 379 Y HN 0.317 nan 8.280 nan 0.000 0.492 380 T N -1.314 113.153 114.554 -0.146 0.000 2.720 380 T HA -0.271 4.079 4.350 0.001 0.000 0.268 380 T C 1.920 176.507 174.700 -0.189 0.000 1.037 380 T CA 1.703 63.727 62.100 -0.126 0.000 1.144 380 T CB -0.559 68.276 68.868 -0.056 0.000 0.864 380 T HN 0.323 nan 8.240 nan 0.000 0.444 381 K N 0.315 120.541 120.400 -0.291 0.000 2.001 381 K HA -0.210 4.111 4.320 0.001 0.000 0.214 381 K C 2.123 178.591 176.600 -0.220 0.000 1.050 381 K CA 1.804 57.903 56.287 -0.313 0.000 0.934 381 K CB -0.475 31.720 32.500 -0.508 0.000 0.718 381 K HN 0.359 nan 8.250 nan 0.000 0.443 382 Y N 1.443 121.582 120.300 -0.268 0.000 2.403 382 Y HA -0.099 4.452 4.550 0.001 0.000 0.291 382 Y C 2.027 177.871 175.900 -0.094 0.000 1.143 382 Y CA 0.966 58.880 58.100 -0.310 0.000 1.257 382 Y CB -0.417 37.605 38.460 -0.730 0.000 0.984 382 Y HN 0.313 nan 8.280 nan 0.000 0.550 383 E N -0.015 120.208 120.200 0.039 0.000 2.072 383 E HA -0.196 4.154 4.350 0.001 0.000 0.191 383 E C 1.919 178.529 176.600 0.016 0.000 0.985 383 E CA 1.183 57.607 56.400 0.040 0.000 0.801 383 E CB -0.013 29.622 29.700 -0.108 0.000 0.750 383 E HN 0.246 nan 8.360 nan 0.000 0.452 384 K N 0.912 121.306 120.400 -0.010 0.000 2.155 384 K HA -0.054 4.267 4.320 0.001 0.000 0.203 384 K C 0.461 177.065 176.600 0.008 0.000 1.052 384 K CA 0.424 56.705 56.287 -0.010 0.000 0.948 384 K CB 0.021 32.505 32.500 -0.028 0.000 0.728 384 K HN -0.037 nan 8.250 nan 0.000 0.448 385 D N 1.391 121.808 120.400 0.029 0.000 2.368 385 D HA -0.058 4.582 4.640 0.001 0.000 0.268 385 D C -0.449 175.871 176.300 0.032 0.000 1.298 385 D CA 0.185 54.206 54.000 0.036 0.000 0.938 385 D CB 0.527 41.370 40.800 0.071 0.000 1.101 385 D HN 0.169 nan 8.370 nan 0.000 0.509 386 D N 1.031 121.439 120.400 0.014 0.000 2.348 386 D HA -0.109 4.531 4.640 0.001 0.000 0.216 386 D C 1.769 178.072 176.300 0.004 0.000 0.970 386 D CA 0.399 54.404 54.000 0.007 0.000 0.889 386 D CB 0.230 41.029 40.800 -0.001 0.000 0.912 386 D HN 0.230 nan 8.370 nan 0.000 0.524 387 S N 0.869 116.570 115.700 0.002 0.000 2.368 387 S HA -0.074 4.396 4.470 0.001 0.000 0.225 387 S C 1.123 175.715 174.600 -0.012 0.000 1.030 387 S CA 0.388 58.583 58.200 -0.008 0.000 0.999 387 S CB -0.347 62.844 63.200 -0.015 0.000 0.844 387 S HN 0.284 nan 8.310 nan 0.000 0.459 388 I N 2.937 123.504 120.570 -0.006 0.000 2.581 388 I HA 0.087 4.257 4.170 0.001 0.000 0.285 388 I C 0.755 176.901 176.117 0.048 0.000 1.129 388 I CA -0.273 61.026 61.300 -0.001 0.000 1.397 388 I CB 0.124 38.115 38.000 -0.016 0.000 1.399 388 I HN 0.120 nan 8.210 nan 0.000 0.537 389 R N 8.024 128.540 120.500 0.026 0.000 2.537 389 R HA 0.054 4.394 4.340 0.001 0.000 0.281 389 R C -0.432 175.890 176.300 0.036 0.000 0.988 389 R CA 0.606 56.716 56.100 0.017 0.000 1.077 389 R CB 0.388 30.690 30.300 0.004 0.000 0.932 389 R HN 0.748 nan 8.270 nan 0.000 0.409 390 K N 2.452 122.817 120.400 -0.058 0.000 2.548 390 K HA 0.306 4.626 4.320 0.001 0.000 0.282 390 K C -1.543 174.931 176.600 -0.211 0.000 1.006 390 K CA -1.105 55.038 56.287 -0.239 0.000 0.892 390 K CB 1.655 33.893 32.500 -0.436 0.000 1.499 390 K HN 0.502 nan 8.250 nan 0.000 0.433 391 Q N 0.812 120.448 119.800 -0.274 0.000 2.389 391 Q HA 0.368 4.708 4.340 0.001 0.000 0.277 391 Q C -1.232 174.658 176.000 -0.183 0.000 1.082 391 Q CA -1.015 54.685 55.803 -0.171 0.000 0.810 391 Q CB 2.233 30.906 28.738 -0.109 0.000 1.374 391 Q HN 0.497 nan 8.270 nan 0.000 0.422 392 R N 1.110 121.540 120.500 -0.116 0.000 2.474 392 R HA 0.582 4.922 4.340 0.001 0.000 0.295 392 R C -0.607 175.669 176.300 -0.040 0.000 0.980 392 R CA -0.466 55.584 56.100 -0.083 0.000 0.934 392 R CB 1.486 31.749 30.300 -0.061 0.000 1.101 392 R HN 0.493 nan 8.270 nan 0.000 0.469 393 V N -1.194 118.714 119.914 -0.010 0.000 2.841 393 V HA 0.461 4.581 4.120 0.001 0.000 0.310 393 V C -0.092 176.024 176.094 0.038 0.000 1.090 393 V CA -1.351 60.955 62.300 0.010 0.000 0.930 393 V CB 2.221 34.053 31.823 0.014 0.000 1.014 393 V HN 0.551 nan 8.190 nan 0.000 0.425 394 K N 2.109 122.533 120.400 0.040 0.000 2.436 394 K HA 0.411 4.732 4.320 0.001 0.000 0.282 394 K C 1.485 178.142 176.600 0.096 0.000 1.044 394 K CA 0.575 56.897 56.287 0.059 0.000 1.028 394 K CB 1.308 33.837 32.500 0.048 0.000 0.919 394 K HN 0.997 nan 8.250 nan 0.000 0.474 395 A N 3.940 126.839 122.820 0.132 0.000 1.927 395 A HA -0.189 4.131 4.320 0.001 0.000 0.220 395 A C 1.914 179.671 177.584 0.289 0.000 1.185 395 A CA 1.969 54.144 52.037 0.229 0.000 0.639 395 A CB -0.520 18.630 19.000 0.249 0.000 0.820 395 A HN 0.589 nan 8.150 nan 0.000 0.451 396 V N -0.074 119.949 119.914 0.181 0.000 2.332 396 V HA -0.316 3.804 4.120 0.001 0.000 0.248 396 V C 2.308 178.495 176.094 0.154 0.000 1.055 396 V CA 2.351 64.746 62.300 0.158 0.000 1.038 396 V CB -1.134 30.740 31.823 0.085 0.000 0.651 396 V HN 0.655 nan 8.190 nan 0.000 0.450 397 E N 0.096 120.361 120.200 0.108 0.000 2.031 397 E HA -0.236 4.114 4.350 0.001 0.000 0.193 397 E C 2.171 178.815 176.600 0.074 0.000 0.994 397 E CA 1.444 57.888 56.400 0.074 0.000 0.800 397 E CB -0.307 29.421 29.700 0.047 0.000 0.752 397 E HN 0.405 nan 8.360 nan 0.000 0.447 398 L N 0.272 121.537 121.223 0.070 0.000 1.989 398 L HA -0.179 4.161 4.340 0.001 0.000 0.211 398 L C 2.072 178.916 176.870 -0.044 0.000 1.071 398 L CA 1.675 56.512 54.840 -0.006 0.000 0.749 398 L CB -0.491 41.538 42.059 -0.050 0.000 0.890 398 L HN 0.043 nan 8.230 nan 0.000 0.431 399 F N -0.522 119.448 119.950 0.033 0.000 2.095 399 F HA -0.245 4.283 4.527 0.001 0.000 0.298 399 F C 2.632 178.455 175.800 0.038 0.000 1.104 399 F CA 1.848 59.871 58.000 0.038 0.000 1.232 399 F CB -0.837 38.190 39.000 0.045 0.000 0.987 399 F HN 0.066 nan 8.300 nan 0.000 0.475 400 S N 0.385 116.214 115.700 0.215 0.000 2.359 400 S HA -0.227 4.244 4.470 0.001 0.000 0.224 400 S C 1.943 176.585 174.600 0.071 0.000 1.035 400 S CA 1.323 59.595 58.200 0.119 0.000 1.018 400 S CB -0.852 62.397 63.200 0.080 0.000 0.876 400 S HN 0.270 nan 8.310 nan 0.000 0.448 401 L N 1.725 122.979 121.223 0.050 0.000 2.013 401 L HA -0.070 4.270 4.340 0.001 0.000 0.212 401 L C 2.320 179.202 176.870 0.020 0.000 1.073 401 L CA 1.883 56.736 54.840 0.021 0.000 0.753 401 L CB -0.625 41.436 42.059 0.004 0.000 0.890 401 L HN 0.359 nan 8.230 nan 0.000 0.432 402 M N -1.906 117.702 119.600 0.014 0.000 2.086 402 M HA -0.243 4.238 4.480 0.001 0.000 0.261 402 M C 2.064 178.399 176.300 0.057 0.000 1.067 402 M CA 1.824 57.136 55.300 0.020 0.000 1.116 402 M CB -0.032 32.551 32.600 -0.028 0.000 1.348 402 M HN 0.293 nan 8.290 nan 0.000 0.407 403 M N -0.080 119.573 119.600 0.088 0.000 2.175 403 M HA -0.191 4.289 4.480 0.001 0.000 0.264 403 M C 2.015 178.344 176.300 0.049 0.000 1.063 403 M CA 1.631 56.987 55.300 0.093 0.000 1.119 403 M CB -1.536 31.134 32.600 0.116 0.000 1.377 403 M HN 0.453 nan 8.290 nan 0.000 0.415 404 Q N 0.283 120.103 119.800 0.033 0.000 1.975 404 Q HA -0.198 4.142 4.340 0.001 0.000 0.205 404 Q C 1.938 177.948 176.000 0.015 0.000 0.990 404 Q CA 1.530 57.339 55.803 0.011 0.000 0.845 404 Q CB 0.100 28.843 28.738 0.008 0.000 0.913 404 Q HN 0.367 nan 8.270 nan 0.000 0.420 405 E N 0.213 120.425 120.200 0.020 0.000 2.118 405 E HA -0.239 4.112 4.350 0.001 0.000 0.195 405 E C 1.912 178.531 176.600 0.031 0.000 0.992 405 E CA 1.114 57.527 56.400 0.020 0.000 0.804 405 E CB -0.318 29.392 29.700 0.017 0.000 0.741 405 E HN 0.331 nan 8.360 nan 0.000 0.458 406 R N 0.698 121.226 120.500 0.047 0.000 2.073 406 R HA -0.117 4.223 4.340 0.001 0.000 0.234 406 R C 2.247 178.593 176.300 0.078 0.000 1.134 406 R CA 1.498 57.640 56.100 0.070 0.000 0.952 406 R CB -0.200 30.166 30.300 0.109 0.000 0.850 406 R HN 0.132 nan 8.270 nan 0.000 0.433 407 A N 0.581 123.435 122.820 0.056 0.000 1.858 407 A HA -0.181 4.139 4.320 0.001 0.000 0.216 407 A C 2.224 179.830 177.584 0.036 0.000 1.190 407 A CA 2.097 54.159 52.037 0.041 0.000 0.617 407 A CB -0.707 18.285 19.000 -0.014 0.000 0.827 407 A HN 0.595 nan 8.150 nan 0.000 0.443 408 S N -0.338 115.375 115.700 0.021 0.000 2.355 408 S HA -0.159 4.312 4.470 0.001 0.000 0.222 408 S C 2.045 176.660 174.600 0.024 0.000 1.031 408 S CA 1.937 60.147 58.200 0.016 0.000 0.993 408 S CB -1.093 62.112 63.200 0.008 0.000 0.859 408 S HN 0.863 nan 8.310 nan 0.000 0.453 409 T N -1.952 112.620 114.554 0.030 0.000 3.031 409 T HA 0.427 4.777 4.350 0.001 0.000 0.254 409 T C 1.790 176.518 174.700 0.046 0.000 1.060 409 T CA 1.179 63.298 62.100 0.032 0.000 1.135 409 T CB -0.421 68.464 68.868 0.029 0.000 0.896 409 T HN 0.981 nan 8.240 nan 0.000 0.472 410 G N 2.047 110.888 108.800 0.069 0.000 2.199 410 G HA2 -0.231 3.730 3.960 0.001 0.000 0.254 410 G HA3 -0.231 3.730 3.960 0.001 0.000 0.254 410 G C 0.826 175.842 174.900 0.193 0.000 0.982 410 G CA 0.194 45.367 45.100 0.122 0.000 0.632 410 G HN 0.597 nan 8.290 nan 0.000 0.529 411 R N -0.028 120.501 120.500 0.048 0.000 2.652 411 R HA 0.399 4.740 4.340 0.001 0.000 0.372 411 R C 0.142 176.068 176.300 -0.624 0.000 1.104 411 R CA -0.279 55.699 56.100 -0.203 0.000 1.072 411 R CB 0.352 30.598 30.300 -0.091 0.000 1.367 411 R HN 0.370 nan 8.270 nan 0.000 0.577 412 I N 2.521 122.906 120.570 -0.308 0.000 2.337 412 I HA 0.251 4.421 4.170 0.001 0.000 0.285 412 I C -0.312 175.737 176.117 -0.115 0.000 1.041 412 I CA -1.390 59.762 61.300 -0.247 0.000 1.199 412 I CB -0.130 37.850 38.000 -0.034 0.000 1.370 412 I HN -0.065 nan 8.210 nan 0.000 0.470 413 Y N 6.007 126.338 120.300 0.051 0.000 2.354 413 Y HA 0.524 5.075 4.550 0.001 0.000 0.322 413 Y C 0.400 176.352 175.900 0.087 0.000 1.253 413 Y CA -1.307 56.846 58.100 0.087 0.000 1.272 413 Y CB 0.737 39.259 38.460 0.103 0.000 1.255 413 Y HN 0.295 nan 8.280 nan 0.000 0.500 414 I N 1.131 121.905 120.570 0.339 0.000 2.562 414 I HA 0.359 4.530 4.170 0.001 0.000 0.301 414 I C -0.562 175.719 176.117 0.273 0.000 1.003 414 I CA -0.714 60.743 61.300 0.262 0.000 1.127 414 I CB 1.831 40.004 38.000 0.287 0.000 1.304 414 I HN 0.572 nan 8.210 nan 0.000 0.446 415 Q N 4.885 124.828 119.800 0.237 0.000 2.275 415 Q HA 0.399 4.739 4.340 0.001 0.000 0.266 415 Q C -1.539 174.554 176.000 0.155 0.000 1.002 415 Q CA -0.730 55.202 55.803 0.214 0.000 0.761 415 Q CB 1.239 30.118 28.738 0.236 0.000 1.255 415 Q HN 0.521 nan 8.270 nan 0.000 0.446 416 N N 4.029 122.834 118.700 0.174 0.000 2.482 416 N HA 0.055 4.795 4.740 0.001 0.000 0.242 416 N C 1.040 176.556 175.510 0.010 0.000 1.100 416 N CA 0.137 53.273 53.050 0.143 0.000 0.946 416 N CB 1.574 40.193 38.487 0.221 0.000 1.227 416 N HN 0.584 nan 8.380 nan 0.000 0.508 417 V N -0.051 119.769 119.914 -0.156 0.000 2.548 417 V HA -0.154 3.966 4.120 0.001 0.000 0.249 417 V C 1.533 177.506 176.094 -0.203 0.000 1.055 417 V CA 1.271 63.426 62.300 -0.241 0.000 1.065 417 V CB -0.391 31.058 31.823 -0.623 0.000 0.681 417 V HN 0.387 nan 8.190 nan 0.000 0.462 418 D N 0.079 120.342 120.400 -0.229 0.000 2.084 418 D HA -0.245 4.395 4.640 0.001 0.000 0.194 418 D C 1.969 178.292 176.300 0.038 0.000 0.990 418 D CA 2.065 55.997 54.000 -0.114 0.000 0.826 418 D CB -0.898 39.852 40.800 -0.084 0.000 0.971 418 D HN 0.492 nan 8.370 nan 0.000 0.453 419 H N 0.291 119.363 119.070 0.002 0.000 2.319 419 H HA -0.061 4.495 4.556 0.001 0.000 0.297 419 H C 2.396 177.741 175.328 0.028 0.000 1.097 419 H CA 0.956 56.995 56.048 -0.016 0.000 1.285 419 H CB -1.082 28.643 29.762 -0.061 0.000 1.368 419 H HN 0.286 nan 8.280 nan 0.000 0.495 420 C N 0.834 120.223 119.300 0.148 0.000 2.409 420 C HA -0.076 4.384 4.460 0.001 0.000 0.288 420 C C 2.285 177.326 174.990 0.085 0.000 1.395 420 C CA 0.773 59.848 59.018 0.095 0.000 1.792 420 C CB -0.653 27.126 27.740 0.065 0.000 1.847 420 C HN 0.582 nan 8.230 nan 0.000 0.534 421 N N -0.552 118.196 118.700 0.080 0.000 2.460 421 N HA -0.044 4.696 4.740 0.001 0.000 0.193 421 N C 1.916 177.468 175.510 0.071 0.000 1.080 421 N CA 1.458 54.553 53.050 0.075 0.000 0.869 421 N CB -0.335 38.191 38.487 0.065 0.000 1.201 421 N HN 0.636 nan 8.380 nan 0.000 0.457 422 T N -1.832 112.770 114.554 0.080 0.000 2.995 422 T HA -0.095 4.255 4.350 0.001 0.000 0.269 422 T C 0.745 175.501 174.700 0.094 0.000 1.091 422 T CA 1.107 63.248 62.100 0.069 0.000 1.128 422 T CB -0.203 68.704 68.868 0.064 0.000 0.891 422 T HN 0.094 nan 8.240 nan 0.000 0.492 423 H N 1.188 120.246 119.070 -0.019 0.000 2.340 423 H HA 0.634 5.191 4.556 0.001 0.000 0.233 423 H C -0.563 174.750 175.328 -0.025 0.000 1.435 423 H CA -0.742 55.275 56.048 -0.052 0.000 1.389 423 H CB 0.112 29.825 29.762 -0.082 0.000 1.491 423 H HN 0.390 nan 8.280 nan 0.000 0.518 424 S N 1.905 117.539 