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 2wes_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGNVR RIGVGQATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGXXXTSFS EACYLTHRLC EAKRAPRMLD GSLFASXXXX DATA SEQUENCE XXXXXXXXEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 2 I N 0.749 121.295 120.570 -0.040 0.000 2.577 2 I HA 0.558 4.731 4.170 0.004 0.000 0.300 2 I C 0.274 176.420 176.117 0.048 0.000 0.990 2 I CA -0.287 61.014 61.300 0.002 0.000 1.283 2 I CB 1.560 39.517 38.000 -0.072 0.000 1.411 2 I HN 0.964 nan 8.210 nan 0.000 0.515 3 R N 2.241 122.775 120.500 0.057 0.000 2.225 3 R HA 0.236 4.578 4.340 0.004 0.000 0.194 3 R C -0.028 176.307 176.300 0.058 0.000 0.949 3 R CA 0.696 56.823 56.100 0.045 0.000 1.088 3 R CB 0.436 30.752 30.300 0.028 0.000 1.106 3 R HN 0.909 nan 8.270 nan 0.000 0.566 4 S N 0.121 115.852 115.700 0.051 0.000 2.521 4 S HA 0.575 5.048 4.470 0.004 0.000 0.295 4 S C -0.670 173.913 174.600 -0.028 0.000 1.098 4 S CA -0.784 57.425 58.200 0.015 0.000 0.999 4 S CB 2.494 65.685 63.200 -0.014 0.000 1.034 4 S HN -0.086 nan 8.310 nan 0.000 0.483 5 V N 2.776 122.673 119.914 -0.029 0.000 2.495 5 V HA 0.579 4.702 4.120 0.004 0.000 0.298 5 V C -0.619 175.380 176.094 -0.159 0.000 1.031 5 V CA -0.723 61.526 62.300 -0.085 0.000 0.871 5 V CB 1.732 33.579 31.823 0.040 0.000 0.988 5 V HN 0.846 nan 8.190 nan 0.000 0.432 6 V N 6.196 125.931 119.914 -0.298 0.000 2.378 6 V HA 0.489 4.611 4.120 0.004 0.000 0.288 6 V C -0.197 175.830 176.094 -0.111 0.000 1.016 6 V CA -0.330 61.841 62.300 -0.215 0.000 0.840 6 V CB 1.524 33.175 31.823 -0.287 0.000 0.994 6 V HN 0.687 nan 8.190 nan 0.000 0.431 7 I N 5.240 125.754 120.570 -0.093 0.000 2.331 7 I HA 0.402 4.575 4.170 0.004 0.000 0.292 7 I C -0.334 175.728 176.117 -0.091 0.000 0.998 7 I CA -0.631 60.606 61.300 -0.105 0.000 1.267 7 I CB 1.768 39.658 38.000 -0.184 0.000 1.386 7 I HN 0.261 nan 8.210 nan 0.000 0.476 8 V N 5.636 125.518 119.914 -0.055 0.000 2.328 8 V HA 0.833 4.956 4.120 0.004 0.000 0.278 8 V C 0.365 176.406 176.094 -0.088 0.000 1.021 8 V CA -0.412 61.859 62.300 -0.047 0.000 0.838 8 V CB 0.676 32.499 31.823 -0.000 0.000 0.999 8 V HN 1.064 nan 8.190 nan 0.000 0.447 9 G N 3.314 112.046 108.800 -0.114 0.000 2.931 9 G HA2 0.326 4.289 3.960 0.004 0.000 0.675 9 G HA3 0.326 4.289 3.960 0.004 0.000 0.675 9 G C -0.046 174.724 174.900 -0.217 0.000 1.339 9 G CA -0.409 44.619 45.100 -0.119 0.000 0.866 9 G HN 1.148 nan 8.290 nan 0.000 0.616 10 G N 0.394 109.115 108.800 -0.131 0.000 4.331 10 G HA2 0.685 4.648 3.960 0.004 0.000 0.299 10 G HA3 0.685 4.648 3.960 0.004 0.000 0.299 10 G C 0.828 175.790 174.900 0.103 0.000 1.158 10 G CA 0.980 45.984 45.100 -0.159 0.000 0.916 10 G HN 1.274 nan 8.290 nan 0.000 0.553 11 G N -0.110 108.702 108.800 0.019 0.000 2.494 11 G HA2 0.329 4.292 3.960 0.004 0.000 0.270 11 G HA3 0.329 4.292 3.960 0.004 0.000 0.270 11 G C 1.198 176.169 174.900 0.118 0.000 1.423 11 G CA 0.517 45.663 45.100 0.077 0.000 1.055 11 G HN 0.068 nan 8.290 nan 0.000 0.536 12 T N 0.751 115.353 114.554 0.079 0.000 2.759 12 T HA -0.112 4.240 4.350 0.004 0.000 0.269 12 T C 2.713 177.414 174.700 0.003 0.000 1.042 12 T CA 1.898 64.036 62.100 0.063 0.000 1.140 12 T CB -0.419 68.475 68.868 0.043 0.000 0.864 12 T HN 0.584 nan 8.240 nan 0.000 0.455 13 A N 1.587 124.384 122.820 -0.038 0.000 1.845 13 A HA 0.124 4.447 4.320 0.004 0.000 0.215 13 A C 2.685 180.210 177.584 -0.098 0.000 1.195 13 A CA 1.882 53.877 52.037 -0.071 0.000 0.616 13 A CB -1.504 17.453 19.000 -0.072 0.000 0.832 13 A HN 0.496 nan 8.150 nan 0.000 0.443 14 G N -1.509 107.196 108.800 -0.159 0.000 2.476 14 G HA2 -0.288 3.675 3.960 0.004 0.000 0.218 14 G HA3 -0.288 3.675 3.960 0.004 0.000 0.218 14 G C 1.442 176.140 174.900 -0.337 0.000 1.164 14 G CA 1.073 45.986 45.100 -0.312 0.000 0.768 14 G HN 0.679 nan 8.290 nan 0.000 0.560 15 W N 0.177 121.467 121.300 -0.018 0.000 2.476 15 W HA 0.231 4.894 4.660 0.005 0.000 0.281 15 W C 2.938 179.473 176.519 0.027 0.000 1.230 15 W CA 0.167 57.509 57.345 -0.006 0.000 1.287 15 W CB -0.135 29.313 29.460 -0.020 0.000 1.108 15 W HN 0.096 nan 8.180 nan 0.000 0.567 16 M N -0.293 119.408 119.600 0.167 0.000 2.080 16 M HA -0.208 4.274 4.480 0.004 0.000 0.260 16 M C 1.957 178.383 176.300 0.210 0.000 1.068 16 M CA 2.074 57.458 55.300 0.141 0.000 1.109 16 M CB -1.020 31.442 32.600 -0.231 0.000 1.342 16 M HN -0.120 nan 8.290 nan 0.000 0.405 17 T N 0.753 115.349 114.554 0.071 0.000 2.674 17 T HA -0.114 4.238 4.350 0.004 0.000 0.265 17 T C 1.913 176.673 174.700 0.099 0.000 1.039 17 T CA 1.570 63.703 62.100 0.056 0.000 1.150 17 T CB -0.484 68.363 68.868 -0.035 0.000 0.864 17 T HN 0.498 nan 8.240 nan 0.000 0.427 18 A N 1.678 124.539 122.820 0.068 0.000 1.873 18 A HA -0.170 4.153 4.320 0.004 0.000 0.218 18 A C 2.635 180.335 177.584 0.192 0.000 1.193 18 A CA 2.337 54.437 52.037 0.105 0.000 0.629 18 A CB -1.121 17.943 19.000 0.106 0.000 0.826 18 A HN 0.460 nan 8.150 nan 0.000 0.447 19 S N -1.885 113.975 115.700 0.267 0.000 2.356 19 S HA -0.181 4.292 4.470 0.004 0.000 0.223 19 S C 1.879 176.574 174.600 0.157 0.000 1.032 19 S CA 1.568 59.924 58.200 0.260 0.000 1.005 19 S CB -0.626 62.650 63.200 0.127 0.000 0.867 19 S HN 0.632 nan 8.310 nan 0.000 0.449 20 Y N 2.103 122.422 120.300 0.033 0.000 2.181 20 Y HA -0.102 4.451 4.550 0.004 0.000 0.288 20 Y C 2.034 177.885 175.900 -0.082 0.000 1.146 20 Y CA 1.280 59.360 58.100 -0.033 0.000 1.164 20 Y CB -0.352 38.114 38.460 0.010 0.000 0.982 20 Y HN 0.136 nan 8.280 nan 0.000 0.515 21 L N -0.269 120.992 121.223 0.064 0.000 2.042 21 L HA -0.277 4.066 4.340 0.004 0.000 0.210 21 L C 2.487 179.270 176.870 -0.146 0.000 1.076 21 L CA 1.371 56.133 54.840 -0.129 0.000 0.749 21 L CB -0.533 41.517 42.059 -0.015 0.000 0.893 21 L HN 0.110 nan 8.230 nan 0.000 0.432 22 K N 0.069 120.457 120.400 -0.019 0.000 2.057 22 K HA -0.075 4.247 4.320 0.004 0.000 0.206 22 K C 2.156 178.720 176.600 -0.061 0.000 1.050 22 K CA 1.437 57.721 56.287 -0.005 0.000 0.935 22 K CB -0.395 32.128 32.500 0.039 0.000 0.715 22 K HN 0.277 nan 8.250 nan 0.000 0.439 23 A N 1.046 123.815 122.820 -0.085 0.000 1.969 23 A HA -0.044 4.278 4.320 0.004 0.000 0.218 23 A C 2.315 179.734 177.584 -0.275 0.000 1.169 23 A CA 1.897 53.822 52.037 -0.186 0.000 0.635 23 A CB -0.375 18.470 19.000 -0.258 0.000 0.810 23 A HN 0.291 nan 8.150 nan 0.000 0.445 24 A N -1.639 121.005 122.820 -0.293 0.000 1.898 24 A HA 0.264 4.586 4.320 0.004 0.000 0.214 24 A C 1.535 179.026 177.584 -0.155 0.000 1.183 24 A CA 1.344 53.176 52.037 -0.340 0.000 0.622 24 A CB -0.306 18.220 19.000 -0.790 0.000 0.824 24 A HN 0.447 nan 8.150 nan 0.000 0.444 25 F N -1.306 118.576 119.950 -0.113 0.000 2.728 25 F HA 0.224 4.754 4.527 0.004 0.000 0.314 25 F C 0.985 176.725 175.800 -0.100 0.000 1.094 25 F CA -0.749 57.174 58.000 -0.128 0.000 1.217 25 F CB -0.390 38.497 39.000 -0.190 0.000 1.056 25 F HN 0.290 nan 8.300 nan 0.000 0.577 26 D N 1.596 122.036 120.400 0.066 0.000 3.750 26 D HA -0.341 4.302 4.640 0.004 0.000 0.149 26 D C 1.056 177.370 176.300 0.024 0.000 0.867 26 D CA 2.411 56.418 54.000 0.011 0.000 1.010 26 D CB -0.756 40.032 40.800 -0.021 0.000 0.462 26 D HN 0.306 nan 8.370 nan 0.000 0.436 27 D N -0.185 120.218 120.400 0.004 0.000 2.336 27 D HA -0.014 4.628 4.640 0.004 0.000 0.229 27 D C 1.217 177.515 176.300 -0.003 0.000 1.061 27 D CA 0.307 54.307 54.000 -0.001 0.000 0.875 27 D CB -0.456 40.336 40.800 -0.013 0.000 0.904 27 D HN 0.402 nan 8.370 nan 0.000 0.525 28 R N -0.252 120.247 120.500 -0.002 0.000 2.363 28 R HA 0.295 4.637 4.340 0.004 0.000 0.236 28 R C -0.252 176.012 176.300 -0.060 0.000 0.966 28 R CA -0.174 55.898 56.100 -0.047 0.000 1.100 28 R CB 0.053 30.296 30.300 -0.095 0.000 1.125 28 R HN 0.184 nan 8.270 nan 0.000 0.514 29 I N 0.279 120.859 120.570 0.015 0.000 2.692 29 I HA 0.175 4.348 4.170 0.004 0.000 0.293 29 I C -1.708 174.440 176.117 0.051 0.000 1.200 29 I CA -0.854 60.474 61.300 0.047 0.000 1.036 29 I CB 2.342 40.431 38.000 0.148 0.000 1.258 29 I HN -0.132 nan 8.210 nan 0.000 0.421 30 D N 6.667 127.094 120.400 0.046 0.000 2.193 30 D HA 0.555 5.197 4.640 0.004 0.000 0.244 30 D C -0.899 175.423 176.300 0.036 0.000 1.064 30 D CA -0.046 53.975 54.000 0.035 0.000 0.845 30 D CB 2.309 43.122 40.800 0.022 0.000 1.148 30 D HN 0.171 nan 8.370 nan 0.000 0.464 31 V N 1.984 121.918 119.914 0.034 0.000 2.531 31 V HA 0.452 4.575 4.120 0.004 0.000 0.301 31 V C 0.022 176.126 176.094 0.016 0.000 1.034 31 V CA -0.535 61.779 62.300 0.023 0.000 0.865 31 V CB 2.181 34.028 31.823 0.040 0.000 0.995 31 V HN 0.503 nan 8.190 nan 0.000 0.424 32 T N 5.852 120.399 114.554 -0.012 0.000 2.824 32 T HA 0.644 4.997 4.350 0.004 0.000 0.282 32 T C -0.777 173.895 174.700 -0.046 0.000 0.993 32 T CA -0.311 61.786 62.100 -0.006 0.000 0.967 32 T CB 1.603 70.465 68.868 -0.010 0.000 0.960 32 T HN 0.523 nan 8.240 nan 0.000 0.441 33 L N 3.989 125.186 121.223 -0.042 0.000 2.333 33 L HA 0.773 5.116 4.340 0.004 0.000 0.280 33 L C -1.264 175.589 176.870 -0.029 0.000 1.004 33 L CA -0.744 54.013 54.840 -0.139 0.000 0.820 33 L CB 1.097 42.881 42.059 -0.458 0.000 1.247 33 L HN 0.407 nan 8.230 nan 0.000 0.416 34 V N 4.544 124.420 119.914 -0.064 0.000 2.409 34 V HA 0.496 4.619 4.120 0.004 0.000 0.291 34 V C -0.532 175.540 176.094 -0.036 0.000 1.020 34 V CA -0.510 61.763 62.300 -0.045 0.000 0.848 34 V CB 1.498 33.298 31.823 -0.038 0.000 0.990 34 V HN 0.850 nan 8.190 nan 0.000 0.430 35 E N 2.571 122.773 120.200 0.004 0.000 2.314 35 E HA 0.579 4.931 4.350 0.004 0.000 0.272 35 E C -0.790 175.831 176.600 0.035 0.000 0.884 35 E CA -0.681 55.741 56.400 0.036 0.000 0.753 35 E CB 2.026 31.802 29.700 0.126 0.000 1.213 35 E HN 0.431 nan 8.360 nan 0.000 0.432 36 S N 1.435 117.155 115.700 0.034 0.000 2.549 36 S HA 0.204 4.677 4.470 0.004 0.000 0.283 36 S C 1.081 175.713 174.600 0.054 0.000 1.320 36 S CA 0.267 58.489 58.200 0.036 0.000 1.058 36 S CB 0.491 63.710 63.200 0.032 0.000 0.882 36 S HN 0.700 nan 8.310 nan 0.000 0.498 37 G N 3.175 112.003 108.800 0.047 0.000 2.744 37 G HA2 -0.034 3.929 3.960 0.004 0.000 0.211 37 G HA3 -0.034 3.929 3.960 0.004 0.000 0.211 37 G C 0.827 175.758 174.900 0.052 0.000 1.143 37 G CA 0.554 45.687 45.100 0.054 0.000 0.788 37 G HN 0.885 nan 8.290 nan 0.000 0.534 38 N N -1.629 117.099 118.700 0.046 0.000 2.211 38 N HA 0.100 4.843 4.740 0.004 0.000 0.216 38 N C -0.043 175.492 175.510 0.040 0.000 1.240 38 N CA -0.170 52.905 53.050 0.042 0.000 0.895 38 N CB 0.664 39.173 38.487 0.037 0.000 1.102 38 N HN -0.028 nan 8.380 nan 0.000 0.498 39 V N 2.608 122.545 119.914 0.038 0.000 2.408 39 V HA 0.280 4.402 4.120 0.004 0.000 0.267 39 V C 0.248 176.365 176.094 0.040 0.000 1.047 39 V CA -0.643 61.678 62.300 0.034 0.000 0.937 39 V CB 0.447 32.285 31.823 0.025 0.000 0.999 39 V HN 0.240 nan 8.190 nan 0.000 0.472 40 R N 4.571 125.096 120.500 0.042 0.000 2.438 40 R HA 0.284 4.626 4.340 0.004 0.000 0.287 40 R C 0.569 176.891 176.300 0.037 0.000 1.077 40 R CA -0.378 55.751 56.100 0.049 0.000 1.034 40 R CB 0.768 31.100 30.300 0.053 0.000 0.993 40 R HN 0.840 nan 8.270 nan 0.000 0.459 41 R N 1.929 122.456 120.500 0.045 0.000 2.679 41 R HA 0.219 4.561 4.340 0.004 0.000 0.269 41 R C 0.210 176.526 176.300 0.026 0.000 1.076 41 R CA -0.640 55.476 56.100 0.027 0.000 1.160 41 R CB 0.398 30.731 30.300 0.055 0.000 1.054 41 R HN 0.327 nan 8.270 nan 0.000 0.507 42 I N 2.284 122.848 120.570 -0.009 0.000 2.662 42 I HA -0.023 4.150 4.170 0.004 0.000 0.285 42 I C 1.135 177.285 176.117 0.054 0.000 1.161 42 I CA 0.720 62.024 61.300 0.007 0.000 1.415 42 I CB 0.511 38.473 38.000 -0.062 0.000 1.385 42 I HN 1.065 nan 8.210 nan 0.000 0.552 43 G N 6.098 114.949 108.800 0.084 0.000 3.377 43 G HA2 0.318 4.281 3.960 0.004 0.000 0.257 43 G HA3 0.318 4.281 3.960 0.004 0.000 0.257 43 G C 0.439 175.420 174.900 0.134 0.000 1.038 43 G CA -0.024 45.139 45.100 0.106 0.000 0.809 43 G HN 0.530 nan 8.290 nan 0.000 0.526 44 V N -1.101 118.901 119.914 0.147 0.000 3.432 44 V HA 0.670 4.792 4.120 0.004 0.000 0.304 44 V C 1.054 177.258 176.094 0.183 0.000 1.107 44 V CA -0.363 62.049 62.300 0.186 0.000 1.153 44 V CB 0.233 32.200 31.823 0.240 0.000 1.072 44 V HN 0.181 nan 8.190 nan 0.000 0.485 45 G N 1.809 110.731 108.800 0.204 0.000 2.398 45 G HA2 0.451 4.414 3.960 0.004 0.000 0.246 45 G HA3 0.451 4.414 3.960 0.004 0.000 0.246 45 G C -0.373 174.573 174.900 0.076 0.000 1.289 45 G CA -0.416 44.794 45.100 0.184 0.000 0.869 45 G HN 0.878 nan 8.290 nan 0.000 0.543 46 Q N 0.083 119.924 119.800 0.069 0.000 2.394 46 Q HA 0.620 4.963 4.340 0.004 0.000 0.273 46 Q C -0.478 175.444 176.000 -0.130 0.000 1.089 46 Q CA -0.953 54.813 55.803 -0.063 0.000 0.812 46 Q CB 2.557 31.309 28.738 0.024 0.000 1.353 46 Q HN 0.671 nan 8.270 nan 0.000 0.438 47 A N 1.092 123.876 122.820 -0.059 0.000 2.295 47 A HA 0.811 5.134 4.320 0.004 0.000 0.318 47 A C -0.041 177.524 177.584 -0.032 0.000 1.134 47 A CA -0.280 51.772 52.037 0.025 0.000 0.827 47 A CB 0.973 20.077 19.000 0.174 0.000 1.136 47 A HN 0.756 nan 8.150 nan 0.000 0.493 48 T N -1.728 112.829 114.554 0.005 0.000 2.858 48 T HA 0.734 5.086 4.350 0.004 0.000 0.285 48 T C -0.601 174.236 174.700 0.227 0.000 1.052 48 T CA -0.487 61.680 62.100 0.110 0.000 1.009 48 T CB 1.047 69.996 68.868 0.135 0.000 1.241 48 T HN 0.775 nan 8.240 nan 0.000 0.542 49 F N 0.164 120.124 119.950 0.017 0.000 2.594 49 F HA 0.548 5.077 4.527 0.004 0.000 0.335 49 F C 1.564 177.153 175.800 -0.352 0.000 1.058 49 F CA -0.889 57.022 58.000 -0.149 0.000 0.981 49 F CB 1.780 40.624 39.000 -0.261 0.000 1.289 49 F HN 0.691 nan 8.300 nan 0.000 0.490 50 S N -0.774 113.722 115.700 -2.007 0.000 2.442 50 S HA -0.181 4.292 4.470 0.004 0.000 0.236 50 S C 1.648 175.840 174.600 -0.680 0.000 1.007 50 S CA 1.383 58.743 58.200 -1.401 0.000 0.965 50 S CB -1.317 61.018 63.200 -1.441 0.000 0.773 50 S HN 0.834 nan 8.310 nan 0.000 0.504 51 T N -0.782 113.542 114.554 -0.384 0.000 3.085 51 T HA 0.148 4.500 4.350 0.004 0.000 0.263 51 T C 1.539 176.332 174.700 0.154 0.000 1.127 51 T CA 0.528 62.688 62.100 0.100 0.000 1.103 51 T CB -0.521 68.625 68.868 0.463 0.000 0.921 51 T HN 0.195 nan 8.240 nan 0.000 0.510 52 V N 3.120 123.111 119.914 0.128 0.000 2.594 52 V HA -0.213 3.910 4.120 0.004 0.000 0.253 52 V C 2.903 179.229 176.094 0.388 0.000 1.069 52 V CA 2.074 64.544 62.300 0.283 0.000 1.082 52 V CB -0.696 31.354 31.823 0.378 0.000 0.680 52 V HN 0.703 nan 8.190 nan 0.000 0.469 53 R N -1.041 119.607 120.500 0.247 0.000 2.127 53 R HA -0.226 4.117 4.340 0.004 0.000 0.238 53 R C 2.032 178.446 176.300 0.189 0.000 1.134 53 R CA 2.137 58.385 56.100 0.248 0.000 0.975 53 R CB -0.974 29.297 30.300 -0.049 0.000 0.865 53 R HN 0.572 nan 8.270 nan 0.000 0.447 54 H N -0.227 118.983 119.070 0.233 0.000 2.423 54 H HA -0.086 4.473 4.556 0.005 0.000 0.297 54 H C 1.788 177.252 175.328 0.227 0.000 1.075 54 H CA 1.430 57.601 56.048 0.204 0.000 1.342 54 H CB -0.372 29.492 29.762 0.170 0.000 1.395 54 H HN 0.279 nan 8.280 nan 0.000 0.530 55 F N 1.015 121.066 119.950 0.168 0.000 2.084 55 F HA -0.192 4.338 4.527 0.004 0.000 0.296 55 F C 2.006 177.728 175.800 -0.131 0.000 1.111 55 F CA 1.177 59.170 58.000 -0.011 0.000 1.224 55 F CB -0.567 38.284 39.000 -0.248 0.000 0.991 55 F HN -0.104 nan 8.300 nan 0.000 0.471 56 F N 1.051 121.010 119.950 0.015 0.000 2.134 56 F HA -0.183 4.347 4.527 0.005 0.000 0.299 56 F C 2.335 178.087 175.800 -0.081 0.000 1.097 56 F CA 1.545 59.428 58.000 -0.194 0.000 1.264 56 F CB -1.036 37.785 39.000 -0.298 0.000 1.001 56 F HN -0.021 nan 8.300 nan 0.000 0.479 57 D N -0.869 119.660 120.400 0.216 0.000 2.123 57 D HA -0.254 4.389 4.640 0.004 0.000 0.196 57 D C 2.034 178.376 176.300 0.069 0.000 0.992 57 D CA 1.376 55.472 54.000 0.160 0.000 0.833 57 D CB -0.786 40.136 40.800 0.203 0.000 0.954 57 D HN 0.315 nan 8.370 nan 0.000 0.455 58 Y N 0.699 120.948 120.300 -0.085 0.000 2.224 58 Y HA -0.152 4.401 4.550 0.005 0.000 0.289 58 Y C 1.977 177.698 175.900 -0.297 0.000 1.146 58 Y CA 0.913 58.897 58.100 -0.193 0.000 1.182 58 Y CB -0.144 38.181 38.460 -0.225 0.000 0.983 58 Y HN -0.115 nan 8.280 nan 0.000 0.524 59 L N 0.094 121.142 121.223 -0.292 0.000 2.465 59 L HA 0.101 4.444 4.340 0.004 0.000 0.224 59 L C 1.826 178.652 176.870 -0.073 0.000 1.145 59 L CA 1.473 56.111 54.840 -0.336 0.000 0.834 59 L CB -1.013 40.618 42.059 -0.712 0.000 0.944 59 L HN 0.449 nan 8.230 nan 0.000 0.451 60 G N -0.523 108.244 108.800 -0.055 0.000 2.147 60 G HA2 -0.266 3.697 3.960 0.004 0.000 0.244 60 G HA3 -0.266 3.697 3.960 0.004 0.000 0.244 60 G C 0.113 175.081 174.900 0.113 0.000 1.005 60 G CA 0.135 45.250 45.100 0.025 0.000 0.713 60 G HN 0.265 nan 8.290 nan 0.000 0.515 61 L N 0.575 121.891 121.223 0.155 0.000 2.287 61 L HA 0.493 4.835 4.340 0.004 0.000 0.287 61 L C 0.257 177.314 176.870 0.313 0.000 1.022 61 L CA -0.942 54.055 54.840 0.262 0.000 0.814 61 L CB 1.525 43.784 42.059 0.333 0.000 1.217 61 L HN 0.201 nan 8.230 nan 0.000 0.420 62 D N 1.193 121.746 120.400 0.255 0.000 2.341 62 D HA -0.006 4.637 4.640 0.004 0.000 0.245 62 D C 1.265 177.681 176.300 0.194 0.000 1.106 62 D CA -0.162 53.965 54.000 0.212 0.000 0.905 62 D CB 1.156 42.032 40.800 0.126 0.000 1.202 62 D HN 0.692 nan 8.370 nan 0.000 0.426 63 E N 2.745 123.003 120.200 0.097 0.000 2.160 63 E HA -0.283 4.070 4.350 0.004 0.000 0.195 63 E C 1.526 177.850 176.600 -0.461 0.000 0.991 63 E CA 0.872 57.061 56.400 -0.352 0.000 0.810 63 E CB -0.007 29.632 29.700 -0.101 0.000 0.742 63 E HN 0.416 nan 8.360 nan 0.000 0.466 64 R N 0.351 120.757 120.500 -0.156 0.000 2.159 64 R HA -0.156 4.186 4.340 0.004 0.000 0.237 64 R C 2.172 178.353 176.300 -0.199 0.000 1.131 64 R CA 1.590 57.597 56.100 -0.155 0.000 0.982 64 R CB -0.131 30.140 30.300 -0.048 0.000 0.868 64 R HN 0.302 nan 8.270 nan 0.000 0.453 65 E N 0.543 120.660 120.200 -0.140 0.000 2.042 65 E HA -0.135 4.217 4.350 0.004 0.000 0.189 65 E C 1.794 178.301 176.600 -0.155 0.000 0.974 65 E CA 1.240 57.607 56.400 -0.055 0.000 0.806 65 E CB -0.307 29.458 29.700 0.107 0.000 0.769 65 E HN 0.470 nan 8.360 nan 0.000 0.451 66 W N 0.270 121.372 121.300 -0.331 0.000 2.576 66 W HA 0.098 4.761 4.660 0.005 0.000 0.275 66 W C 1.397 177.507 176.519 -0.681 0.000 1.241 66 W CA -0.045 56.886 57.345 -0.691 0.000 1.328 66 W CB -0.768 28.261 29.460 -0.719 0.000 1.092 66 W HN 0.145 nan 8.180 nan 0.000 0.586 67 L N 2.906 123.242 121.223 -1.478 0.000 2.017 67 L HA -0.048 4.295 4.340 0.004 0.000 0.208 67 L C -0.560 175.902 176.870 -0.680 0.000 1.073 67 L CA 2.198 56.228 54.840 -1.350 0.000 0.745 67 L CB -1.928 39.286 42.059 -1.409 0.000 0.894 67 L HN -0.265 nan 8.230 nan 0.000 0.432 68 P HA -0.135 nan 4.420 nan 0.000 0.220 68 P C 1.256 178.361 177.300 -0.325 0.000 1.148 68 P CA 1.385 64.208 63.100 -0.463 0.000 0.803 68 P CB -0.066 31.384 31.700 -0.415 0.000 0.782 69 R N -1.640 118.674 120.500 -0.310 0.000 2.307 69 R HA 0.066 4.409 4.340 0.004 0.000 0.199 69 R C 0.424 176.633 176.300 -0.152 0.000 1.000 69 R CA 0.502 56.480 56.100 -0.203 0.000 1.023 69 R CB -0.363 29.825 30.300 -0.186 0.000 0.908 69 R HN 0.206 nan 8.270 nan 0.000 0.473 70 C N 0.098 119.296 119.300 -0.170 0.000 2.742 70 C HA 0.426 4.889 4.460 0.004 0.000 0.283 70 C C 0.835 175.849 174.990 0.041 0.000 1.451 70 C CA -0.440 58.549 59.018 -0.049 0.000 1.785 70 C CB -0.229 27.487 27.740 -0.039 0.000 2.664 70 C HN 0.511 nan 8.230 nan 0.000 0.544 71 A N 0.504 123.325 122.820 0.001 0.000 2.799 71 A HA -0.059 4.264 4.320 0.004 0.000 0.287 71 A C 0.820 178.471 177.584 0.111 0.000 1.484 71 A CA 0.806 52.895 52.037 0.087 0.000 0.813 71 A CB -1.773 17.320 19.000 0.155 0.000 1.009 71 A HN 0.996 nan 8.150 nan 0.000 0.545 72 G N -1.055 107.726 108.800 -0.032 0.000 2.441 72 G HA2 0.609 4.572 3.960 0.004 0.000 0.243 72 G HA3 0.609 4.572 3.960 0.004 0.000 0.243 72 G C 0.444 175.327 174.900 -0.027 0.000 1.281 72 G CA 0.498 45.579 45.100 -0.032 0.000 0.854 72 G HN 1.599 nan 8.290 nan 0.000 0.560 73 G N -0.558 108.284 108.800 0.071 0.000 2.816 73 G HA2 0.581 4.543 3.960 0.004 0.000 0.288 73 G HA3 0.581 4.543 3.960 0.004 0.000 0.288 73 G C -1.535 173.356 174.900 -0.015 0.000 1.334 73 G CA -0.934 44.212 45.100 0.076 0.000 0.978 73 G HN 0.507 nan 8.290 nan 0.000 0.493 74 Y N -0.175 120.253 120.300 0.212 0.000 2.334 74 Y HA 0.502 5.055 4.550 0.004 0.000 0.328 74 Y C 0.663 176.554 175.900 -0.016 0.000 1.130 74 Y CA -0.313 57.824 58.100 0.062 0.000 1.163 74 Y CB 1.991 40.420 38.460 -0.051 0.000 1.207 74 Y HN 0.302 nan 8.280 nan 0.000 0.471 75 K N 4.157 124.568 120.400 0.019 0.000 2.507 75 K HA 0.375 4.698 4.320 0.004 0.000 0.253 75 K C -0.479 176.255 176.600 0.222 0.000 0.969 75 K CA -0.236 56.039 56.287 -0.020 0.000 0.908 75 K CB 0.474 32.795 32.500 -0.299 0.000 1.127 75 K HN 0.844 nan 8.250 nan 0.000 0.437 76 L N 2.515 123.850 121.223 0.187 0.000 2.567 76 L HA 0.316 4.659 4.340 0.004 0.000 0.225 76 L C 0.948 177.797 176.870 -0.036 0.000 1.119 76 L CA 0.265 55.199 54.840 0.155 0.000 0.871 76 L CB 0.458 42.541 42.059 0.039 0.000 1.036 76 L HN 0.925 nan 8.230 nan 0.000 0.459 77 G N -0.080 108.624 108.800 -0.160 0.000 2.344 77 G HA2 0.269 4.231 3.960 0.004 0.000 0.282 77 G HA3 0.269 4.231 3.960 0.004 0.000 0.282 77 G C -1.732 173.070 174.900 -0.162 0.000 1.281 77 G CA -0.758 44.070 45.100 -0.453 0.000 0.877 77 G HN -0.119 nan 8.290 nan 0.000 0.494 78 I N 0.640 121.120 120.570 -0.149 0.000 2.466 78 I HA 0.484 4.657 4.170 0.004 0.000 0.289 78 I C 0.196 176.196 176.117 -0.195 0.000 1.026 78 I CA -0.731 60.477 61.300 -0.153 0.000 1.078 78 I CB 2.219 40.017 38.000 -0.337 0.000 1.249 78 I HN 0.503 nan 8.210 nan 0.000 0.429 79 R N 6.072 126.394 120.500 -0.298 0.000 2.202 79 R HA 0.429 4.772 4.340 0.004 0.000 0.334 79 R C -1.588 174.356 176.300 -0.593 0.000 1.036 79 R CA -0.325 55.416 56.100 -0.598 0.000 0.878 79 R CB 0.525 30.397 30.300 -0.713 0.000 1.067 79 R HN 0.367 nan 8.270 nan 0.000 0.457 80 F N 3.040 122.588 119.950 -0.671 0.000 2.391 80 F HA 0.264 4.793 4.527 0.004 0.000 0.359 80 F C 0.390 176.046 175.800 -0.240 0.000 1.122 80 F CA -0.229 57.403 58.000 -0.613 0.000 1.120 80 F CB 1.466 39.668 39.000 -1.330 0.000 1.142 80 F HN 0.471 nan 8.300 nan 0.000 0.483 81 E N 2.827 123.194 120.200 0.278 0.000 2.199 81 E HA 0.317 4.669 4.350 0.004 0.000 0.265 81 E C -0.401 176.347 176.600 0.245 0.000 0.882 81 E CA -0.481 56.056 56.400 0.228 0.000 0.759 81 E CB 0.684 30.420 29.700 0.059 0.000 1.148 81 E HN 0.589 nan 8.360 nan 0.000 0.412 82 N N 2.653 121.461 118.700 0.180 0.000 2.782 82 N HA -0.194 4.548 4.740 0.004 0.000 0.251 82 N C -0.276 175.161 175.510 -0.121 0.000 1.101 82 N CA 0.887 53.941 53.050 0.008 0.000 0.764 82 N CB -1.344 37.082 38.487 -0.100 0.000 1.122 82 N HN 0.638 nan 8.380 nan 0.000 0.561 83 W N 0.849 122.114 121.300 -0.058 0.000 2.595 83 W HA 0.035 4.698 4.660 0.004 0.000 0.257 83 W C 2.415 178.807 176.519 -0.211 0.000 1.267 83 W CA 1.251 58.500 57.345 -0.160 0.000 1.300 83 W CB -0.186 29.260 29.460 -0.025 0.000 1.120 83 W HN 0.386 nan 8.180 nan 0.000 0.618 84 S N -1.465 114.269 115.700 0.057 0.000 2.811 84 S HA 0.184 4.657 4.470 0.004 0.000 0.237 84 S C 0.421 174.986 174.600 -0.058 0.000 1.038 84 S CA -0.017 58.174 58.200 -0.016 0.000 0.881 84 S CB 0.169 63.389 63.200 0.034 0.000 0.815 84 S HN 0.052 nan 8.310 nan 0.000 0.582 85 E N 1.279 121.468 120.200 -0.019 0.000 2.356 85 E HA 0.485 4.838 4.350 0.004 0.000 0.275 85 E C -3.126 173.469 176.600 -0.009 0.000 0.904 85 E CA -2.663 53.724 56.400 -0.023 0.000 0.757 85 E CB 2.064 31.765 29.700 0.002 0.000 1.232 85 E HN 0.164 nan 8.360 nan 0.000 0.442 86 P HA 0.028 nan 4.420 nan 0.000 0.264 86 P C 0.584 177.900 177.300 0.026 0.000 1.193 86 P CA 0.950 64.045 63.100 -0.008 0.000 0.763 86 P CB 0.406 32.096 31.700 -0.017 0.000 0.810 87 G N 1.252 110.081 108.800 0.049 0.000 2.179 87 G HA2 -0.196 3.767 3.960 0.004 0.000 0.260 87 G HA3 -0.196 3.767 3.960 0.004 0.000 0.260 87 G C 0.041 175.034 174.900 0.156 0.000 0.977 87 G CA -0.223 44.932 45.100 0.091 0.000 0.641 87 G HN 0.527 nan 8.290 nan 0.000 0.533 88 E N -0.345 119.941 120.200 0.144 0.000 2.214 88 E HA 0.688 5.040 4.350 0.004 0.000 0.274 88 E C -0.094 176.663 176.600 0.262 0.000 0.977 88 E CA -0.412 56.079 56.400 0.152 0.000 0.827 88 E CB 1.644 31.401 29.700 0.096 0.000 1.130 88 E HN 0.754 nan 8.360 nan 0.000 0.394 89 Y N -0.369 119.995 120.300 0.106 0.000 2.725 89 Y HA 0.715 5.268 4.550 0.004 0.000 0.333 89 Y C -1.331 174.670 175.900 0.168 0.000 1.242 89 Y CA -1.567 56.568 58.100 0.058 0.000 1.059 89 Y CB 1.120 39.509 38.460 -0.119 0.000 1.306 89 Y HN 0.454 nan 8.280 nan 0.000 0.454 90 F N -1.463 118.528 119.950 0.069 0.000 2.713 90 F HA 0.738 5.268 4.527 0.004 0.000 0.311 90 F C -2.384 173.406 175.800 -0.017 0.000 1.141 90 F CA -1.925 56.085 58.000 0.016 0.000 0.939 90 F CB 1.001 40.028 39.000 0.045 0.000 1.325 90 F HN 0.494 nan 8.300 nan 0.000 0.453 91 Y N 0.663 121.160 120.300 0.329 0.000 2.361 91 Y HA 0.367 4.920 4.550 0.004 0.000 0.332 91 Y C -0.148 175.982 175.900 0.383 0.000 1.101 91 Y CA -0.464 57.730 58.100 0.157 0.000 1.137 91 Y CB 1.096 39.565 38.460 0.014 0.000 1.207 91 Y HN 0.791 nan 8.280 nan 0.000 0.463 92 H N 5.209 124.471 119.070 0.321 0.000 2.690 92 H HA 0.337 4.896 4.556 0.004 0.000 0.280 92 H C -2.744 172.606 175.328 0.037 0.000 1.138 92 H CA -2.640 53.562 56.048 0.257 0.000 1.241 92 H CB 0.824 30.778 29.762 0.320 0.000 1.394 92 H HN 0.399 nan 8.280 nan 0.000 0.489 93 P HA 0.108 nan 4.420 nan 0.000 0.281 93 P C -0.861 176.387 177.300 -0.088 0.000 1.264 93 P CA -0.679 62.310 63.100 -0.184 0.000 0.824 93 P CB 1.355 32.870 31.700 -0.309 0.000 1.092 94 F N 0.986 120.973 119.950 0.061 0.000 2.451 94 F HA 0.414 4.944 4.527 0.004 0.000 0.356 94 F C 1.000 176.797 175.800 -0.005 0.000 1.178 94 F CA 0.091 58.155 58.000 0.105 0.000 1.210 94 F CB -0.309 38.724 39.000 0.055 0.000 1.504 94 F HN 0.317 nan 8.300 nan 0.000 0.598 95 E N 2.148 122.273 120.200 -0.126 0.000 2.388 95 E HA 0.323 4.675 4.350 0.004 0.000 0.289 95 E C -0.957 175.221 176.600 -0.704 0.000 0.944 95 E CA -0.821 55.417 56.400 -0.269 0.000 0.792 95 E CB 1.430 31.123 29.700 -0.011 0.000 1.239 95 E HN 0.428 nan 8.360 nan 0.000 0.412 96 R N 2.852 123.046 120.500 -0.510 0.000 2.490 96 R HA 0.358 4.701 4.340 0.004 0.000 0.278 96 R C -0.031 176.219 176.300 -0.083 0.000 1.069 96 R CA -0.427 55.436 56.100 -0.395 0.000 1.080 96 R CB 0.663 30.856 30.300 -0.178 0.000 1.030 96 R HN 0.423 nan 8.270 nan 0.000 0.491 97 L N 3.154 124.418 121.223 0.069 0.000 2.426 97 L HA 0.165 4.507 4.340 0.004 0.000 0.271 97 L C 0.840 177.738 176.870 0.048 0.000 1.169 97 L CA 0.133 55.036 54.840 0.104 0.000 0.836 97 L CB 0.406 42.574 42.059 0.181 0.000 1.112 97 L HN 0.406 nan 8.230 nan 0.000 0.465 98 R N 1.482 121.992 120.500 0.016 0.000 2.615 98 R HA 0.438 4.781 4.340 0.004 0.000 0.270 98 R C -0.941 175.396 176.300 0.060 0.000 1.081 98 R CA -0.536 55.572 56.100 0.013 0.000 1.154 98 R CB 0.910 31.197 30.300 -0.022 0.000 1.063 98 R HN 0.309 nan 8.270 nan 0.000 0.519 99 V N 2.414 122.368 119.914 0.067 0.000 2.448 99 V HA 0.313 4.436 4.120 0.004 0.000 0.295 99 V C -0.589 175.585 176.094 0.132 0.000 1.025 99 V CA -0.699 61.677 62.300 0.126 0.000 0.859 99 V CB 1.896 33.773 31.823 0.089 0.000 0.988 99 V HN 0.404 nan 8.190 nan 0.000 0.431 100 V N 3.816 123.885 119.914 0.258 0.000 2.444 100 V HA 0.450 4.573 4.120 0.004 0.000 0.294 100 V C -0.119 176.240 176.094 0.441 0.000 1.022 100 V CA -0.547 61.874 62.300 0.202 0.000 0.850 100 V CB 1.437 33.195 31.823 -0.108 0.000 0.992 100 V HN 0.990 nan 8.190 nan 0.000 0.426 101 D N 4.492 125.054 120.400 0.271 0.000 2.708 101 D HA -0.189 4.454 4.640 0.004 0.000 0.236 101 D C 1.310 177.825 176.300 0.358 0.000 1.146 101 D CA 1.807 55.994 54.000 0.312 0.000 0.662 101 D CB -1.115 39.914 40.800 0.383 0.000 1.059 101 D HN 1.392 nan 8.370 nan 0.000 0.428 102 G N -1.659 107.255 108.800 0.189 0.000 2.199 102 G HA2 -0.325 3.638 3.960 0.004 0.000 0.254 102 G HA3 -0.325 3.638 3.960 0.004 0.000 0.254 102 G C 0.168 174.910 174.900 -0.263 0.000 0.982 102 G CA 0.266 45.337 45.100 -0.049 0.000 0.632 102 G HN 0.414 nan 8.290 nan 0.000 0.529 103 F N 1.550 121.579 119.950 0.133 0.000 2.508 103 F HA 0.579 5.109 4.527 0.005 0.000 0.325 103 F C 0.495 176.379 175.800 0.141 0.000 1.090 103 F CA -0.846 57.157 58.000 0.004 0.000 0.945 103 F CB 1.438 40.214 39.000 -0.374 0.000 1.156 103 F HN 0.248 nan 8.300 nan 0.000 0.463 104 N N 1.734 120.585 118.700 0.253 0.000 2.424 104 N HA 0.082 4.825 4.740 0.004 0.000 0.257 104 N C 0.685 176.404 175.510 0.350 0.000 1.250 104 N CA -0.408 52.795 53.050 0.256 0.000 0.946 104 N CB 0.507 39.109 38.487 0.192 0.000 1.175 104 N HN 0.469 nan 8.380 nan 0.000 0.477 105 M N -0.252 119.524 119.600 0.293 0.000 2.279 105 M HA -0.045 4.438 4.480 0.004 0.000 0.264 105 M C 1.827 178.424 176.300 0.495 0.000 1.062 105 M CA 1.209 56.691 55.300 0.303 0.000 1.099 105 M CB -1.848 30.767 32.600 0.025 0.000 1.394 105 M HN 0.824 nan 8.290 nan 0.000 0.426 106 A N 0.392 123.469 122.820 0.427 0.000 1.877 106 A HA -0.151 4.171 4.320 0.004 0.000 0.216 106 A C 2.145 179.948 177.584 0.366 0.000 1.186 106 A CA 1.448 53.751 52.037 0.443 0.000 0.620 106 A CB -0.461 18.667 19.000 0.213 0.000 0.822 106 A HN 0.423 nan 8.150 nan 0.000 0.443 107 E N -0.737 119.598 120.200 0.225 0.000 2.058 107 E HA -0.244 4.109 4.350 0.004 0.000 0.194 107 E C 1.874 178.492 176.600 0.029 0.000 0.997 107 E CA 1.355 57.788 56.400 0.056 0.000 0.801 107 E CB -0.468 29.211 29.700 -0.035 0.000 0.746 107 E HN 0.884 nan 8.360 nan 0.000 0.450 108 W N 0.114 121.556 121.300 0.238 0.000 2.363 108 W HA -0.181 4.482 4.660 0.005 0.000 0.296 108 W C 2.287 179.060 176.519 0.424 0.000 1.212 108 W CA 0.336 57.842 57.345 0.269 0.000 1.260 108 W CB -0.704 28.897 29.460 0.235 0.000 1.131 108 W HN 0.224 nan 8.180 nan 0.000 0.530 109 W N 0.716 122.395 121.300 0.632 0.000 2.338 109 W HA -0.212 4.451 4.660 0.004 0.000 0.304 109 W C 1.955 178.564 176.519 0.150 0.000 1.212 109 W CA 1.888 59.457 57.345 0.374 0.000 1.264 109 W CB -0.672 29.036 29.460 0.414 0.000 1.142 109 W HN -0.213 nan 8.180 nan 0.000 0.512 110 L N 0.264 121.573 121.223 0.144 0.000 2.191 110 L HA -0.158 4.185 4.340 0.004 0.000 0.212 110 L C 2.575 179.340 176.870 -0.176 0.000 1.103 110 L CA 1.322 56.083 54.840 -0.132 0.000 0.769 110 L CB -1.055 41.013 42.059 0.015 0.000 0.908 110 L HN 0.134 nan 8.230 nan 0.000 0.438 111 A N -0.534 122.254 122.820 -0.052 0.000 1.943 111 A HA 0.045 4.368 4.320 0.004 0.000 0.213 111 A C 1.612 179.183 177.584 -0.021 0.000 1.181 111 A CA 1.229 53.245 52.037 -0.035 0.000 0.653 111 A CB 0.058 19.059 19.000 0.001 0.000 0.833 111 A HN 0.259 nan 8.150 nan 0.000 0.451 112 V N -3.480 116.450 119.914 0.026 0.000 3.172 112 V HA 0.578 4.701 4.120 0.004 0.000 0.343 112 V C 0.622 176.611 176.094 -0.174 0.000 1.429 112 V CA -0.018 62.279 62.300 -0.005 0.000 1.149 112 V CB -0.337 31.573 31.823 0.146 0.000 1.106 112 V HN 0.401 nan 8.190 nan 0.000 0.526 118 S N 2.550 118.286 115.700 0.060 0.000 2.600 118 S HA 0.465 4.937 4.470 0.004 0.000 0.265 118 S C 1.327 175.779 174.600 -0.247 0.000 1.325 118 S CA -0.569 57.645 58.200 0.024 0.000 1.002 118 S CB 0.304 63.474 63.200 -0.051 0.000 0.921 118 S HN 0.626 nan 8.310 nan 0.000 0.554 119 F N 2.583 122.039 119.950 -0.825 0.000 2.069 119 F HA -0.117 4.412 4.527 0.004 0.000 0.298 119 F C 2.511 177.897 175.800 -0.689 0.000 1.113 119 F CA 2.374 59.469 58.000 -1.508 0.000 1.214 119 F CB -1.191 36.895 39.000 -1.523 0.000 0.978 119 F HN 0.740 nan 8.300 nan 0.000 0.474 120 S N -0.521 114.729 115.700 -0.750 0.000 2.383 120 S HA -0.235 4.238 4.470 0.004 0.000 0.227 120 S C 2.033 176.384 174.600 -0.415 0.000 1.026 120 S CA 1.106 59.035 58.200 -0.453 0.000 0.981 120 S CB -0.946 62.435 63.200 0.302 0.000 0.818 120 S HN 0.707 nan 8.310 nan 0.000 0.472 121 E N 1.822 121.591 120.200 -0.718 0.000 2.077 121 E HA -0.122 4.231 4.350 0.004 0.000 0.193 121 E C 2.140 178.520 176.600 -0.366 0.000 0.989 121 E CA 1.046 56.923 56.400 -0.872 0.000 0.800 121 E CB -0.437 28.778 29.700 -0.808 0.000 0.746 121 E HN 0.657 nan 8.360 nan 0.000 0.452 122 A N -0.016 122.610 122.820 -0.322 0.000 1.898 122 A HA -0.142 4.181 