115.700 -0.109 0.000 2.651 424 S HA 0.446 4.916 4.470 0.001 0.000 0.279 424 S C -2.423 172.078 174.600 -0.166 0.000 1.148 424 S CA -1.398 56.736 58.200 -0.111 0.000 0.837 424 S CB 2.003 65.242 63.200 0.065 0.000 1.138 424 S HN 0.170 nan 8.310 nan 0.000 0.478 425 P HA 0.261 nan 4.420 nan 0.000 0.241 425 P C -0.498 176.491 177.300 -0.518 0.000 1.191 425 P CA 0.457 63.329 63.100 -0.381 0.000 0.771 425 P CB -0.251 31.247 31.700 -0.336 0.000 0.929 426 F N -0.005 119.936 119.950 -0.015 0.000 2.507 426 F HA 0.348 4.875 4.527 0.001 0.000 0.327 426 F C 0.830 176.611 175.800 -0.032 0.000 1.068 426 F CA -1.339 56.654 58.000 -0.012 0.000 0.965 426 F CB 0.702 39.705 39.000 0.004 0.000 1.192 426 F HN -0.332 nan 8.300 nan 0.000 0.476 427 D N 3.462 123.970 120.400 0.180 0.000 2.339 427 D HA 0.168 4.808 4.640 0.001 0.000 0.256 427 D C -1.809 174.546 176.300 0.091 0.000 1.214 427 D CA -1.986 52.066 54.000 0.087 0.000 0.877 427 D CB 1.588 42.415 40.800 0.045 0.000 1.111 427 D HN 0.111 nan 8.370 nan 0.000 0.478 428 P HA -0.054 nan 4.420 nan 0.000 0.220 428 P C 0.838 178.167 177.300 0.048 0.000 1.148 428 P CA 0.785 63.923 63.100 0.062 0.000 0.803 428 P CB 0.204 31.944 31.700 0.067 0.000 0.782 429 A N -1.009 121.835 122.820 0.040 0.000 2.014 429 A HA -0.057 4.263 4.320 0.001 0.000 0.218 429 A C 1.967 179.559 177.584 0.013 0.000 1.163 429 A CA 1.244 53.300 52.037 0.032 0.000 0.652 429 A CB -1.130 17.885 19.000 0.025 0.000 0.808 429 A HN 0.203 nan 8.150 nan 0.000 0.449 430 I N -2.803 117.770 120.570 0.006 0.000 3.883 430 I HA 0.320 4.490 4.170 0.001 0.000 0.305 430 I C 0.952 177.040 176.117 -0.049 0.000 1.247 430 I CA 0.830 62.116 61.300 -0.024 0.000 1.350 430 I CB 0.590 38.574 38.000 -0.026 0.000 1.194 430 I HN 0.156 nan 8.210 nan 0.000 0.441 431 A N 2.358 125.159 122.820 -0.032 0.000 3.307 431 A HA 0.480 4.800 4.320 0.001 0.000 0.289 431 A C -2.769 174.733 177.584 -0.138 0.000 1.138 431 A CA -0.869 51.102 52.037 -0.109 0.000 0.860 431 A CB -0.247 18.680 19.000 -0.122 0.000 1.318 431 A HN -0.109 nan 8.150 nan 0.000 0.551 432 P HA 0.317 nan 4.420 nan 0.000 0.274 432 P C -0.232 176.972 177.300 -0.160 0.000 1.246 432 P CA -0.054 63.004 63.100 -0.071 0.000 0.795 432 P CB 1.325 33.007 31.700 -0.030 0.000 1.006 433 V N 3.360 123.215 119.914 -0.097 0.000 2.328 433 V HA 0.294 4.415 4.120 0.001 0.000 0.278 433 V C 1.236 177.231 176.094 -0.165 0.000 1.021 433 V CA -0.144 62.073 62.300 -0.138 0.000 0.838 433 V CB 0.460 32.254 31.823 -0.049 0.000 0.999 433 V HN 0.491 nan 8.190 nan 0.000 0.447 434 R N 4.674 124.974 120.500 -0.333 0.000 2.748 434 R HA 0.354 4.695 4.340 0.001 0.000 0.395 434 R C -0.034 176.056 176.300 -0.349 0.000 1.128 434 R CA -0.164 55.577 56.100 -0.598 0.000 1.042 434 R CB 0.689 30.315 30.300 -1.123 0.000 1.392 434 R HN 0.914 nan 8.270 nan 0.000 0.582 435 Q N -1.992 117.607 119.800 -0.334 0.000 3.083 435 Q HA 0.212 4.552 4.340 0.001 0.000 0.310 435 Q C -1.802 173.766 176.000 -0.718 0.000 0.880 435 Q CA -0.666 54.730 55.803 -0.679 0.000 0.809 435 Q CB 0.817 29.182 28.738 -0.623 0.000 1.596 435 Q HN 0.001 nan 8.270 nan 0.000 0.487 436 S N -0.100 114.857 115.700 -1.237 0.000 2.921 436 S HA 0.654 5.124 4.470 0.001 0.000 0.315 436 S C -1.096 173.340 174.600 -0.274 0.000 1.087 436 S CA -0.056 57.848 58.200 -0.494 0.000 0.877 436 S CB 1.126 64.237 63.200 -0.148 0.000 1.340 436 S HN 0.817 nan 8.310 nan 0.000 0.622 437 N N 0.513 119.202 118.700 -0.017 0.000 2.741 437 N HA 0.222 4.963 4.740 0.001 0.000 0.310 437 N C 1.026 176.621 175.510 0.141 0.000 1.295 437 N CA -0.624 52.454 53.050 0.047 0.000 0.893 437 N CB -0.239 38.225 38.487 -0.038 0.000 1.247 437 N HN 0.494 nan 8.380 nan 0.000 0.596 438 L N 0.956 122.218 121.223 0.066 0.000 1.991 438 L HA -0.188 4.152 4.340 0.001 0.000 0.221 438 L C 1.921 178.753 176.870 -0.064 0.000 1.079 438 L CA 2.108 56.975 54.840 0.046 0.000 0.778 438 L CB -1.031 41.041 42.059 0.021 0.000 0.893 438 L HN 0.854 nan 8.230 nan 0.000 0.437 439 C N -1.075 118.057 119.300 -0.280 0.000 2.396 439 C HA 0.396 4.857 4.460 0.001 0.000 0.334 439 C C 1.088 175.479 174.990 -0.997 0.000 1.313 439 C CA -1.176 57.294 59.018 -0.913 0.000 1.719 439 C CB -1.733 25.558 27.740 -0.749 0.000 1.893 439 C HN 0.511 nan 8.230 nan 0.000 0.589 440 L N -0.580 120.377 121.223 -0.443 0.000 3.739 440 L HA -0.306 4.035 4.340 0.001 0.000 0.442 440 L C 1.310 178.057 176.870 -0.204 0.000 1.241 440 L CA 1.077 55.785 54.840 -0.218 0.000 0.819 440 L CB -2.209 39.723 42.059 -0.212 0.000 1.679 440 L HN 0.770 nan 8.230 nan 0.000 0.889 441 A N -1.248 121.462 122.820 -0.183 0.000 2.141 441 A HA 0.343 4.663 4.320 0.001 0.000 0.201 441 A C 0.915 178.457 177.584 -0.071 0.000 1.344 441 A CA 0.014 51.975 52.037 -0.126 0.000 0.971 441 A CB 0.647 19.558 19.000 -0.148 0.000 1.035 441 A HN 0.221 nan 8.150 nan 0.000 0.480 442 I N 0.957 121.483 120.570 -0.073 0.000 2.472 442 I HA 0.533 4.703 4.170 0.001 0.000 0.290 442 I C 0.245 176.329 176.117 -0.054 0.000 1.016 442 I CA -0.309 60.961 61.300 -0.049 0.000 1.348 442 I CB 0.917 38.885 38.000 -0.054 0.000 1.417 442 I HN 0.233 nan 8.210 nan 0.000 0.521 443 A N 8.235 131.044 122.820 -0.017 0.000 2.651 443 A HA 0.775 5.095 4.320 0.001 0.000 0.290 443 A C -0.879 176.713 177.584 0.013 0.000 1.185 443 A CA -0.393 51.630 52.037 -0.023 0.000 0.746 443 A CB 0.648 19.651 19.000 0.005 0.000 1.213 443 A HN 0.613 nan 8.150 nan 0.000 0.429 444 L N 1.600 122.776 121.223 -0.079 0.000 2.415 444 L HA 0.578 4.918 4.340 0.001 0.000 0.256 444 L C -2.707 173.996 176.870 -0.279 0.000 1.010 444 L CA -2.502 52.247 54.840 -0.151 0.000 0.826 444 L CB 2.686 44.702 42.059 -0.071 0.000 1.405 444 L HN 0.300 nan 8.230 nan 0.000 0.410 445 P HA 0.209 nan 4.420 nan 0.000 0.268 445 P C -1.022 176.158 177.300 -0.200 0.000 1.205 445 P CA -0.120 62.752 63.100 -0.380 0.000 0.771 445 P CB 0.756 32.159 31.700 -0.495 0.000 0.858 446 T N -0.442 114.015 114.554 -0.161 0.000 2.923 446 T HA 0.665 5.016 4.350 0.001 0.000 0.311 446 T C -0.934 173.720 174.700 -0.078 0.000 1.183 446 T CA -1.088 60.952 62.100 -0.100 0.000 1.020 446 T CB 1.668 70.469 68.868 -0.112 0.000 1.165 446 T HN 0.125 nan 8.240 nan 0.000 0.482 447 K N 2.023 122.399 120.400 -0.039 0.000 2.378 447 K HA 0.626 4.946 4.320 0.001 0.000 0.252 447 K C -2.953 173.640 176.600 -0.012 0.000 0.931 447 K CA -2.335 53.935 56.287 -0.029 0.000 0.794 447 K CB 2.142 34.628 32.500 -0.023 0.000 1.181 447 K HN 0.344 nan 8.250 nan 0.000 0.425 448 P HA 0.018 nan 4.420 nan 0.000 0.267 448 P C -0.910 176.398 177.300 0.014 0.000 1.200 448 P CA -0.353 62.748 63.100 0.002 0.000 0.772 448 P CB 0.449 32.152 31.700 0.004 0.000 0.855 449 L N 3.100 124.338 121.223 0.025 0.000 2.360 449 L HA 0.351 4.692 4.340 0.001 0.000 0.271 449 L C 1.499 178.391 176.870 0.036 0.000 1.057 449 L CA 0.377 55.237 54.840 0.033 0.000 0.803 449 L CB 0.365 42.449 42.059 0.042 0.000 1.207 449 L HN 0.278 nan 8.230 nan 0.000 0.445 450 N N 0.426 119.147 118.700 0.035 0.000 2.205 450 N HA 0.087 4.827 4.740 0.001 0.000 0.201 450 N C -0.718 174.816 175.510 0.039 0.000 1.128 450 N CA 0.293 53.365 53.050 0.036 0.000 0.867 450 N CB 0.784 39.288 38.487 0.028 0.000 0.996 450 N HN 0.692 nan 8.380 nan 0.000 0.503 451 D N -1.144 119.280 120.400 0.041 0.000 2.683 451 D HA -0.032 4.608 4.640 0.001 0.000 0.246 451 D C 0.443 176.769 176.300 0.043 0.000 1.238 451 D CA -0.445 53.580 54.000 0.042 0.000 0.759 451 D CB 1.506 42.327 40.800 0.035 0.000 1.349 451 D HN -0.249 nan 8.370 nan 0.000 0.426 452 V N 2.407 122.347 119.914 0.044 0.000 2.392 452 V HA -0.137 3.983 4.120 0.001 0.000 0.249 452 V C 1.180 177.296 176.094 0.036 0.000 1.059 452 V CA 1.736 64.061 62.300 0.042 0.000 1.051 452 V CB -0.455 31.390 31.823 0.037 0.000 0.658 452 V HN 0.494 nan 8.190 nan 0.000 0.455 453 N N 0.594 119.312 118.700 0.030 0.000 2.276 453 N HA 0.048 4.788 4.740 0.001 0.000 0.212 453 N C 0.129 175.657 175.510 0.030 0.000 1.127 453 N CA 0.026 53.092 53.050 0.028 0.000 0.834 453 N CB -0.221 38.279 38.487 0.021 0.000 1.014 453 N HN 0.532 nan 8.380 nan 0.000 0.491 454 D N 1.814 122.234 120.400 0.034 0.000 2.472 454 D HA -0.065 4.576 4.640 0.001 0.000 0.248 454 D C 0.884 177.206 176.300 0.037 0.000 1.174 454 D CA 0.412 54.432 54.000 0.033 0.000 0.883 454 D CB 0.921 41.741 40.800 0.034 0.000 1.149 454 D HN 0.102 nan 8.370 nan 0.000 0.488 455 E N 2.941 123.162 120.200 0.035 0.000 2.435 455 E HA -0.063 4.288 4.350 0.001 0.000 0.195 455 E C 0.478 177.109 176.600 0.052 0.000 1.029 455 E CA 0.367 56.792 56.400 0.042 0.000 0.865 455 E CB -0.006 29.716 29.700 0.038 0.000 0.833 455 E HN 0.563 nan 8.360 nan 0.000 0.510 456 N N 0.302 119.026 118.700 0.039 0.000 2.235 456 N HA 0.090 4.831 4.740 0.001 0.000 0.209 456 N C 0.434 175.962 175.510 0.030 0.000 1.122 456 N CA -0.127 52.942 53.050 0.031 0.000 0.845 456 N CB 1.014 39.509 38.487 0.012 0.000 1.004 456 N HN -0.029 nan 8.380 nan 0.000 0.499 457 G N 0.198 109.023 108.800 0.041 0.000 2.477 457 G HA2 0.389 4.349 3.960 0.001 0.000 0.304 457 G HA3 0.389 4.349 3.960 0.001 0.000 0.304 457 G C -0.943 173.993 174.900 0.059 0.000 1.175 457 G CA -0.273 44.850 45.100 0.038 0.000 0.907 457 G HN 0.107 nan 8.290 nan 0.000 0.509 458 E N -0.061 120.168 120.200 0.048 0.000 2.263 458 E HA 0.453 4.804 4.350 0.001 0.000 0.268 458 E C -1.173 175.447 176.600 0.034 0.000 0.884 458 E CA -0.569 55.871 56.400 0.066 0.000 0.766 458 E CB 1.769 31.519 29.700 0.084 0.000 1.196 458 E HN 0.326 nan 8.360 nan 0.000 0.416 459 I N 3.121 123.717 120.570 0.043 0.000 2.404 459 I HA 0.472 4.642 4.170 0.001 0.000 0.293 459 I C 0.000 176.119 176.117 0.003 0.000 0.992 459 I CA -0.631 60.681 61.300 0.020 0.000 1.149 459 I CB 1.800 39.836 38.000 0.060 0.000 1.315 459 I HN 0.561 nan 8.210 nan 0.000 0.446 460 A N 7.429 130.227 122.820 -0.036 0.000 2.316 460 A HA 0.807 5.127 4.320 0.001 0.000 0.284 460 A C -0.541 177.012 177.584 -0.052 0.000 1.115 460 A CA -0.269 51.745 52.037 -0.038 0.000 0.812 460 A CB 0.616 19.577 19.000 -0.065 0.000 1.064 460 A HN 0.693 nan 8.150 nan 0.000 0.489 461 L N 0.055 121.266 121.223 -0.021 0.000 2.256 461 L HA 0.448 4.788 4.340 0.001 0.000 0.261 461 L C -0.819 176.039 176.870 -0.019 0.000 1.022 461 L CA -0.839 53.983 54.840 -0.030 0.000 0.828 461 L CB 2.151 44.236 42.059 0.044 0.000 1.374 461 L HN 0.651 nan 8.230 nan 0.000 0.436 462 c N 0.696 119.282 118.600 -0.024 0.000 2.206 462 c HA 0.384 4.955 4.570 0.001 0.000 0.324 462 c C 0.247 174.342 174.090 0.008 0.000 1.120 462 c CA -0.545 55.776 56.329 -0.013 0.000 1.546 462 c CB -0.211 42.284 42.510 -0.026 0.000 2.023 462 c HN 0.563 nan 8.230 nan 0.000 0.448 463 T N 5.590 120.153 114.554 0.015 0.000 2.832 463 T HA 0.501 4.852 4.350 0.001 0.000 0.313 463 T C -0.043 174.656 174.700 -0.001 0.000 1.035 463 T CA -0.039 62.071 62.100 0.016 0.000 0.950 463 T CB 0.095 68.978 68.868 0.025 0.000 0.984 463 T HN 0.416 nan 8.240 nan 0.000 0.486 464 L N 1.594 122.814 121.223 -0.004 0.000 2.313 464 L HA 0.933 5.273 4.340 0.001 0.000 0.268 464 L C 0.396 177.249 176.870 -0.028 0.000 1.010 464 L CA -0.886 53.944 54.840 -0.017 0.000 0.814 464 L CB 1.863 43.918 42.059 -0.007 0.000 1.304 464 L HN 0.504 nan 8.230 nan 0.000 0.441 465 S N -0.681 114.982 115.700 -0.061 0.000 2.645 465 S HA 0.812 5.282 4.470 0.001 0.000 0.268 465 S C -1.928 172.562 174.600 -0.183 0.000 1.110 465 S CA -0.173 57.970 58.200 -0.096 0.000 0.823 465 S CB 1.831 64.963 63.200 -0.112 0.000 1.091 465 S HN 0.942 nan 8.310 nan 0.000 0.466 466 A N 1.179 123.872 122.820 -0.211 0.000 2.594 466 A HA 0.816 5.136 4.320 0.001 0.000 0.295 466 A C -1.926 175.496 177.584 -0.271 0.000 1.071 466 A CA -0.557 51.323 52.037 -0.261 0.000 0.685 466 A CB 0.685 19.645 19.000 -0.066 0.000 1.285 466 A HN 0.496 nan 8.150 nan 0.000 0.405 467 F N 1.591 121.539 119.950 -0.003 0.000 2.396 467 F HA 0.365 4.893 4.527 0.001 0.000 0.343 467 F C 0.937 176.735 175.800 -0.004 0.000 1.104 467 F CA -0.702 57.282 58.000 -0.028 0.000 1.161 467 F CB 1.038 39.993 39.000 -0.074 0.000 1.146 467 F HN 0.581 nan 8.300 nan 0.000 0.522 468 N N 4.019 122.839 118.700 0.200 0.000 2.482 468 N HA 0.110 4.851 4.740 0.001 0.000 0.242 468 N C 0.739 176.335 175.510 0.143 0.000 1.100 468 N CA 0.119 53.266 53.050 0.161 0.000 0.946 468 N CB 0.349 38.930 38.487 0.156 0.000 1.227 468 N HN 0.685 nan 8.380 nan 0.000 0.508 469 L N 2.009 123.295 121.223 0.105 0.000 2.349 469 L HA -0.043 4.297 4.340 0.001 0.000 0.220 469 L C 2.128 179.146 176.870 0.247 0.000 1.130 469 L CA 1.132 55.974 54.840 0.004 0.000 0.791 469 L CB -0.228 41.628 42.059 -0.339 0.000 0.918 469 L HN 0.548 nan 8.230 nan 0.000 0.444 470 G N -0.568 108.438 108.800 0.344 0.000 2.511 470 G HA2 -0.025 3.936 3.960 0.001 0.000 0.217 470 G HA3 -0.025 3.936 3.960 0.001 0.000 0.217 470 G C 1.486 176.587 174.900 0.336 0.000 1.133 470 G CA 0.625 46.023 45.100 0.497 0.000 0.792 470 G HN 0.448 nan 8.290 nan 0.000 0.539 471 A N 0.001 122.950 122.820 0.214 0.000 2.348 471 A HA 0.559 4.879 4.320 0.001 0.000 0.224 471 A C 0.942 178.581 177.584 0.093 0.000 1.227 471 A CA -0.291 51.834 52.037 0.147 0.000 0.885 471 A CB -0.257 18.820 19.000 0.128 0.000 0.933 471 A HN 0.519 nan 8.150 nan 0.000 0.506 472 I N -4.184 116.445 120.570 0.099 0.000 2.566 472 I HA 0.451 4.621 4.170 0.001 0.000 0.303 472 I C 0.499 176.663 176.117 0.078 0.000 0.983 472 I CA -0.860 60.468 61.300 0.047 0.000 1.235 472 I CB 0.868 38.868 38.000 -0.000 0.000 1.386 472 I HN -0.114 nan 8.210 nan 0.000 0.494 473 N N 2.761 121.483 118.700 0.037 0.000 2.349 473 N HA 0.028 4.769 4.740 0.001 0.000 0.180 473 N C -0.281 175.262 175.510 0.055 0.000 1.024 473 N CA 0.683 53.757 53.050 0.040 0.000 0.869 473 N CB -0.261 38.227 38.487 0.001 0.000 1.022 473 N HN 0.882 nan 8.380 nan 0.000 0.433 474 N N -0.932 117.785 118.700 0.028 0.000 2.405 474 N HA 0.317 5.057 4.740 0.001 0.000 0.285 474 N C 0.218 175.742 175.510 0.024 0.000 1.262 474 N CA -0.652 52.421 53.050 0.039 0.000 0.773 474 N CB 1.603 40.099 38.487 0.015 0.000 1.490 474 N HN -0.235 nan 8.380 nan 0.000 0.486 475 L N -0.390 120.863 121.223 0.049 0.000 2.362 475 L HA -0.063 4.278 4.340 0.001 0.000 0.219 475 L C 0.646 177.566 176.870 0.082 0.000 1.134 475 L CA 0.852 55.721 54.840 0.048 0.000 0.807 475 L CB -0.402 41.716 42.059 0.098 0.000 0.927 475 L HN 0.683 nan 8.230 nan 0.000 0.447 476 D N 0.286 120.727 120.400 0.068 0.000 2.363 476 D HA -0.105 4.536 4.640 0.001 0.000 0.220 476 D C 1.547 177.737 176.300 -0.183 0.000 0.994 476 D CA 0.641 54.647 54.000 0.011 0.000 0.890 476 D CB 0.132 40.967 40.800 0.059 0.000 0.906 476 D HN 0.523 nan 8.370 nan 0.000 0.530 477 E N 0.198 120.303 120.200 -0.159 0.000 2.482 477 E HA 0.022 4.372 4.350 0.001 0.000 0.196 477 E C 1.919 178.337 176.600 -0.303 0.000 1.047 477 E CA -0.003 56.277 56.400 -0.199 0.000 0.869 477 E CB 0.181 29.799 29.700 -0.136 0.000 0.836 477 E HN 0.296 nan 8.360 nan 0.000 0.520 478 L N 0.971 121.960 121.223 -0.390 0.000 2.240 478 L HA -0.109 4.232 4.340 0.001 0.000 0.211 478 L C 2.590 179.079 176.870 -0.636 0.000 1.106 478 L CA 0.835 55.364 54.840 -0.519 0.000 0.793 478 L CB -0.176 41.634 42.059 -0.415 0.000 0.927 478 L HN 0.180 nan 8.230 nan 0.000 0.446 479 E N 0.664 120.223 120.200 -1.069 0.000 2.058 479 E HA -0.311 4.039 4.350 0.001 0.000 0.194 479 E C 2.005 178.376 176.600 -0.381 0.000 0.997 479 E CA 1.650 57.474 56.400 -0.960 0.000 0.801 479 E CB 0.157 29.209 29.700 -1.080 0.000 0.746 479 E HN 0.349 nan 8.360 nan 0.000 0.450 480 E N 0.546 120.563 120.200 -0.304 0.000 2.072 480 E HA -0.136 4.214 4.350 0.001 0.000 0.191 480 E C 2.095 178.645 176.600 -0.083 0.000 0.985 480 E CA 1.203 57.507 56.400 -0.159 0.000 0.801 480 E CB -0.275 29.334 29.700 -0.150 0.000 0.750 480 E HN 0.389 nan 8.360 nan 0.000 0.452 481 L N -0.038 121.118 121.223 -0.113 0.000 2.093 481 L HA -0.054 4.287 4.340 0.001 0.000 0.208 481 L C 2.563 179.560 176.870 0.212 0.000 1.085 481 L CA 0.990 55.851 54.840 0.035 0.000 0.755 481 L CB -0.678 41.386 42.059 0.008 0.000 0.904 481 L HN 0.200 nan 8.230 nan 0.000 0.435 482 A N 0.736 123.610 122.820 0.089 0.000 1.883 482 A HA -0.198 4.122 4.320 0.001 0.000 0.217 482 A C 2.245 179.930 177.584 0.169 0.000 1.186 482 A CA 1.601 53.775 52.037 0.228 0.000 0.624 482 A CB -0.701 18.356 19.000 0.095 0.000 0.822 482 A HN 0.311 nan 8.150 nan 0.000 0.444 483 I N -0.563 120.065 120.570 0.095 0.000 2.087 483 I HA -0.307 3.863 4.170 0.001 0.000 0.240 483 I C 2.317 178.560 176.117 0.210 0.000 1.054 483 I CA 1.288 62.666 61.300 0.130 0.000 1.311 483 I CB -0.444 37.627 38.000 0.119 0.000 1.024 483 I HN 0.230 nan 8.210 nan 0.000 0.402 484 L N 0.630 122.000 121.223 0.245 0.000 2.012 484 L HA -0.197 4.143 4.340 0.001 0.000 0.210 484 L C 2.747 179.876 176.870 0.432 0.000 1.073 484 L CA 2.260 57.334 54.840 0.391 0.000 0.748 484 L CB -1.870 40.404 42.059 0.359 0.000 0.891 484 L HN 0.273 nan 8.230 nan 0.000 0.431 485 A N -0.738 122.265 122.820 0.305 0.000 1.858 485 A HA -0.161 4.159 4.320 0.001 0.000 0.216 485 A C 2.439 180.100 177.584 0.128 0.000 1.190 485 A CA 2.065 54.227 52.037 0.210 0.000 0.617 485 A CB -0.957 18.067 19.000 0.039 0.000 0.827 485 A HN 0.212 nan 8.150 nan 0.000 0.443 486 V N -0.171 119.810 119.914 0.112 0.000 2.295 486 V HA -0.292 3.828 4.120 0.001 0.000 0.246 486 V C 2.655 178.758 176.094 0.015 0.000 1.049 486 V CA 2.408 64.737 62.300 0.049 0.000 1.024 486 V CB -0.882 30.969 31.823 0.046 0.000 0.648 486 V HN 0.522 nan 8.190 nan 0.000 0.447 487 R N 0.073 120.606 120.500 0.055 0.000 2.083 487 R HA -0.143 4.197 4.340 0.001 0.000 0.237 487 R C 2.457 178.602 176.300 -0.260 0.000 1.137 487 R CA 1.662 57.751 56.100 -0.018 0.000 0.951 487 R CB -0.743 29.617 30.300 0.100 0.000 0.851 487 R HN 0.541 nan 8.270 nan 0.000 0.434 488 A N 0.830 123.482 122.820 -0.280 0.000 1.908 488 A HA -0.154 4.166 4.320 0.001 0.000 0.218 488 A C 2.151 179.505 177.584 -0.385 0.000 1.181 488 A CA 1.277 52.952 52.037 -0.604 0.000 0.627 488 A CB -0.561 18.146 19.000 -0.488 0.000 0.818 488 A HN 0.208 nan 8.150 nan 0.000 0.445 489 L N -1.059 120.057 121.223 -0.180 0.000 2.027 489 L HA -0.179 4.161 4.340 0.001 0.000 0.206 489 L C 2.419 179.218 176.870 -0.119 0.000 1.074 489 L CA 1.789 56.554 54.840 -0.125 0.000 0.745 489 L CB -0.635 41.389 42.059 -0.059 0.000 0.898 489 L HN 0.422 nan 8.230 nan 0.000 0.433 490 D N -0.051 120.283 120.400 -0.110 0.000 2.133 490 D HA -0.218 4.422 4.640 0.001 0.000 0.195 490 D C 2.128 178.363 176.300 -0.107 0.000 0.997 490 D CA 1.450 55.398 54.000 -0.087 0.000 0.840 490 D CB 0.150 40.906 40.800 -0.074 0.000 0.947 490 D HN 0.299 nan 8.370 nan 0.000 0.452 491 A N -0.105 122.596 122.820 -0.199 0.000 1.877 491 A HA -0.121 4.199 4.320 0.001 0.000 0.216 491 A C 2.140 179.641 177.584 -0.138 0.000 1.186 491 A CA 1.346 53.257 52.037 -0.209 0.000 0.620 491 A CB -0.955 17.779 19.000 -0.442 0.000 0.822 491 A HN 0.379 nan 8.150 nan 0.000 0.443 492 L N 0.013 121.121 121.223 -0.192 0.000 2.013 492 L HA -0.190 4.150 4.340 0.001 0.000 0.212 492 L C 2.322 179.223 176.870 0.050 0.000 1.073 492 L CA 1.821 56.594 54.840 -0.112 0.000 0.753 492 L CB -0.543 41.411 42.059 -0.175 0.000 0.890 492 L HN 0.439 nan 8.230 nan 0.000 0.432 493 L N -0.475 120.776 121.223 0.047 0.000 2.034 493 L HA -0.320 4.020 4.340 0.001 0.000 0.217 493 L C 2.050 179.039 176.870 0.198 0.000 1.077 493 L CA 1.887 56.809 54.840 0.137 0.000 0.769 493 L CB -0.867 41.235 42.059 0.072 0.000 0.890 493 L HN 0.414 nan 8.230 nan 0.000 0.435 494 D N -2.125 118.351 120.400 0.126 0.000 2.333 494 D HA -0.131 4.509 4.640 0.001 0.000 0.208 494 D C 1.817 178.223 176.300 0.175 0.000 0.984 494 D CA 0.629 54.710 54.000 0.136 0.000 0.873 494 D CB 0.054 40.896 40.800 0.069 0.000 0.935 494 D HN 0.328 nan 8.370 nan 0.000 0.521 495 Y N 2.090 122.409 120.300 0.033 0.000 2.243 495 Y HA -0.072 4.479 4.550 0.001 0.000 0.293 495 Y C 1.265 177.222 175.900 0.095 0.000 1.124 495 Y CA 0.724 58.847 58.100 0.038 0.000 1.159 495 Y CB 0.095 38.537 38.460 -0.031 0.000 1.008 495 Y HN -0.053 nan 8.280 nan 0.000 0.527 496 Q N 0.586 120.512 119.800 0.209 0.000 2.318 496 Q HA 0.236 4.576 4.340 0.001 0.000 0.222 496 Q C -1.064 174.837 176.000 -0.166 0.000 1.003 496 Q CA -0.695 55.167 55.803 0.099 0.000 0.936 496 Q CB 0.815 29.668 28.738 0.191 0.000 1.204 496 Q HN 0.092 nan 8.270 nan 0.000 0.524 497 D N -0.062 120.171 120.400 -0.278 0.000 2.217 497 D HA 0.302 4.942 4.640 0.001 0.000 0.248 497 D C -1.381 174.637 176.300 -0.470 0.000 1.008 497 D CA -0.267 53.578 54.000 -0.258 0.000 0.914 497 D CB 0.801 41.496 40.800 -0.175 0.000 1.182 497 D HN 0.411 nan 8.370 nan 0.000 0.451 498 Y N 1.234 121.528 120.300 -0.011 0.000 2.345 498 Y HA 0.245 4.796 4.550 0.001 0.000 0.331 498 Y C -1.178 174.691 175.900 -0.052 0.000 0.959 498 Y CA -1.573 56.530 58.100 0.006 0.000 1.204 498 Y CB 1.534 40.013 38.460 0.031 0.000 1.135 498 Y HN 0.238 nan 8.280 nan 0.000 0.477 499 P HA -0.081 nan 4.420 nan 0.000 0.218 499 P C -0.012 177.228 177.300 -0.099 0.000 1.149 499 P CA 1.464 64.468 63.100 -0.160 0.000 0.817 499 P CB 0.870 32.324 31.700 -0.410 0.000 0.785 500 I N -0.289 120.272 120.570 -0.016 0.000 2.466 500 I HA 0.224 4.394 4.170 0.001 0.000 0.289 500 I C -1.755 174.416 176.117 0.090 0.000 1.026 500 I CA -2.881 58.441 61.300 0.037 0.000 1.078 500 I CB 1.437 39.486 38.000 0.082 0.000 1.249 500 I HN -0.296 nan 8.210 nan 0.000 0.429 501 P HA -0.253 nan 4.420 nan 0.000 0.219 501 P C 1.523 178.847 177.300 0.040 0.000 1.161 501 P CA 2.263 65.387 63.100 0.040 0.000 0.909 501 P CB 0.335 32.054 31.700 0.032 0.000 0.793 502 A N -0.965 121.892 122.820 0.062 0.000 2.076 502 A HA -0.080 4.240 4.320 0.001 0.000 0.220 502 A C 2.223 179.849 177.584 0.069 0.000 1.160 502 A CA 1.973 54.050 52.037 0.067 0.000 0.653 502 A CB -1.316 17.728 19.000 0.073 0.000 0.801 502 A HN 0.255 nan 8.150 nan 0.000 0.455 503 A N -0.508 122.378 122.820 0.110 0.000 1.943 503 A HA 0.063 4.384 4.320 0.001 0.000 0.213 503 A C 2.021 179.589 177.584 -0.026 0.000 1.181 503 A CA 1.477 53.604 52.037 0.151 0.000 0.653 503 A CB -0.281 18.941 19.000 0.370 0.000 0.833 503 A HN 0.489 nan 8.150 nan 0.000 0.451 504 K N -0.170 120.111 120.400 -0.198 0.000 2.002 504 K HA -0.140 4.180 4.320 0.001 0.000 0.209 504 K C 2.301 178.648 176.600 -0.421 0.000 1.048 504 K CA 1.267 57.134 56.287 -0.699 0.000 0.930 504 K CB -0.195 32.028 32.500 -0.462 0.000 0.714 504 K HN 0.277 nan 8.250 nan 0.000 0.438 505 R N -0.353 120.032 120.500 -0.191 0.000 2.112 505 R HA -0.171 4.169 4.340 0.001 0.000 0.242 505 R C 2.378 178.536 176.300 -0.237 0.000 1.137 505 R CA 1.953 57.981 56.100 -0.120 0.000 0.944 505 R CB -0.945 29.404 30.300 0.082 0.000 0.857 505 R HN 0.484 nan 8.270 nan 0.000 0.435 506 G N 0.028 108.754 108.800 -0.123 0.000 2.402 506 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 506 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 506 G C 1.557 176.330 174.900 -0.212 0.000 1.162 506 G CA 0.865 45.898 45.100 -0.113 0.000 0.777 506 G HN 0.457 nan 8.290 nan 0.000 0.539 507 A N 0.676 123.370 122.820 -0.210 0.000 1.873 507 A HA 0.051 4.372 4.320 0.001 0.000 0.215 507 A C 2.423 179.857 177.584 -0.251 0.000 1.186 507 A CA 1.966 53.904 52.037 -0.165 0.000 0.616 507 A CB -0.314 18.637 19.000 -0.083 0.000 0.823 507 A HN 0.285 nan 8.150 nan 0.000 0.442 508 M N -0.394 118.983 119.600 -0.371 0.000 2.254 508 M HA -0.036 4.445 4.480 0.001 0.000 0.265 508 M C 2.264 178.252 176.300 -0.520 0.000 1.066 508 M CA 1.307 56.393 55.300 -0.357 0.000 1.123 508 M CB -1.835 30.570 32.600 -0.325 0.000 1.388 508 M HN 0.466 nan 8.290 nan 0.000 0.425 509 G N 1.350 109.623 108.800 -0.878 0.000 2.414 509 G HA2 -0.188 3.772 3.960 0.001 0.000 0.215 509 G HA3 -0.188 3.772 3.960 0.001 0.000 0.215 509 G C 1.674 176.079 174.900 -0.824 0.000 1.188 509 G CA 0.427 44.488 45.100 -1.732 0.000 0.783 509 G HN 0.532 nan 8.290 nan 0.000 0.537 510 R N -0.731 119.545 120.500 -0.374 0.000 2.404 510 R HA 0.316 4.657 4.340 0.001 0.000 0.237 510 R C 0.401 176.708 176.300 0.012 0.000 0.907 510 R CA -0.403 55.697 56.100 0.000 0.000 1.063 510 R CB 0.347 30.791 30.300 0.239 0.000 1.134 510 R HN 0.116 nan 8.270 nan 0.000 0.529 511 R N 2.205 122.666 120.500 -0.065 0.000 3.301 511 R HA -0.124 4.217 4.340 0.001 0.000 0.249 511 R C -0.628 175.681 176.300 0.016 0.000 0.964 511 R CA 1.185 57.266 56.100 -0.031 0.000 0.653 511 R CB -2.074 28.200 30.300 -0.044 0.000 1.043 511 R HN 0.432 nan 8.270 nan 0.000 0.454 512 T N -0.979 113.603 114.554 0.047 0.000 2.851 512 T HA 0.582 4.932 4.350 0.001 0.000 0.298 512 T C 0.681 175.409 174.700 0.047 0.000 0.977 512 T CA -0.675 61.472 62.100 0.078 0.000 1.126 512 T CB 1.548 70.494 68.868 0.130 0.000 0.916 512 T HN 0.222 nan 8.240 nan 0.000 0.529 513 L N 1.873 123.118 121.223 0.036 0.000 2.323 513 L HA 0.805 5.145 4.340 0.001 0.000 0.265 513 L C 0.546 177.428 176.870 0.020 0.000 1.012 513 L CA -1.285 53.565 54.840 0.017 0.000 0.820 513 L CB 2.301 44.359 42.059 -0.001 0.000 1.334 513 L HN 0.923 nan 8.230 nan 0.000 0.427 514 G N 2.281 111.083 108.800 0.004 0.000 3.164 514 G HA2 0.621 4.581 3.960 0.001 0.000 0.312 514 G HA3 0.621 4.581 3.960 0.001 0.000 0.312 514 G C -0.857 