4.320 0.004 0.000 0.216 122 A C 2.284 179.862 177.584 -0.010 0.000 1.181 122 A CA 1.315 53.287 52.037 -0.110 0.000 0.620 122 A CB -0.454 18.508 19.000 -0.063 0.000 0.819 122 A HN 0.497 nan 8.150 nan 0.000 0.442 123 C N -2.540 116.550 119.300 -0.351 0.000 2.735 123 C HA 0.342 4.805 4.460 0.004 0.000 0.271 123 C C -0.142 174.557 174.990 -0.485 0.000 1.281 123 C CA -0.414 58.333 59.018 -0.452 0.000 1.719 123 C CB -1.121 26.095 27.740 -0.873 0.000 2.024 123 C HN 0.507 nan 8.230 nan 0.000 0.566 124 Y N -0.105 120.127 120.300 -0.114 0.000 2.361 124 Y HA 0.401 4.953 4.550 0.004 0.000 0.337 124 Y C 0.867 176.787 175.900 0.033 0.000 0.965 124 Y CA -1.053 57.040 58.100 -0.012 0.000 1.091 124 Y CB 0.540 38.988 38.460 -0.020 0.000 1.182 124 Y HN -0.068 nan 8.280 nan 0.000 0.450 125 L N 0.656 122.032 121.223 0.256 0.000 2.013 125 L HA -0.250 4.092 4.340 0.004 0.000 0.212 125 L C 1.880 178.746 176.870 -0.006 0.000 1.073 125 L CA 2.021 56.927 54.840 0.111 0.000 0.753 125 L CB -0.704 41.423 42.059 0.113 0.000 0.890 125 L HN 0.747 nan 8.230 nan 0.000 0.432 126 T N -2.002 112.573 114.554 0.034 0.000 2.760 126 T HA -0.327 4.026 4.350 0.004 0.000 0.269 126 T C 1.720 176.286 174.700 -0.223 0.000 1.047 126 T CA 1.932 63.964 62.100 -0.114 0.000 1.139 126 T CB -0.495 68.354 68.868 -0.031 0.000 0.855 126 T HN 0.492 nan 8.240 nan 0.000 0.471 127 H N 1.180 120.130 119.070 -0.200 0.000 2.319 127 H HA -0.071 4.487 4.556 0.004 0.000 0.297 127 H C 2.525 177.670 175.328 -0.304 0.000 1.097 127 H CA 1.538 57.396 56.048 -0.317 0.000 1.285 127 H CB 0.162 29.881 29.762 -0.072 0.000 1.368 127 H HN 0.038 nan 8.280 nan 0.000 0.495 128 R N -0.155 120.335 120.500 -0.016 0.000 2.075 128 R HA -0.081 4.262 4.340 0.004 0.000 0.232 128 R C 2.375 178.582 176.300 -0.155 0.000 1.126 128 R CA 0.785 56.862 56.100 -0.038 0.000 0.963 128 R CB -0.849 29.436 30.300 -0.025 0.000 0.858 128 R HN 0.315 nan 8.270 nan 0.000 0.435 129 L N 0.499 121.575 121.223 -0.244 0.000 2.043 129 L HA -0.205 4.138 4.340 0.004 0.000 0.212 129 L C 2.588 179.328 176.870 -0.218 0.000 1.075 129 L CA 1.511 56.179 54.840 -0.288 0.000 0.752 129 L CB -0.914 40.880 42.059 -0.442 0.000 0.891 129 L HN 0.161 nan 8.230 nan 0.000 0.432 130 C N -1.186 117.924 119.300 -0.317 0.000 2.446 130 C HA -0.083 4.380 4.460 0.004 0.000 0.277 130 C C 2.649 177.601 174.990 -0.065 0.000 1.275 130 C CA 0.144 59.013 59.018 -0.248 0.000 1.727 130 C CB -0.638 26.521 27.740 -0.968 0.000 2.010 130 C HN 0.504 nan 8.230 nan 0.000 0.486 131 E N 1.013 121.109 120.200 -0.173 0.000 2.153 131 E HA -0.104 4.249 4.350 0.004 0.000 0.194 131 E C 2.102 178.723 176.600 0.036 0.000 0.988 131 E CA 1.456 57.857 56.400 0.002 0.000 0.811 131 E CB -0.388 29.331 29.700 0.032 0.000 0.746 131 E HN 0.665 nan 8.360 nan 0.000 0.466 132 A N 0.424 123.238 122.820 -0.010 0.000 2.275 132 A HA 0.047 4.369 4.320 0.004 0.000 0.212 132 A C 0.472 178.053 177.584 -0.004 0.000 1.201 132 A CA 0.015 52.047 52.037 -0.009 0.000 0.843 132 A CB -0.211 18.766 19.000 -0.038 0.000 0.873 132 A HN 0.171 nan 8.150 nan 0.000 0.492 133 K N -0.013 120.400 120.400 0.022 0.000 3.077 133 K HA -0.158 4.165 4.320 0.004 0.000 0.264 133 K C -0.449 176.145 176.600 -0.009 0.000 1.008 133 K CA 0.483 56.788 56.287 0.029 0.000 0.740 133 K CB -0.974 31.544 32.500 0.029 0.000 1.273 133 K HN 0.416 nan 8.250 nan 0.000 0.477 134 R N 0.240 120.698 120.500 -0.069 0.000 2.582 134 R HA 0.417 4.760 4.340 0.004 0.000 0.271 134 R C 0.650 176.851 176.300 -0.166 0.000 1.078 134 R CA 0.156 56.182 56.100 -0.124 0.000 1.127 134 R CB 0.577 30.752 30.300 -0.208 0.000 1.038 134 R HN 0.333 nan 8.270 nan 0.000 0.500 135 A N 3.784 126.491 122.820 -0.188 0.000 2.351 135 A HA 0.344 4.666 4.320 0.004 0.000 0.257 135 A C -1.482 175.782 177.584 -0.533 0.000 1.087 135 A CA -1.149 50.669 52.037 -0.364 0.000 0.798 135 A CB 0.140 18.974 19.000 -0.276 0.000 1.033 135 A HN 0.498 nan 8.150 nan 0.000 0.488 136 P HA 0.055 nan 4.420 nan 0.000 0.249 136 P C 0.009 177.068 177.300 -0.402 0.000 1.229 136 P CA 0.637 63.410 63.100 -0.546 0.000 0.788 136 P CB 0.275 31.397 31.700 -0.963 0.000 1.072 137 R N -0.451 119.653 120.500 -0.660 0.000 2.740 137 R HA 0.494 4.836 4.340 0.004 0.000 0.282 137 R C 0.466 176.506 176.300 -0.433 0.000 0.969 137 R CA -1.092 54.650 56.100 -0.596 0.000 0.918 137 R CB 1.392 31.102 30.300 -0.984 0.000 1.175 137 R HN -0.074 nan 8.270 nan 0.000 0.464 138 M N 2.526 122.009 119.600 -0.196 0.000 2.226 138 M HA 0.041 4.523 4.480 0.004 0.000 0.324 138 M C 1.612 177.957 176.300 0.075 0.000 1.112 138 M CA 0.322 55.592 55.300 -0.051 0.000 1.176 138 M CB 0.351 32.944 32.600 -0.012 0.000 1.430 138 M HN 0.658 nan 8.290 nan 0.000 0.462 139 L N 1.183 122.494 121.223 0.148 0.000 2.187 139 L HA -0.255 4.088 4.340 0.004 0.000 0.213 139 L C 1.595 178.579 176.870 0.190 0.000 1.100 139 L CA 1.276 56.250 54.840 0.224 0.000 0.765 139 L CB -0.667 41.461 42.059 0.116 0.000 0.904 139 L HN 0.734 nan 8.230 nan 0.000 0.437 140 D N -0.848 119.626 120.400 0.122 0.000 2.363 140 D HA -0.006 4.637 4.640 0.004 0.000 0.226 140 D C 1.498 177.870 176.300 0.120 0.000 1.020 140 D CA 0.862 54.918 54.000 0.094 0.000 0.892 140 D CB 0.073 40.905 40.800 0.054 0.000 0.900 140 D HN 0.283 nan 8.370 nan 0.000 0.531 141 G N -0.073 108.840 108.800 0.189 0.000 2.194 141 G HA2 -0.274 3.689 3.960 0.004 0.000 0.236 141 G HA3 -0.274 3.689 3.960 0.004 0.000 0.236 141 G C 0.389 175.323 174.900 0.057 0.000 0.987 141 G CA 0.304 45.518 45.100 0.190 0.000 0.635 141 G HN 0.862 nan 8.290 nan 0.000 0.520 142 S N 0.668 116.382 115.700 0.022 0.000 2.580 142 S HA 0.685 5.158 4.470 0.004 0.000 0.274 142 S C 0.395 174.962 174.600 -0.055 0.000 1.329 142 S CA -0.676 57.520 58.200 -0.006 0.000 1.036 142 S CB 2.061 65.261 63.200 0.001 0.000 0.919 142 S HN 0.878 nan 8.310 nan 0.000 0.515 143 L N 3.395 124.585 121.223 -0.055 0.000 2.456 143 L HA 0.234 4.577 4.340 0.004 0.000 0.272 143 L C 1.135 177.924 176.870 -0.135 0.000 1.189 143 L CA -0.470 54.305 54.840 -0.107 0.000 0.846 143 L CB -0.316 41.682 42.059 -0.101 0.000 1.111 143 L HN 0.869 nan 8.230 nan 0.000 0.475 144 F N 2.548 122.389 119.950 -0.182 0.000 2.269 144 F HA -0.062 4.467 4.527 0.004 0.000 0.301 144 F C 1.882 177.565 175.800 -0.195 0.000 1.082 144 F CA 1.050 58.921 58.000 -0.216 0.000 1.360 144 F CB -0.744 38.073 39.000 -0.305 0.000 1.041 144 F HN 0.525 nan 8.300 nan 0.000 0.512 145 A N 0.699 123.051 122.820 -0.781 0.000 1.997 145 A HA -0.148 4.175 4.320 0.004 0.000 0.221 145 A C 1.809 179.336 177.584 -0.095 0.000 1.172 145 A CA 1.588 53.376 52.037 -0.415 0.000 0.645 145 A CB -1.310 17.569 19.000 -0.202 0.000 0.813 145 A HN 0.629 nan 8.150 nan 0.000 0.454 160 Q N 0.194 119.996 119.800 0.003 0.000 2.408 160 Q HA 0.242 4.584 4.340 0.004 0.000 0.205 160 Q C 1.644 177.646 176.000 0.003 0.000 0.919 160 Q CA 0.413 56.218 55.803 0.003 0.000 0.932 160 Q CB 0.334 29.075 28.738 0.005 0.000 1.058 160 Q HN 0.190 nan 8.270 nan 0.000 0.517 161 R N 1.793 122.286 120.500 -0.013 0.000 2.148 161 R HA 0.018 4.360 4.340 0.004 0.000 0.227 161 R C 1.938 178.202 176.300 -0.060 0.000 1.103 161 R CA 1.534 57.611 56.100 -0.038 0.000 0.983 161 R CB -0.667 29.596 30.300 -0.060 0.000 0.874 161 R HN 0.377 nan 8.270 nan 0.000 0.451 162 A N -0.458 122.335 122.820 -0.045 0.000 1.968 162 A HA -0.099 4.224 4.320 0.004 0.000 0.217 162 A C 2.001 179.524 177.584 -0.102 0.000 1.169 162 A CA 1.178 53.187 52.037 -0.048 0.000 0.638 162 A CB -0.356 18.643 19.000 -0.001 0.000 0.812 162 A HN 0.356 nan 8.150 nan 0.000 0.446 163 Q N -1.121 118.576 119.800 -0.171 0.000 2.172 163 Q HA 0.017 4.359 4.340 0.004 0.000 0.200 163 Q C -0.643 174.926 176.000 -0.718 0.000 0.964 163 Q CA 1.122 56.669 55.803 -0.427 0.000 0.855 163 Q CB -0.146 28.300 28.738 -0.486 0.000 0.918 163 Q HN 0.576 nan 8.270 nan 0.000 0.444 164 F N 0.735 120.658 119.950 -0.046 0.000 2.660 164 F HA 0.355 4.885 4.527 0.005 0.000 0.352 164 F C -2.178 173.642 175.800 0.033 0.000 1.257 164 F CA -2.225 55.794 58.000 0.032 0.000 1.200 164 F CB 1.670 40.685 39.000 0.025 0.000 1.473 164 F HN -0.078 nan 8.300 nan 0.000 0.561 165 P HA 0.083 nan 4.420 nan 0.000 0.225 165 P C -0.492 176.648 177.300 -0.267 0.000 1.830 165 P CA -0.211 62.789 63.100 -0.166 0.000 1.051 165 P CB -0.732 30.822 31.700 -0.243 0.000 1.929 166 Y N 0.838 121.102 120.300 -0.059 0.000 2.511 166 Y HA 0.471 5.024 4.550 0.005 0.000 0.347 166 Y C 0.281 175.991 175.900 -0.318 0.000 1.257 166 Y CA -0.782 57.313 58.100 -0.007 0.000 1.469 166 Y CB 0.198 38.684 38.460 0.044 0.000 1.353 166 Y HN 0.373 nan 8.280 nan 0.000 0.617 167 A N 2.179 124.953 122.820 -0.077 0.000 3.120 167 A HA 0.821 5.144 4.320 0.004 0.000 0.213 167 A C -1.762 175.576 177.584 -0.410 0.000 1.202 167 A CA -0.968 50.853 52.037 -0.359 0.000 0.876 167 A CB 0.473 19.357 19.000 -0.193 0.000 1.456 167 A HN 0.813 nan 8.150 nan 0.000 0.530 168 Y N -1.639 118.704 120.300 0.072 0.000 2.576 168 Y HA 0.583 5.135 4.550 0.004 0.000 0.346 168 Y C -0.437 175.259 175.900 -0.340 0.000 1.018 168 Y CA -0.467 57.608 58.100 -0.043 0.000 1.050 168 Y CB 1.805 40.384 38.460 0.198 0.000 1.280 168 Y HN 0.703 nan 8.280 nan 0.000 0.474 169 H N 1.454 120.597 119.070 0.122 0.000 2.492 169 H HA 0.680 5.239 4.556 0.004 0.000 0.345 169 H C -1.048 174.298 175.328 0.029 0.000 1.136 169 H CA -0.822 55.203 56.048 -0.039 0.000 1.202 169 H CB 1.519 31.306 29.762 0.042 0.000 1.524 169 H HN 0.565 nan 8.280 nan 0.000 0.506 170 F N -1.424 118.702 119.950 0.294 0.000 2.779 170 F HA 0.294 4.824 4.527 0.004 0.000 0.316 170 F C -1.336 174.568 175.800 0.173 0.000 1.164 170 F CA -1.439 56.686 58.000 0.208 0.000 0.924 170 F CB 1.330 40.469 39.000 0.231 0.000 1.348 170 F HN 0.324 nan 8.300 nan 0.000 0.467 171 D N 1.229 121.929 120.400 0.501 0.000 2.295 171 D HA 0.350 4.993 4.640 0.004 0.000 0.248 171 D C 0.857 177.340 176.300 0.306 0.000 1.154 171 D CA 0.391 54.587 54.000 0.327 0.000 0.857 171 D CB 2.118 43.038 40.800 0.200 0.000 1.117 171 D HN 0.802 nan 8.370 nan 0.000 0.468 172 A N 4.657 127.653 122.820 0.293 0.000 1.902 172 A HA -0.193 4.130 4.320 0.004 0.000 0.217 172 A C 1.756 179.415 177.584 0.125 0.000 1.181 172 A CA 1.230 53.402 52.037 0.226 0.000 0.623 172 A CB -0.134 18.984 19.000 0.197 0.000 0.818 172 A HN 0.653 nan 8.150 nan 0.000 0.443 173 D N -0.320 120.150 120.400 0.117 0.000 2.104 173 D HA -0.135 4.508 4.640 0.004 0.000 0.194 173 D C 1.943 178.283 176.300 0.066 0.000 0.994 173 D CA 1.304 55.357 54.000 0.090 0.000 0.830 173 D CB -0.197 40.655 40.800 0.088 0.000 0.959 173 D HN 0.424 nan 8.370 nan 0.000 0.452 174 E N 0.633 120.874 120.200 0.068 0.000 2.051 174 E HA -0.118 4.235 4.350 0.004 0.000 0.192 174 E C 2.313 178.931 176.600 0.029 0.000 0.991 174 E CA 0.320 56.749 56.400 0.048 0.000 0.799 174 E CB -0.649 29.081 29.700 0.050 0.000 0.748 174 E HN 0.154 nan 8.360 nan 0.000 0.449 175 V N 1.268 121.155 119.914 -0.044 0.000 2.407 175 V HA -0.215 3.908 4.120 0.004 0.000 0.248 175 V C 2.211 178.313 176.094 0.013 0.000 1.055 175 V CA 2.116 64.353 62.300 -0.104 0.000 1.049 175 V CB -0.481 31.028 31.823 -0.524 0.000 0.662 175 V HN 0.255 nan 8.190 nan 0.000 0.455 176 A N -0.138 122.696 122.820 0.024 0.000 1.902 176 A HA -0.252 4.071 4.320 0.004 0.000 0.217 176 A C 2.350 179.860 177.584 -0.124 0.000 1.181 176 A CA 2.082 54.153 52.037 0.057 0.000 0.623 176 A CB -0.679 18.415 19.000 0.156 0.000 0.818 176 A HN 0.583 nan 8.150 nan 0.000 0.443 177 R N -2.206 118.248 120.500 -0.077 0.000 2.073 177 R HA -0.165 4.178 4.340 0.004 0.000 0.234 177 R C 2.124 178.337 176.300 -0.144 0.000 1.134 177 R CA 1.892 57.910 56.100 -0.137 0.000 0.952 177 R CB -0.495 29.787 30.300 -0.029 0.000 0.850 177 R HN 0.669 nan 8.270 nan 0.000 0.433 178 Y N 0.781 121.002 120.300 -0.131 0.000 2.181 178 Y HA -0.167 4.385 4.550 0.004 0.000 0.288 178 Y C 1.700 177.550 175.900 -0.082 0.000 1.146 178 Y CA 1.575 59.630 58.100 -0.076 0.000 1.164 178 Y CB -0.054 38.403 38.460 -0.005 0.000 0.982 178 Y HN 0.021 nan 8.280 nan 0.000 0.515 179 L N -0.481 120.703 121.223 -0.066 0.000 2.109 179 L HA -0.166 4.177 4.340 0.004 0.000 0.207 179 L C 2.729 179.434 176.870 -0.275 0.000 1.086 179 L CA 1.242 56.029 54.840 -0.088 0.000 0.760 179 L CB -0.867 41.255 42.059 0.105 0.000 0.910 179 L HN 0.316 nan 8.230 nan 0.000 0.437 180 S N -0.401 114.797 115.700 -0.837 0.000 2.374 180 S HA -0.299 4.173 4.470 0.004 0.000 0.227 180 S C 1.833 175.944 174.600 -0.815 0.000 1.037 180 S CA 1.649 58.828 58.200 -1.702 0.000 1.024 180 S CB -0.423 61.350 63.200 -2.378 0.000 0.861 180 S HN 0.499 nan 8.310 nan 0.000 0.456 181 E N 0.103 119.987 120.200 -0.526 0.000 2.051 181 E HA -0.194 4.159 4.350 0.004 0.000 0.192 181 E C 1.949 178.398 176.600 -0.252 0.000 0.991 181 E CA 1.240 57.437 56.400 -0.339 0.000 0.799 181 E CB -0.380 29.145 29.700 -0.292 0.000 0.748 181 E HN 0.733 nan 8.360 nan 0.000 0.449 182 Y N 0.593 120.659 120.300 -0.390 0.000 2.114 182 Y HA -0.316 4.237 4.550 0.004 0.000 0.282 182 Y C 2.048 177.850 175.900 -0.163 0.000 1.165 182 Y CA 2.210 60.140 58.100 -0.284 0.000 1.148 182 Y CB -0.372 37.914 38.460 -0.290 0.000 0.972 182 Y HN 0.143 nan 8.280 nan 0.000 0.504 183 A N -0.028 122.862 122.820 0.117 0.000 1.897 183 A HA -0.104 4.219 4.320 0.004 0.000 0.215 183 A C 2.216 179.824 177.584 0.041 0.000 1.181 183 A CA 1.692 53.825 52.037 0.161 0.000 0.620 183 A CB -0.998 18.241 19.000 0.399 0.000 0.821 183 A HN 0.581 nan 8.150 nan 0.000 0.443 184 I N -0.116 120.430 120.570 -0.040 0.000 2.315 184 I HA -0.223 3.949 4.170 0.004 0.000 0.248 184 I C 2.820 178.894 176.117 -0.073 0.000 1.117 184 I CA 0.896 62.174 61.300 -0.036 0.000 1.404 184 I CB -0.214 37.730 38.000 -0.093 0.000 1.071 184 I HN 0.330 nan 8.210 nan 0.000 0.419 185 A N 0.638 123.374 122.820 -0.140 0.000 2.070 185 A HA -0.133 4.190 4.320 0.004 0.000 0.220 185 A C 2.110 179.594 177.584 -0.166 0.000 1.159 185 A CA 1.327 53.267 52.037 -0.162 0.000 0.656 185 A CB -0.445 18.421 19.000 -0.223 0.000 0.800 185 A HN 0.381 nan 8.150 nan 0.000 0.453 186 R N -1.752 118.647 120.500 -0.170 0.000 2.507 186 R HA 0.319 4.662 4.340 0.004 0.000 0.298 186 R C 0.923 177.186 176.300 -0.062 0.000 0.999 186 R CA 0.510 56.522 56.100 -0.147 0.000 1.082 186 R CB 0.257 30.426 30.300 -0.218 0.000 1.246 186 R HN 0.592 nan 8.270 nan 0.000 0.553 187 G N 0.288 109.069 108.800 -0.030 0.000 2.159 187 G HA2 -0.231 3.731 3.960 0.004 0.000 0.227 187 G HA3 -0.231 3.731 3.960 0.004 0.000 0.227 187 G C 0.100 175.023 174.900 0.037 0.000 0.986 187 G CA -0.301 44.800 45.100 0.002 0.000 0.651 187 G HN 0.123 nan 8.290 nan 0.000 0.523 188 V N 1.883 121.837 119.914 0.067 0.000 2.529 188 V HA 0.255 4.377 4.120 0.004 0.000 0.292 188 V C 1.377 177.550 176.094 0.133 0.000 1.028 188 V CA 0.006 62.374 62.300 0.113 0.000 1.074 188 V CB 1.103 33.042 31.823 0.193 0.000 0.958 188 V HN 0.509 nan 8.190 nan 0.000 0.481 189 R N 4.539 125.104 120.500 0.109 0.000 2.442 189 R HA 0.165 4.508 4.340 0.004 0.000 0.291 189 R C -0.191 176.226 176.300 0.196 0.000 1.069 189 R CA -0.287 55.885 56.100 0.119 0.000 1.022 189 R CB 0.278 30.619 30.300 0.068 0.000 0.976 189 R HN 0.906 nan 8.270 nan 0.000 0.443 190 H N 3.915 123.039 119.070 0.090 0.000 2.505 190 H HA 0.366 4.925 4.556 0.004 0.000 0.338 190 H C -1.410 173.936 175.328 0.030 0.000 1.057 190 H CA -0.909 55.213 56.048 0.124 0.000 1.202 190 H CB 1.477 31.369 29.762 0.216 0.000 1.466 190 H HN 0.284 nan 8.280 nan 0.000 0.499 191 V N 6.438 126.235 119.914 -0.195 0.000 2.483 191 V HA 0.164 4.287 4.120 0.004 0.000 0.297 191 V C -0.374 175.472 176.094 -0.413 0.000 1.027 191 V CA -0.782 61.291 62.300 -0.379 0.000 0.855 191 V CB 1.732 33.344 31.823 -0.353 0.000 0.995 191 V HN 0.514 nan 8.190 nan 0.000 0.424 192 V N 4.567 124.231 119.914 -0.417 0.000 2.328 192 V HA 0.680 4.803 4.120 0.004 0.000 0.278 192 V C -0.446 175.576 176.094 -0.120 0.000 1.021 192 V CA 0.028 62.193 62.300 -0.225 0.000 0.838 192 V CB 1.215 32.941 31.823 -0.162 0.000 0.999 192 V HN 0.971 nan 8.190 nan 0.000 0.447 193 D N 2.056 122.418 120.400 -0.064 0.000 2.798 193 D HA 0.183 4.826 4.640 0.004 0.000 0.265 193 D C -1.820 174.492 176.300 0.020 0.000 1.223 193 D CA -0.519 53.487 54.000 0.010 0.000 0.743 193 D CB 2.355 43.170 40.800 0.025 0.000 1.276 193 D HN 0.398 nan 8.370 nan 0.000 0.421 194 D N 0.637 121.065 120.400 0.047 0.000 2.198 194 D HA 0.291 4.934 4.640 0.004 0.000 0.245 194 D C -0.036 176.295 176.300 0.052 0.000 1.079 194 D CA -0.291 53.734 54.000 0.042 0.000 0.854 194 D CB 2.065 42.891 40.800 0.043 0.000 1.148 194 D HN -0.009 nan 8.370 nan 0.000 0.456 195 V N 3.385 123.324 119.914 0.041 0.000 2.470 195 V HA -0.019 4.103 4.120 0.004 0.000 0.276 195 V C 1.337 177.465 176.094 0.058 0.000 1.040 195 V CA 0.395 62.727 62.300 0.053 0.000 1.008 195 V CB 1.100 32.942 31.823 0.031 0.000 0.990 195 V HN 0.496 nan 8.190 nan 0.000 0.477 196 Q N 2.726 122.580 119.800 0.090 0.000 2.394 196 Q HA 0.190 4.533 4.340 0.004 0.000 0.218 196 Q C 0.530 176.602 176.000 0.121 0.000 0.907 196 Q CA 0.431 56.287 55.803 0.089 0.000 0.919 196 Q CB 0.837 29.631 28.738 0.092 0.000 1.051 196 Q HN 0.844 nan 8.270 nan 0.000 0.538 197 H N -0.612 118.455 119.070 -0.005 0.000 3.038 197 H HA 0.363 4.921 4.556 0.005 0.000 0.362 197 H C -1.788 173.505 175.328 -0.058 0.000 1.167 197 H CA -0.613 55.386 56.048 -0.082 0.000 1.197 197 H CB 1.928 31.571 29.762 -0.198 0.000 1.840 197 H HN -0.164 nan 8.280 nan 0.000 0.540 198 V N 3.718 123.257 119.914 -0.626 0.000 2.370 198 V HA 0.375 4.498 4.120 0.004 0.000 0.283 198 V C 0.909 176.520 176.094 -0.805 0.000 1.023 198 V CA -0.359 61.621 62.300 -0.534 0.000 0.857 198 V CB 1.155 32.775 31.823 -0.339 0.000 0.985 198 V HN 0.828 nan 8.190 nan 0.000 0.443 199 G N 3.810 112.317 108.800 -0.488 0.000 2.420 199 G HA2 0.571 4.534 3.960 0.004 0.000 0.284 199 G HA3 0.571 4.534 3.960 0.004 0.000 0.284 199 G C -0.702 174.088 174.900 -0.183 0.000 1.177 199 G CA -0.292 44.642 45.100 -0.276 0.000 0.841 199 G HN 0.652 nan 8.290 nan 0.000 0.527 200 Q N 0.251 119.996 119.800 -0.093 0.000 2.356 200 Q HA 0.268 4.611 4.340 0.004 0.000 0.270 200 Q C -0.738 175.271 176.000 0.014 0.000 1.058 200 Q CA -0.963 54.814 55.803 -0.045 0.000 0.802 200 Q CB 2.472 31.184 28.738 -0.043 0.000 1.303 200 Q HN 0.791 nan 8.270 nan 0.000 0.444 201 D N 0.244 120.668 120.400 0.040 0.000 2.398 201 D HA -0.102 4.541 4.640 0.004 0.000 0.264 201 D C 0.750 177.066 176.300 0.026 0.000 1.263 201 D CA -0.199 53.822 54.000 0.034 0.000 1.037 201 D CB 0.509 41.324 40.800 0.026 0.000 1.101 201 D HN 0.676 nan 8.370 nan 0.000 0.551 202 E N -0.910 119.291 120.200 0.003 0.000 2.204 202 E HA -0.207 4.145 4.350 0.004 0.000 0.195 202 E C 1.591 178.193 176.600 0.003 0.000 0.990 202 E CA 0.766 57.165 56.400 -0.003 0.000 0.821 202 E CB 0.097 29.785 29.700 -0.020 0.000 0.750 202 E HN 0.354 nan 8.360 nan 0.000 0.477 203 R N -1.284 119.214 120.500 -0.003 0.000 2.317 203 R HA 0.121 4.464 4.340 0.004 0.000 0.208 203 R C 1.179 177.588 176.300 0.181 0.000 0.914 203 R CA 0.498 56.615 56.100 0.029 0.000 1.060 203 R CB 0.684 30.904 30.300 -0.134 0.000 1.015 203 R HN 0.303 nan 8.270 nan 0.000 0.498 204 G N 0.138 109.032 108.800 0.157 0.000 2.175 204 G HA2 -0.219 3.744 3.960 0.004 0.000 0.244 204 G HA3 -0.219 3.744 3.960 0.004 0.000 0.244 204 G C -0.398 174.609 174.900 0.179 0.000 0.982 204 G CA -0.343 44.842 45.100 0.141 0.000 0.641 204 G HN 0.165 nan 8.290 nan 0.000 0.527 205 W N 0.750 121.986 121.300 -0.106 0.000 2.202 205 W HA 0.674 5.335 4.660 0.001 0.000 0.332 205 W C 1.120 177.548 176.519 -0.151 0.000 1.263 205 W CA -1.081 56.182 57.345 -0.137 0.000 1.223 205 W CB 0.264 29.624 29.460 -0.167 0.000 1.128 205 W HN 0.103 nan 8.180 nan 0.000 0.573 206 I N 3.222 123.753 120.570 -0.065 0.000 2.598 206 I HA -0.098 4.075 4.170 0.004 0.000 0.284 206 I C 1.314 177.345 176.117 -0.144 0.000 1.140 206 I CA 0.467 61.589 61.300 -0.298 0.000 1.420 206 I CB 0.589 38.142 38.000 -0.743 0.000 1.387 206 I HN 0.531 nan 8.210 nan 0.000 0.553 207 S N 3.717 119.348 115.700 -0.115 0.000 2.475 207 S HA 0.396 4.869 4.470 0.004 0.000 0.224 207 S C 0.703 175.380 174.600 0.129 0.000 1.042 207 S CA 0.179 58.420 58.200 0.069 0.000 0.935 207 S CB 0.680 63.923 63.200 0.073 0.000 0.801 207 S HN 0.859 nan 8.310 nan 0.000 0.509 208 G N 0.682 109.451 108.800 -0.051 0.000 2.356 208 G HA2 0.445 4.408 3.960 0.004 0.000 0.294 208 G HA3 0.445 4.408 3.960 0.004 0.000 0.294 208 G C -1.534 173.352 174.900 -0.024 0.000 1.423 208 G CA -0.263 44.883 45.100 0.077 0.000 0.806 208 G HN 0.919 nan 8.290 nan 0.000 0.527 209 V N -1.679 118.287 119.914 0.087 0.000 2.417 209 V HA 0.776 4.899 4.120 0.004 0.000 0.291 209 V C -0.745 175.436 176.094 0.144 0.000 1.024 209 V CA -1.178 61.181 62.300 0.099 0.000 0.861 209 V CB 1.100 32.966 31.823 0.072 0.000 0.985 209 V HN 0.711 nan 8.190 nan 0.000 0.436 210 H N 3.198 122.284 119.070 0.027 0.000 2.652 210 H HA 0.622 5.181 4.556 0.004 0.000 0.298 210 H C 0.830 176.202 175.328 0.074 0.000 1.076 210 H CA 0.326 56.421 56.048 0.078 0.000 1.360 210 H CB 1.172 31.015 29.762 0.136 0.000 1.421 210 H HN 1.046 nan 8.280 nan 0.000 0.464 211 T N -0.345 114.300 114.554 0.151 0.000 2.927 211 T HA 0.249 4.602 4.350 0.004 0.000 0.281 211 T C 1.368 176.145 174.700 0.128 0.000 0.998 211 T CA -1.080 61.099 62.100 0.130 0.000 1.019 211 T CB 1.618 70.562 68.868 0.127 0.000 1.061 211 T HN 0.472 nan 8.240 nan 0.000 0.518 212 K N -0.012 120.456 120.400 0.113 0.000 2.026 212 K HA -0.088 4.235 4.320 0.004 0.000 0.208 212 K C 1.750 178.392 176.600 0.070 0.000 1.048 212 K CA 1.441 57.779 56.287 0.086 0.000 0.929 212 K CB 0.025 32.568 32.500 0.073 0.000 0.713 212 K HN 0.568 nan 8.250 nan 0.000 0.439 213 Q N -1.236 118.621 119.800 0.096 0.000 2.164 213 Q HA 0.069 4.412 4.340 0.004 0.000 0.226 213 Q C 0.201 176.084 176.000 -0.195 0.000 0.813 213 Q CA 0.392 56.175 55.803 -0.032 0.000 0.978 213 Q CB 0.984 29.681 28.738 -0.069 0.000 1.149 213 Q HN 0.415 nan 8.270 nan 0.000 0.489 214 H N -0.401 118.675 119.070 0.011 0.000 2.662 214 H HA 0.403 4.962 4.556 0.004 0.000 0.268 214 H C 0.922 176.248 175.328 -0.002 0.000 1.152 214 H CA 0.404 56.455 56.048 0.004 0.000 1.072 214 H CB 0.895 30.658 29.762 0.002 0.000 1.660 214 H HN 0.334 nan 8.280 nan 0.000 0.584 215 G N 1.085 109.930 108.800 0.075 0.000 2.575 215 G HA2 -0.349 3.614 3.960 0.004 0.000 0.267 215 G HA3 -0.349 3.614 3.960 0.004 0.000 0.267 215 G C -0.026 174.858 174.900 -0.026 0.000 1.264 215 G CA -0.048 45.065 45.100 0.022 0.000 0.935 215 G HN 0.488 nan 8.290 nan 0.000 0.568 216 E N -0.212 119.911 120.200 -0.128 0.000 2.259 216 E HA 0.515 4.867 4.350 0.004 0.000 0.281 216 E C -0.011 176.551 176.600 -0.064 0.000 1.027 216 E CA -0.545 55.713 56.400 -0.237 0.000 0.838 216 E CB 0.328 29.787 29.700 -0.401 0.000 1.066 216 E HN 0.433 nan 8.360 nan 0.000 0.401 217 I N 3.452 124.018 120.570 -0.006 0.000 2.362 217 I HA 0.235 4.408 4.170 0.004 0.000 0.289 217 I C -0.273 175.931 176.117 0.145 0.000 0.994 217 I CA -0.414 60.921 61.300 0.059 0.000 1.158 217 I CB 1.846 39.884 38.000 0.062 0.000 1.315 217 I HN 0.394 nan 8.210 nan 0.000 0.451 218 S N 3.064 118.838 115.700 0.124 0.000 2.638 218 S HA 0.966 5.439 4.470 0.004 0.000 0.302 218 S C -0.048 174.572 174.600 0.033 0.000 1.096 218 S CA -0.675 57.645 58.200 0.200 0.000 0.953 218 S CB 2.312 65.605 63.200 0.155 0.000 1.107 218 S HN 0.900 nan 8.310 nan 0.000 0.503 219 G N 0.063 108.830 108.800 -0.056 0.000 2.430 219 G HA2 0.372 4.334 3.960 0.004 0.000 0.300 219 G HA3 0.372 4.334 3.960 0.004 0.000 0.300 219 G C -0.917 173.884 174.900 -0.165 0.000 1.330 219 G CA -0.557 44.421 45.100 -0.204 0.000 0.813 219 G HN 0.507 nan 8.290 nan 0.000 0.487 220 D N -1.096 119.263 120.400 -0.068 0.000 2.162 220 D HA 0.057 4.699 4.640 0.004 0.000 0.205 220 D C 0.604 177.033 176.300 0.215 0.000 0.964 220 D CA 0.971 55.072 54.000 0.168 0.000 0.847 220 D CB 0.448 41.382 40.800 0.223 0.000 0.988 220 D HN 0.150 nan 8.370 nan 0.000 0.480 221 L N 0.182 121.377 121.223 -0.045 0.000 2.362 221 L HA 0.399 4.742 4.340 0.004 0.000 0.275 221 L C -1.599 175.053 176.870 -0.363 0.000 0.998 221 L CA -0.600 54.231 54.840 -0.016 0.000 0.820 221 L CB 1.554 43.599 42.059 -0.024 0.000 1.270 221 L HN -0.301 nan 8.230 nan 0.000 0.415 222 F N 4.713 124.634 119.950 -0.048 0.000 2.426 222 F HA 0.566 5.095 4.527 0.003 0.000 0.348 222 F C -0.147 175.564 175.800 -0.148 0.000 1.124 222 F CA -0.768 57.182 58.000 -0.084 0.000 1.008 222 F CB 1.881 40.831 39.000 -0.084 0.000 1.139 222 F HN 0.091 nan 8.300 nan 0.000 0.452 223 V N 2.611 122.523 119.914 -0.004 0.000 2.350 223 V HA 0.180 4.302 4.120 0.004 0.000 0.276 223 V C -0.378 175.695 176.094 -0.036 0.000 1.028 223 V CA -0.758 61.500 62.300 -0.069 0.000 0.860 223 V CB 1.344 33.107 31.823 -0.101 0.000 0.990 223 V HN 0.560 nan 8.190 nan 0.000 0.453 224 D N 3.978 124.351 120.400 -0.046 0.000 2.393 224 D HA 0.189 4.832 4.640 0.004 0.000 0.232 224 D C 0.059 176.327 176.300 -0.053 0.000 1.192 224 D CA -0.153 53.823 54.000 -0.039 0.000 0.882 224 D CB 0.824 41.603 40.800 -0.035 0.000 1.038 224 D HN 0.600 nan 8.370 nan 0.000 0.499 225 C N 3.173 122.432 119.300 -0.069 0.000 2.557 225 C HA 0.131 4.594 4.460 0.004 0.000 0.281 225 C C 1.795 176.732 174.990 -0.089 0.000 1.490 225 C CA -0.296 58.670 59.018 -0.087 0.000 1.771 225 C CB -1.239 26.429 27.740 -0.120 0.000 2.887 225 C HN 0.706 nan 8.230 nan 0.000 0.527 226 T N -1.811 112.700 114.554 -0.071 0.000 3.194 226 T HA 0.422 4.775 4.350 0.004 0.000 0.251 226 T C 1.154 175.802 174.700 -0.087 0.000 1.132 226 T CA 0.852 62.913 62.100 -0.066 0.000 1.028 226 T CB 0.040 68.882 68.868 -0.044 0.000 0.976 226 T HN 1.020 nan 8.240 nan 0.000 0.535 227 G N 1.260 109.982 108.800 -0.130 0.000 2.642 227 G HA2 -0.212 3.751 3.960 0.004 0.000 0.231 227 G HA3 -0.212 3.751 3.960 0.004 0.000 0.231 227 G C 0.134 174.940 174.900 -0.157 0.000 1.338 227 G CA -0.296 44.659 45.100 -0.243 0.000 0.883 227 G HN 0.118 nan 8.290 nan 0.000 0.570 228 F N 0.612 120.496 119.950 -0.110 0.000 2.176 228 F HA -0.157 4.373 4.527 0.004 0.000 0.301 228 F C 2.841 178.548 175.800 -0.155 0.000 1.071 228 F CA 2.258 60.170 58.000 -0.147 0.000 1.289 228 F CB -0.466 38.445 39.000 -0.149 0.000 1.028 228 F HN 0.539 nan 8.300 nan 0.000 0.494 229 R N 0.615 121.156 120.500 0.068 0.000 2.096 229 R HA -0.047 4.296 4.340 0.004 0.000 0.235 229 R C 1.402 177.689 176.300 -0.022 0.000 1.127 229 R CA 0.956 57.061 56.100 0.007 0.000 0.968 229 R CB -0.695 29.605 30.300 0.000 0.000 0.861 229 R HN 0.344 nan 8.270 nan 0.000 0.440 230 G N 1.799 110.587 108.800 -0.020 0.000 2.386 230 G HA2 -0.261 3.702 3.960 0.004 0.000 0.295 230 G HA3 -0.261 3.702 3.960 0.004 0.000 0.295 230 G C 0.422 175.306 174.900 -0.026 0.000 0.979 230 G CA 0.549 45.638 45.100 -0.018 0.000 1.193 230 G HN 0.399 nan 8.290 nan 0.000 0.508 231 L N -0.278 120.927 121.223 -0.031 0.000 2.042 231 L HA -0.046 4.297 4.340 0.004 0.000 0.210 231 L C 2.622 179.459 176.870 -0.054 0.000 1.076 231 L CA 2.442 57.259 54.840 -0.038 0.000 0.749 231 L CB -0.253 41.784 42.059 -0.035 0.000 0.893 231 L HN 0.505 nan 8.230 nan 0.000 0.432 232 L N -1.790 119.397 121.223 -0.060 0.000 2.121 232 L HA -0.042 4.301 4.340 0.004 0.000 0.200 232 L C 2.484 179.313 176.870 -0.068 0.000 1.077 232 L CA 0.884 55.672 54.840 -0.086 0.000 0.766 232 L CB -0.703 41.302 42.059 -0.091 0.000 0.931 232 L HN 0.222 nan 8.230 nan 0.000 0.452 233 I N 0.689 121.235 120.570 -0.040 0.000 2.315 233 I HA -0.240 3.932 4.170 0.004 0.000 0.248 233 I C 1.800 177.917 176.117 -0.000 0.000 1.117 233 I CA 1.870 63.160 61.300 -0.016 0.000 1.404 233 I CB -0.200 37.808 38.000 0.014 0.000 1.071 233 I HN 0.267 nan 8.210 nan 0.000 0.419 234 N N -1.111 117.590 118.700 0.001 0.000 2.508 234 N HA 0.008 4.751 4.740 0.004 0.000 0.186 234 N C 1.654 177.157 175.510 -0.012 0.000 1.034 234 N CA 0.478 53.533 53.050 0.008 0.000 0.885 234 N CB -0.084 38.410 38.487 0.012 0.000 1.135 234 N HN 0.285 nan 8.380 nan 0.000 0.435 235 Q N -0.158 119.627 119.800 -0.025 0.000 2.187 235 Q HA 0.060 4.402 4.340 0.004 0.000 0.199 235 Q C 1.135 177.113 176.000 -0.037 0.000 0.957 235 Q CA 1.161 56.947 55.803 -0.028 0.000 0.857 235 Q CB 0.207 28.928 28.738 -0.029 0.000 0.929 235 Q HN 0.344 nan 8.270 nan 0.000 0.453 236 T N 0.573 115.093 114.554 -0.056 0.000 2.925 236 T HA 0.102 4.455 4.350 0.004 0.000 0.245 236 T C 1.732 176.392 174.700 -0.067 0.000 1.025 236 T CA 0.406 62.460 62.100 -0.078 0.000 1.149 236 T CB 0.067 68.859 68.868 -0.127 0.000 0.866 236 T HN 0.087 nan 8.240 nan 0.000 0.437 237 L N 0.590 121.774 121.223 -0.065 0.000 2.446 237 L HA 0.285 4.628 4.340 0.004 0.000 0.219 237 L C 1.854 178.706 176.870 -0.030 0.000 1.116 237 L CA 0.441 55.246 54.840 -0.058 0.000 0.844 237 L CB -0.350 41.663 42.059 -0.076 0.000 0.970 237 L HN 0.550 nan 8.230 nan 0.000 0.457 238 G N 0.362 109.153 108.800 -0.016 0.000 2.147 238 G HA2 -0.234 3.728 3.960 0.004 0.000 0.244 238 G HA3 -0.234 3.728 3.960 0.004 0.000 0.244 238 G C 0.637 175.545 174.900 0.014 0.000 1.005 238 G CA -0.100 45.000 45.100 0.000 0.000 0.713 238 G HN 0.515 nan 8.290 nan 0.000 0.515 239 G N -0.399 108.412 108.800 0.018 0.000 2.287 239 G HA2 0.343 4.306 3.960 0.004 0.000 0.235 239 G HA3 0.343 4.306 3.960 0.004 0.000 0.235 239 G C 0.371 175.310 174.900 0.065 0.000 1.258 239 G CA -0.025 45.099 45.100 0.039 0.000 0.884 239 G HN 0.631 nan 8.290 nan 0.000 0.518 240 R N 0.794 121.329 120.500 0.058 0.000 2.308 240 R HA 0.275 4.618 4.340 0.004 0.000 0.305 240 R C -0.759 175.599 176.300 0.098 0.000 1.053 240 R CA -0.453 55.690 56.100 0.071 0.000 0.957 240 R CB 0.895 31.217 30.300 0.037 0.000 1.022 240 R HN 0.465 nan 8.270 nan 0.000 0.461 241 F N 2.587 122.530 119.950 -0.012 0.000 2.415 241 F HA 0.168 4.698 4.527 0.005 0.000 0.348 241 F C -0.052 175.729 175.800 -0.031 0.000 1.119 241 F CA -0.310 57.673 58.000 -0.029 0.000 1.069 241 F CB 1.314 40.293 39.000 -0.034 0.000 1.124 241 F HN 0.326 nan 8.300 nan 0.000 0.472 242 Q N 5.294 124.748 119.800 -0.576 0.000 2.398 242 Q HA 0.230 4.572 4.340 0.004 0.000 0.251 242 Q C -0.552 175.162 176.000 -0.476 0.000 0.999 242 Q CA -0.435 55.170 55.803 -0.329 0.000 0.874 242 Q CB 1.163 29.792 28.738 -0.182 0.000 1.215 242 Q HN 0.719 nan 8.270 nan 0.000 0.470 243 S N 3.363 119.004 115.700 -0.098 0.000 2.564 243 S HA 0.192 4.664 4.470 0.004 0.000 0.278 243 S C 0.135 174.824 174.600 0.148 0.000 1.333 243 S CA -0.404 57.802 58.200 0.010 0.000 1.048 243 S CB 0.275 63.552 63.200 0.129 0.000 0.900 243 S HN 0.598 nan 8.310 nan 0.000 0.505 244 F N 2.627 122.602 119.950 0.042 0.000 2.660 244 F HA 0.279 4.809 4.527 0.003 0.000 0.302 244 F C 2.201 178.017 175.800 0.028 0.000 1.103 244 F CA -0.558 57.456 58.000 0.023 0.000 1.340 244 F CB -1.251 37.764 39.000 0.025 0.000 1.048 244 F HN 0.495 nan 8.300 nan 0.000 0.551 245 S N 0.581 116.400 115.700 0.198 0.000 2.400 245 S HA -0.214 4.258 4.470 0.004 0.000 0.232 245 S C 1.903 176.552 174.600 0.082 0.000 1.025 245 S CA 1.683 59.953 58.200 0.117 0.000 0.993 245 S CB -0.329 62.919 63.200 0.080 0.000 0.808 245 S HN 0.560 nan 8.310 nan 0.000 0.478 246 D N 1.545 121.996 120.400 0.084 0.000 2.178 246 D HA -0.103 4.539 4.640 0.004 0.000 0.201 246 D C 1.785 178.101 176.300 0.026 0.000 0.980 246 D CA 1.547 55.577 54.000 0.050 0.000 0.842 246 D CB -0.539 40.291 40.800 0.051 0.000 0.948 246 D HN 0.532 nan 8.370 nan 0.000 0.472 247 V N -3.012 116.921 119.914 0.032 0.000 3.570 247 V HA 0.349 4.472 4.120 0.004 0.000 0.257 247 V C 0.791 176.867 176.094 -0.031 0.000 1.272 247 V CA -0.271 62.023 62.300 -0.009 0.000 1.079 247 V CB -0.081 31.724 31.823 -0.030 0.000 0.829 247 V HN 0.039 nan 8.190 nan 0.000 0.454 248 L N 2.311 123.543 121.223 0.014 0.000 2.490 248 L HA 0.478 4.820 4.340 0.004 0.000 0.256 248 L C -1.952 174.931 176.870 0.023 0.000 1.089 248 L CA -1.101 53.735 54.840 -0.006 0.000 0.916 248 L CB 2.471 44.592 42.059 0.102 0.000 1.188 248 L HN -0.003 nan 8.230 nan 0.000 0.476 249 P HA -0.041 nan 4.420 nan 0.000 0.229 249 P C 0.024 177.360 177.300 0.060 0.000 1.160 249 P CA 0.298 63.415 63.100 0.030 0.000 0.777 249 P CB 0.106 31.832 31.700 0.043 0.000 0.814 250 N N 2.691 121.435 118.700 0.075 0.000 2.359 