174.028 174.900 -0.026 0.000 1.530 514 G CA -0.164 44.938 45.100 0.002 0.000 1.079 514 G HN 0.338 nan 8.290 nan 0.000 0.527 515 I N 1.955 122.503 120.570 -0.036 0.000 2.392 515 I HA 0.701 4.871 4.170 0.001 0.000 0.295 515 I C 0.865 176.939 176.117 -0.072 0.000 0.985 515 I CA -0.482 60.747 61.300 -0.120 0.000 1.221 515 I CB 2.159 40.038 38.000 -0.202 0.000 1.366 515 I HN 0.480 nan 8.210 nan 0.000 0.467 516 G N 4.568 113.311 108.800 -0.096 0.000 3.058 516 G HA2 0.714 4.674 3.960 0.001 0.000 0.282 516 G HA3 0.714 4.674 3.960 0.001 0.000 0.282 516 G C -0.877 174.032 174.900 0.016 0.000 1.248 516 G CA -0.406 44.705 45.100 0.019 0.000 0.822 516 G HN 0.518 nan 8.290 nan 0.000 0.579 517 V N -1.600 118.370 119.914 0.094 0.000 3.096 517 V HA 0.911 5.032 4.120 0.001 0.000 0.319 517 V C -0.123 176.046 176.094 0.125 0.000 1.103 517 V CA -0.954 61.414 62.300 0.113 0.000 1.016 517 V CB 1.360 33.252 31.823 0.115 0.000 1.090 517 V HN 1.201 nan 8.190 nan 0.000 0.449 518 I N -2.076 118.586 120.570 0.153 0.000 3.102 518 I HA 0.625 4.796 4.170 0.001 0.000 0.310 518 I C 0.021 176.280 176.117 0.236 0.000 1.246 518 I CA -0.695 60.714 61.300 0.182 0.000 0.979 518 I CB 2.087 40.172 38.000 0.141 0.000 1.267 518 I HN 0.894 nan 8.210 nan 0.000 0.451 519 N N 0.313 119.182 118.700 0.282 0.000 2.850 519 N HA -0.245 4.495 4.740 0.001 0.000 0.249 519 N C 0.529 176.310 175.510 0.450 0.000 1.060 519 N CA 0.841 54.102 53.050 0.353 0.000 0.825 519 N CB -0.689 37.996 38.487 0.329 0.000 1.132 519 N HN 0.760 nan 8.380 nan 0.000 0.564 520 F N 1.332 121.444 119.950 0.270 0.000 2.091 520 F HA -0.155 4.373 4.527 0.001 0.000 0.299 520 F C 2.294 178.299 175.800 0.341 0.000 1.103 520 F CA 2.250 60.413 58.000 0.272 0.000 1.228 520 F CB -0.720 38.438 39.000 0.264 0.000 0.984 520 F HN 0.231 nan 8.300 nan 0.000 0.477 521 A N -0.777 122.291 122.820 0.413 0.000 1.883 521 A HA -0.285 4.035 4.320 0.001 0.000 0.217 521 A C 2.182 179.940 177.584 0.291 0.000 1.186 521 A CA 1.792 54.058 52.037 0.382 0.000 0.624 521 A CB -1.763 17.590 19.000 0.589 0.000 0.822 521 A HN 0.621 nan 8.150 nan 0.000 0.444 522 Y N -1.328 119.152 120.300 0.301 0.000 2.242 522 Y HA -0.239 4.312 4.550 0.001 0.000 0.291 522 Y C 2.164 178.117 175.900 0.088 0.000 1.137 522 Y CA 1.810 60.026 58.100 0.194 0.000 1.181 522 Y CB -0.615 38.028 38.460 0.305 0.000 0.989 522 Y HN 0.435 nan 8.280 nan 0.000 0.527 523 Y N 0.361 120.635 120.300 -0.043 0.000 2.128 523 Y HA -0.272 4.278 4.550 0.001 0.000 0.284 523 Y C 2.110 177.864 175.900 -0.243 0.000 1.154 523 Y CA 2.101 60.111 58.100 -0.151 0.000 1.149 523 Y CB -0.590 37.845 38.460 -0.042 0.000 0.976 523 Y HN 0.148 nan 8.280 nan 0.000 0.505 524 L N -0.425 120.600 121.223 -0.331 0.000 2.131 524 L HA -0.223 4.117 4.340 0.001 0.000 0.210 524 L C 2.690 179.356 176.870 -0.341 0.000 1.092 524 L CA 1.124 55.698 54.840 -0.443 0.000 0.759 524 L CB -0.995 40.708 42.059 -0.593 0.000 0.903 524 L HN 0.389 nan 8.230 nan 0.000 0.435 525 A N 0.450 123.047 122.820 -0.371 0.000 1.929 525 A HA -0.152 4.168 4.320 0.001 0.000 0.216 525 A C 2.270 179.593 177.584 -0.436 0.000 1.176 525 A CA 1.100 52.874 52.037 -0.437 0.000 0.628 525 A CB -0.215 18.328 19.000 -0.763 0.000 0.816 525 A HN 0.346 nan 8.150 nan 0.000 0.444 526 K N -0.389 119.691 120.400 -0.533 0.000 2.152 526 K HA -0.157 4.163 4.320 0.001 0.000 0.206 526 K C 1.068 177.367 176.600 -0.501 0.000 1.048 526 K CA 1.370 57.345 56.287 -0.521 0.000 0.933 526 K CB -0.464 31.681 32.500 -0.592 0.000 0.721 526 K HN 0.674 nan 8.250 nan 0.000 0.447 527 H N 0.113 118.915 119.070 -0.446 0.000 2.526 527 H HA 0.095 4.651 4.556 0.001 0.000 0.274 527 H C 0.710 175.874 175.328 -0.273 0.000 0.999 527 H CA 0.391 56.218 56.048 -0.367 0.000 1.157 527 H CB 0.394 29.878 29.762 -0.463 0.000 1.407 527 H HN 0.468 nan 8.280 nan 0.000 0.568 528 G N 2.260 110.948 108.800 -0.187 0.000 2.305 528 G HA2 -0.275 3.686 3.960 0.001 0.000 0.287 528 G HA3 -0.275 3.686 3.960 0.001 0.000 0.287 528 G C 0.178 175.010 174.900 -0.114 0.000 1.036 528 G CA 0.275 45.286 45.100 -0.149 0.000 0.887 528 G HN 0.234 nan 8.290 nan 0.000 0.505 529 K N -1.067 119.252 120.400 -0.135 0.000 2.245 529 K HA 0.809 5.130 4.320 0.001 0.000 0.234 529 K C 0.538 177.077 176.600 -0.102 0.000 1.021 529 K CA -0.791 55.426 56.287 -0.116 0.000 0.898 529 K CB 1.573 33.987 32.500 -0.143 0.000 1.163 529 K HN 0.264 nan 8.250 nan 0.000 0.459 530 R N -0.900 119.565 120.500 -0.060 0.000 2.855 530 R HA 0.301 4.641 4.340 0.001 0.000 0.266 530 R C 0.527 176.860 176.300 0.054 0.000 1.034 530 R CA -0.440 55.680 56.100 0.032 0.000 0.944 530 R CB 0.846 31.190 30.300 0.072 0.000 1.219 530 R HN 0.495 nan 8.270 nan 0.000 0.474 531 Y N -0.802 119.536 120.300 0.064 0.000 2.301 531 Y HA -0.064 4.487 4.550 0.001 0.000 0.295 531 Y C 2.194 178.155 175.900 0.101 0.000 1.119 531 Y CA 1.394 59.562 58.100 0.113 0.000 1.162 531 Y CB 0.275 38.844 38.460 0.181 0.000 1.046 531 Y HN 0.570 nan 8.280 nan 0.000 0.538 532 S N -0.657 115.191 115.700 0.247 0.000 2.527 532 S HA -0.073 4.397 4.470 0.001 0.000 0.222 532 S C 1.009 175.677 174.600 0.114 0.000 0.985 532 S CA 0.824 59.124 58.200 0.167 0.000 0.921 532 S CB -0.359 62.918 63.200 0.127 0.000 0.772 532 S HN 0.557 nan 8.310 nan 0.000 0.529 533 D N 0.188 120.643 120.400 0.092 0.000 2.360 533 D HA 0.296 4.936 4.640 0.001 0.000 0.210 533 D C 1.423 177.749 176.300 0.044 0.000 1.047 533 D CA 0.574 54.610 54.000 0.061 0.000 0.854 533 D CB -0.574 40.254 40.800 0.048 0.000 0.936 533 D HN 0.479 nan 8.370 nan 0.000 0.514 534 G N 0.407 109.232 108.800 0.041 0.000 2.157 534 G HA2 -0.351 3.609 3.960 0.001 0.000 0.248 534 G HA3 -0.351 3.609 3.960 0.001 0.000 0.248 534 G C 1.169 176.071 174.900 0.003 0.000 0.979 534 G CA 0.780 45.888 45.100 0.013 0.000 0.650 534 G HN 0.675 nan 8.290 nan 0.000 0.529 535 S N -0.734 114.969 115.700 0.005 0.000 2.507 535 S HA 0.423 4.894 4.470 0.001 0.000 0.235 535 S C 2.047 176.634 174.600 -0.022 0.000 0.988 535 S CA 1.274 59.469 58.200 -0.009 0.000 0.944 535 S CB 0.130 63.322 63.200 -0.013 0.000 0.762 535 S HN 1.719 nan 8.310 nan 0.000 0.526 536 A N 0.866 123.672 122.820 -0.024 0.000 2.390 536 A HA 0.373 4.693 4.320 0.001 0.000 0.232 536 A C 1.606 179.208 177.584 0.030 0.000 1.233 536 A CA -0.135 51.885 52.037 -0.028 0.000 0.907 536 A CB -0.277 18.667 19.000 -0.093 0.000 0.967 536 A HN 0.420 nan 8.150 nan 0.000 0.512 537 N N 1.730 120.441 118.700 0.018 0.000 2.025 537 N HA -0.170 4.571 4.740 0.001 0.000 0.194 537 N C 1.383 176.941 175.510 0.079 0.000 1.044 537 N CA 1.867 54.934 53.050 0.027 0.000 0.851 537 N CB -0.315 38.162 38.487 -0.017 0.000 1.036 537 N HN 0.449 nan 8.380 nan 0.000 0.422 538 N N 0.487 119.219 118.700 0.053 0.000 2.106 538 N HA -0.096 4.644 4.740 0.001 0.000 0.188 538 N C 1.756 177.351 175.510 0.141 0.000 1.029 538 N CA 0.420 53.517 53.050 0.078 0.000 0.848 538 N CB -0.640 37.863 38.487 0.027 0.000 1.007 538 N HN 0.159 nan 8.380 nan 0.000 0.423 539 L N 1.573 122.854 121.223 0.096 0.000 2.042 539 L HA -0.139 4.201 4.340 0.001 0.000 0.210 539 L C 1.922 178.926 176.870 0.224 0.000 1.076 539 L CA 1.812 56.715 54.840 0.104 0.000 0.749 539 L CB -1.315 40.739 42.059 -0.009 0.000 0.893 539 L HN 0.111 nan 8.230 nan 0.000 0.432 540 T N -1.190 113.526 114.554 0.269 0.000 2.684 540 T HA -0.259 4.091 4.350 0.001 0.000 0.267 540 T C 1.855 176.777 174.700 0.370 0.000 1.036 540 T CA 1.613 63.955 62.100 0.403 0.000 1.148 540 T CB -0.591 68.465 68.868 0.312 0.000 0.863 540 T HN 0.530 nan 8.240 nan 0.000 0.436 541 H N 1.461 120.645 119.070 0.191 0.000 2.353 541 H HA -0.051 4.505 4.556 0.001 0.000 0.298 541 H C 2.443 177.840 175.328 0.116 0.000 1.103 541 H CA 1.757 57.921 56.048 0.194 0.000 1.293 541 H CB -0.154 29.686 29.762 0.129 0.000 1.372 541 H HN 0.267 nan 8.280 nan 0.000 0.501 542 K N -0.277 120.309 120.400 0.310 0.000 2.057 542 K HA -0.097 4.223 4.320 0.001 0.000 0.207 542 K C 1.990 178.644 176.600 0.090 0.000 1.049 542 K CA 1.739 58.181 56.287 0.257 0.000 0.931 542 K CB 0.070 32.728 32.500 0.264 0.000 0.714 542 K HN 0.289 nan 8.250 nan 0.000 0.440 543 T N 0.190 114.794 114.554 0.082 0.000 2.951 543 T HA -0.046 4.304 4.350 0.001 0.000 0.268 543 T C 1.435 175.899 174.700 -0.394 0.000 1.073 543 T CA 0.975 63.011 62.100 -0.108 0.000 1.134 543 T CB -0.151 68.676 68.868 -0.068 0.000 0.884 543 T HN 0.130 nan 8.240 nan 0.000 0.479 544 F N 1.069 120.863 119.950 -0.259 0.000 2.473 544 F HA 0.222 4.749 4.527 0.001 0.000 0.294 544 F C 2.425 177.739 175.800 -0.811 0.000 1.103 544 F CA 0.191 57.980 58.000 -0.352 0.000 1.442 544 F CB -0.061 38.853 39.000 -0.142 0.000 1.097 544 F HN 0.128 nan 8.300 nan 0.000 0.547 545 E N 0.836 120.316 120.200 -1.200 0.000 2.051 545 E HA -0.222 4.128 4.350 0.001 0.000 0.192 545 E C 2.367 178.730 176.600 -0.395 0.000 0.991 545 E CA 1.182 56.906 56.400 -1.127 0.000 0.799 545 E CB -0.121 29.221 29.700 -0.596 0.000 0.748 545 E HN 0.305 nan 8.360 nan 0.000 0.449 546 A N 1.302 123.936 122.820 -0.310 0.000 1.883 546 A HA -0.191 4.129 4.320 0.001 0.000 0.217 546 A C 2.221 179.611 177.584 -0.323 0.000 1.186 546 A CA 1.573 53.378 52.037 -0.386 0.000 0.624 546 A CB -0.766 18.172 19.000 -0.103 0.000 0.822 546 A HN 0.335 nan 8.150 nan 0.000 0.444 547 I N -0.912 119.486 120.570 -0.286 0.000 2.118 547 I HA -0.327 3.843 4.170 0.001 0.000 0.241 547 I C 2.814 178.902 176.117 -0.047 0.000 1.070 547 I CA 2.049 63.231 61.300 -0.196 0.000 1.327 547 I CB -0.245 37.619 38.000 -0.226 0.000 1.034 547 I HN 0.405 nan 8.210 nan 0.000 0.405 548 Q N -0.089 119.720 119.800 0.015 0.000 2.119 548 Q HA -0.248 4.092 4.340 0.001 0.000 0.201 548 Q C 2.053 178.076 176.000 0.038 0.000 0.972 548 Q CA 1.707 57.612 55.803 0.171 0.000 0.847 548 Q CB -0.516 28.496 28.738 0.456 0.000 0.903 548 Q HN 0.582 nan 8.270 nan 0.000 0.433 549 Y N -0.547 119.558 120.300 -0.326 0.000 2.097 549 Y HA -0.306 4.245 4.550 0.001 0.000 0.282 549 Y C 1.518 177.066 175.900 -0.587 0.000 1.152 549 Y CA 2.055 59.672 58.100 -0.806 0.000 1.136 549 Y CB -0.519 37.133 38.460 -1.347 0.000 0.975 549 Y HN 0.174 nan 8.280 nan 0.000 0.498 550 Y N 0.114 120.174 120.300 -0.399 0.000 2.274 550 Y HA -0.209 4.342 4.550 0.001 0.000 0.290 550 Y C 2.361 178.103 175.900 -0.264 0.000 1.145 550 Y CA 1.356 59.233 58.100 -0.372 0.000 1.203 550 Y CB -0.889 37.416 38.460 -0.259 0.000 0.984 550 Y HN 0.188 nan 8.280 nan 0.000 0.533 551 L N -1.042 120.170 121.223 -0.018 0.000 2.027 551 L HA -0.231 4.110 4.340 0.001 0.000 0.206 551 L C 2.263 179.086 176.870 -0.078 0.000 1.074 551 L CA 1.178 56.033 54.840 0.024 0.000 0.745 551 L CB -0.715 41.404 42.059 0.099 0.000 0.898 551 L HN 0.195 nan 8.230 nan 0.000 0.433 552 L N -0.344 120.789 121.223 -0.150 0.000 2.046 552 L HA -0.240 4.100 4.340 0.001 0.000 0.208 552 L C 2.679 179.395 176.870 -0.257 0.000 1.077 552 L CA 1.333 56.053 54.840 -0.199 0.000 0.747 552 L CB -0.511 41.454 42.059 -0.157 0.000 0.896 552 L HN 0.238 nan 8.230 nan 0.000 0.432 553 K N 0.377 120.540 120.400 -0.394 0.000 2.032 553 K HA -0.204 4.116 4.320 0.001 0.000 0.209 553 K C 2.170 178.665 176.600 -0.175 0.000 1.048 553 K CA 1.452 57.529 56.287 -0.349 0.000 0.927 553 K CB -0.136 32.081 32.500 -0.472 0.000 0.712 553 K HN 0.267 nan 8.250 nan 0.000 0.441 554 A N 0.171 122.924 122.820 -0.111 0.000 1.902 554 A HA -0.157 4.163 4.320 0.001 0.000 0.217 554 A C 2.195 179.745 177.584 -0.057 0.000 1.181 554 A CA 2.118 54.127 52.037 -0.047 0.000 0.623 554 A CB -0.783 18.222 19.000 0.008 0.000 0.818 554 A HN 0.391 nan 8.150 nan 0.000 0.443 555 S N -0.609 115.041 115.700 -0.085 0.000 2.387 555 S HA -0.140 4.330 4.470 0.001 0.000 0.226 555 S C 2.044 176.566 174.600 -0.129 0.000 1.026 555 S CA 1.159 59.298 58.200 -0.100 0.000 0.972 555 S CB -0.545 62.581 63.200 -0.123 0.000 0.814 555 S HN 0.754 nan 8.310 nan 0.000 0.477 556 N N 0.259 118.873 118.700 -0.144 0.000 2.142 556 N HA -0.122 4.618 4.740 0.001 0.000 0.186 556 N C 1.434 176.864 175.510 -0.133 0.000 1.023 556 N CA 1.069 54.033 53.050 -0.143 0.000 0.852 556 N CB -0.072 38.334 38.487 -0.134 0.000 0.998 556 N HN 0.260 nan 8.380 nan 0.000 0.424 557 E N 1.062 121.192 120.200 -0.117 0.000 2.118 557 E HA -0.168 4.182 4.350 0.001 0.000 0.195 557 E C 1.888 178.442 176.600 -0.076 0.000 0.992 557 E CA 0.519 56.861 56.400 -0.097 0.000 0.804 557 E CB -0.365 29.300 29.700 -0.058 0.000 0.741 557 E HN 0.355 nan 8.360 nan 0.000 0.458 558 L N 0.202 121.385 121.223 -0.066 0.000 2.179 558 L HA 0.055 4.395 4.340 0.001 0.000 0.208 558 L C 2.044 178.865 176.870 -0.081 0.000 1.096 558 L CA 1.516 56.323 54.840 -0.056 