250 N HA -0.058 4.685 4.740 0.004 0.000 0.261 250 N C 1.003 176.522 175.510 0.015 0.000 1.267 250 N CA 0.626 53.722 53.050 0.076 0.000 0.864 250 N CB -0.118 38.476 38.487 0.179 0.000 1.063 250 N HN 0.347 nan 8.380 nan 0.000 0.474 251 N N 0.849 119.485 118.700 -0.107 0.000 2.082 251 N HA 0.084 4.827 4.740 0.004 0.000 0.228 251 N C -0.288 175.093 175.510 -0.215 0.000 1.341 251 N CA -0.028 52.953 53.050 -0.115 0.000 0.873 251 N CB 0.971 39.404 38.487 -0.091 0.000 1.137 251 N HN 0.323 nan 8.380 nan 0.000 0.505 252 R N -0.293 119.950 120.500 -0.428 0.000 2.799 252 R HA 0.852 5.194 4.340 0.004 0.000 0.270 252 R C -1.516 174.498 176.300 -0.476 0.000 1.010 252 R CA -0.796 55.010 56.100 -0.491 0.000 0.916 252 R CB 2.270 32.159 30.300 -0.685 0.000 1.228 252 R HN 0.143 nan 8.270 nan 0.000 0.469 253 A N 0.779 123.536 122.820 -0.106 0.000 2.539 253 A HA 0.717 5.039 4.320 0.004 0.000 0.296 253 A C -1.660 175.986 177.584 0.103 0.000 1.073 253 A CA -0.669 51.409 52.037 0.069 0.000 0.700 253 A CB 2.259 21.377 19.000 0.196 0.000 1.296 253 A HN 0.369 nan 8.150 nan 0.000 0.405 254 V N 0.814 120.724 119.914 -0.006 0.000 2.638 254 V HA 0.829 4.951 4.120 0.004 0.000 0.306 254 V C -0.301 175.643 176.094 -0.251 0.000 1.052 254 V CA 0.216 62.370 62.300 -0.243 0.000 0.885 254 V CB 1.467 33.018 31.823 -0.454 0.000 0.999 254 V HN 1.950 nan 8.190 nan 0.000 0.424 255 A N 6.900 129.600 122.820 -0.201 0.000 2.374 255 A HA 0.945 5.268 4.320 0.004 0.000 0.317 255 A C -1.398 176.118 177.584 -0.114 0.000 1.094 255 A CA -0.688 51.244 52.037 -0.174 0.000 0.765 255 A CB 1.607 20.644 19.000 0.061 0.000 1.268 255 A HN 0.893 nan 8.150 nan 0.000 0.438 256 L N 1.062 122.214 121.223 -0.119 0.000 2.370 256 L HA 0.617 4.959 4.340 0.004 0.000 0.266 256 L C 0.121 176.982 176.870 -0.016 0.000 1.002 256 L CA -0.663 54.139 54.840 -0.063 0.000 0.818 256 L CB 2.281 44.289 42.059 -0.086 0.000 1.325 256 L HN 0.820 nan 8.230 nan 0.000 0.418 257 R N 1.533 122.040 120.500 0.011 0.000 2.265 257 R HA 0.587 4.930 4.340 0.004 0.000 0.328 257 R C -1.525 174.780 176.300 0.009 0.000 0.969 257 R CA -0.461 55.660 56.100 0.033 0.000 0.832 257 R CB 1.463 31.795 30.300 0.054 0.000 1.139 257 R HN 0.356 nan 8.270 nan 0.000 0.457 258 V N 7.090 127.004 119.914 -0.000 0.000 2.326 258 V HA 0.307 4.430 4.120 0.004 0.000 0.281 258 V C -2.119 173.964 176.094 -0.019 0.000 1.015 258 V CA -2.204 60.085 62.300 -0.018 0.000 0.823 258 V CB 1.409 33.209 31.823 -0.037 0.000 1.009 258 V HN 0.743 nan 8.190 nan 0.000 0.436 259 P HA 0.117 nan 4.420 nan 0.000 0.266 259 P C -0.310 176.960 177.300 -0.050 0.000 1.193 259 P CA 0.003 63.086 63.100 -0.029 0.000 0.770 259 P CB 0.555 32.239 31.700 -0.026 0.000 0.836 260 R N 2.083 122.541 120.500 -0.070 0.000 2.229 260 R HA 0.115 4.458 4.340 0.004 0.000 0.328 260 R C 1.309 177.544 176.300 -0.109 0.000 1.009 260 R CA -0.261 55.782 56.100 -0.095 0.000 0.864 260 R CB 0.398 30.627 30.300 -0.118 0.000 1.085 260 R HN 0.499 nan 8.270 nan 0.000 0.453 261 E N 2.325 122.467 120.200 -0.097 0.000 2.007 261 E HA -0.189 4.164 4.350 0.004 0.000 0.194 261 E C -0.024 176.500 176.600 -0.127 0.000 0.999 261 E CA 1.103 57.446 56.400 -0.095 0.000 0.811 261 E CB 0.131 29.785 29.700 -0.077 0.000 0.762 261 E HN 0.354 nan 8.360 nan 0.000 0.450 262 N N 0.766 119.382 118.700 -0.140 0.000 2.501 262 N HA 0.002 4.745 4.740 0.004 0.000 0.245 262 N C -0.501 174.857 175.510 -0.254 0.000 0.974 262 N CA -0.127 52.818 53.050 -0.175 0.000 0.941 262 N CB 1.044 39.455 38.487 -0.128 0.000 1.122 262 N HN 0.010 nan 8.380 nan 0.000 0.507 263 D N 1.746 121.901 120.400 -0.408 0.000 2.200 263 D HA -0.212 4.430 4.640 0.004 0.000 0.192 263 D C 0.680 176.666 176.300 -0.524 0.000 1.008 263 D CA 1.462 55.016 54.000 -0.743 0.000 0.872 263 D CB 0.355 40.275 40.800 -1.467 0.000 0.923 263 D HN 0.649 nan 8.370 nan 0.000 0.447 264 E N 0.535 120.540 120.200 -0.325 0.000 2.516 264 E HA -0.080 4.273 4.350 0.004 0.000 0.199 264 E C 0.875 177.421 176.600 -0.091 0.000 1.069 264 E CA 0.232 56.547 56.400 -0.142 0.000 0.876 264 E CB -0.034 29.612 29.700 -0.091 0.000 0.843 264 E HN 0.359 nan 8.360 nan 0.000 0.530 265 D N 0.276 120.605 120.400 -0.119 0.000 2.378 265 D HA -0.062 4.581 4.640 0.004 0.000 0.227 265 D C 0.823 177.072 176.300 -0.085 0.000 1.012 265 D CA 0.237 54.182 54.000 -0.091 0.000 0.905 265 D CB -0.094 40.647 40.800 -0.098 0.000 0.895 265 D HN 0.202 nan 8.370 nan 0.000 0.532 266 M N 1.355 120.917 119.600 -0.064 0.000 2.307 266 M HA 0.032 4.515 4.480 0.004 0.000 0.346 266 M C -0.223 176.048 176.300 -0.049 0.000 1.552 266 M CA 0.207 55.492 55.300 -0.026 0.000 1.116 266 M CB 0.320 32.977 32.600 0.095 0.000 1.889 266 M HN -0.314 nan 8.290 nan 0.000 0.460 267 R N 6.640 127.042 120.500 -0.163 0.000 2.368 267 R HA 0.370 4.713 4.340 0.004 0.000 0.302 267 R C -2.053 174.090 176.300 -0.260 0.000 1.002 267 R CA -1.531 54.361 56.100 -0.347 0.000 0.929 267 R CB 0.601 30.418 30.300 -0.805 0.000 1.073 267 R HN 0.450 nan 8.270 nan 0.000 0.464 268 P HA 0.067 nan 4.420 nan 0.000 0.228 268 P C -1.670 175.786 177.300 0.259 0.000 1.764 268 P CA 0.023 63.195 63.100 0.121 0.000 0.929 268 P CB -0.103 31.658 31.700 0.103 0.000 1.675 269 Y N -4.452 116.003 120.300 0.258 0.000 2.641 269 Y HA 0.556 5.108 4.550 0.004 0.000 0.333 269 Y C -0.657 175.401 175.900 0.262 0.000 1.174 269 Y CA -1.333 56.925 58.100 0.264 0.000 1.057 269 Y CB -0.013 38.534 38.460 0.145 0.000 1.322 269 Y HN -0.372 nan 8.280 nan 0.000 0.457 270 T N 1.796 116.640 114.554 0.483 0.000 2.909 270 T HA 0.537 4.890 4.350 0.004 0.000 0.289 270 T C -0.508 174.339 174.700 0.245 0.000 1.005 270 T CA -0.255 62.024 62.100 0.298 0.000 1.084 270 T CB 1.003 70.052 68.868 0.302 0.000 0.975 270 T HN 0.677 nan 8.240 nan 0.000 0.509 271 T N 2.245 116.897 114.554 0.162 0.000 2.807 271 T HA 0.647 4.999 4.350 0.004 0.000 0.279 271 T C -0.492 174.266 174.700 0.098 0.000 0.993 271 T CA -0.670 61.484 62.100 0.089 0.000 0.970 271 T CB 1.353 70.281 68.868 0.100 0.000 0.950 271 T HN 0.680 nan 8.240 nan 0.000 0.441 272 A N 2.813 125.591 122.820 -0.070 0.000 2.323 272 A HA 0.654 4.977 4.320 0.004 0.000 0.305 272 A C 0.052 177.871 177.584 0.391 0.000 1.275 272 A CA -0.718 51.414 52.037 0.160 0.000 0.804 272 A CB 0.485 19.250 19.000 -0.391 0.000 1.152 272 A HN 0.691 nan 8.150 nan 0.000 0.487 273 T N 2.422 117.229 114.554 0.422 0.000 2.758 273 T HA 0.567 4.920 4.350 0.004 0.000 0.285 273 T C 0.456 175.213 174.700 0.095 0.000 0.981 273 T CA 0.020 62.248 62.100 0.213 0.000 0.965 273 T CB 1.338 70.240 68.868 0.058 0.000 0.927 273 T HN 1.013 nan 8.240 nan 0.000 0.448 274 A N 5.574 128.201 122.820 -0.322 0.000 2.488 274 A HA 0.586 4.909 4.320 0.004 0.000 0.249 274 A C 0.394 177.869 177.584 -0.182 0.000 1.083 274 A CA -0.240 51.463 52.037 -0.557 0.000 0.768 274 A CB 0.018 18.233 19.000 -1.308 0.000 1.017 274 A HN 0.716 nan 8.150 nan 0.000 0.496 275 M N 1.439 121.052 119.600 0.023 0.000 2.768 275 M HA 0.271 4.753 4.480 0.004 0.000 0.274 275 M C 1.777 178.188 176.300 0.186 0.000 1.076 275 M CA 0.082 55.340 55.300 -0.070 0.000 0.928 275 M CB 0.590 32.910 32.600 -0.467 0.000 1.596 275 M HN 0.899 nan 8.290 nan 0.000 0.546 276 S N 0.010 115.782 115.700 0.120 0.000 2.414 276 S HA 0.138 4.611 4.470 0.004 0.000 0.227 276 S C 0.910 175.587 174.600 0.128 0.000 1.022 276 S CA 0.785 59.114 58.200 0.214 0.000 0.958 276 S CB -0.120 63.154 63.200 0.124 0.000 0.797 276 S HN 0.713 nan 8.310 nan 0.000 0.493 277 A N -0.174 122.605 122.820 -0.067 0.000 2.806 277 A HA 0.750 5.073 4.320 0.004 0.000 0.266 277 A C 0.568 177.438 177.584 -1.189 0.000 0.926 277 A CA -0.101 51.506 52.037 -0.716 0.000 1.068 277 A CB -0.096 18.763 19.000 -0.235 0.000 1.189 277 A HN 1.204 nan 8.150 nan 0.000 0.481 278 G N -0.574 107.725 108.800 -0.835 0.000 2.403 278 G HA2 0.356 4.318 3.960 0.004 0.000 0.223 278 G HA3 0.356 4.318 3.960 0.004 0.000 0.223 278 G C -1.261 173.900 174.900 0.435 0.000 1.287 278 G CA 0.078 45.107 45.100 -0.118 0.000 0.982 278 G HN 1.321 nan 8.290 nan 0.000 0.471 279 W N -0.946 120.579 121.300 0.375 0.000 3.025 279 W HA 0.777 5.439 4.660 0.004 0.000 0.343 279 W C -1.465 175.211 176.519 0.261 0.000 1.246 279 W CA -1.391 56.100 57.345 0.242 0.000 1.178 279 W CB 1.232 30.906 29.460 0.356 0.000 1.463 279 W HN 0.892 nan 8.180 nan 0.000 0.578 280 M N 3.014 122.767 119.600 0.254 0.000 2.395 280 M HA 0.462 4.945 4.480 0.004 0.000 0.307 280 M C -1.459 175.006 176.300 0.275 0.000 1.091 280 M CA -0.494 54.765 55.300 -0.069 0.000 0.919 280 M CB 2.392 34.849 32.600 -0.239 0.000 1.662 280 M HN 0.534 nan 8.290 nan 0.000 0.440 281 W N 3.487 124.832 121.300 0.074 0.000 2.375 281 W HA 0.756 5.419 4.660 0.005 0.000 0.336 281 W C -1.646 174.931 176.519 0.096 0.000 1.160 281 W CA -0.532 56.964 57.345 0.251 0.000 1.266 281 W CB 0.510 30.138 29.460 0.279 0.000 1.195 281 W HN 0.562 nan 8.180 nan 0.000 0.599 282 T N 4.853 119.631 114.554 0.374 0.000 2.847 282 T HA 0.469 4.821 4.350 0.004 0.000 0.291 282 T C -0.693 174.124 174.700 0.195 0.000 0.998 282 T CA -0.447 61.780 62.100 0.212 0.000 0.967 282 T CB 0.423 69.321 68.868 0.051 0.000 0.954 282 T HN 0.388 nan 8.240 nan 0.000 0.441 283 I N 5.381 126.076 120.570 0.207 0.000 2.390 283 I HA 0.298 4.471 4.170 0.004 0.000 0.283 283 I C -2.447 173.554 176.117 -0.193 0.000 1.016 283 I CA -2.581 58.663 61.300 -0.093 0.000 1.151 283 I CB 1.991 40.011 38.000 0.033 0.000 1.293 283 I HN 0.259 nan 8.210 nan 0.000 0.458 284 P HA 0.225 nan 4.420 nan 0.000 0.273 284 P C -0.388 176.875 177.300 -0.061 0.000 1.319 284 P CA 0.102 63.081 63.100 -0.202 0.000 0.885 284 P CB 0.334 31.906 31.700 -0.214 0.000 1.015 285 L N 2.601 123.847 121.223 0.039 0.000 2.488 285 L HA 0.331 4.674 4.340 0.004 0.000 0.249 285 L C 1.796 178.776 176.870 0.182 0.000 1.151 285 L CA -0.637 54.288 54.840 0.141 0.000 0.806 285 L CB 0.135 42.287 42.059 0.154 0.000 1.261 285 L HN 0.264 nan 8.230 nan 0.000 0.484 286 F N 0.289 120.277 119.950 0.065 0.000 2.095 286 F HA -0.220 4.309 4.527 0.004 0.000 0.298 286 F C 2.012 177.893 175.800 0.135 0.000 1.104 286 F CA 1.708 59.755 58.000 0.080 0.000 1.232 286 F CB 0.212 39.223 39.000 0.018 0.000 0.987 286 F HN 0.372 nan 8.300 nan 0.000 0.475 287 K N -0.316 120.093 120.400 0.015 0.000 2.355 287 K HA 0.157 4.479 4.320 0.004 0.000 0.198 287 K C -0.201 176.368 176.600 -0.051 0.000 1.039 287 K CA -0.062 56.170 56.287 -0.093 0.000 1.075 287 K CB 0.570 33.069 32.500 -0.002 0.000 0.870 287 K HN 0.312 nan 8.250 nan 0.000 0.540 288 R N -0.322 120.177 120.500 -0.002 0.000 2.733 288 R HA 0.329 4.672 4.340 0.004 0.000 0.272 288 R C -1.944 174.362 176.300 0.011 0.000 1.029 288 R CA -0.959 55.141 56.100 -0.001 0.000 0.888 288 R CB 0.916 31.229 30.300 0.022 0.000 1.251 288 R HN -0.283 nan 8.270 nan 0.000 0.464 289 D N 0.370 120.770 120.400 -0.000 0.000 2.217 289 D HA 0.359 5.001 4.640 0.004 0.000 0.243 289 D C -0.370 175.960 176.300 0.049 0.000 1.054 289 D CA -0.147 53.856 54.000 0.005 0.000 0.838 289 D CB 1.961 42.744 40.800 -0.028 0.000 1.162 289 D HN 0.692 nan 8.370 nan 0.000 0.472 290 G N 1.827 110.699 108.800 0.119 0.000 2.356 290 G HA2 0.366 4.329 3.960 0.004 0.000 0.298 290 G HA3 0.366 4.329 3.960 0.004 0.000 0.298 290 G C -0.116 174.889 174.900 0.175 0.000 1.145 290 G CA -0.505 44.724 45.100 0.215 0.000 0.850 290 G HN 0.349 nan 8.290 nan 0.000 0.487 291 N N 0.174 118.832 118.700 -0.069 0.000 2.249 291 N HA 0.608 5.351 4.740 0.004 0.000 0.296 291 N C -0.574 174.378 175.510 -0.930 0.000 1.051 291 N CA -0.413 52.365 53.050 -0.454 0.000 0.815 291 N CB 2.556 40.876 38.487 -0.278 0.000 1.487 291 N HN 0.714 nan 8.380 nan 0.000 0.475 292 G N 0.810 108.500 108.800 -1.850 0.000 2.701 292 G HA2 0.331 4.294 3.960 0.004 0.000 0.300 292 G HA3 0.331 4.294 3.960 0.004 0.000 0.300 292 G C -1.948 172.282 174.900 -1.117 0.000 1.410 292 G CA -0.249 43.656 45.100 -1.992 0.000 1.014 292 G HN 0.346 nan 8.290 nan 0.000 0.509 293 Y N 3.250 123.130 120.300 -0.700 0.000 2.353 293 Y HA 0.567 5.119 4.550 0.004 0.000 0.340 293 Y C -0.453 175.309 175.900 -0.230 0.000 0.972 293 Y CA -1.502 56.346 58.100 -0.420 0.000 1.157 293 Y CB 1.365 39.655 38.460 -0.284 0.000 1.157 293 Y HN 0.281 nan 8.280 nan 0.000 0.495 294 V N 9.337 129.178 119.914 -0.121 0.000 2.439 294 V HA 0.391 4.513 4.120 0.004 0.000 0.282 294 V C -0.825 175.226 176.094 -0.072 0.000 1.039 294 V CA -0.433 61.764 62.300 -0.172 0.000 0.913 294 V CB 0.532 32.109 31.823 -0.411 0.000 0.983 294 V HN 0.691 nan 8.190 nan 0.000 0.460 295 Y N 1.872 122.029 120.300 -0.238 0.000 2.670 295 Y HA 0.735 5.287 4.550 0.005 0.000 0.334 295 Y C -0.501 175.344 175.900 -0.092 0.000 1.185 295 Y CA -1.168 56.755 58.100 -0.295 0.000 1.053 295 Y CB 1.675 39.712 38.460 -0.705 0.000 1.298 295 Y HN 0.413 nan 8.280 nan 0.000 0.459 296 S N 0.842 116.590 115.700 0.080 0.000 2.442 296 S HA 0.228 4.700 4.470 0.004 0.000 0.297 296 S C 0.041 174.786 174.600 0.242 0.000 1.131 296 S CA -0.248 58.036 58.200 0.139 0.000 1.092 296 S CB 0.415 63.845 63.200 0.384 0.000 0.998 296 S HN 0.795 nan 8.310 nan 0.000 0.478 297 D N 3.098 123.555 120.400 0.095 0.000 2.363 297 D HA -0.074 4.568 4.640 0.004 0.000 0.226 297 D C 1.076 177.417 176.300 0.069 0.000 1.020 297 D CA 0.367 54.461 54.000 0.156 0.000 0.892 297 D CB -0.091 40.767 40.800 0.097 0.000 0.900 297 D HN 0.767 nan 8.370 nan 0.000 0.531 298 E N -0.797 119.427 120.200 0.040 0.000 2.152 298 E HA -0.112 4.241 4.350 0.004 0.000 0.192 298 E C 0.624 177.025 176.600 -0.332 0.000 0.983 298 E CA 0.677 56.968 56.400 -0.182 0.000 0.818 298 E CB -0.010 29.511 29.700 -0.299 0.000 0.758 298 E HN 0.357 nan 8.360 nan 0.000 0.467 299 F N -0.188 119.812 119.950 0.083 0.000 2.717 299 F HA 0.380 4.910 4.527 0.004 0.000 0.297 299 F C 0.705 176.527 175.800 0.037 0.000 1.113 299 F CA 0.065 58.114 58.000 0.081 0.000 1.319 299 F CB 1.126 40.225 39.000 0.164 0.000 1.097 299 F HN -0.116 nan 8.300 nan 0.000 0.595 300 I N -0.143 120.525 120.570 0.164 0.000 2.743 300 I HA 0.214 4.387 4.170 0.004 0.000 0.292 300 I C -0.341 175.778 176.117 0.004 0.000 1.343 300 I CA -0.745 60.575 61.300 0.034 0.000 1.038 300 I CB 1.468 39.419 38.000 -0.082 0.000 1.311 300 I HN -0.063 nan 8.210 nan 0.000 0.426 301 S N 6.379 122.057 115.700 -0.038 0.000 2.593 301 S HA 0.436 4.909 4.470 0.004 0.000 0.269 301 S C -2.077 172.463 174.600 -0.100 0.000 1.334 301 S CA -0.774 57.412 58.200 -0.023 0.000 1.015 301 S CB 1.144 64.327 63.200 -0.028 0.000 0.912 301 S HN 0.507 nan 8.310 nan 0.000 0.541 302 P HA -0.053 nan 4.420 nan 0.000 0.218 302 P C 0.896 178.187 177.300 -0.015 0.000 1.148 302 P CA 1.193 64.310 63.100 0.028 0.000 0.822 302 P CB -0.008 31.721 31.700 0.047 0.000 0.784 303 E N 0.021 120.189 120.200 -0.053 0.000 2.047 303 E HA -0.163 4.189 4.350 0.004 0.000 0.191 303 E C 1.977 178.548 176.600 -0.049 0.000 0.987 303 E CA 1.159 57.537 56.400 -0.037 0.000 0.799 303 E CB -0.879 28.796 29.700 -0.042 0.000 0.752 303 E HN 0.366 nan 8.360 nan 0.000 0.449 304 E N 0.437 120.590 120.200 -0.079 0.000 2.118 304 E HA -0.188 4.164 4.350 0.004 0.000 0.195 304 E C 1.981 178.515 176.600 -0.109 0.000 0.992 304 E CA 1.147 57.501 56.400 -0.077 0.000 0.804 304 E CB -0.170 29.488 29.700 -0.070 0.000 0.741 304 E HN 0.294 nan 8.360 nan 0.000 0.458 305 A N 1.061 123.724 122.820 -0.261 0.000 1.898 305 A HA -0.234 4.089 4.320 0.004 0.000 0.216 305 A C 2.070 179.590 177.584 -0.106 0.000 1.181 305 A CA 1.455 53.256 52.037 -0.392 0.000 0.620 305 A CB -0.397 17.828 19.000 -1.291 0.000 0.819 305 A HN 0.231 nan 8.150 nan 0.000 0.442 306 E N -0.185 119.973 120.200 -0.070 0.000 2.085 306 E HA -0.226 4.127 4.350 0.004 0.000 0.194 306 E C 2.288 178.882 176.600 -0.011 0.000 0.994 306 E CA 1.152 57.547 56.400 -0.010 0.000 0.801 306 E CB -0.100 29.654 29.700 0.090 0.000 0.743 306 E HN 0.577 nan 8.360 nan 0.000 0.453 307 R N 0.289 120.782 120.500 -0.012 0.000 2.073 307 R HA -0.165 4.177 4.340 0.004 0.000 0.234 307 R C 2.494 178.780 176.300 -0.023 0.000 1.134 307 R CA 1.562 57.653 56.100 -0.016 0.000 0.952 307 R CB -0.350 29.941 30.300 -0.015 0.000 0.850 307 R HN 0.310 nan 8.270 nan 0.000 0.433 308 E N 0.840 121.036 120.200 -0.008 0.000 2.077 308 E HA -0.206 4.147 4.350 0.004 0.000 0.193 308 E C 1.970 178.516 176.600 -0.091 0.000 0.989 308 E CA 0.900 57.282 56.400 -0.030 0.000 0.800 308 E CB 0.031 29.747 29.700 0.028 0.000 0.746 308 E HN 0.099 nan 8.360 nan 0.000 0.452 309 L N 1.457 122.648 121.223 -0.054 0.000 1.994 309 L HA -0.152 4.191 4.340 0.004 0.000 0.208 309 L C 2.278 179.082 176.870 -0.111 0.000 1.071 309 L CA 1.781 56.550 54.840 -0.118 0.000 0.745 309 L CB -0.563 41.455 42.059 -0.070 0.000 0.892 309 L HN 0.008 nan 8.230 nan 0.000 0.431 310 R N -0.670 119.785 120.500 -0.075 0.000 2.096 310 R HA -0.174 4.168 4.340 0.004 0.000 0.240 310 R C 2.243 178.504 176.300 -0.064 0.000 1.139 310 R CA 1.771 57.833 56.100 -0.063 0.000 0.952 310 R CB -0.711 29.564 30.300 -0.041 0.000 0.854 310 R HN 0.436 nan 8.270 nan 0.000 0.436 311 S N -0.247 115.416 115.700 -0.062 0.000 2.383 311 S HA -0.126 4.347 4.470 0.004 0.000 0.229 311 S C 1.866 176.423 174.600 -0.072 0.000 1.030 311 S CA 1.798 59.963 58.200 -0.059 0.000 1.002 311 S CB -0.150 63.018 63.200 -0.054 0.000 0.829 311 S HN 0.423 nan 8.310 nan 0.000 0.467 312 T N 1.063 115.559 114.554 -0.097 0.000 2.937 312 T HA 0.034 4.387 4.350 0.004 0.000 0.260 312 T C 1.888 176.529 174.700 -0.098 0.000 1.051 312 T CA 1.340 63.375 62.100 -0.109 0.000 1.141 312 T CB 0.023 68.797 68.868 -0.157 0.000 0.879 312 T HN 0.459 nan 8.240 nan 0.000 0.459 313 V N -2.580 117.273 119.914 -0.101 0.000 3.539 313 V HA 0.795 4.918 4.120 0.004 0.000 0.262 313 V C 0.725 176.774 176.094 -0.074 0.000 1.381 313 V CA 0.147 62.391 62.300 -0.092 0.000 1.060 313 V CB 0.188 31.944 31.823 -0.112 0.000 0.842 313 V HN 0.261 nan 8.190 nan 0.000 0.445 314 A N 1.773 124.552 122.820 -0.068 0.000 3.474 314 A HA 0.657 4.980 4.320 0.004 0.000 0.251 314 A C -2.917 174.640 177.584 -0.045 0.000 1.062 314 A CA -0.897 51.108 52.037 -0.053 0.000 0.945 314 A CB 0.050 19.019 19.000 -0.051 0.000 1.296 314 A HN 0.357 nan 8.150 nan 0.000 0.592 315 P HA 0.281 nan 4.420 nan 0.000 0.267 315 P C 1.117 178.400 177.300 -0.029 0.000 1.205 315 P CA 1.929 65.007 63.100 -0.036 0.000 0.765 315 P CB 1.018 32.697 31.700 -0.035 0.000 0.828 316 G N 3.541 112.327 108.800 -0.024 0.000 2.212 316 G HA2 -0.257 3.705 3.960 0.004 0.000 0.266 316 G HA3 -0.257 3.705 3.960 0.004 0.000 0.266 316 G C 0.620 175.509 174.900 -0.018 0.000 0.978 316 G CA -0.312 44.777 45.100 -0.019 0.000 0.632 316 G HN 0.550 nan 8.290 nan 0.000 0.537 317 R N 1.313 121.801 120.500 -0.021 0.000 4.792 317 R HA 0.182 4.525 4.340 0.004 0.000 0.205 317 R C 0.543 176.835 176.300 -0.014 0.000 1.875 317 R CA -0.097 55.992 56.100 -0.019 0.000 1.588 317 R CB -0.217 30.069 30.300 -0.024 0.000 1.401 317 R HN 0.387 nan 8.270 nan 0.000 0.834 318 D N 1.077 121.472 120.400 -0.010 0.000 2.371 318 D HA -0.121 4.522 4.640 0.004 0.000 0.221 318 D C 1.051 177.351 176.300 -0.000 0.000 0.986 318 D CA 0.691 54.688 54.000 -0.004 0.000 0.899 318 D CB 0.329 41.127 40.800 -0.003 0.000 0.902 318 D HN 0.453 nan 8.370 nan 0.000 0.530 319 D N 0.601 120.999 120.400 -0.002 0.000 2.178 319 D HA -0.158 4.485 4.640 0.004 0.000 0.201 319 D C 1.024 177.326 176.300 0.004 0.000 0.980 319 D CA 0.335 54.336 54.000 0.001 0.000 0.842 319 D CB -0.248 40.552 40.800 -0.001 0.000 0.948 319 D HN 0.240 nan 8.370 nan 0.000 0.472 320 L N 1.233 122.456 121.223 -0.001 0.000 2.313 320 L HA 0.204 4.547 4.340 0.004 0.000 0.282 320 L C 0.642 177.515 176.870 0.005 0.000 1.092 320 L CA -0.392 54.448 54.840 0.001 0.000 0.831 320 L CB 0.933 42.986 42.059 -0.009 0.000 1.159 320 L HN -0.074 nan 8.230 nan 0.000 0.442 321 E N 2.338 122.547 120.200 0.014 0.000 2.313 321 E HA 0.418 4.771 4.350 0.004 0.000 0.276 321 E C -0.512 176.099 176.600 0.017 0.000 1.031 321 E CA -0.569 55.846 56.400 0.024 0.000 0.857 321 E CB 1.207 30.927 29.700 0.034 0.000 1.040 321 E HN 0.670 nan 8.360 nan 0.000 0.408 322 A N 4.452 127.286 122.820 0.023 0.000 2.301 322 A HA 0.251 4.573 4.320 0.004 0.000 0.298 322 A C -0.339 177.249 177.584 0.008 0.000 1.185 322 A CA -0.617 51.410 52.037 -0.017 0.000 0.830 322 A CB 0.613 19.603 19.000 -0.017 0.000 1.112 322 A HN 0.635 nan 8.150 nan 0.000 0.508 323 N N 1.632 120.301 118.700 -0.050 0.000 2.444 323 N HA 0.219 4.962 4.740 0.004 0.000 0.262 323 N C -1.082 174.394 175.510 -0.057 0.000 0.974 323 N CA -0.213 52.846 53.050 0.015 0.000 0.933 323 N CB 0.379 38.900 38.487 0.057 0.000 1.137 323 N HN 0.653 nan 8.380 nan 0.000 0.498 324 H N 3.962 123.075 119.070 0.071 0.000 2.458 324 H HA 0.489 5.048 4.556 0.004 0.000 0.330 324 H C -0.303 175.076 175.328 0.084 0.000 1.111 324 H CA -0.313 55.783 56.048 0.079 0.000 1.245 324 H CB 1.540 31.340 29.762 0.063 0.000 1.456 324 H HN 0.447 nan 8.280 nan 0.000 0.488 325 I N 2.623 123.307 120.570 0.191 0.000 2.607 325 I HA 0.143 4.316 4.170 0.004 0.000 0.290 325 I C -0.398 175.771 176.117 0.087 0.000 1.129 325 I CA -0.701 60.688 61.300 0.149 0.000 1.042 325 I CB 2.570 40.675 38.000 0.177 0.000 1.242 325 I HN 0.335 nan 8.210 nan 0.000 0.421 326 Q N 5.935 125.758 119.800 0.039 0.000 2.243 326 Q HA 0.610 4.953 4.340 0.004 0.000 0.252 326 Q C -0.951 174.930 176.000 -0.199 0.000 0.909 326 Q CA -0.415 55.345 55.803 -0.071 0.000 0.922 326 Q CB 2.178 30.864 28.738 -0.086 0.000 1.215 326 Q HN 0.523 nan 8.270 nan 0.000 0.427 327 M N 1.865 121.304 119.600 -0.269 0.000 2.336 327 M HA 0.420 4.903 4.480 0.004 0.000 0.342 327 M C -0.333 175.584 176.300 -0.638 0.000 1.128 327 M CA -0.525 54.476 55.300 -0.499 0.000 1.016 327 M CB 1.919 34.558 32.600 0.064 0.000 1.665 327 M HN 0.351 nan 8.290 nan 0.000 0.445 328 R N 3.344 123.141 120.500 -1.172 0.000 2.215 328 R HA 0.458 4.801 4.340 0.004 0.000 0.336 328 R C -1.367 174.922 176.300 -0.017 0.000 0.996 328 R CA -0.411 55.358 56.100 -0.552 0.000 0.847 328 R CB 0.597 30.501 30.300 -0.661 0.000 1.127 328 R HN 0.638 nan 8.270 nan 0.000 0.465 329 I N 4.648 125.283 120.570 0.107 0.000 2.312 329 I HA 0.508 4.681 4.170 0.004 0.000 0.290 329 I C 0.848 176.980 176.117 0.025 0.000 1.008 329 I CA 0.113 61.521 61.300 0.180 0.000 1.226 329 I CB 0.720 38.807 38.000 0.146 0.000 1.371 329 I HN 0.977 nan 8.210 nan 0.000 0.468 330 G N 7.239 115.853 108.800 -0.310 0.000 2.334 330 G HA2 0.221 4.184 3.960 0.004 0.000 0.249 330 G HA3 0.221 4.184 3.960 0.004 0.000 0.249 330 G C -1.191 173.024 174.900 -1.141 0.000 1.327 330 G CA -0.835 43.331 45.100 -1.556 0.000 0.979 330 G HN 0.758 nan 8.290 nan 0.000 0.471 331 R N -0.600 119.017 120.500 -1.473 0.000 2.680 331 R HA 0.576 4.918 4.340 0.004 0.000 0.269 331 R C -1.056 174.726 176.300 -0.864 0.000 1.026 331 R CA -1.023 54.598 56.100 -0.798 0.000 0.889 331 R CB 0.870 30.986 30.300 -0.307 0.000 1.241 331 R HN 0.439 nan 8.270 nan 0.000 0.463 332 N N 1.657 120.174 118.700 -0.305 0.000 2.454 332 N HA -0.045 4.698 4.740 0.004 0.000 0.254 332 N C 0.482 175.926 175.510 -0.110 0.000 1.228 332 N CA 0.090 53.080 53.050 -0.099 0.000 0.900 332 N CB 0.913 39.449 38.487 0.081 0.000 1.089 332 N HN 0.627 nan 8.380 nan 0.000 0.449 333 E N 2.047 122.202 120.200 -0.075 0.000 2.070 333 E HA -0.140 4.213 4.350 0.004 0.000 0.197 333 E C 0.049 176.637 176.600 -0.022 0.000 1.004 333 E CA 1.572 57.945 56.400 -0.044 0.000 0.805 333 E CB 0.192 29.879 29.700 -0.022 0.000 0.744 333 E HN 0.499 nan 8.360 nan 0.000 0.451 334 R N -0.398 120.107 120.500 0.009 0.000 2.532 334 R HA 0.210 4.553 4.340 0.004 0.000 0.297 334 R C 0.851 177.204 176.300 0.088 0.000 0.984 334 R CA 0.127 56.254 56.100 0.045 0.000 0.884 334 R CB 1.463 31.791 30.300 0.047 0.000 1.182 334 R HN 0.029 nan 8.270 nan 0.000 0.442 335 T N -1.511 113.124 114.554 0.135 0.000 3.081 335 T HA 0.047 4.400 4.350 0.004 0.000 0.255 335 T C 0.253 175.099 174.700 0.244 0.000 1.113 335 T CA 0.140 62.340 62.100 0.165 0.000 1.082 335 T CB 0.327 69.292 68.868 0.161 0.000 0.939 335 T HN 0.466 nan 8.240 nan 0.000 0.506 336 W N 2.072 123.418 121.300 0.077 0.000 2.336 336 W HA 0.689 5.356 4.660 0.011 0.000 0.315 336 W C -1.894 174.591 176.519 -0.057 0.000 1.016 336 W CA -2.912 54.435 57.345 0.003 0.000 1.318 336 W CB 0.341 29.800 29.460 -0.000 0.000 1.247 336 W HN 0.084 nan 8.180 nan 0.000 0.414 337 I N 7.826 128.582 120.570 0.309 0.000 2.465 337 I HA 0.220 4.393 4.170 0.004 0.000 0.291 337 I C 0.470 176.519 176.117 -0.114 0.000 1.014 337 I CA -0.546 60.790 61.300 0.060 0.000 1.093 337 I CB 1.657 39.645 38.000 -0.020 0.000 1.267 337 I HN 0.429 nan 8.210 nan 0.000 0.431 338 N N 3.765 122.228 118.700 -0.395 0.000 1.194 338 N HA -0.310 4.432 4.740 0.004 0.000 0.131 338 N C 0.410 175.283 175.510 -1.061 0.000 0.688 338 N CA 2.063 54.389 53.050 -1.207 0.000 0.927 338 N CB -0.808 36.757 38.487 -1.538 0.000 1.224 338 N HN 0.895 nan 8.380 nan 0.000 0.529 339 N N 0.555 118.562 118.700 -1.155 0.000 2.320 339 N HA 0.238 4.981 4.740 0.004 0.000 0.237 339 N C -0.572 174.852 175.510 -0.143 0.000 1.129 339 N CA -0.210 52.474 53.050 -0.609 0.000 0.854 339 N CB -0.365 37.771 38.487 -0.585 0.000 1.083 339 N HN 0.566 nan 8.380 nan 0.000 0.504 340 C N 0.722 119.910 119.300 -0.186 0.000 2.396 340 C HA 0.703 5.165 4.460 0.004 0.000 0.321 340 C C -0.750 174.065 174.990 -0.293 0.000 1.233 340 C CA -0.393 58.529 59.018 -0.158 0.000 1.440 340 C CB 0.273 27.942 27.740 -0.117 0.000 2.110 340 C HN 0.176 nan 8.230 nan 0.000 0.473 341 V N 5.901 125.573 119.914 -0.403 0.000 2.448 341 V HA 0.730 4.853 4.120 0.004 0.000 0.295 341 V C 0.610 176.605 176.094 -0.165 0.000 1.025 341 V CA -0.320 61.735 62.300 -0.409 0.000 0.859 341 V CB 1.444 32.823 31.823 -0.739 0.000 0.988 341 V HN 1.127 nan 8.190 nan 0.000 0.431 342 A N 4.685 127.477 122.820 -0.048 0.000 2.301 342 A HA 0.785 5.108 4.320 0.004 0.000 0.298 342 A C -0.558 177.033 177.584 0.013 0.000 1.185 342 A CA -0.364 51.670 52.037 -0.006 0.000 0.830 342 A CB 0.846 19.869 19.000 0.037 0.000 1.112 342 A HN 0.730 nan 8.150 nan 0.000 0.508 343 V N 2.554 122.463 119.914 -0.008 0.000 2.577 343 V HA 0.754 4.877 4.120 0.004 0.000 0.303 343 V C 0.774 176.868 176.094 -0.000 0.000 1.042 343 V CA 0.654 62.953 62.300 -0.001 0.000 0.872 343 V CB 0.772 32.574 31.823 -0.035 0.000 0.998 343 V HN 2.143 nan 8.190 nan 0.000 0.423 344 G N 3.411 112.236 108.800 0.041 0.000 2.484 344 G HA2 -0.192 3.771 3.960 0.004 0.000 0.225 344 G HA3 -0.192 3.771 3.960 0.004 0.000 0.225 344 G C 0.421 175.365 174.900 0.073 0.000 1.250 344 G CA -0.012 45.119 45.100 0.051 0.000 0.926 344 G HN 0.712 nan 8.290 nan 0.000 0.581 345 L N 1.674 122.871 121.223 -0.042 0.000 2.265 345 L HA -0.031 4.312 4.340 0.004 0.000 0.215 345 L C 3.216 180.106 176.870 0.034 0.000 1.117 345 L CA 2.163 56.947 54.840 -0.093 0.000 0.782 345 L CB -0.651 40.997 42.059 -0.685 0.000 0.914 345 L HN 0.759 nan 8.230 nan 0.000 0.441 346 S N -0.014 115.687 115.700 0.002 0.000 2.402 346 S HA -0.087 4.386 4.470 0.004 0.000 0.229 346 S C 2.104 176.778 174.600 0.123 0.000 1.021 346 S CA 0.720 58.945 58.200 0.043 0.000 0.974 346 S CB -0.166 63.034 63.200 0.001 0.000 0.800 346 S HN 0.366 nan 8.310 nan 0.000 0.484 347 A N 1.799 124.696 122.820 0.127 0.000 1.861 347 A HA 0.731 5.053 4.320 0.004 0.000 0.212 347 A C 1.126 178.829 177.584 0.199 0.000 1.199 347 A CA 0.922 53.041 52.037 0.136 0.000 0.613 347 A CB -0.552 18.496 19.000 0.080 0.000 0.846 347 A HN 1.308 nan 8.150 nan 0.000 0.446 348 A N -2.940 120.030 122.820 0.250 0.000 2.567 348 A HA 0.600 4.923 4.320 0.004 0.000 0.291 348 A C -1.658 176.228 177.584 0.503 0.000 1.048 348 A CA -0.234 51.963 52.037 0.266 0.000 0.661 348 A CB 0.446 19.434 19.000 -0.021 0.000 1.288 348 A HN 1.239 nan 8.150 nan 0.000 0.424 349 F N -0.183 119.953 119.950 0.310 0.000 2.669 349 F HA 0.536 5.066 4.527 0.004 0.000 0.315 349 F C -1.071 174.965 175.800 0.395 0.000 1.109 349 F CA -0.197 58.062 58.000 0.432 0.000 1.028 349 F CB 1.528 40.837 39.000 0.514 0.000 1.287 349 F HN 1.216 nan 8.300 nan 0.000 0.452 350 V N 1.771 121.523 119.914 -0.271 0.000 3.046 350 V HA 0.666 4.789 4.120 0.004 0.000 0.316 350 V C -0.433 175.213 176.094 -0.747 0.000 1.104 350 V CA -0.968 61.178 62.300 -0.255 0.000 1.006 350 V CB 1.651 33.570 31.823 0.161 0.000 1.058 350 V HN 0.900 nan 8.190 nan 0.000 0.440 351 E N 2.629 122.697 120.200 -0.220 0.000 2.437 351 E HA 0.122 4.475 4.350 0.004 0.000 0.263 351 E C -1.981 174.689 176.600 0.117 0.000 1.030 351 E CA -1.056 55.368 56.400 0.039 0.000 0.934 351 E CB 0.260 30.197 29.700 0.394 0.000 0.943 351 E HN 0.616 nan 8.360 nan 0.000 0.444 352 P HA -0.036 nan 4.420 nan 0.000 0.269 352 P C 0.827 178.369 177.300 0.403 0.000 1.461 352 P CA -0.088 63.204 63.100 0.320 0.000 0.809 352 P CB -0.029 31.831 31.700 0.267 0.000 1.503 353 L N 0.530 121.921 121.223 0.281 0.000 2.127 353 L HA -0.096 4.247 4.340 0.004 0.000 0.211 353 L C 1.349 178.094 176.870 -0.209 0.000 1.089 353 L CA 2.037 56.706 54.840 -0.285 0.000 0.757 353 L CB -0.612 41.153 42.059 -0.489 0.000 0.899 353 L HN -0.051 nan 8.230 nan 0.000 0.434 354 E N -0.829 119.332 120.200 -0.065 0.000 2.887 354 E HA 0.216 4.569 4.350 0.004 0.000 0.206 354 E C -0.116 176.604 176.600 0.201 0.000 0.983 354 E CA 0.384 56.831 56.400 0.079 0.000 1.141 354 E CB 0.231 29.942 29.700 0.019 0.000 1.061 354 E HN 0.320 nan 8.360 nan 0.000 0.468 355 S N 0.510 116.293 115.700 0.138 0.000 3.436 355 S HA -0.169 4.303 4.470 0.004 0.000 0.393 355 S C 1.008 175.663 174.600 0.092 0.000 0.914 355 S CA 1.078 59.359 58.200 0.135 0.000 1.317 355 S CB -1.946 61.365 63.200 0.185 0.000 0.920 355 S HN 0.490 nan 8.310 nan 0.000 0.564 356 T N -2.758 111.779 114.554 -0.027 0.000 2.985 356 T HA 0.371 4.723 4.350 0.004 0.000 0.254 356 T C 2.011 176.487 174.700 -0.373 0.000 1.021 356 T CA 0.540 62.479 62.100 -0.268 0.000 0.957 356 T CB 0.126 68.660 68.868 -0.557 0.000 1.047 356 T HN 0.657 nan 8.240 nan 0.000 0.511 357 G N 2.552 111.321 108.800 -0.051 0.000 2.529 357 G HA2 -0.164 3.799 3.960 0.004 0.000 0.219 357 G HA3 -0.164 3.799 3.960 0.004 0.000 0.219 357 G C 1.360 176.330 174.900 0.116 0.000 1.177 357 G CA 1.083 46.278 45.100 0.158 0.000 0.773 357 G HN 0.545 nan 8.290 nan 0.000 0.573 358 I N -0.290 120.344 120.570 0.108 0.000 2.353 358 I HA -0.028 4.144 4.170 0.004 0.000 0.248 358 I C 2.381 178.543 176.117 0.074 0.000 1.119 358 I CA 0.617 61.967 61.300 0.084 0.000 1.417 358 I CB -0.213 37.870 38.000 0.138 0.000 1.078 358 I HN 0.207 nan 8.210 nan 0.000 0.421 359 F N 1.907 121.846 119.950 -0.018 0.000 2.091 359 F HA -0.305 4.225 4.527 0.004 0.000 0.299 359 F C 2.070 177.949 175.800 0.132 0.000 1.103 359 F CA 1.714 59.721 58.000 0.012 0.000 1.228 359 F CB -0.547 38.380 39.000 -0.121 0.000 0.984 359 F HN -0.068 nan 8.300 nan 0.000 0.477 360 F N 0.682 120.513 119.950 -0.197 0.000 2.161 360 F HA -0.163 4.367 4.527 0.006 0.000 0.300 360 F C 2.383 178.081 175.800 -0.171 0.000 1.089 360 F CA 1.005 58.859 58.000 -0.244 0.000 1.282 360 F CB -1.429 37.584 39.000 0.021 0.000 1.010 360 F HN 0.060 nan 8.300 nan 0.000 0.485 361 I N -0.398 120.211 120.570 0.065 0.000 2.163 361 I HA -0.318 3.855 4.170 0.004 0.000 0.240 361 I C 2.652 178.689 176.117 -0.132 0.000 1.081 361 I CA 1.537 62.818 61.300 -0.032 0.000 1.353 361 I CB -0.585 37.372 38.000 -0.071 0.000 1.054 361 I HN 0.148 nan 8.210 nan 0.000 0.407 362 Q N 0.226 119.915 119.800 -0.185 0.000 2.061 362 Q HA -0.318 4.024 4.340 0.004 0.000 0.204 362 Q C 2.280 178.170 176.000 -0.183 0.000 0.984 362 Q CA 2.088 57.756 55.803 -0.225 0.000 0.846 362 Q CB -0.153 28.502 28.738 -0.137 0.000 0.902 362 Q HN 0.533 nan 8.270 nan 0.000 0.421 363 H N -0.347 118.570 119.070 -0.256 0.000 2.389 363 H HA 0.010 4.568 4.556 0.004 0.000 0.299 363 H C 1.759 177.001 175.328 -0.144 0.000 1.081 363 H CA 1.756 57.679 56.048 -0.209 0.000 1.345 363 H CB -0.179 29.401 29.762 -0.302 0.000 1.393 363 H HN 0.398 nan 8.280 nan 0.000 0.520 364 A N 0.313 123.064 122.820 -0.114 0.000 1.940 364 A HA -0.139 4.184 4.320 0.004 0.000 0.219 364 A C 2.469 180.041 177.584 -0.019 0.000 1.176 364 A CA 1.750 53.755 52.037 -0.052 0.000 0.631 364 A CB -0.718 18.295 19.000 0.022 0.000 0.814 364 A HN 0.516 nan 8.150 nan 0.000 0.446 365 I N -1.040 119.433 