0.000 0.779 558 L CB -0.537 41.496 42.059 -0.045 0.000 0.922 558 L HN 0.028 nan 8.230 nan 0.000 0.443 559 A N -0.655 122.101 122.820 -0.107 0.000 1.898 559 A HA -0.168 4.152 4.320 0.001 0.000 0.216 559 A C 2.263 179.799 177.584 -0.080 0.000 1.181 559 A CA 1.466 53.432 52.037 -0.118 0.000 0.620 559 A CB -0.398 18.490 19.000 -0.186 0.000 0.819 559 A HN 0.403 nan 8.150 nan 0.000 0.442 560 K N -0.418 119.930 120.400 -0.086 0.000 2.015 560 K HA -0.263 4.057 4.320 0.001 0.000 0.216 560 K C 2.136 178.700 176.600 -0.059 0.000 1.052 560 K CA 1.939 58.175 56.287 -0.085 0.000 0.937 560 K CB -0.298 32.084 32.500 -0.197 0.000 0.719 560 K HN 0.737 nan 8.250 nan 0.000 0.446 561 E N 0.788 120.948 120.200 -0.066 0.000 2.031 561 E HA -0.200 4.150 4.350 0.001 0.000 0.193 561 E C 1.245 177.805 176.600 -0.066 0.000 0.994 561 E CA 1.356 57.720 56.400 -0.059 0.000 0.800 561 E CB 0.243 29.912 29.700 -0.053 0.000 0.752 561 E HN 0.366 nan 8.360 nan 0.000 0.447 562 Q N -0.669 119.086 119.800 -0.074 0.000 2.139 562 Q HA 0.299 4.640 4.340 0.001 0.000 0.219 562 Q C -0.188 175.773 176.000 -0.065 0.000 0.805 562 Q CA 0.157 55.913 55.803 -0.078 0.000 1.024 562 Q CB 1.971 30.649 28.738 -0.100 0.000 1.163 562 Q HN 0.278 nan 8.270 nan 0.000 0.485 563 G N 1.509 110.273 108.800 -0.061 0.000 2.895 563 G HA2 0.017 3.978 3.960 0.001 0.000 0.686 563 G HA3 0.017 3.978 3.960 0.001 0.000 0.686 563 G C -0.296 174.556 174.900 -0.080 0.000 1.108 563 G CA -0.531 44.534 45.100 -0.058 0.000 0.761 563 G HN 0.399 nan 8.290 nan 0.000 0.611 564 A N 1.713 124.469 122.820 -0.107 0.000 2.406 564 A HA 0.604 4.924 4.320 0.001 0.000 0.243 564 A C 1.710 179.264 177.584 -0.050 0.000 1.082 564 A CA 0.546 52.489 52.037 -0.157 0.000 0.786 564 A CB -0.245 18.563 19.000 -0.319 0.000 1.029 564 A HN 2.570 nan 8.150 nan 0.000 0.495 565 C N 0.560 119.854 119.300 -0.011 0.000 2.634 565 C HA 0.299 4.760 4.460 0.001 0.000 0.417 565 C C -0.977 174.063 174.990 0.084 0.000 1.334 565 C CA -0.891 58.136 59.018 0.016 0.000 1.829 565 C CB -0.557 27.207 27.740 0.041 0.000 2.665 565 C HN 0.706 nan 8.230 nan 0.000 0.614 566 P HA -0.156 nan 4.420 nan 0.000 0.219 566 P C 0.728 178.226 177.300 0.331 0.000 1.161 566 P CA 2.052 65.201 63.100 0.082 0.000 0.909 566 P CB -0.128 31.504 31.700 -0.113 0.000 0.793 567 W N -1.966 119.403 121.300 0.115 0.000 3.269 567 W HA 0.318 4.978 4.660 0.001 0.000 0.413 567 W C 1.384 177.998 176.519 0.158 0.000 1.057 567 W CA -1.384 56.031 57.345 0.117 0.000 1.953 567 W CB -1.917 27.600 29.460 0.095 0.000 1.053 567 W HN -0.056 nan 8.180 nan 0.000 0.753 568 F N 2.916 123.003 119.950 0.228 0.000 2.192 568 F HA -0.308 4.219 4.527 0.001 0.000 0.301 568 F C 1.862 177.754 175.800 0.154 0.000 1.079 568 F CA 2.302 60.395 58.000 0.155 0.000 1.303 568 F CB -0.452 38.602 39.000 0.090 0.000 1.024 568 F HN 0.101 nan 8.300 nan 0.000 0.494 569 N N 0.039 118.791 118.700 0.087 0.000 2.348 569 N HA -0.232 4.508 4.740 0.001 0.000 0.185 569 N C 1.106 176.584 175.510 -0.053 0.000 1.019 569 N CA 1.630 54.672 53.050 -0.014 0.000 0.880 569 N CB -0.774 37.758 38.487 0.074 0.000 0.965 569 N HN 0.536 nan 8.380 nan 0.000 0.437 570 E N 0.093 120.305 120.200 0.019 0.000 2.478 570 E HA -0.030 4.320 4.350 0.001 0.000 0.194 570 E C 0.345 176.981 176.600 0.061 0.000 1.045 570 E CA 0.556 56.990 56.400 0.057 0.000 0.868 570 E CB -0.042 29.731 29.700 0.121 0.000 0.885 570 E HN 0.560 nan 8.360 nan 0.000 0.505 571 T N -0.481 114.009 114.554 -0.107 0.000 2.849 571 T HA 0.092 4.442 4.350 0.001 0.000 0.284 571 T C 1.494 176.071 174.700 -0.206 0.000 1.004 571 T CA -0.073 61.911 62.100 -0.194 0.000 1.021 571 T CB 1.524 70.210 68.868 -0.303 0.000 1.013 571 T HN 0.022 nan 8.240 nan 0.000 0.527 572 T N -1.576 112.856 114.554 -0.204 0.000 3.023 572 T HA -0.057 4.293 4.350 0.001 0.000 0.266 572 T C 1.427 175.992 174.700 -0.225 0.000 1.093 572 T CA 0.492 62.470 62.100 -0.203 0.000 1.129 572 T CB -0.817 67.913 68.868 -0.229 0.000 0.899 572 T HN 0.627 nan 8.240 nan 0.000 0.491 573 Y N 2.264 122.454 120.300 -0.184 0.000 2.128 573 Y HA 0.082 4.633 4.550 0.001 0.000 0.284 573 Y C 3.062 178.915 175.900 -0.078 0.000 1.154 573 Y CA 0.923 58.986 58.100 -0.063 0.000 1.149 573 Y CB -0.984 37.508 38.460 0.053 0.000 0.976 573 Y HN 0.327 nan 8.280 nan 0.000 0.505 574 A N -0.020 122.585 122.820 -0.359 0.000 1.978 574 A HA -0.216 4.105 4.320 0.001 0.000 0.220 574 A C 1.904 179.472 177.584 -0.026 0.000 1.170 574 A CA 1.740 53.584 52.037 -0.322 0.000 0.636 574 A CB -0.518 18.072 19.000 -0.684 0.000 0.810 574 A HN 0.416 nan 8.150 nan 0.000 0.448 575 K N -1.250 119.120 120.400 -0.050 0.000 2.469 575 K HA 0.265 4.586 4.320 0.001 0.000 0.201 575 K C 0.865 177.476 176.600 0.018 0.000 1.028 575 K CA 0.393 56.673 56.287 -0.010 0.000 1.170 575 K CB -0.167 32.312 32.500 -0.034 0.000 0.874 575 K HN 0.632 nan 8.250 nan 0.000 0.507 576 G N 1.733 110.568 108.800 0.058 0.000 2.143 576 G HA2 -0.262 3.698 3.960 0.001 0.000 0.248 576 G HA3 -0.262 3.698 3.960 0.001 0.000 0.248 576 G C 0.109 175.035 174.900 0.044 0.000 0.991 576 G CA -0.150 44.999 45.100 0.081 0.000 0.689 576 G HN 0.292 nan 8.290 nan 0.000 0.522 577 I N 0.651 121.207 120.570 -0.022 0.000 2.365 577 I HA 0.508 4.679 4.170 0.001 0.000 0.291 577 I C 0.726 176.747 176.117 -0.160 0.000 1.004 577 I CA -0.524 60.727 61.300 -0.082 0.000 1.311 577 I CB 1.172 39.099 38.000 -0.122 0.000 1.401 577 I HN -0.037 nan 8.210 nan 0.000 0.491 578 L N 7.451 128.622 121.223 -0.087 0.000 2.323 578 L HA 0.425 4.766 4.340 0.001 0.000 0.265 578 L C -1.566 175.247 176.870 -0.095 0.000 1.012 578 L CA -1.629 53.169 54.840 -0.071 0.000 0.820 578 L CB 2.000 44.148 42.059 0.148 0.000 1.334 578 L HN 0.287 nan 8.230 nan 0.000 0.427 579 P HA -0.212 nan 4.420 nan 0.000 0.216 579 P C 1.556 178.843 177.300 -0.021 0.000 1.157 579 P CA 1.617 64.710 63.100 -0.011 0.000 0.880 579 P CB -0.131 31.578 31.700 0.016 0.000 0.791 580 I N -3.124 117.303 120.570 -0.237 0.000 2.800 580 I HA -0.151 4.020 4.170 0.001 0.000 0.266 580 I C 0.756 176.885 176.117 0.019 0.000 1.249 580 I CA 1.767 62.937 61.300 -0.218 0.000 1.458 580 I CB -0.724 36.963 38.000 -0.521 0.000 1.093 580 I HN -0.140 nan 8.210 nan 0.000 0.466 581 D N 1.244 121.622 120.400 -0.036 0.000 2.338 581 D HA -0.019 4.622 4.640 0.001 0.000 0.208 581 D C 1.975 178.176 176.300 -0.165 0.000 0.997 581 D CA 1.555 55.503 54.000 -0.087 0.000 0.880 581 D CB 0.278 41.039 40.800 -0.065 0.000 0.980 581 D HN 0.554 nan 8.370 nan 0.000 0.509 582 T N -1.555 112.945 114.554 -0.090 0.000 3.085 582 T HA 0.091 4.441 4.350 0.001 0.000 0.264 582 T C 0.777 175.292 174.700 -0.307 0.000 1.019 582 T CA -0.702 61.330 62.100 -0.114 0.000 0.910 582 T CB -0.717 68.188 68.868 0.063 0.000 1.059 582 T HN 0.101 nan 8.240 nan 0.000 0.542 583 Y N 1.343 121.337 120.300 -0.510 0.000 2.426 583 Y HA 0.571 5.121 4.550 0.001 0.000 0.344 583 Y C 0.440 175.999 175.900 -0.569 0.000 1.256 583 Y CA -1.996 55.533 58.100 -0.951 0.000 1.451 583 Y CB 0.459 38.508 38.460 -0.685 0.000 1.342 583 Y HN -0.138 nan 8.280 nan 0.000 0.600 584 K N 3.569 123.738 120.400 -0.385 0.000 2.402 584 K HA 0.007 4.328 4.320 0.001 0.000 0.285 584 K C 1.078 177.605 176.600 -0.123 0.000 1.054 584 K CA -0.201 55.907 56.287 -0.300 0.000 1.001 584 K CB 0.536 32.817 32.500 -0.366 0.000 0.946 584 K HN 0.766 nan 8.250 nan 0.000 0.473 585 K N 3.404 123.664 120.400 -0.235 0.000 2.107 585 K HA -0.266 4.054 4.320 0.001 0.000 0.211 585 K C 0.291 176.900 176.600 0.014 0.000 1.049 585 K CA 2.384 58.579 56.287 -0.154 0.000 0.927 585 K CB -0.686 31.712 32.500 -0.170 0.000 0.714 585 K HN 0.715 nan 8.250 nan 0.000 0.452 586 D N 1.148 121.551 120.400 0.006 0.000 2.311 586 D HA -0.068 4.572 4.640 0.001 0.000 0.212 586 D C 1.932 178.363 176.300 0.219 0.000 0.972 586 D CA 0.933 54.970 54.000 0.062 0.000 0.887 586 D CB -0.137 40.622 40.800 -0.068 0.000 0.915 586 D HN 0.209 nan 8.370 nan 0.000 0.497 587 L N 0.535 121.896 121.223 0.230 0.000 2.131 587 L HA -0.172 4.169 4.340 0.001 0.000 0.210 587 L C 1.677 178.608 176.870 0.102 0.000 1.092 587 L CA 0.857 55.800 54.840 0.173 0.000 0.759 587 L CB -0.375 41.717 42.059 0.055 0.000 0.903 587 L HN 0.016 nan 8.230 nan 0.000 0.435 588 D N -0.118 120.362 120.400 0.133 0.000 2.158 588 D HA -0.206 4.435 4.640 0.001 0.000 0.197 588 D C 2.220 178.548 176.300 0.047 0.000 0.995 588 D CA 2.075 56.120 54.000 0.075 0.000 0.846 588 D CB -0.341 40.512 40.800 0.089 0.000 0.941 588 D HN 0.406 nan 8.370 nan 0.000 0.456 589 T N -1.171 113.431 114.554 0.080 0.000 3.098 589 T HA -0.068 4.283 4.350 0.001 0.000 0.266 589 T C 1.669 176.412 174.700 0.072 0.000 1.145 589 T CA 0.505 62.652 62.100 0.079 0.000 1.092 589 T CB -0.515 68.420 68.868 0.111 0.000 0.908 589 T HN 0.435 nan 8.240 nan 0.000 0.526 590 I N -2.080 118.518 120.570 0.046 0.000 3.947 590 I HA 0.788 4.958 4.170 0.001 0.000 0.327 590 I C 0.122 176.207 176.117 -0.053 0.000 1.519 590 I CA -1.161 60.127 61.300 -0.020 0.000 1.122 590 I CB 0.338 38.260 38.000 -0.129 0.000 1.146 590 I HN 0.221 nan 8.210 nan 0.000 0.442 591 A N 2.455 125.243 122.820 -0.054 0.000 2.518 591 A HA 0.376 4.696 4.320 0.001 0.000 0.295 591 A C -0.045 177.454 177.584 -0.141 0.000 1.052 591 A CA -0.669 51.315 52.037 -0.088 0.000 0.824 591 A CB 0.574 19.526 19.000 -0.079 0.000 1.325 591 A HN 0.298 nan 8.150 nan 0.000 0.394 592 N N 1.498 120.121 118.700 -0.128 0.000 2.282 592 N HA 0.012 4.752 4.740 0.001 0.000 0.185 592 N C 0.234 175.625 175.510 -0.197 0.000 1.099 592 N CA -0.010 52.959 53.050 -0.135 0.000 0.878 592 N CB 0.310 38.753 38.487 -0.073 0.000 0.993 592 N HN 0.710 nan 8.380 nan 0.000 0.481 593 E N 3.573 123.628 120.200 -0.242 0.000 2.765 593 E HA 0.017 4.367 4.350 0.001 0.000 0.256 593 E C -2.218 174.157 176.600 -0.375 0.000 0.935 593 E CA -0.843 55.411 56.400 -0.244 0.000 0.954 593 E CB 0.542 30.139 29.700 -0.172 0.000 0.908 593 E HN 0.278 nan 8.360 nan 0.000 0.500 594 P HA 0.142 nan 4.420 nan 0.000 0.286 594 P C -0.609 176.457 177.300 -0.389 0.000 1.261 594 P CA -0.420 62.529 63.100 -0.252 0.000 0.821 594 P CB 0.699 32.301 31.700 -0.163 0.000 1.013 595 L N 3.466 124.601 121.223 -0.146 0.000 2.490 595 L HA 0.031 4.371 4.340 0.001 0.000 0.274 595 L C 1.713 178.452 176.870 -0.218 0.000 1.201 595 L CA 0.062 54.884 54.840 -0.029 0.000 0.869 595 L CB -0.144 42.018 42.059 0.171 0.000 1.123 595 L HN 0.482 nan 8.230 nan 0.000 0.484 596 H N 2.204 121.308 119.070 0.058 0.000 2.586 596 H HA 0.185 4.742 4.556 0.001 0.000 0.273 596 H C -0.576 174.400 175.328 -0.588 0.000 0.997 596 H CA 0.103 55.990 56.048 -0.268 0.000 1.177 596 H CB 0.188 29.701 29.762 -0.415 0.000 1.471 596 H HN 0.414 nan 8.280 nan 0.000 0.538 597 Y N 0.410 120.666 120.300 -0.073 0.000 2.549 597 Y HA 0.197 4.748 4.550 0.001 0.000 0.339 597 Y C 0.457 176.202 175.900 -0.259 0.000 1.053 597 Y CA -1.236 56.581 58.100 -0.471 0.000 1.105 597 Y CB 1.273 38.947 38.460 -1.309 0.000 1.258 597 Y HN -0.129 nan 8.280 nan 0.000 0.478 598 D N 1.389 121.698 120.400 -0.152 0.000 2.435 598 D HA 0.024 4.664 4.640 0.001 0.000 0.230 598 D C -0.177 176.205 176.300 0.136 0.000 1.215 598 D CA 0.113 54.147 54.000 0.057 0.000 0.947 598 D CB 0.100 40.946 40.800 0.077 0.000 1.048 598 D HN 0.532 nan 8.370 nan 0.000 0.512 599 W N 1.851 123.256 121.300 0.174 0.000 2.576 599 W HA 0.009 4.670 4.660 0.001 0.000 0.270 599 W C 2.038 178.664 176.519 0.179 0.000 1.255 599 W CA -0.124 57.357 57.345 0.227 0.000 1.314 599 W CB 0.373 29.951 29.460 0.198 0.000 1.101 599 W HN 0.352 nan 8.180 nan 0.000 0.595 600 E N 0.221 120.621 120.200 0.334 0.000 2.072 600 E HA -0.132 4.219 4.350 0.001 0.000 0.190 600 E C 2.245 178.953 176.600 0.179 0.000 0.982 600 E CA 1.356 57.891 56.400 0.225 0.000 0.803 600 E CB -0.950 28.854 29.700 0.172 0.000 0.755 600 E HN 0.222 nan 8.360 nan 0.000 0.453 601 A N 1.711 124.628 122.820 0.163 0.000 1.865 601 A HA -0.192 4.129 4.320 0.001 0.000 0.217 601 A C 2.315 179.979 177.584 0.134 0.000 1.191 601 A CA 1.602 53.718 52.037 0.132 0.000 0.623 601 A CB -0.853 18.219 19.000 0.120 0.000 0.826 601 A HN 0.251 nan 8.150 nan 0.000 0.444 602 L N -0.075 121.233 121.223 0.143 0.000 2.042 602 L HA -0.190 4.151 4.340 0.001 0.000 0.210 602 L C 2.506 179.470 176.870 0.157 0.000 1.076 602 L CA 2.499 57.398 54.840 0.098 0.000 0.749 602 L CB -0.559 41.515 42.059 0.025 0.000 0.893 602 L HN 0.504 nan 8.230 nan 0.000 0.432 603 R N -0.627 120.002 120.500 0.217 0.000 2.097 603 R HA -0.203 4.137 4.340 0.001 0.000 0.236 603 R C 2.139 178.545 176.300 0.176 0.000 1.135 603 R CA 1.922 58.156 56.100 0.222 0.000 0.934 603 R CB -0.292 30.138 30.300 0.217 0.000 0.846 603 R HN 0.413 nan 8.270 nan 0.000 0.431 604 E N 0.248 120.536 120.200 0.146 0.000 2.058 604 E HA -0.165 4.186 4.350 0.001 0.000 0.194 604 E C 2.001 178.680 176.600 0.131 0.000 0.997 604 E CA 1.290 57.763 56.400 0.121 0.000 0.801 604 E CB -0.561 29.200 29.700 0.102 0.000 0.746 604 E HN 0.254 nan 8.360 nan 0.000 0.450 605 S N 0.262 116.051 115.700 0.149 0.000 2.383 605 S HA -0.130 4.340 4.470 0.001 0.000 0.229 605 S C 2.055 176.776 174.600 0.201 0.000 1.030 605 S CA 0.856 59.178 58.200 0.203 0.000 1.002 605 S CB -0.188 63.083 63.200 0.119 0.000 0.829 605 S HN 0.171 nan 8.310 nan 0.000 0.467 606 I N 0.766 121.427 120.570 0.153 0.000 2.163 606 I HA -0.156 4.015 4.170 0.001 0.000 0.240 606 I C 2.685 178.923 176.117 0.202 0.000 1.081 606 I CA 1.130 62.528 61.300 0.163 0.000 1.353 606 I CB -0.344 37.809 38.000 0.255 0.000 1.054 606 I HN 0.207 nan 8.210 nan 0.000 0.407 607 K N 0.324 120.848 120.400 0.207 0.000 2.044 607 K HA -0.204 4.116 4.320 0.001 0.000 0.210 607 K C 2.123 178.783 176.600 0.100 0.000 1.049 607 K CA 2.189 58.587 56.287 0.186 0.000 0.927 607 K CB -0.228 32.351 32.500 0.132 0.000 0.713 607 K HN 0.342 nan 8.250 nan 0.000 0.443 608 T N 0.005 114.560 114.554 0.001 0.000 2.612 608 T HA -0.098 4.252 4.350 0.001 0.000 0.259 608 T C 1.599 176.115 174.700 -0.307 0.000 1.065 608 T CA 1.111 63.092 62.100 -0.198 0.000 1.167 608 T CB -0.285 68.360 68.868 -0.372 0.000 0.863 608 T HN 0.368 nan 8.240 nan 0.000 0.407 609 H N 0.564 119.613 119.070 -0.035 0.000 2.544 609 H HA 0.369 4.926 4.556 0.001 0.000 0.269 609 H C 1.569 176.759 175.328 -0.230 0.000 0.970 609 H CA 0.527 56.517 56.048 -0.097 0.000 1.219 609 H CB -0.175 29.534 29.762 -0.089 0.000 1.421 609 H HN 0.563 nan 8.280 nan 0.000 0.555 610 G N 1.103 109.763 108.800 -0.233 0.000 2.725 610 G HA2 -0.235 3.725 3.960 0.001 0.000 0.220 610 G HA3 -0.235 3.725 3.960 0.001 0.000 0.220 610 G C -0.824 173.608 174.900 -0.780 0.000 1.357 610 G CA -0.446 44.107 45.100 -0.911 0.000 0.866 610 G HN 0.208 nan 8.290 nan 0.000 0.548 611 L N -0.038 120.444 121.223 -1.235 0.000 2.365 611 L HA 0.543 4.884 4.340 0.001 0.000 0.273 611 L C 1.526 178.209 176.870 -0.313 0.000 1.000 611 L CA -0.910 53.638 54.840 -0.486 0.000 0.819 611 L CB 1.895 43.825 42.059 -0.214 0.000 1.284 611 L HN 0.773 nan 8.230 nan 0.000 0.418 612 R N 2.467 122.852 120.500 -0.192 0.000 2.083 612 R HA -0.078 4.262 4.340 0.001 0.000 0.237 612 R C -0.103 176.158 176.300 -0.065 0.000 1.137 612 R CA 1.598 57.627 56.100 -0.118 0.000 0.951 612 R CB -0.137 30.108 30.300 -0.092 0.000 0.851 612 R HN 0.685 nan 8.270 nan 0.000 0.434 613 N N -1.040 117.624 118.700 -0.060 0.000 2.362 613 N HA 0.214 4.954 4.740 0.001 0.000 0.298 613 N C -0.365 175.141 175.510 -0.007 0.000 1.048 613 N CA -0.272 52.765 53.050 -0.022 0.000 0.858 613 N CB 2.145 40.611 38.487 -0.034 0.000 1.218 613 N HN -0.114 nan 8.380 nan 0.000 0.488 614 S N -0.284 115.449 115.700 0.056 0.000 2.461 614 S HA -0.005 4.466 4.470 0.001 0.000 0.228 614 S C 0.593 175.150 174.600 -0.072 0.000 1.005 614 S CA 0.678 58.902 58.200 0.040 0.000 0.942 614 S CB -0.120 63.187 63.200 0.178 0.000 0.776 614 S HN 0.831 nan 8.310 nan 0.000 0.514 615 T N -1.805 112.747 114.554 -0.003 0.000 2.916 615 T HA 0.703 5.053 4.350 0.001 0.000 0.305 615 T C -0.082 174.626 174.700 0.013 0.000 1.119 615 T CA -0.735 61.376 62.100 0.018 0.000 1.008 615 T CB 1.621 70.552 68.868 0.106 0.000 1.129 615 T HN -0.065 nan 8.240 nan 0.000 0.480 616 L N 1.151 122.388 121.223 0.023 0.000 3.017 616 L HA 0.380 4.720 4.340 0.001 0.000 0.265 616 L C 0.712 177.610 176.870 0.046 0.000 1.128 616 L CA -0.007 54.846 54.840 0.021 0.000 0.984 616 L CB 0.828 42.891 42.059 0.006 0.000 1.464 616 L HN 0.939 nan 8.230 nan 0.000 0.556 617 S N -0.117 115.626 115.700 0.072 0.000 2.542 617 S HA 0.915 5.385 4.470 0.001 0.000 0.293 617 S C -0.562 174.078 174.600 0.067 0.000 1.089 617 S CA -0.220 58.031 58.200 0.086 0.000 0.961 617 S CB 2.732 66.020 63.200 0.147 0.000 1.062 617 S HN 0.124 nan 8.310 nan 0.000 0.483 618 A N 2.348 125.199 122.820 0.052 0.000 2.530 618 A HA 0.541 4.861 4.320 0.001 0.000 0.297 618 A C -1.271 176.325 177.584 0.020 0.000 1.059 618 A CA -0.775 51.279 52.037 0.028 0.000 0.782 618 A CB 0.679 19.684 19.000 0.009 0.000 1.301 618 A HN 0.890 nan 8.150 nan 0.000 0.394 619 L N 3.922 125.152 121.223 0.011 0.000 2.288 619 L HA 0.382 4.722 4.340 0.001 0.000 0.283 619 L C -0.068 176.789 176.870 -0.021 0.000 1.072 619 L CA -0.270 54.576 54.840 0.010 0.000 0.862 619 L CB 0.533 42.593 42.059 0.001 0.000 1.245 619 L HN 0.641 nan 8.230 nan 0.000 0.432 620 M N 4.034 123.624 119.600 -0.018 0.000 2.359 620 M HA 0.468 4.948 4.480 0.001 0.000 0.322 620 M C -2.035 174.268 176.300 0.004 0.000 1.166 620 M CA -1.767 53.509 55.300 -0.040 0.000 1.067 620 M CB 1.157 33.741 32.600 -0.027 0.000 1.523 620 M HN 0.196 nan 8.290 nan 0.000 0.467 621 P HA 0.300 nan 4.420 nan 0.000 0.277 621 P C -1.083 176.260 177.300 0.072 0.000 1.271 621 P CA -0.382 62.760 63.100 0.071 0.000 0.795 621 P CB 0.602 32.366 31.700 0.106 0.000 1.101 622 S N -2.583 113.173 115.700 0.093 0.000 2.666 622 S HA 0.126 4.596 4.470 0.001 0.000 0.165 622 S C 0.564 175.219 174.600 0.092 0.000 0.865 622 S CA -0.590 57.663 58.200 0.088 0.000 1.038 622 S CB -0.064 63.185 63.200 0.082 0.000 1.507 622 S HN 0.432 nan 8.310 nan 0.000 0.422 623 E N 2.941 123.196 120.200 0.092 0.000 2.038 623 E HA -0.140 4.211 4.350 0.001 0.000 0.195 623 E C 1.663 178.298 176.600 0.058 0.000 1.000 623 E CA 2.740 59.186 56.400 0.076 0.000 0.803 623 E CB -0.404 29.342 29.700 0.077 0.000 0.750 623 E HN 0.745 nan 8.360 nan 0.000 0.448 624 T N -0.064 114.531 114.554 0.068 0.000 2.639 624 T HA -0.176 4.175 4.350 0.001 0.000 0.261 624 T C 2.102 176.832 174.700 0.050 0.000 1.053 624 T CA 1.845 63.976 62.100 0.052 0.000 1.158 624 T CB -0.714 68.216 68.868 0.102 0.000 0.863 624 T HN 0.338 nan 8.240 nan 0.000 0.413 625 S N 2.308 118.078 115.700 0.116 0.000 2.370 625 S HA -0.153 4.317 4.470 0.001 0.000 0.226 625 S C 2.351 176.999 174.600 0.081 0.000 1.033 625 S CA 1.462 59.746 58.200 0.140 0.000 1.011 625 S CB -0.913 62.388 63.200 0.169 0.000 0.852 625 S HN 0.398 nan 8.310 nan 0.000 0.457 626 S N 2.137 117.879 115.700 0.070 0.000 2.359 626 S HA -0.192 4.279 4.470 0.001 0.000 0.224 626 S C 2.138 176.743 174.600 0.008 0.000 1.035 626 S CA 1.438 59.670 58.200 0.054 0.000 1.018 626 S CB -0.553 62.691 63.200 0.074 0.000 0.876 626 S HN 0.572 nan 8.310 nan 0.000 0.448 627 Q N 0.305 120.102 119.800 -0.006 0.000 2.096 627 Q HA -0.104 4.236 4.340 0.001 0.000 0.204 627 Q C 2.197 178.151 176.000 -0.077 0.000 0.982 627 Q CA 1.150 56.927 55.803 -0.044 0.000 0.850 627 Q CB -0.382 28.321 28.738 -0.058 0.000 0.901 627 Q HN 0.492 nan 8.270 nan 0.000 0.422 628 I N 0.597 121.118 120.570 -0.082 0.000 2.264 628 I HA -0.212 3.959 4.170 0.001 0.000 0.248 628 I C 1.658 177.679 176.117 -0.160 0.000 1.111 628 I CA 1.294 62.553 61.300 -0.068 0.000 1.382 628 I CB -0.660 37.337 38.000 -0.004 0.000 1.060 628 I HN 0.082 nan 8.210 nan 0.000 0.418 629 S N 0.527 116.086 115.700 -0.235 0.000 2.605 629 S HA 0.025 4.495 4.470 0.001 0.000 0.217 629 S C 0.626 175.028 174.600 -0.330 0.000 0.958 629 S CA -0.206 57.686 58.200 -0.514 0.000 0.919 629 S CB -0.486 62.596 63.200 -0.196 0.000 0.780 629 S HN 0.497 nan 8.310 nan 0.000 0.507 630 N N 1.776 120.369 118.700 -0.178 0.000 2.642 630 N HA -0.203 4.537 4.740 0.001 0.000 0.269 630 N C -0.579 174.884 175.510 -0.078 0.000 1.073 630 N CA 0.787 53.783 53.050 -0.091 0.000 0.748 630 N CB -1.308 37.152 38.487 -0.045 0.000 0.894 630 N HN 0.605 nan 8.380 nan 0.000 0.548 631 A N 0.594 123.395 122.820 -0.031 0.000 2.454 631 A HA 0.757 5.078 4.320 0.001 0.000 0.302 631 A C 0.402 178.037 177.584 0.086 0.000 1.079 631 A CA -0.086 51.966 52.037 0.025 0.000 0.731 631 A CB 0.824 19.858 19.000 0.057 0.000 1.299 631 A HN 0.696 nan 8.150 nan 0.000 0.413 632 T N -0.225 114.428 114.554 0.165 0.000 2.900 632 T HA 0.275 4.626 4.350 0.001 0.000 0.307 632 T C 0.048 174.864 174.700 0.192 0.000 1.065 632 T CA -0.235 61.982 62.100 0.195 0.000 1.105 632 T CB -0.268 68.783 68.868 0.304 0.000 0.979 632 T HN 0.585 nan 8.240 nan 0.000 0.544 633 N N 1.388 120.188 118.700 0.167 0.000 2.458 633 N HA 0.462 5.202 4.740 0.001 0.000 0.270 633 N C 1.426 177.056 175.510 0.200 0.000 1.102 633 N CA 0.024 53.168 53.050 0.156 0.000 0.967 633 N CB 0.665 39.226 38.487 0.124 0.000 1.078 633 N HN 1.030 nan 8.380 nan 0.000 0.471 634 G N 2.633 111.543 108.800 0.183 0.000 2.698 634 G HA2 -0.375 3.585 3.960 0.001 0.000 0.346 634 G HA3 -0.375 3.585 3.960 0.001 0.000 0.346 634 G C 0.753 175.816 174.900 0.272 0.000 1.287 634 G CA 1.209 46.422 45.100 0.188 0.000 0.990 634 G HN 0.768 nan 8.290 nan 0.000 0.545 635 I N -1.517 119.208 120.570 0.260 0.000 3.956 635 I HA 0.453 4.623 4.170 0.001 0.000 0.333 635 I C 0.092 176.569 176.117 0.601 0.000 1.302 635 I CA -0.077 61.448 61.300 0.375 0.000 1.122 635 I CB 0.369 38.389 38.000 0.032 0.000 1.013 635 I HN 0.052 nan 8.210 nan 0.000 0.405 636 E N 4.323 124.772 120.200 0.414 0.000 2.338 636 E HA 0.302 4.653 4.350 0.001 0.000 0.272 636 E C -2.268 174.464 176.600 0.220 0.000 1.029 636 E CA -2.336 54.243 56.400 0.298 0.000 0.872 636 E CB 0.241 30.029 29.700 0.147 0.000 1.015 636 E HN 0.122 nan 8.360 nan 0.000 0.417 637 P HA 0.110 nan 4.420 nan 0.000 0.268 637 P C -2.414 174.814 177.300 -0.121 0.000 1.204 637 P CA -1.154 61.840 63.100 -0.177 0.000 0.768 637 P CB -0.358 30.969 31.700 -0.622 0.000 0.842 638 P HA 0.194 nan 4.420 nan 0.000 0.272 638 P C 0.979 178.161 177.300 -0.196 0.000 1.223 638 P CA -0.112 62.925 63.100 -0.105 0.000 0.784 638 P CB 0.935 32.556 31.700 -0.132 0.000 0.923 639 R N 0.849 121.245 120.500 -0.174 0.000 2.075 639 R HA 0.106 4.446 4.340 0.001 0.000 0.232 639 R C 1.164 177.378 176.300 -0.143 0.000 1.126 639 R CA 1.673 57.669 56.100 -0.174 0.000 0.963 639 R CB -0.261 29.998 30.300 -0.069 0.000 0.858 639 R HN 0.752 nan 8.270 nan 0.000 0.435 640 G N -3.286 105.415 108.800 -0.164 0.000 2.687 640 G HA2 0.217 4.177 3.960 0.001 0.000 0.291 640 G HA3 0.217 4.177 3.960 0.001 0.000 0.291 640 G C -0.770 173.973 174.900 -0.262 0.000 1.420 640 G CA -0.683 44.273 45.100 -0.239 0.000 0.796 640 G HN 0.062 nan 8.290 nan 0.000 0.485 641 Y N -0.825 119.443 120.300 -0.053 0.000 2.352 641 Y HA 0.192 4.742 4.550 0.001 0.000 0.292 641 Y C 1.379 177.185 175.900 -0.157 0.000 1.136 641 Y CA 0.439 58.472 58.100 -0.112 0.000 1.227 641 Y CB 0.027 38.437 38.460 -0.083 0.000 0.991 641 Y HN 0.095 nan 8.280 nan 0.000 0.545 642 V N 0.694 120.612 119.914 0.006 0.000 2.409 642 V HA 0.355 4.475 4.120 0.001 0.000 0.291 642 V C -0.176 175.902 176.094 -0.026 0.000 1.020 642 V CA -1.143 61.136 62.300 -0.035 0.000 0.848 642 V CB 1.483 33.273 31.823 -0.055 0.000 0.990 642 V HN 0.144 nan 8.190 nan 0.000 0.430 643 S N 5.994 121.679 115.700 -0.025 0.000 2.525 643 S HA 0.814 5.284 4.470 0.001 0.000 0.290 643 S C -0.806 173.789 174.600 -0.010 0.000 1.152 643 S CA -0.525 57.665 58.200 -0.016 0.000 1.072 643 S CB 1.279 64.469 63.200 -0.016 0.000 1.027 643 S HN 0.484 nan 8.310 nan 0.000 0.500 644 I N 2.260 122.828 120.570 -0.004 0.000 2.474 644 I HA 0.569 4.739 4.170 0.001 0.000 0.294 644 I C -0.276 175.843 176.117 0.003 0.000 1.005 644 I CA -0.538 60.762 61.300 0.000 0.000 1.113 644 I CB 2.139 40.139 38.000 0.001 0.000 1.289 644 I HN 0.625 nan 8.210 nan 0.000 0.436 645 K N 4.135 124.537 120.400 0.004 0.000 2.375 645 K HA 0.861 5.182 4.320 0.001 0.000 0.249 645 K C -1.140 175.465 176.600 0.007 0.000 0.942 645 K CA -0.484 55.805 56.287 0.003 0.000 0.806 645 K CB 2.037 34.532 32.500 -0.007 0.000 1.227 645 K HN 0.612 nan 8.250 nan 0.000 0.430 646 A N 1.331 124.155 122.820 0.007 0.000 2.295 646 A HA 0.753 5.074 4.320 0.001 0.000 0.318 646 A C -0.578 177.010 177.584 0.008 0.000 1.134 646 A CA -0.185 51.858 52.037 0.010 0.000 0.827 646 A CB 1.052 20.057 19.000 0.010 0.000 1.136 646 A HN 0.668 nan 8.150 nan 0.000 0.493 647 S N -0.468 115.240 115.700 0.013 0.000 2.672 647 S HA 0.482 4.952 4.470 0.001 0.000 0.271 647 S C -0.069 174.542 174.600 0.018 0.000 1.171 647 S CA -0.295 57.912 58.200 0.012 0.000 0.817 647 S CB 0.883 64.089 63.200 0.011 0.000 1.150 647 S HN 0.555 nan 8.310 nan 0.000 0.478 648 K N 0.763 121.174 120.400 0.019 0.000 2.314 648 K HA 0.298 4.619 4.320 0.001 0.000 0.198 648 K C 0.450 177.069 176.600 0.033 0.000 1.045 648 K CA 0.752 57.053 56.287 0.022 0.000 0.988 648 K CB -0.026 32.485 32.500 0.020 0.000 0.783 648 K