120.570 -0.162 0.000 2.277 365 I HA -0.177 3.996 4.170 0.004 0.000 0.243 365 I C 2.494 178.405 176.117 -0.344 0.000 1.094 365 I CA 1.186 62.341 61.300 -0.240 0.000 1.393 365 I CB -0.376 37.406 38.000 -0.364 0.000 1.078 365 I HN 0.383 nan 8.210 nan 0.000 0.417 366 E N 0.457 120.361 120.200 -0.493 0.000 2.070 366 E HA -0.274 4.079 4.350 0.004 0.000 0.197 366 E C 2.153 178.662 176.600 -0.153 0.000 1.004 366 E CA 1.164 57.317 56.400 -0.411 0.000 0.805 366 E CB -0.041 29.448 29.700 -0.352 0.000 0.744 366 E HN 0.413 nan 8.360 nan 0.000 0.451 367 Q N 0.129 119.836 119.800 -0.155 0.000 2.297 367 Q HA -0.098 4.245 4.340 0.004 0.000 0.204 367 Q C 2.216 178.483 176.000 0.444 0.000 0.962 367 Q CA 0.541 56.414 55.803 0.117 0.000 0.879 367 Q CB -0.175 28.489 28.738 -0.124 0.000 0.947 367 Q HN 0.233 nan 8.270 nan 0.000 0.462 368 L N -0.062 121.345 121.223 0.306 0.000 2.056 368 L HA -0.102 4.241 4.340 0.004 0.000 0.207 368 L C 2.112 179.174 176.870 0.320 0.000 1.078 368 L CA 1.255 56.200 54.840 0.176 0.000 0.749 368 L CB -0.616 41.441 42.059 -0.002 0.000 0.901 368 L HN -0.078 nan 8.230 nan 0.000 0.433 369 V N 0.025 120.074 119.914 0.225 0.000 2.287 369 V HA -0.281 3.842 4.120 0.004 0.000 0.248 369 V C 2.706 178.985 176.094 0.308 0.000 1.053 369 V CA 1.786 64.225 62.300 0.231 0.000 1.027 369 V CB -0.729 31.121 31.823 0.045 0.000 0.646 369 V HN 0.430 nan 8.190 nan 0.000 0.447 370 K N -0.280 120.272 120.400 0.254 0.000 2.097 370 K HA -0.142 4.181 4.320 0.004 0.000 0.206 370 K C 1.523 178.195 176.600 0.119 0.000 1.049 370 K CA 1.458 57.850 56.287 0.175 0.000 0.933 370 K CB -0.403 32.183 32.500 0.143 0.000 0.717 370 K HN 0.597 nan 8.250 nan 0.000 0.442 371 H N -1.292 117.935 119.070 0.261 0.000 2.524 371 H HA 0.166 4.724 4.556 0.003 0.000 0.299 371 H C -0.558 174.947 175.328 0.295 0.000 1.074 371 H CA -0.698 55.505 56.048 0.257 0.000 1.115 371 H CB -0.602 29.357 29.762 0.327 0.000 1.522 371 H HN -0.047 nan 8.280 nan 0.000 0.543 372 F N 4.141 124.229 119.950 0.229 0.000 2.608 372 F HA 0.108 4.638 4.527 0.005 0.000 0.380 372 F C -1.754 174.090 175.800 0.074 0.000 1.083 372 F CA -2.285 55.815 58.000 0.167 0.000 1.266 372 F CB 0.617 39.737 39.000 0.200 0.000 1.076 372 F HN 0.118 nan 8.300 nan 0.000 0.574 373 P HA 0.282 nan 4.420 nan 0.000 0.278 373 P C -0.318 176.691 177.300 -0.485 0.000 1.238 373 P CA -0.351 62.457 63.100 -0.487 0.000 0.794 373 P CB 1.198 32.326 31.700 -0.953 0.000 0.955 374 G N 1.102 109.682 108.800 -0.367 0.000 2.568 374 G HA2 0.200 4.162 3.960 0.004 0.000 0.293 374 G HA3 0.200 4.162 3.960 0.004 0.000 0.293 374 G C 0.841 175.500 174.900 -0.401 0.000 1.347 374 G CA -0.488 44.446 45.100 -0.276 0.000 1.039 374 G HN 0.576 nan 8.290 nan 0.000 0.523 375 E N -0.642 119.444 120.200 -0.190 0.000 2.209 375 E HA -0.188 4.164 4.350 0.004 0.000 0.196 375 E C 1.978 178.618 176.600 0.068 0.000 0.993 375 E CA 0.911 57.276 56.400 -0.057 0.000 0.819 375 E CB -0.075 29.633 29.700 0.013 0.000 0.745 375 E HN 0.431 nan 8.360 nan 0.000 0.477 376 R N -0.504 120.010 120.500 0.023 0.000 2.299 376 R HA -0.011 4.331 4.340 0.004 0.000 0.197 376 R C -0.513 175.954 176.300 0.279 0.000 0.971 376 R CA 0.367 56.545 56.100 0.131 0.000 1.030 376 R CB -0.213 30.123 30.300 0.061 0.000 0.932 376 R HN 0.204 nan 8.270 nan 0.000 0.477 377 W N 1.891 123.241 121.300 0.083 0.000 6.691 377 W HA -0.227 4.434 4.660 0.001 0.000 0.427 377 W C -0.322 176.221 176.519 0.039 0.000 1.730 377 W CA 0.114 57.529 57.345 0.118 0.000 1.093 377 W CB -1.619 28.038 29.460 0.328 0.000 2.949 377 W HN 0.104 nan 8.180 nan 0.000 1.461 378 D N 2.242 122.701 120.400 0.098 0.000 2.368 378 D HA 0.028 4.671 4.640 0.004 0.000 0.268 378 D C -0.557 175.739 176.300 -0.007 0.000 1.298 378 D CA -1.332 52.692 54.000 0.040 0.000 0.938 378 D CB 0.983 41.780 40.800 -0.005 0.000 1.101 378 D HN 0.043 nan 8.370 nan 0.000 0.509 379 P HA -0.120 nan 4.420 nan 0.000 0.222 379 P C 1.500 178.763 177.300 -0.062 0.000 1.147 379 P CA 0.321 63.400 63.100 -0.036 0.000 0.790 379 P CB 0.354 32.061 31.700 0.012 0.000 0.780 380 V N -0.370 119.526 119.914 -0.030 0.000 2.379 380 V HA -0.163 3.960 4.120 0.004 0.000 0.245 380 V C 2.451 178.536 176.094 -0.015 0.000 1.044 380 V CA 1.171 63.461 62.300 -0.018 0.000 1.036 380 V CB -1.150 30.673 31.823 0.000 0.000 0.664 380 V HN 0.036 nan 8.190 nan 0.000 0.453 381 L N -0.075 121.133 121.223 -0.025 0.000 2.046 381 L HA -0.097 4.246 4.340 0.004 0.000 0.208 381 L C 2.143 179.001 176.870 -0.020 0.000 1.077 381 L CA 1.871 56.722 54.840 0.019 0.000 0.747 381 L CB -0.408 41.646 42.059 -0.008 0.000 0.896 381 L HN 0.207 nan 8.230 nan 0.000 0.432 382 I N -1.438 118.966 120.570 -0.277 0.000 2.252 382 I HA -0.293 3.880 4.170 0.004 0.000 0.245 382 I C 2.659 178.639 176.117 -0.229 0.000 1.102 382 I CA 1.439 62.390 61.300 -0.582 0.000 1.385 382 I CB -0.474 36.983 38.000 -0.905 0.000 1.064 382 I HN 0.370 nan 8.210 nan 0.000 0.414 383 S N 0.919 116.537 115.700 -0.136 0.000 2.382 383 S HA -0.195 4.277 4.470 0.004 0.000 0.228 383 S C 2.210 176.793 174.600 -0.029 0.000 1.027 383 S CA 1.409 59.569 58.200 -0.067 0.000 0.991 383 S CB -0.208 62.961 63.200 -0.051 0.000 0.823 383 S HN 0.446 nan 8.310 nan 0.000 0.469 384 A N 0.045 122.879 122.820 0.023 0.000 1.898 384 A HA -0.013 4.310 4.320 0.004 0.000 0.216 384 A C 2.032 179.614 177.584 -0.003 0.000 1.181 384 A CA 1.540 53.618 52.037 0.068 0.000 0.620 384 A CB -1.245 17.871 19.000 0.194 0.000 0.819 384 A HN 0.769 nan 8.150 nan 0.000 0.442 385 Y N 1.415 121.586 120.300 -0.215 0.000 2.145 385 Y HA -0.250 4.302 4.550 0.003 0.000 0.286 385 Y C 2.301 178.108 175.900 -0.155 0.000 1.145 385 Y CA 2.202 60.064 58.100 -0.397 0.000 1.148 385 Y CB -0.240 38.074 38.460 -0.243 0.000 0.981 385 Y HN 0.320 nan 8.280 nan 0.000 0.507 386 N N 0.523 119.248 118.700 0.041 0.000 2.149 386 N HA -0.193 4.550 4.740 0.004 0.000 0.188 386 N C 1.743 177.153 175.510 -0.166 0.000 1.019 386 N CA 1.610 54.642 53.050 -0.030 0.000 0.857 386 N CB -0.342 38.160 38.487 0.024 0.000 0.997 386 N HN 0.554 nan 8.380 nan 0.000 0.426 387 E N 1.004 121.088 120.200 -0.194 0.000 2.051 387 E HA -0.116 4.236 4.350 0.004 0.000 0.192 387 E C 2.070 178.425 176.600 -0.408 0.000 0.991 387 E CA 0.708 56.902 56.400 -0.343 0.000 0.799 387 E CB -0.099 29.416 29.700 -0.310 0.000 0.748 387 E HN 0.336 nan 8.360 nan 0.000 0.449 388 R N -0.064 120.299 120.500 -0.229 0.000 2.096 388 R HA -0.141 4.202 4.340 0.004 0.000 0.240 388 R C 2.406 178.655 176.300 -0.086 0.000 1.139 388 R CA 1.666 57.718 56.100 -0.080 0.000 0.952 388 R CB -0.170 30.087 30.300 -0.073 0.000 0.854 388 R HN 0.189 nan 8.270 nan 0.000 0.436 389 M N -0.482 118.963 119.600 -0.258 0.000 2.229 389 M HA -0.035 4.448 4.480 0.004 0.000 0.264 389 M C 2.395 178.615 176.300 -0.135 0.000 1.063 389 M CA 1.286 56.456 55.300 -0.216 0.000 1.114 389 M CB -0.864 31.551 32.600 -0.308 0.000 1.387 389 M HN 0.179 nan 8.290 nan 0.000 0.420 390 A N -0.350 122.382 122.820 -0.147 0.000 1.873 390 A HA -0.177 4.146 4.320 0.004 0.000 0.215 390 A C 1.928 179.526 177.584 0.023 0.000 1.186 390 A CA 1.594 53.575 52.037 -0.094 0.000 0.616 390 A CB -1.193 17.719 19.000 -0.147 0.000 0.823 390 A HN 0.570 nan 8.150 nan 0.000 0.442 391 H N -1.511 117.587 119.070 0.046 0.000 2.353 391 H HA -0.109 4.449 4.556 0.004 0.000 0.300 391 H C 2.187 177.627 175.328 0.187 0.000 1.090 391 H CA 1.438 57.602 56.048 0.192 0.000 1.327 391 H CB -0.148 29.754 29.762 0.234 0.000 1.383 391 H HN 0.541 nan 8.280 nan 0.000 0.508 392 M N 0.657 120.421 119.600 0.274 0.000 2.082 392 M HA -0.194 4.289 4.480 0.004 0.000 0.258 392 M C 1.819 178.217 176.300 0.164 0.000 1.069 392 M CA 1.666 57.113 55.300 0.244 0.000 1.102 392 M CB 0.019 32.708 32.600 0.148 0.000 1.336 392 M HN 0.126 nan 8.290 nan 0.000 0.404 393 V N 0.394 120.273 119.914 -0.058 0.000 2.446 393 V HA -0.199 3.924 4.120 0.004 0.000 0.244 393 V C 1.794 177.900 176.094 0.019 0.000 1.039 393 V CA 1.792 64.024 62.300 -0.114 0.000 1.045 393 V CB -0.905 30.767 31.823 -0.251 0.000 0.681 393 V HN 0.424 nan 8.190 nan 0.000 0.459 394 D N 1.103 121.479 120.400 -0.041 0.000 2.149 394 D HA -0.130 4.513 4.640 0.004 0.000 0.198 394 D C 2.199 178.197 176.300 -0.503 0.000 0.990 394 D CA 1.672 55.554 54.000 -0.196 0.000 0.839 394 D CB -0.572 40.205 40.800 -0.038 0.000 0.948 394 D HN 0.458 nan 8.370 nan 0.000 0.460 395 G N 0.566 108.887 108.800 -0.798 0.000 2.421 395 G HA2 -0.206 3.757 3.960 0.004 0.000 0.216 395 G HA3 -0.206 3.757 3.960 0.004 0.000 0.216 395 G C 1.858 176.564 174.900 -0.323 0.000 1.171 395 G CA 0.767 45.112 45.100 -1.258 0.000 0.775 395 G HN 0.252 nan 8.290 nan 0.000 0.543 396 V N 1.118 121.075 119.914 0.071 0.000 2.343 396 V HA -0.160 3.963 4.120 0.004 0.000 0.247 396 V C 2.674 178.822 176.094 0.090 0.000 1.051 396 V CA 2.227 64.684 62.300 0.263 0.000 1.036 396 V CB -0.391 31.739 31.823 0.512 0.000 0.654 396 V HN 0.503 nan 8.190 nan 0.000 0.451 397 K N 0.434 120.825 120.400 -0.015 0.000 2.063 397 K HA -0.287 4.036 4.320 0.004 0.000 0.208 397 K C 2.195 178.714 176.600 -0.135 0.000 1.048 397 K CA 2.265 58.471 56.287 -0.135 0.000 0.928 397 K CB -0.179 32.025 32.500 -0.494 0.000 0.713 397 K HN 0.584 nan 8.250 nan 0.000 0.442 398 E N -0.508 119.618 120.200 -0.124 0.000 2.072 398 E HA -0.192 4.161 4.350 0.004 0.000 0.191 398 E C 1.882 178.488 176.600 0.010 0.000 0.985 398 E CA 0.900 57.292 56.400 -0.012 0.000 0.801 398 E CB -0.197 29.547 29.700 0.073 0.000 0.750 398 E HN 0.358 nan 8.360 nan 0.000 0.452 399 F N 1.442 121.196 119.950 -0.326 0.000 2.134 399 F HA -0.152 4.378 4.527 0.004 0.000 0.299 399 F C 1.791 177.346 175.800 -0.410 0.000 1.097 399 F CA 1.291 58.850 58.000 -0.736 0.000 1.264 399 F CB -0.345 38.142 39.000 -0.856 0.000 1.001 399 F HN 0.025 nan 8.300 nan 0.000 0.479 400 L N -0.913 120.086 121.223 -0.373 0.000 2.056 400 L HA -0.206 4.137 4.340 0.004 0.000 0.207 400 L C 2.383 179.168 176.870 -0.141 0.000 1.078 400 L CA 1.023 55.577 54.840 -0.477 0.000 0.749 400 L CB -0.957 40.953 42.059 -0.248 0.000 0.901 400 L HN -0.031 nan 8.230 nan 0.000 0.433 401 V N 0.100 120.000 119.914 -0.023 0.000 2.407 401 V HA -0.283 3.839 4.120 0.004 0.000 0.248 401 V C 2.438 178.572 176.094 0.067 0.000 1.055 401 V CA 1.456 63.810 62.300 0.090 0.000 1.049 401 V CB -0.466 31.379 31.823 0.036 0.000 0.662 401 V HN 0.339 nan 8.190 nan 0.000 0.455 402 L N -0.000 121.203 121.223 -0.034 0.000 2.129 402 L HA -0.218 4.125 4.340 0.004 0.000 0.212 402 L C 2.284 179.062 176.870 -0.153 0.000 1.087 402 L CA 2.126 56.917 54.840 -0.082 0.000 0.757 402 L CB -0.891 41.073 42.059 -0.158 0.000 0.896 402 L HN 0.398 nan 8.230 nan 0.000 0.434 403 H N -2.065 116.739 119.070 -0.442 0.000 2.357 403 H HA -0.112 4.447 4.556 0.004 0.000 0.301 403 H C 1.868 177.006 175.328 -0.318 0.000 1.082 403 H CA 2.298 57.980 56.048 -0.610 0.000 1.342 403 H CB -0.521 28.682 29.762 -0.931 0.000 1.389 403 H HN 0.398 nan 8.280 nan 0.000 0.511 404 Y N 0.684 121.083 120.300 0.165 0.000 2.314 404 Y HA -0.096 4.456 4.550 0.004 0.000 0.293 404 Y C 2.161 178.175 175.900 0.191 0.000 1.129 404 Y CA 0.755 59.025 58.100 0.283 0.000 1.201 404 Y CB 0.123 38.693 38.460 0.183 0.000 0.999 404 Y HN 0.012 nan 8.280 nan 0.000 0.541 405 K N -0.535 119.988 120.400 0.205 0.000 2.155 405 K HA 0.027 4.349 4.320 0.004 0.000 0.203 405 K C 2.257 178.898 176.600 0.069 0.000 1.052 405 K CA 1.048 57.407 56.287 0.121 0.000 0.948 405 K CB -0.797 31.745 32.500 0.071 0.000 0.728 405 K HN 0.393 nan 8.250 nan 0.000 0.448 406 G N 1.079 109.880 108.800 0.001 0.000 2.511 406 G HA2 -0.007 3.956 3.960 0.004 0.000 0.217 406 G HA3 -0.007 3.956 3.960 0.004 0.000 0.217 406 G C 0.512 175.413 174.900 0.003 0.000 1.133 406 G CA 0.396 45.460 45.100 -0.059 0.000 0.792 406 G HN 0.311 nan 8.290 nan 0.000 0.539 407 A N 0.332 123.223 122.820 0.119 0.000 2.491 407 A HA 0.376 4.698 4.320 0.004 0.000 0.261 407 A C 1.164 178.815 177.584 0.111 0.000 1.101 407 A CA -0.040 52.110 52.037 0.188 0.000 0.772 407 A CB 0.291 19.535 19.000 0.408 0.000 1.043 407 A HN 0.433 nan 8.150 nan 0.000 0.501 408 Q N 1.184 121.008 119.800 0.041 0.000 2.398 408 Q HA -0.030 4.313 4.340 0.004 0.000 0.204 408 Q C 0.752 176.749 176.000 -0.006 0.000 0.932 408 Q CA 0.274 56.090 55.803 0.020 0.000 0.916 408 Q CB 0.031 28.771 28.738 0.004 0.000 1.024 408 Q HN 0.894 nan 8.270 nan 0.000 0.504 409 R N 1.176 121.620 120.500 -0.093 0.000 2.590 409 R HA 0.063 4.406 4.340 0.004 0.000 0.274 409 R C -0.350 175.940 176.300 -0.017 0.000 1.061 409 R CA 0.480 56.485 56.100 -0.158 0.000 1.081 409 R CB 0.369 30.415 30.300 -0.424 0.000 0.984 409 R HN -0.026 nan 8.270 nan 0.000 0.448 410 E N 1.385 121.611 120.200 0.043 0.000 3.843 410 E HA 0.000 4.353 4.350 0.004 0.000 0.189 410 E C -0.697 175.988 176.600 0.140 0.000 1.013 410 E CA -0.147 56.340 56.400 0.144 0.000 1.395 410 E CB 0.657 30.418 29.700 0.102 0.000 1.136 410 E HN 0.802 nan 8.360 nan 0.000 0.444 411 D N -0.111 120.375 120.400 0.144 0.000 2.379 411 D HA -0.040 4.603 4.640 0.004 0.000 0.208 411 D C 0.805 177.209 176.300 0.174 0.000 1.065 411 D CA 0.314 54.384 54.000 0.117 0.000 0.848 411 D CB 0.491 41.320 40.800 0.048 0.000 0.949 411 D HN 0.132 nan 8.370 nan 0.000 0.509 412 T N -3.788 110.932 114.554 0.276 0.000 2.865 412 T HA 0.419 4.772 4.350 0.004 0.000 0.294 412 T C -2.435 172.393 174.700 0.212 0.000 1.119 412 T CA -1.572 60.678 62.100 0.249 0.000 1.007 412 T CB 2.303 71.350 68.868 0.297 0.000 1.225 412 T HN -0.429 nan 8.240 nan 0.000 0.515 413 P HA -0.072 nan 4.420 nan 0.000 0.218 413 P C 1.053 178.332 177.300 -0.035 0.000 1.148 413 P CA 0.853 64.067 63.100 0.191 0.000 0.822 413 P CB -0.185 31.724 31.700 0.348 0.000 0.784 414 Y N -1.085 118.956 120.300 -0.432 0.000 2.114 414 Y HA -0.200 4.352 4.550 0.004 0.000 0.284 414 Y C 2.005 177.455 175.900 -0.750 0.000 1.143 414 Y CA 1.638 59.071 58.100 -1.112 0.000 1.135 414 Y CB -0.932 36.934 38.460 -0.991 0.000 0.980 414 Y HN -0.102 nan 8.280 nan 0.000 0.499 415 W N 0.717 121.997 121.300 -0.033 0.000 2.467 415 W HA -0.050 4.612 4.660 0.004 0.000 0.275 415 W C 2.301 178.786 176.519 -0.058 0.000 1.239 415 W CA 1.067 58.402 57.345 -0.016 0.000 1.266 415 W CB -0.121 29.393 29.460 0.091 0.000 1.112 415 W HN -0.093 nan 8.180 nan 0.000 0.576 416 K N 0.051 120.524 120.400 0.122 0.000 2.097 416 K HA -0.071 4.251 4.320 0.004 0.000 0.205 416 K C 2.245 178.849 176.600 0.006 0.000 1.050 416 K CA 1.358 57.695 56.287 0.083 0.000 0.938 416 K CB -0.454 32.102 32.500 0.092 0.000 0.718 416 K HN 0.108 nan 8.250 nan 0.000 0.442 417 A N 1.365 124.125 122.820 -0.100 0.000 1.968 417 A HA 0.007 4.329 4.320 0.004 0.000 0.217 417 A C 2.311 179.777 177.584 -0.196 0.000 1.169 417 A CA 1.429 53.394 52.037 -0.119 0.000 0.638 417 A CB -0.425 18.518 19.000 -0.095 0.000 0.812 417 A HN 0.297 nan 8.150 nan 0.000 0.446 418 A N -0.096 122.532 122.820 -0.319 0.000 1.972 418 A HA -0.149 4.174 4.320 0.004 0.000 0.219 418 A C 2.105 179.683 177.584 -0.010 0.000 1.169 418 A CA 1.822 53.723 52.037 -0.226 0.000 0.635 418 A CB -0.398 18.471 19.000 -0.219 0.000 0.810 418 A HN 0.503 nan 8.150 nan 0.000 0.446 419 K N -0.469 119.956 120.400 0.042 0.000 2.097 419 K HA -0.130 4.193 4.320 0.004 0.000 0.205 419 K C 1.654 178.278 176.600 0.041 0.000 1.050 419 K CA 1.793 58.123 56.287 0.072 0.000 0.938 419 K CB -0.114 32.438 32.500 0.086 0.000 0.718 419 K HN 0.645 nan 8.250 nan 0.000 0.442 420 T N -2.465 112.100 114.554 0.019 0.000 3.054 420 T HA 0.161 4.513 4.350 0.004 0.000 0.255 420 T C 0.608 175.313 174.700 0.008 0.000 1.035 420 T CA -0.512 61.598 62.100 0.018 0.000 0.941 420 T CB 0.134 69.016 68.868 0.023 0.000 1.026 420 T HN 0.059 nan 8.240 nan 0.000 0.533 421 R N 1.631 122.124 120.500 -0.011 0.000 2.590 421 R HA 0.537 4.879 4.340 0.004 0.000 0.274 421 R C 0.497 176.795 176.300 -0.004 0.000 1.061 421 R CA -0.027 56.062 56.100 -0.019 0.000 1.081 421 R CB 0.144 30.407 30.300 -0.062 0.000 0.984 421 R HN 0.398 nan 8.270 nan 0.000 0.448 422 A N 4.761 127.581 122.820 -0.000 0.000 2.547 422 A HA 0.075 4.398 4.320 0.004 0.000 0.233 422 A C 0.025 177.611 177.584 0.002 0.000 1.067 