HN 0.430 nan 8.250 nan 0.000 0.484 649 D N 0.733 121.158 120.400 0.042 0.000 2.328 649 D HA 0.150 4.791 4.640 0.001 0.000 0.226 649 D C 0.650 176.995 176.300 0.074 0.000 1.066 649 D CA 0.680 54.719 54.000 0.065 0.000 0.861 649 D CB 0.450 41.300 40.800 0.085 0.000 0.912 649 D HN 0.294 nan 8.370 nan 0.000 0.521 650 G N 0.899 109.732 108.800 0.055 0.000 2.422 650 G HA2 -0.155 3.805 3.960 0.001 0.000 0.607 650 G HA3 -0.155 3.805 3.960 0.001 0.000 0.607 650 G C -0.692 174.238 174.900 0.051 0.000 1.270 650 G CA -1.016 44.113 45.100 0.047 0.000 0.992 650 G HN 0.134 nan 8.290 nan 0.000 0.499 651 I N 1.095 121.688 120.570 0.038 0.000 2.452 651 I HA 0.260 4.431 4.170 0.001 0.000 0.287 651 I C 0.624 176.780 176.117 0.064 0.000 1.079 651 I CA -0.100 61.220 61.300 0.035 0.000 1.387 651 I CB 0.440 38.447 38.000 0.013 0.000 1.404 651 I HN 0.291 nan 8.210 nan 0.000 0.522 652 L N 7.657 128.917 121.223 0.062 0.000 2.257 652 L HA 0.499 4.840 4.340 0.001 0.000 0.290 652 L C 0.159 177.060 176.870 0.051 0.000 1.044 652 L CA -0.484 54.409 54.840 0.089 0.000 0.810 652 L CB 0.453 42.527 42.059 0.025 0.000 1.193 652 L HN 0.582 nan 8.230 nan 0.000 0.425 653 R N 2.649 123.188 120.500 0.064 0.000 2.604 653 R HA 0.534 4.875 4.340 0.001 0.000 0.287 653 R C -0.805 175.503 176.300 0.013 0.000 0.970 653 R CA -0.670 55.442 56.100 0.020 0.000 0.946 653 R CB 2.361 32.660 30.300 -0.002 0.000 1.127 653 R HN 0.550 nan 8.270 nan 0.000 0.473 654 Q N 1.963 121.755 119.800 -0.013 0.000 2.285 654 Q HA 0.322 4.662 4.340 0.001 0.000 0.269 654 Q C -1.553 174.425 176.000 -0.037 0.000 1.030 654 Q CA -0.664 55.122 55.803 -0.028 0.000 0.788 654 Q CB 2.221 30.942 28.738 -0.029 0.000 1.266 654 Q HN 0.379 nan 8.270 nan 0.000 0.438 655 V N 3.922 123.808 119.914 -0.045 0.000 2.465 655 V HA 0.280 4.400 4.120 0.001 0.000 0.279 655 V C 0.536 176.638 176.094 0.012 0.000 1.045 655 V CA -0.806 61.468 62.300 -0.043 0.000 0.938 655 V CB 1.032 32.815 31.823 -0.068 0.000 0.986 655 V HN 0.691 nan 8.190 nan 0.000 0.467 656 V N 3.387 123.318 119.914 0.028 0.000 2.814 656 V HA 0.150 4.270 4.120 0.001 0.000 0.307 656 V C -2.152 174.058 176.094 0.193 0.000 1.089 656 V CA -1.250 61.083 62.300 0.055 0.000 1.212 656 V CB -0.685 31.051 31.823 -0.146 0.000 0.912 656 V HN 0.769 nan 8.190 nan 0.000 0.497 657 P HA 0.042 nan 4.420 nan 0.000 0.261 657 P C 0.199 177.711 177.300 0.354 0.000 1.173 657 P CA 0.947 64.088 63.100 0.068 0.000 0.760 657 P CB -0.004 31.377 31.700 -0.532 0.000 0.783 658 D N 1.847 122.445 120.400 0.331 0.000 2.686 658 D HA -0.275 4.365 4.640 0.001 0.000 0.235 658 D C 0.347 176.922 176.300 0.458 0.000 1.160 658 D CA 0.618 54.869 54.000 0.419 0.000 0.645 658 D CB -1.411 39.679 40.800 0.483 0.000 1.039 658 D HN 0.467 nan 8.370 nan 0.000 0.423 659 Y N 0.468 120.950 120.300 0.304 0.000 2.181 659 Y HA -0.181 4.370 4.550 0.001 0.000 0.288 659 Y C 2.184 178.207 175.900 0.206 0.000 1.146 659 Y CA 2.536 60.796 58.100 0.267 0.000 1.164 659 Y CB -0.243 38.287 38.460 0.117 0.000 0.982 659 Y HN 0.325 nan 8.280 nan 0.000 0.515 660 E N -0.525 119.748 120.200 0.121 0.000 2.095 660 E HA -0.356 3.994 4.350 0.001 0.000 0.212 660 E C 1.627 178.057 176.600 -0.284 0.000 1.044 660 E CA 2.571 58.876 56.400 -0.158 0.000 0.857 660 E CB -0.372 29.137 29.700 -0.318 0.000 0.764 660 E HN 0.777 nan 8.360 nan 0.000 0.462 661 H N -1.685 117.408 119.070 0.037 0.000 2.562 661 H HA 0.227 4.783 4.556 0.001 0.000 0.267 661 H C 0.810 176.047 175.328 -0.151 0.000 0.959 661 H CA 0.603 56.621 56.048 -0.049 0.000 1.204 661 H CB 0.492 30.235 29.762 -0.032 0.000 1.430 661 H HN 0.118 nan 8.280 nan 0.000 0.545 662 L N 1.473 122.704 121.223 0.013 0.000 3.014 662 L HA 0.088 4.428 4.340 0.001 0.000 0.263 662 L C 1.607 178.480 176.870 0.005 0.000 1.207 662 L CA -0.191 54.608 54.840 -0.067 0.000 1.017 662 L CB 0.012 42.027 42.059 -0.074 0.000 1.360 662 L HN 0.469 nan 8.230 nan 0.000 0.560 663 H N -0.946 118.030 119.070 -0.157 0.000 2.352 663 H HA -0.136 4.420 4.556 0.001 0.000 0.299 663 H C 0.635 176.029 175.328 0.110 0.000 1.097 663 H CA 1.566 57.484 56.048 -0.218 0.000 1.311 663 H CB -0.247 28.920 29.762 -0.992 0.000 1.377 663 H HN 0.314 nan 8.280 nan 0.000 0.504 664 D N 1.221 121.405 120.400 -0.359 0.000 2.269 664 D HA 0.060 4.700 4.640 0.001 0.000 0.208 664 D C 2.247 178.543 176.300 -0.006 0.000 0.963 664 D CA 1.029 54.977 54.000 -0.086 0.000 0.864 664 D CB -0.111 40.586 40.800 -0.172 0.000 0.936 664 D HN 0.545 nan 8.370 nan 0.000 0.505 665 A N 0.231 123.014 122.820 -0.063 0.000 1.929 665 A HA -0.105 4.216 4.320 0.001 0.000 0.216 665 A C 0.686 178.264 177.584 -0.011 0.000 1.176 665 A CA 0.441 52.425 52.037 -0.088 0.000 0.628 665 A CB -0.595 18.274 19.000 -0.217 0.000 0.816 665 A HN 0.095 nan 8.150 nan 0.000 0.444 666 Y N 0.334 120.716 120.300 0.137 0.000 2.578 666 Y HA 0.233 4.783 4.550 0.001 0.000 0.339 666 Y C 0.777 176.769 175.900 0.153 0.000 1.231 666 Y CA 0.610 58.822 58.100 0.187 0.000 1.461 666 Y CB 0.362 39.004 38.460 0.304 0.000 1.323 666 Y HN 0.429 nan 8.280 nan 0.000 0.590 667 E N 3.876 124.274 120.200 0.330 0.000 2.149 667 E HA 0.351 4.701 4.350 0.001 0.000 0.255 667 E C -1.358 175.302 176.600 0.100 0.000 0.888 667 E CA -0.449 56.074 56.400 0.204 0.000 0.742 667 E CB 0.274 30.101 29.700 0.212 0.000 1.164 667 E HN 0.611 nan 8.360 nan 0.000 0.422 668 L N 4.376 125.605 121.223 0.009 0.000 2.483 668 L HA 0.003 4.343 4.340 0.001 0.000 0.275 668 L C 1.693 178.451 176.870 -0.187 0.000 1.220 668 L CA -0.276 54.488 54.840 -0.128 0.000 0.833 668 L CB 0.271 42.209 42.059 -0.200 0.000 1.102 668 L HN 0.749 nan 8.230 nan 0.000 0.490 669 L N 1.850 122.869 121.223 -0.341 0.000 1.997 669 L HA -0.217 4.123 4.340 0.001 0.000 0.216 669 L C 1.605 178.144 176.870 -0.552 0.000 1.074 669 L CA 2.102 56.594 54.840 -0.580 0.000 0.763 669 L CB -0.401 41.140 42.059 -0.865 0.000 0.890 669 L HN 0.567 nan 8.230 nan 0.000 0.434 670 W N -0.159 121.091 121.300 -0.083 0.000 3.292 670 W HA 0.101 4.761 4.660 0.001 0.000 0.263 670 W C 1.915 178.416 176.519 -0.031 0.000 1.318 670 W CA 0.024 57.338 57.345 -0.052 0.000 1.663 670 W CB -0.136 29.303 29.460 -0.035 0.000 1.114 670 W HN 0.266 nan 8.180 nan 0.000 0.706 671 E N 0.291 120.554 120.200 0.104 0.000 2.385 671 E HA 0.012 4.363 4.350 0.001 0.000 0.194 671 E C 0.736 177.380 176.600 0.073 0.000 1.013 671 E CA 0.297 56.752 56.400 0.093 0.000 0.866 671 E CB -0.085 29.660 29.700 0.074 0.000 0.832 671 E HN 0.290 nan 8.360 nan 0.000 0.500 672 M N 2.201 121.821 119.600 0.033 0.000 2.219 672 M HA 0.057 4.538 4.480 0.001 0.000 0.353 672 M C -1.779 174.562 176.300 0.067 0.000 1.304 672 M CA -1.376 53.946 55.300 0.035 0.000 1.115 672 M CB 0.381 32.969 32.600 -0.020 0.000 1.664 672 M HN -0.208 nan 8.290 nan 0.000 0.459 673 P HA 0.053 nan 4.420 nan 0.000 0.226 673 P C 0.383 177.730 177.300 0.078 0.000 1.153 673 P CA 0.589 63.727 63.100 0.064 0.000 0.777 673 P CB 0.337 32.069 31.700 0.053 0.000 0.794 674 G N -1.480 107.371 108.800 0.086 0.000 2.427 674 G HA2 0.070 4.030 3.960 0.001 0.000 0.306 674 G HA3 0.070 4.030 3.960 0.001 0.000 0.306 674 G C -0.386 174.553 174.900 0.065 0.000 1.280 674 G CA -0.422 44.741 45.100 0.106 0.000 0.837 674 G HN -0.204 nan 8.290 nan 0.000 0.482 675 N N 0.160 118.906 118.700 0.076 0.000 2.299 675 N HA 0.038 4.779 4.740 0.001 0.000 0.187 675 N C 0.938 176.556 175.510 0.179 0.000 1.099 675 N CA 0.293 53.391 53.050 0.080 0.000 0.867 675 N CB 0.595 39.107 38.487 0.041 0.000 0.974 675 N HN 0.494 nan 8.380 nan 0.000 0.477 676 D N 1.371 121.876 120.400 0.174 0.000 2.092 676 D HA -0.141 4.499 4.640 0.001 0.000 0.193 676 D C 1.964 178.356 176.300 0.153 0.000 0.994 676 D CA 1.396 55.504 54.000 0.181 0.000 0.828 676 D CB -0.264 40.636 40.800 0.167 0.000 0.963 676 D HN 0.239 nan 8.370 nan 0.000 0.450 677 G N 0.537 109.427 108.800 0.150 0.000 2.631 677 G HA2 -0.364 3.596 3.960 0.001 0.000 0.219 677 G HA3 -0.364 3.596 3.960 0.001 0.000 0.219 677 G C 1.554 176.570 174.900 0.193 0.000 1.214 677 G CA 1.361 46.549 45.100 0.148 0.000 0.785 677 G HN 0.335 nan 8.290 nan 0.000 0.596 678 Y N 1.315 121.696 120.300 0.135 0.000 2.097 678 Y HA -0.136 4.414 4.550 0.001 0.000 0.282 678 Y C 2.759 178.719 175.900 0.100 0.000 1.152 678 Y CA 1.944 60.151 58.100 0.178 0.000 1.136 678 Y CB -0.461 38.081 38.460 0.136 0.000 0.975 678 Y HN 0.138 nan 8.280 nan 0.000 0.498 679 L N 0.194 121.576 121.223 0.265 0.000 2.043 679 L HA -0.345 3.995 4.340 0.001 0.000 0.212 679 L C 2.650 179.484 176.870 -0.061 0.000 1.075 679 L CA 1.884 56.791 54.840 0.112 0.000 0.752 679 L CB -0.843 41.359 42.059 0.238 0.000 0.891 679 L HN 0.389 nan 8.230 nan 0.000 0.432 680 Q N -0.181 119.538 119.800 -0.135 0.000 2.045 680 Q HA -0.239 4.102 4.340 0.001 0.000 0.206 680 Q C 2.419 178.253 176.000 -0.277 0.000 0.991 680 Q CA 1.575 57.140 55.803 -0.396 0.000 0.851 680 Q CB -0.238 28.268 28.738 -0.388 0.000 0.911 680 Q HN 0.533 nan 8.270 nan 0.000 0.418 681 L N -0.001 121.117 121.223 -0.175 0.000 2.042 681 L HA -0.208 4.132 4.340 0.001 0.000 0.210 681 L C 2.416 179.100 176.870 -0.309 0.000 1.076 681 L CA 1.010 55.744 54.840 -0.177 0.000 0.749 681 L CB -0.657 41.365 42.059 -0.063 0.000 0.893 681 L HN 0.157 nan 8.230 nan 0.000 0.432 682 V N 0.250 119.939 119.914 -0.376 0.000 2.343 682 V HA -0.218 3.902 4.120 0.001 0.000 0.247 682 V C 2.677 178.619 176.094 -0.254 0.000 1.051 682 V CA 1.990 64.067 62.300 -0.372 0.000 1.036 682 V CB -1.297 30.322 31.823 -0.340 0.000 0.654 682 V HN 0.576 nan 8.190 nan 0.000 0.451 683 G N -0.037 108.653 108.800 -0.183 0.000 2.440 683 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 683 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 683 G C 1.577 176.376 174.900 -0.169 0.000 1.154 683 G CA 1.178 46.203 45.100 -0.125 0.000 0.767 683 G HN 0.491 nan 8.290 nan 0.000 0.552 684 I N 0.531 120.982 120.570 -0.198 0.000 2.179 684 I HA -0.228 3.942 4.170 0.001 0.000 0.242 684 I C 2.978 178.990 176.117 -0.175 0.000 1.088 684 I CA 1.328 62.539 61.300 -0.148 0.000 1.357 684 I CB -0.248 37.711 38.000 -0.069 0.000 1.051 684 I HN 0.192 nan 8.210 nan 0.000 0.409 685 M N -0.278 119.099 119.600 -0.372 0.000 2.108 685 M HA -0.268 4.212 4.480 0.001 0.000 0.261 685 M C 2.336 178.495 176.300 -0.235 0.000 1.066 685 M CA 1.700 56.631 55.300 -0.615 0.000 1.107 685 M CB -0.541 31.379 32.600 -1.133 0.000 1.356 685 M HN 0.139 nan 8.290 nan 0.000 0.406 686 Q N 1.072 120.760 119.800 -0.186 0.000 2.291 686 Q HA -0.148 4.193 4.340 0.001 0.000 0.206 686 Q C 1.722 177.739 176.000 0.029 0.000 0.976 686 Q CA 1.579 57.347 55.803 -0.059 0.000 0.875 686 Q CB -0.233 28.476 28.738 -0.049 0.000 0.927 686 Q HN 0.412 nan 8.270 nan 0.000 0.450 687 K N -1.025 119.292 120.400 -0.138 0.000 2.020 687 K HA -0.175 4.146 4.320 0.001 0.000 0.212 687 K C 1.142 177.524 176.600 -0.364 0.000 1.050 687 K CA 1.877 57.936 56.287 -0.381 0.000 0.929 687 K CB -0.181 31.739 32.500 -0.967 0.000 0.714 687 K HN 0.282 nan 8.250 nan 0.000 0.443 688 F N 0.433 120.388 119.950 0.009 0.000 2.698 688 F HA 0.183 4.710 4.527 0.001 0.000 0.295 688 F C 0.607 176.467 175.800 0.101 0.000 1.124 688 F CA -0.336 57.705 58.000 0.069 0.000 1.426 688 F CB 0.198 39.264 39.000 0.110 0.000 1.120 688 F HN -0.110 nan 8.300 nan 0.000 0.583 689 I N 1.516 122.206 120.570 0.199 0.000 2.496 689 I HA -0.035 4.136 4.170 0.001 0.000 0.285 689 I C 1.031 177.174 176.117 0.042 0.000 1.080 689 I CA -0.008 61.376 61.300 0.140 0.000 1.404 689 I CB 0.413 38.464 38.000 0.085 0.000 1.403 689 I HN 0.119 nan 8.210 nan 0.000 0.539 690 D N 4.243 124.687 120.400 0.074 0.000 2.117 690 D HA -0.141 4.500 4.640 0.001 0.000 0.197 690 D C 1.353 177.658 176.300 0.009 0.000 0.987 690 D CA 1.538 55.562 54.000 0.039 0.000 0.829 690 D CB 0.511 41.365 40.800 0.090 0.000 0.961 690 D HN 0.616 nan 8.370 nan 0.000 0.460 691 Q N -0.277 119.543 119.800 0.033 0.000 3.076 691 Q HA 0.351 4.691 4.340 0.001 0.000 0.212 691 Q C 0.506 176.511 176.000 0.009 0.000 1.168 691 Q CA -0.369 55.454 55.803 0.033 0.000 0.333 691 Q CB 0.358 29.120 28.738 0.039 0.000 5.777 691 Q HN -0.068 nan 8.270 nan 0.000 0.315 692 S N -1.143 114.558 115.700 0.001 0.000 2.841 692 S HA 0.692 5.162 4.470 0.001 0.000 0.318 692 S C -1.475 173.109 174.600 -0.027 0.000 1.127 692 S CA -0.685 57.511 58.200 -0.007 0.000 0.883 692 S CB 0.928 64.126 63.200 -0.005 0.000 1.271 692 S HN 0.326 nan 8.310 nan 0.000 0.567 693 I N 1.186 121.734 120.570 -0.037 0.000 2.569 693 I HA 0.312 4.482 4.170 0.001 0.000 0.290 693 I C -0.411 175.675 176.117 -0.052 0.000 1.088 693 I CA -0.283 60.985 61.300 -0.053 0.000 1.047 693 I CB 2.326 40.279 38.000 -0.080 0.000 1.237 693 I HN 0.404 nan 8.210 nan 0.000 0.421 694 S N 4.953 120.603 115.700 -0.084 0.000 3.024 694 S HA 0.413 4.883 4.470 0.001 0.000 0.316 694 S C 0.208 174.855 174.600 0.078 0.000 1.197 694 S CA -0.440 57.683 58.200 -0.128 0.000 1.097 694 S CB -0.376 62.684 63.200 -0.234 0.000 1.471 694 S HN 0.590 nan 8.310 nan 0.000 0.543 695 A N 4.246 127.151 122.820 0.140 0.000 2.301 695 A HA 0.515 4.836 4.320 0.001 0.000 0.312 695 A C 0.261 178.035 177.584 0.317 0.000 1.182 695 A CA -0.831 51.372 52.037 0.277 0.000 0.826 695 A CB 0.576 19.714 19.000 0.230 0.000 1.134 695 A HN 0.705 nan 8.150 nan 0.000 0.501 696 N N 0.317 119.211 118.700 0.322 0.000 2.466 696 N HA 0.546 5.286 4.740 0.001 0.000 0.294 696 N C -0.562 174.980 175.510 0.054 0.000 1.129 696 N CA -0.259 52.886 53.050 0.160 0.000 0.931 696 N CB 1.811 40.326 38.487 0.046 0.000 1.193 696 N HN 0.752 nan 8.380 nan 0.000 0.500 697 T N -0.880 113.714 114.554 0.066 0.000 2.855 697 T HA 0.522 4.873 4.350 0.001 0.000 0.281 697 T C -0.692 173.912 174.700 -0.161 0.000 1.007 697 T CA -0.960 61.119 62.100 -0.035 0.000 1.009 697 T CB 0.888 69.846 68.868 0.150 0.000 0.983 697 T HN 0.414 nan 8.240 nan 0.000 0.455 698 N N 1.121 119.570 118.700 -0.418 0.000 2.296 698 N HA 0.588 5.329 4.740 0.001 0.000 0.294 698 N C -1.816 173.443 175.510 -0.417 0.000 1.033 698 N CA -0.745 52.143 53.050 -0.269 0.000 0.839 698 N CB 1.505 39.775 38.487 -0.361 0.000 1.395 698 N HN 0.636 nan 8.380 nan 0.000 0.479 699 Y N -0.481 120.056 120.300 0.396 0.000 2.477 699 Y HA 0.413 4.964 4.550 0.001 0.000 0.347 699 Y C -0.775 175.303 175.900 0.297 0.000 0.981 699 Y CA -0.997 57.312 58.100 0.347 0.000 1.033 699 Y CB 1.922 40.472 38.460 0.150 0.000 1.245 699 Y HN 0.407 nan 8.280 nan 0.000 0.455 700 D N 3.741 124.401 120.400 0.432 0.000 2.425 700 D HA 0.360 5.000 4.640 0.001 0.000 0.240 700 D C -2.250 174.220 176.300 0.284 0.000 1.080 700 D CA -2.711 51.343 54.000 0.091 0.000 0.836 700 D CB 2.363 43.166 40.800 0.004 0.000 1.125 700 D HN 0.142 nan 8.370 nan 0.000 0.525 701 P HA -0.087 nan 4.420 nan 0.000 0.217 701 P C 1.302 178.724 177.300 0.203 0.000 1.150 701 P CA 0.790 64.017 63.100 0.212 0.000 0.832 701 P CB 0.296 32.029 31.700 0.054 0.000 0.787 702 S N -0.025 115.715 115.700 0.066 0.000 2.392 702 S HA -0.198 4.273 4.470 0.001 0.000 0.232 702 S C 1.758 176.361 174.600 0.005 0.000 1.041 702 S CA 1.209 59.422 58.200 0.022 0.000 1.026 702 S CB -0.761 62.424 63.200 -0.026 0.000 0.845 702 S HN 0.254 nan 8.310 nan 0.000 0.465 703 R N -0.119 120.360 120.500 -0.037 0.000 2.339 703 R HA 0.122 4.463 4.340 0.001 0.000 0.199 703 R C -0.607 175.358 176.300 -0.558 0.000 1.018 703 R CA 0.454 56.380 56.100 -0.291 0.000 1.036 703 R CB -0.158 29.888 30.300 -0.423 0.000 0.899 703 R HN 0.363 nan 8.270 nan 0.000 0.473 704 F N 1.075 121.047 119.950 0.036 0.000 2.508 704 F HA 0.348 4.876 4.527 0.001 0.000 0.325 704 F C -1.883 173.928 175.800 0.018 0.000 1.090 704 F CA -3.342 54.677 58.000 0.032 0.000 0.945 704 F CB 1.168 40.187 39.000 0.032 0.000 1.156 704 F HN -0.209 nan 8.300 nan 0.000 0.463 705 P HA 0.009 nan 4.420 nan 0.000 0.263 705 P C 0.067 177.429 177.300 0.103 0.000 1.195 705 P CA 0.538 63.702 63.100 0.106 0.000 0.762 705 P CB 1.044 32.797 31.700 0.087 0.000 0.799 706 S N 2.042 117.783 115.700 0.069 0.000 3.382 706 S HA -0.163 4.307 4.470 0.001 0.000 0.293 706 S C 1.163 175.795 174.600 0.055 0.000 1.262 706 S CA 1.191 59.422 58.200 0.050 0.000 0.969 706 S CB -2.071 61.153 63.200 0.040 0.000 1.136 706 S HN 1.108 nan 8.310 nan 0.000 0.635 707 G N 0.894 109.744 108.800 0.084 0.000 2.258 707 G HA2 -0.349 3.612 3.960 0.001 0.000 0.274 707 G HA3 -0.349 3.612 3.960 0.001 0.000 0.274 707 G C -0.312 174.627 174.900 0.064 0.000 1.021 707 G CA 1.042 46.195 45.100 0.089 0.000 0.798 707 G HN 0.903 nan 8.290 nan 0.000 0.507 708 K N -0.398 120.037 120.400 0.057 0.000 2.376 708 K HA 0.657 4.978 4.320 0.001 0.000 0.257 708 K C -0.161 176.330 176.600 -0.182 0.000 0.939 708 K CA -1.218 55.042 56.287 -0.045 0.000 0.809 708 K CB 2.917 35.396 32.500 -0.035 0.000 1.121 708 K HN 0.052 nan 8.250 nan 0.000 0.425 709 V N 3.028 122.710 119.914 -0.387 0.000 2.470 709 V HA 0.146 4.267 4.120 0.001 0.000 0.276 709 V C -1.793 174.016 176.094 -0.475 0.000 1.040 709 V CA -1.541 60.274 62.300 -0.810 0.000 1.008 709 V CB -0.240 31.101 31.823 -0.804 0.000 0.990 709 V HN 0.745 nan 8.190 nan 0.000 0.477 710 P HA 0.152 nan 4.420 nan 0.000 0.271 710 P C 0.513 177.704 177.300 -0.182 0.000 1.216 710 P CA -0.497 62.496 63.100 -0.177 0.000 0.776 710 P CB 0.748 32.421 31.700 -0.045 0.000 0.881 711 M N 2.609 122.144 119.600 -0.107 0.000 2.279 711 M HA -0.187 4.293 4.480 0.001 0.000 0.264 711 M C 1.932 178.208 176.300 -0.039 0.000 1.062 711 M CA 1.835 57.091 55.300 -0.073 0.000 1.099 711 M CB -0.894 31.689 32.600 -0.028 0.000 1.394 711 M HN 0.300 nan 8.290 nan 0.000 0.426 712 Q N -0.003 119.785 119.800 -0.020 0.000 2.030 712 Q HA -0.254 4.087 4.340 0.001 0.000 0.204 712 Q C 2.168 178.184 176.000 0.027 0.000 0.986 712 Q CA 2.402 58.212 55.803 0.012 0.000 0.843 712 Q CB -0.441 28.315 28.738 0.029 0.000 0.904 712 Q HN 0.650 nan 8.270 nan 0.000 0.420 713 Q N -0.257 119.554 119.800 0.018 0.000 2.084 713 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 713 Q C 1.933 177.964 176.000 0.052 0.000 0.978 713 Q CA 1.650 57.498 55.803 0.074 0.000 0.844 713 Q CB -0.361 28.444 28.738 0.111 0.000 0.898 713 Q HN 0.531 nan 8.270 nan 0.000 0.426 714 L N -0.487 120.679 121.223 -0.096 0.000 2.042 714 L HA -0.216 4.124 4.340 0.001 0.000 0.210 714 L C 2.323 179.244 176.870 0.084 0.000 1.076 714 L CA 1.163 55.965 54.840 -0.063 0.000 0.749 714 L CB -0.548 41.426 42.059 -0.142 0.000 0.893 714 L HN 0.268 nan 8.230 nan 0.000 0.432 715 L N -0.302 120.959 121.223 0.064 0.000 2.109 715 L HA -0.172 4.168 4.340 0.001 0.000 0.207 715 L C 2.654 179.571 176.870 0.078 0.000 1.086 715 L CA 0.915 55.801 54.840 0.077 0.000 0.760 715 L CB -0.454 41.623 42.059 0.030 0.000 0.910 715 L HN 0.204 nan 8.230 nan 0.000 0.437 716 K N 0.613 121.062 120.400 0.082 0.000 2.026 716 K HA -0.202 4.119 4.320 0.001 0.000 0.208 716 K C 1.587 178.266 176.600 0.133 0.000 1.048 716 K CA 1.863 58.205 56.287 0.091 0.000 0.929 716 K CB -0.242 32.319 32.500 0.100 0.000 0.713 716 K HN 0.131 nan 8.250 nan 0.000 0.439 717 D N 0.277 120.794 120.400 0.194 0.000 2.144 717 D HA -0.139 4.502 4.640 0.001 0.000 0.199 717 D C 1.834 178.268 176.300 0.223 0.000 0.984 717 D CA 1.019 55.164 54.000 0.242 0.000 0.834 717 D CB -0.288 40.724 40.800 0.353 0.000 0.955 717 D HN 0.199 nan 8.370 nan 0.000 0.465 718 L N 0.558 121.909 121.223 0.215 0.000 1.989 718 L HA -0.150 4.190 4.340 0.001 0.000 0.211 718 L C 2.149 179.097 176.870 0.130 0.000 1.071 718 L CA 1.519 56.493 54.840 0.223 0.000 0.749 718 L CB -0.531 41.688 42.059 0.268 0.000 0.890 718 L HN 0.012 nan 8.230 nan 0.000 0.431 719 L N -1.601 119.647 121.223 0.042 0.000 2.056 719 L HA -0.184 4.156 4.340 0.001 0.000 0.207 719 L C 2.346 179.209 176.870 -0.012 0.000 1.078 719 L CA 1.571 56.362 54.840 -0.081 0.000 0.749 719 L CB -1.357 40.640 42.059 -0.104 0.000 0.901 719 L HN 0.241 nan 8.230 nan 0.000 0.433 720 T N 0.358 114.944 114.554 0.054 0.000 2.624 720 T HA -0.301 4.050 4.350 0.001 0.000 0.268 720 T C 2.080 176.874 174.700 0.156 0.000 1.041 720 T CA 1.712 63.867 62.100 0.091 0.000 1.159 720 T CB -0.412 68.579 68.868 0.205 0.000 0.863 720 T HN 0.481 nan 8.240 nan 0.000 0.434 721 A N 0.511 123.451 122.820 0.200 0.000 1.873 721 A HA -0.175 4.145 4.320 0.001 0.000 0.218 721 A C 2.126 179.819 177.584 0.182 0.000 1.193 721 A CA 2.073 54.243 52.037 0.222 0.000 0.629 721 A CB -1.214 17.929 19.000 0.238 0.000 0.826 721 A HN 0.630 nan 8.150 nan 0.000 0.447 722 Y N 0.557 120.862 120.300 0.008 0.000 2.181 722 Y HA -0.213 4.337 4.550 0.001 0.000 0.288 722 Y C 2.401 178.318 175.900 0.028 0.000 1.146 722 Y CA 2.404 60.502 58.100 -0.003 0.000 1.164 722 Y CB -0.225 37.992 38.460 -0.406 0.000 0.982 722 Y HN 0.353 nan 8.280 nan 0.000 0.515 723 K N -0.556 119.836 120.400 -0.014 0.000 2.103 723 K HA -0.190 4.130 4.320 0.001 0.000 0.207 723 K C 0.689 177.052 176.600 -0.395 0.000 1.048 723 K CA 1.684 57.827 56.287 -0.239 0.000 0.930 723 K CB -0.434 31.824 32.500 -0.404 0.000 0.716 723 K HN 0.306 nan 8.250 nan 0.000 0.444 724 F N 0.504 120.409 119.950 -0.076 0.000 2.713 724 F HA 0.297 4.825 4.527 0.001 0.000 0.294 724 F C 1.163 176.831 175.800 -0.220 0.000 1.152 724 F CA 0.135 58.065 58.000 -0.117 0.000 1.385 724 F CB 0.526 39.489 39.000 -0.062 0.000 0.981 724 F HN 0.267 nan 8.300 nan 0.000 0.514 725 G N 0.326 108.958 108.800 -0.281 0.000 2.168 725 G HA2 -0.284 3.676 3.960 0.001 0.000 0.257 725 G HA3 -0.284 3.676 3.960 0.001 0.000 0.257 725 G C 0.227 174.945 174.900 -0.303 0.000 0.997 725 G CA 0.151 44.858 45.100 -0.655 0.000 0.708 725 G HN 0.173 nan 8.290 nan 0.000 0.520 726 V N 0.148 120.044 119.914 -0.030 0.000 2.540 726 V HA 0.092 4.213 4.120 0.001 0.000 0.297 726 V C 1.793 177.988 176.094 0.169 0.000 1.024 726 V CA 1.377 63.722 62.300 0.075 0.000 1.105 726 V CB 1.196 33.096 31.823 0.128 0.000 0.938 726 V HN 0.497 nan 8.190 nan 0.000 0.482 727 K N 2.302 122.781 120.400 0.131 0.000 2.044 727 K HA 0.002 4.322 4.320 0.001 0.000 0.204 727 K C 0.841 177.544 176.600 0.171 0.000 1.049 727 K CA 1.306 57.693 56.287 0.167 0.000 0.945 727 K CB 0.066 32.631 32.500 0.109 0.000 0.724 727 K HN 0.911 nan 8.250 nan 0.000 0.440 728 T N -2.105 112.536 114.554 0.144 0.000 2.887 728 T HA 0.629 4.979 4.350 0.001 0.000 0.292 728 T C -0.763 174.044 174.700 0.179 0.000 1.087 728 T CA -0.995 61.202 62.100 0.162 0.000 1.009 728 T CB 1.594 70.526 68.868 0.108 0.000 1.203 728 T HN -0.103 nan 8.240 nan 0.000 0.518 729 L N 1.746 123.098 121.223 0.213 0.000 2.441 729 L HA 0.461 4.801 4.340 0.001 0.000 0.270 729 L C -0.977 176.040 176.870 0.244 0.000 0.973 729 L CA -0.960 54.024 54.840 0.241 0.000 0.842 729 L CB 1.940 44.167 42.059 0.280 0.000 1.239 729 L HN 0.720 nan 8.230 nan 0.000 0.406 730 Y N 3.119 123.402 120.300 -0.029 0.000 2.979 730 Y HA 0.318 4.868 4.550 0.001 0.000 0.458 730 Y C 0.276 176.172 175.900 -0.007 0.000 1.310 730 Y CA -0.564 57.328 58.100 -0.346 0.000 1.777 730 Y CB 0.148 38.356 38.460 -0.419 0.000 1.606 730 Y HN 0.277 nan 8.280 nan 0.000 0.769 731 Y N 1.805 121.830 120.300 -0.459 0.000 2.861 731 Y HA 0.028 4.578 4.550 0.001 0.000 0.344 731 Y C 0.596 176.517 175.900 0.034 0.000 1.272 731 Y CA 0.423 58.395 58.100 -0.213 0.000 1.502 731 Y CB -0.133 38.133 38.460 -0.322 0.000 1.333 731 Y HN 0.280 nan 8.280 nan 0.000 0.634 732 Q N 3.187 123.159 119.800 0.287 0.000 2.333 732 Q HA 0.325 4.666 4.340 0.001 0.000 0.268 732 Q C -1.442 174.658 176.000 0.167 0.000 1.007 732 Q CA -0.907 55.035 55.803 0.231 0.000 0.810 732 Q CB 0.686 29.588 28.738 0.272 0.000 1.264 732 Q HN 0.639 nan 8.270 nan 0.000 0.452 733 N N 2.394 121.185 118.700 0.152 0.000 2.430 733 N HA 0.431 5.171 4.740 0.001 0.000 0.292 733 N C -1.229 174.486 175.510 0.342 0.000 1.051 733 N CA -0.221 52.938 53.050 0.182 0.000 0.917 733 N CB 2.069 40.652 38.487 0.159 0.000 1.164 733 N HN 0.445 nan 8.380 nan 0.000 0.484 734 T N 2.034 116.741 114.554 0.256 0.000 2.848 734 T HA 0.677 5.027 4.350 0.001 0.000 0.285 734 T C 0.117 174.785 174.700 -0.052 0.000 0.995 734 T CA -0.588 61.605 62.100 0.155 0.000 0.970 734 T CB 1.802 70.728 68.868 0.096 0.000 0.976 734 T HN 0.465 nan 8.240 nan 0.000 0.441 735 R N 0.945 121.201 120.500 -0.406 0.000 3.962 735 R HA -0.025 4.316 4.340 0.001 0.000 0.224 735 R C -1.411 174.039 176.300 -1.417 0.000 0.804 735 R CA -0.217 55.512 56.100 -0.618 0.000 0.710 735 R CB -0.368 29.733 30.300 -0.333 0.000 1.429 735 R HN 0.887 nan 8.270 nan 0.000 0.452 736 D N -1.458 118.303 120.400 -1.064 0.000 2.539 736 D HA 0.280 4.920 4.640 0.001 0.000 0.232 736 D C 0.266 176.192 176.300 -0.623 0.000 1.256 736 D CA 0.167 53.558 54.000 -1.016 0.000 0.810 736 D CB 1.649 42.199 40.800 -0.417 0.000 1.090 736 D HN 0.702 nan 8.370 nan 0.000 0.519 737 G N 0.267 108.787 108.800 -0.467 0.000 4.002 737 G HA2 0.622 4.583 3.960 0.001 0.000 0.280 737 G HA3 0.622 4.583 3.960 0.001 0.000 0.280 737 G C -0.146 174.793 174.900 0.066 0.000 3.418 737 G CA 0.009 45.094 45.100 -0.025 0.000 0.589 737 G HN 0.802 nan 8.290 nan 0.000 0.283 738 A N 0.000 123.009 122.820 0.315 0.000 2.254 738 A HA 0.000 4.320 4.320 0.001 0.000 0.244 738 A CA 0.000 52.204 52.037 0.278 0.000 0.836 738 A CB 0.000 19.064 19.000 0.107 0.000 0.831 738 A HN 0.000 nan 8.150 nan 0.000 0.486