422 A CA 0.556 52.596 52.037 0.005 0.000 0.763 422 A CB 0.242 19.246 19.000 0.007 0.000 1.007 422 A HN 0.759 nan 8.150 nan 0.000 0.506 423 M N 1.367 120.971 119.600 0.007 0.000 2.664 423 M HA 0.393 4.876 4.480 0.004 0.000 0.314 423 M C -2.297 174.003 176.300 -0.001 0.000 1.200 423 M CA -1.807 53.497 55.300 0.007 0.000 0.916 423 M CB 1.534 34.147 32.600 0.021 0.000 1.717 423 M HN 0.423 nan 8.290 nan 0.000 0.470 424 P HA 0.050 nan 4.420 nan 0.000 0.269 424 P C -1.198 176.111 177.300 0.015 0.000 1.215 424 P CA -0.135 62.954 63.100 -0.018 0.000 0.780 424 P CB 0.231 31.906 31.700 -0.043 0.000 0.898 425 D N 0.903 121.315 120.400 0.020 0.000 2.533 425 D HA 0.205 4.847 4.640 0.004 0.000 0.236 425 D C 1.554 177.882 176.300 0.047 0.000 1.137 425 D CA 1.831 55.849 54.000 0.031 0.000 0.867 425 D CB 0.304 41.123 40.800 0.033 0.000 1.170 425 D HN 0.693 nan 8.370 nan 0.000 0.474 426 G N 1.382 110.205 108.800 0.038 0.000 2.284 426 G HA2 -0.302 3.661 3.960 0.004 0.000 0.216 426 G HA3 -0.302 3.661 3.960 0.004 0.000 0.216 426 G C 0.954 175.884 174.900 0.049 0.000 1.009 426 G CA 0.212 45.335 45.100 0.040 0.000 0.625 426 G HN 0.475 nan 8.290 nan 0.000 0.501 427 L N 1.842 123.106 121.223 0.068 0.000 2.072 427 L HA 0.568 4.911 4.340 0.004 0.000 0.205 427 L C 3.111 180.014 176.870 0.055 0.000 1.079 427 L CA 2.927 57.819 54.840 0.087 0.000 0.752 427 L CB -0.915 41.198 42.059 0.091 0.000 0.906 427 L HN 0.733 nan 8.230 nan 0.000 0.436 428 A N -0.195 122.646 122.820 0.035 0.000 1.892 428 A HA -0.316 4.006 4.320 0.004 0.000 0.218 428 A C 2.446 180.037 177.584 0.012 0.000 1.188 428 A CA 2.141 54.191 52.037 0.022 0.000 0.631 428 A CB -0.663 18.347 19.000 0.017 0.000 0.822 428 A HN 0.465 nan 8.150 nan 0.000 0.447 429 R N 0.271 120.774 120.500 0.006 0.000 2.081 429 R HA -0.090 4.252 4.340 0.004 0.000 0.235 429 R C 1.949 178.236 176.300 -0.022 0.000 1.131 429 R CA 2.195 58.289 56.100 -0.009 0.000 0.960 429 R CB -0.503 29.787 30.300 -0.017 0.000 0.856 429 R HN 0.589 nan 8.270 nan 0.000 0.436 430 K N 0.050 120.444 120.400 -0.011 0.000 2.097 430 K HA -0.091 4.232 4.320 0.004 0.000 0.206 430 K C 2.070 178.664 176.600 -0.010 0.000 1.049 430 K CA 1.660 57.938 56.287 -0.016 0.000 0.933 430 K CB -0.230 32.291 32.500 0.035 0.000 0.717 430 K HN 0.201 nan 8.250 nan 0.000 0.442 431 L N 0.994 122.224 121.223 0.011 0.000 2.056 431 L HA -0.186 4.157 4.340 0.004 0.000 0.207 431 L C 2.220 179.076 176.870 -0.024 0.000 1.078 431 L CA 1.346 56.186 54.840 -0.001 0.000 0.749 431 L CB -0.460 41.606 42.059 0.012 0.000 0.901 431 L HN 0.227 nan 8.230 nan 0.000 0.433 432 E N 0.428 120.615 120.200 -0.021 0.000 2.038 432 E HA -0.236 4.117 4.350 0.004 0.000 0.195 432 E C 2.331 178.900 176.600 -0.051 0.000 1.000 432 E CA 1.202 57.588 56.400 -0.024 0.000 0.803 432 E CB -0.244 29.449 29.700 -0.012 0.000 0.750 432 E HN 0.399 nan 8.360 nan 0.000 0.448 433 L N 0.797 121.967 121.223 -0.088 0.000 2.042 433 L HA -0.224 4.119 4.340 0.004 0.000 0.210 433 L C 2.538 179.234 176.870 -0.290 0.000 1.076 433 L CA 1.035 55.750 54.840 -0.208 0.000 0.749 433 L CB -0.344 41.560 42.059 -0.258 0.000 0.893 433 L HN 0.055 nan 8.230 nan 0.000 0.432 434 S N -0.436 115.155 115.700 -0.181 0.000 2.419 434 S HA -0.117 4.356 4.470 0.004 0.000 0.233 434 S C 2.043 176.584 174.600 -0.098 0.000 1.016 434 S CA 1.036 59.149 58.200 -0.145 0.000 0.974 434 S CB -0.209 62.942 63.200 -0.082 0.000 0.786 434 S HN 0.502 nan 8.310 nan 0.000 0.492 435 A N 0.442 123.222 122.820 -0.067 0.000 2.119 435 A HA 0.062 4.385 4.320 0.004 0.000 0.216 435 A C 2.144 179.721 177.584 -0.011 0.000 1.152 435 A CA 1.473 53.490 52.037 -0.034 0.000 0.708 435 A CB -0.349 18.639 19.000 -0.020 0.000 0.805 435 A HN 0.489 nan 8.150 nan 0.000 0.460 436 S N -1.123 114.577 115.700 -0.000 0.000 2.545 436 S HA 0.167 4.640 4.470 0.004 0.000 0.232 436 S C 0.606 175.315 174.600 0.182 0.000 1.070 436 S CA 0.629 58.890 58.200 0.101 0.000 0.923 436 S CB -0.019 63.301 63.200 0.200 0.000 0.806 436 S HN 0.812 nan 8.310 nan 0.000 0.506 437 H N -1.032 118.027 119.070 -0.019 0.000 2.932 437 H HA 0.392 4.950 4.556 0.004 0.000 0.307 437 H C -1.325 173.994 175.328 -0.015 0.000 1.391 437 H CA -0.992 55.046 56.048 -0.016 0.000 1.130 437 H CB -0.047 29.709 29.762 -0.010 0.000 1.836 437 H HN 0.186 nan 8.280 nan 0.000 0.522 438 L N 1.750 122.990 121.223 0.027 0.000 2.426 438 L HA 0.182 4.525 4.340 0.004 0.000 0.271 438 L C 0.840 177.665 176.870 -0.075 0.000 1.169 438 L CA -0.576 54.242 54.840 -0.036 0.000 0.836 438 L CB 0.346 42.419 42.059 0.024 0.000 1.112 438 L HN 0.299 nan 8.230 nan 0.000 0.465 439 L N 2.461 123.631 121.223 -0.089 0.000 2.482 439 L HA 0.031 4.373 4.340 0.004 0.000 0.273 439 L C -0.096 176.750 176.870 -0.039 0.000 1.228 439 L CA 0.335 55.121 54.840 -0.091 0.000 0.827 439 L CB 0.384 42.398 42.059 -0.074 0.000 1.099 439 L HN 0.755 nan 8.230 nan 0.000 0.494 440 D N -1.443 118.915 120.400 -0.069 0.000 2.812 440 D HA 0.183 4.825 4.640 0.004 0.000 0.318 440 D C 0.215 176.457 176.300 -0.097 0.000 1.234 440 D CA -0.664 53.310 54.000 -0.043 0.000 0.989 440 D CB 0.514 41.308 40.800 -0.011 0.000 1.442 440 D HN 0.309 nan 8.370 nan 0.000 0.537 441 E N -0.850 119.310 120.200 -0.067 0.000 2.171 441 E HA -0.174 4.178 4.350 0.004 0.000 0.197 441 E C 1.520 178.043 176.600 -0.129 0.000 0.997 441 E CA 1.526 57.875 56.400 -0.086 0.000 0.810 441 E CB -0.117 29.556 29.700 -0.044 0.000 0.738 441 E HN 0.327 nan 8.360 nan 0.000 0.467 442 Q N -0.901 118.829 119.800 -0.117 0.000 2.354 442 Q HA 0.055 4.398 4.340 0.004 0.000 0.203 442 Q C 1.692 177.591 176.000 -0.168 0.000 0.933 442 Q CA 1.548 57.271 55.803 -0.132 0.000 0.901 442 Q CB 0.326 29.009 28.738 -0.092 0.000 1.007 442 Q HN 0.523 nan 8.270 nan 0.000 0.495 443 T N -2.927 111.518 114.554 -0.182 0.000 3.010 443 T HA 0.271 4.624 4.350 0.004 0.000 0.257 443 T C 1.243 175.746 174.700 -0.329 0.000 1.020 443 T CA -0.343 61.633 62.100 -0.207 0.000 0.938 443 T CB -0.195 68.585 68.868 -0.146 0.000 1.049 443 T HN 0.216 nan 8.240 nan 0.000 0.522 444 I N -1.310 118.990 120.570 -0.450 0.000 3.418 444 I HA 0.504 4.677 4.170 0.004 0.000 0.279 444 I C 0.502 176.230 176.117 -0.650 0.000 1.143 444 I CA -1.509 59.284 61.300 -0.845 0.000 0.983 444 I CB 0.244 37.543 38.000 -1.167 0.000 1.558 444 I HN -0.025 nan 8.210 nan 0.000 0.766 445 Y N 3.366 123.131 120.300 -0.893 0.000 2.632 445 Y HA 0.159 4.711 4.550 0.004 0.000 0.329 445 Y C -1.728 173.967 175.900 -0.341 0.000 1.174 445 Y CA -1.371 56.425 58.100 -0.506 0.000 1.469 445 Y CB 0.470 38.613 38.460 -0.529 0.000 1.242 445 Y HN 0.394 nan 8.280 nan 0.000 0.540 446 P HA -0.049 nan 4.420 nan 0.000 0.235 446 P C -0.900 176.013 177.300 -0.645 0.000 1.177 446 P CA 0.987 63.679 63.100 -0.680 0.000 0.785 446 P CB 0.312 31.498 31.700 -0.857 0.000 0.885 447 Y N -1.243 118.859 120.300 -0.330 0.000 2.403 447 Y HA 0.325 4.878 4.550 0.005 0.000 0.323 447 Y C 0.769 176.911 175.900 0.404 0.000 1.226 447 Y CA -1.347 56.754 58.100 0.003 0.000 1.235 447 Y CB -0.063 38.246 38.460 -0.252 0.000 1.248 447 Y HN -0.197 nan 8.280 nan 0.000 0.489 448 Y N 4.506 125.068 120.300 0.437 0.000 2.721 448 Y HA 0.011 4.563 4.550 0.004 0.000 0.329 448 Y C 0.805 176.972 175.900 0.444 0.000 1.211 448 Y CA 0.167 58.474 58.100 0.345 0.000 1.512 448 Y CB 0.050 38.639 38.460 0.215 0.000 1.249 448 Y HN 0.640 nan 8.280 nan 0.000 0.549 449 H N 4.141 122.984 119.070 -0.379 0.000 2.904 449 H HA 0.330 4.888 4.556 0.004 0.000 0.242 449 H C 1.043 176.047 175.328 -0.539 0.000 1.193 449 H CA -0.075 55.861 56.048 -0.185 0.000 0.946 449 H CB -0.006 29.798 29.762 0.070 0.000 2.135 449 H HN 0.874 nan 8.280 nan 0.000 0.652 450 G N 1.413 109.326 108.800 -1.479 0.000 3.909 450 G HA2 -0.326 3.637 3.960 0.004 0.000 0.218 450 G HA3 -0.326 3.637 3.960 0.004 0.000 0.218 450 G C -0.006 174.212 174.900 -1.135 0.000 1.404 450 G CA 0.214 44.387 45.100 -1.545 0.000 0.905 450 G HN 0.269 nan 8.290 nan 0.000 0.589 451 F N 3.066 122.438 119.950 -0.963 0.000 2.459 451 F HA 0.567 5.097 4.527 0.004 0.000 0.346 451 F C 1.176 176.729 175.800 -0.412 0.000 1.128 451 F CA 0.101 57.758 58.000 -0.572 0.000 1.268 451 F CB 0.652 39.219 39.000 -0.722 0.000 1.161 451 F HN 0.275 nan 8.300 nan 0.000 0.583 452 E N 0.284 120.470 120.200 -0.023 0.000 2.259 452 E HA 0.219 4.572 4.350 0.004 0.000 0.257 452 E C 0.781 177.417 176.600 0.061 0.000 0.998 452 E CA -0.607 55.804 56.400 0.019 0.000 0.866 452 E CB 1.124 30.878 29.700 0.090 0.000 1.220 452 E HN 0.574 nan 8.360 nan 0.000 0.415 453 T N 0.315 114.925 114.554 0.094 0.000 2.699 453 T HA -0.256 4.097 4.350 0.004 0.000 0.268 453 T C 1.819 176.634 174.700 0.193 0.000 1.036 453 T CA 2.088 64.259 62.100 0.118 0.000 1.147 453 T CB -0.470 68.460 68.868 0.104 0.000 0.862 453 T HN 0.562 nan 8.240 nan 0.000 0.446 454 Y N 1.384 121.834 120.300 0.249 0.000 2.333 454 Y HA 0.011 4.564 4.550 0.005 0.000 0.290 454 Y C 2.417 178.489 175.900 0.287 0.000 1.144 454 Y CA 0.762 59.039 58.100 0.296 0.000 1.228 454 Y CB -0.925 37.746 38.460 0.351 0.000 0.985 454 Y HN 0.042 nan 8.280 nan 0.000 0.542 455 S N 0.145 115.613 115.700 -0.386 0.000 2.355 455 S HA -0.154 4.319 4.470 0.004 0.000 0.222 455 S C 1.482 175.986 174.600 -0.161 0.000 1.031 455 S CA 1.461 59.492 58.200 -0.282 0.000 0.993 455 S CB -0.617 62.490 63.200 -0.155 0.000 0.859 455 S HN 0.691 nan 8.310 nan 0.000 0.453 456 W N 1.793 122.976 121.300 -0.196 0.000 2.335 456 W HA 0.015 4.678 4.660 0.004 0.000 0.311 456 W C 2.088 178.564 176.519 -0.072 0.000 1.213 456 W CA 0.383 57.691 57.345 -0.061 0.000 1.274 456 W CB -0.761 28.649 29.460 -0.083 0.000 1.148 456 W HN 0.230 nan 8.180 nan 0.000 0.498 457 I N -0.539 120.132 120.570 0.169 0.000 2.179 457 I HA -0.323 3.849 4.170 0.004 0.000 0.242 457 I C 2.266 178.335 176.117 -0.079 0.000 1.088 457 I CA 1.740 63.064 61.300 0.040 0.000 1.357 457 I CB -0.984 37.076 38.000 0.100 0.000 1.051 457 I HN -0.068 nan 8.210 nan 0.000 0.409 458 T N 0.847 115.443 114.554 0.070 0.000 2.684 458 T HA -0.184 4.168 4.350 0.004 0.000 0.267 458 T C 1.932 176.547 174.700 -0.141 0.000 1.036 458 T CA 1.302 63.501 62.100 0.165 0.000 1.148 458 T CB -0.117 68.979 68.868 0.381 0.000 0.863 458 T HN 0.147 nan 8.240 nan 0.000 0.436 459 M N 1.630 121.042 119.600 -0.313 0.000 2.086 459 M HA -0.048 4.434 4.480 0.004 0.000 0.261 459 M C 2.111 178.094 176.300 -0.527 0.000 1.067 459 M CA 1.292 56.263 55.300 -0.548 0.000 1.116 459 M CB -1.507 30.590 32.600 -0.839 0.000 1.348 459 M HN 0.168 nan 8.290 nan 0.000 0.407 460 N N 0.689 119.176 118.700 -0.355 0.000 2.069 460 N HA -0.079 4.663 4.740 0.004 0.000 0.191 460 N C 1.919 177.217 175.510 -0.353 0.000 1.031 460 N CA 1.217 54.089 53.050 -0.297 0.000 0.852 460 N CB -0.472 37.913 38.487 -0.169 0.000 1.018 460 N HN 0.352 nan 8.380 nan 0.000 0.423 461 L N -0.059 120.920 121.223 -0.407 0.000 2.056 461 L HA -0.043 4.299 4.340 0.004 0.000 0.207 461 L C 2.402 178.967 176.870 -0.508 0.000 1.078 461 L CA 1.242 55.813 54.840 -0.450 0.000 0.749 461 L CB -0.917 40.678 42.059 -0.774 0.000 0.901 461 L HN 0.221 nan 8.230 nan 0.000 0.433 462 G N 0.202 108.537 108.800 -0.774 0.000 2.418 462 G HA2 -0.211 3.751 3.960 0.004 0.000 0.217 462 G HA3 -0.211 3.751 3.960 0.004 0.000 0.217 462 G C 1.594 175.656 174.900 -1.396 0.000 1.158 462 G CA 0.535 44.639 45.100 -1.660 0.000 0.771 462 G HN 0.253 nan 8.290 nan 0.000 0.545 463 L N -0.216 120.472 121.223 -0.892 0.000 2.418 463 L HA 0.285 4.628 4.340 0.004 0.000 0.218 463 L C 2.034 178.756 176.870 -0.247 0.000 1.125 463 L CA 0.670 55.255 54.840 -0.426 0.000 0.835 463 L CB 0.237 42.078 42.059 -0.363 0.000 0.953 463 L HN 0.423 nan 8.230 nan 0.000 0.454 464 G N 0.160 108.804 108.800 -0.260 0.000 2.159 464 G HA2 -0.194 3.769 3.960 0.004 0.000 0.170 464 G HA3 -0.194 3.769 3.960 0.004 0.000 0.170 464 G C 0.191 175.022 174.900 -0.116 0.000 1.007 464 G CA -0.596 44.415 45.100 -0.147 0.000 0.672 464 G HN 0.178 nan 8.290 nan 0.000 0.507 465 I N 1.980 122.462 120.570 -0.147 0.000 2.256 465 I HA 0.371 4.544 4.170 0.004 0.000 0.294 465 I C 0.155 176.209 176.117 -0.106 0.000 1.127 465 I CA -0.478 60.757 61.300 -0.108 0.000 1.247 465 I CB 0.798 38.734 38.000 -0.107 0.000 1.460 465 I HN -0.126 nan 8.210 nan 0.000 0.511 466 V N 7.446 127.316 119.914 -0.074 0.000 2.555 466 V HA 0.388 4.510 4.120 0.004 0.000 0.302 466 V C -2.118 173.953 176.094 -0.038 0.000 1.038 466 V CA -1.949 60.319 62.300 -0.054 0.000 0.887 466 V CB 1.900 33.709 31.823 -0.024 0.000 0.991 466 V HN 0.470 nan 8.190 nan 0.000 0.434 467 P HA 0.081 nan 4.420 nan 0.000 0.266 467 P C 0.825 178.115 177.300 -0.016 0.000 1.195 467 P CA 0.164 63.256 63.100 -0.014 0.000 0.768 467 P CB 0.744 32.448 31.700 0.006 0.000 0.838 468 E N 1.747 121.940 120.200 -0.012 0.000 2.085 468 E HA -0.179 4.174 4.350 0.004 0.000 0.194 468 E C 0.283 176.867 176.600 -0.027 0.000 0.994 468 E CA 1.272 57.661 56.400 -0.017 0.000 0.801 468 E CB 0.226 29.919 29.700 -0.010 0.000 0.743 468 E HN 0.347 nan 8.360 nan 0.000 0.453 469 R N -0.598 119.888 120.500 -0.024 0.000 2.799 469 R HA 0.332 4.675 4.340 0.004 0.000 0.270 469 R C -2.642 173.633 176.300 -0.042 0.000 1.010 469 R CA -1.958 54.119 56.100 -0.039 0.000 0.916 469 R CB 1.764 32.042 30.300 -0.036 0.000 1.228 469 R HN -0.076 nan 8.270 nan 0.000 0.469 470 P HA 0.056 nan 4.420 nan 0.000 0.271 470 P C -0.926 176.323 177.300 -0.085 0.000 1.233 470 P CA -0.411 62.641 63.100 -0.080 0.000 0.789 470 P CB 0.502 32.140 31.700 -0.104 0.000 0.951 471 R N 2.105 122.531 120.500 -0.122 0.000 2.421 471 R HA 0.039 4.382 4.340 0.004 0.000 0.305 471 R C -1.474 174.733 176.300 -0.154 0.000 1.039 471 R CA -0.937 55.084 56.100 -0.132 0.000 1.003 471 R CB -0.199 30.005 30.300 -0.161 0.000 0.959 471 R HN 0.367 nan 8.270 nan 0.000 0.427 472 P HA -0.171 nan 4.420 nan 0.000 0.218 472 P C 0.661 177.968 177.300 0.012 0.000 1.148 472 P CA 1.350 64.432 63.100 -0.030 0.000 0.822 472 P CB 0.186 31.887 31.700 0.002 0.000 0.784 473 A N -0.485 122.304 122.820 -0.053 0.000 1.986 473 A HA -0.197 4.126 4.320 0.004 0.000 0.220 473 A C 2.141 179.652 177.584 -0.121 0.000 1.171 473 A CA 1.452 53.461 52.037 -0.048 0.000 0.640 473 A CB -1.635 17.336 19.000 -0.048 0.000 0.811 473 A HN 0.157 nan 8.150 nan 0.000 0.451 474 L N -0.676 120.344 121.223 -0.340 0.000 2.093 474 L HA -0.154 4.188 4.340 0.004 0.000 0.208 474 L C 2.354 179.164 176.870 -0.100 0.000 1.085 474 L CA 0.831 55.434 54.840 -0.395 0.000 0.755 474 L CB -0.581 41.113 42.059 -0.609 0.000 0.904 474 L HN 0.380 nan 8.230 nan 0.000 0.435 475 L N -0.737 120.439 121.223 -0.078 0.000 2.261 475 L HA -0.219 4.124 4.340 0.004 0.000 0.216 475 L C 2.100 178.896 176.870 -0.123 0.000 1.114 475 L CA 0.991 55.774 54.840 -0.096 0.000 0.777 475 L CB -0.786 41.179 42.059 -0.157 0.000 0.910 475 L HN 0.449 nan 8.230 nan 0.000 0.440 476 H N -1.063 117.989 119.070 -0.031 0.000 2.533 476 H HA 0.257 4.816 4.556 0.005 0.000 0.271 476 H C 0.459 175.804 175.328 0.027 0.000 1.000 476 H CA 0.184 56.230 56.048 -0.003 0.000 1.149 476 H CB 0.291 30.049 29.762 -0.006 0.000 1.375 476 H HN 0.329 nan 8.280 nan 0.000 0.582 477 M N 0.265 119.949 119.600 0.140 0.000 2.662 477 M HA 0.139 4.622 4.480 0.004 0.000 0.310 477 M C -0.443 175.954 176.300 0.162 0.000 1.204 477 M CA -1.067 54.337 55.300 0.173 0.000 0.891 477 M CB 2.303 35.049 32.600 0.242 0.000 1.732 477 M HN -0.161 nan 8.290 nan 0.000 0.467 478 D N 2.962 123.441 120.400 0.133 0.000 2.358 478 D HA 0.141 4.783 4.640 0.004 0.000 0.258 478 D C -1.614 174.706 176.300 0.033 0.000 1.223 478 D CA -1.498 52.543 54.000 0.068 0.000 0.886 478 D CB 0.945 41.767 40.800 0.037 0.000 1.120 478 D HN 0.252 nan 8.370 nan 0.000 0.482 479 P HA 0.047 nan 4.420 nan 0.000 0.241 479 P C 0.917 178.103 177.300 -0.190 0.000 1.191 479 P CA 0.185 63.237 63.100 -0.079 0.000 0.771 479 P CB 0.278 32.000 31.700 0.036 0.000 0.929 480 A N 1.641 124.388 122.820 -0.122 0.000 1.883 480 A HA -0.097 4.226 4.320 0.004 0.000 0.217 480 A C -0.009 177.479 177.584 -0.159 0.000 1.186 480 A CA 1.720 53.693 52.037 -0.106 0.000 0.624 480 A CB -2.084 16.879 19.000 -0.061 0.000 0.822 480 A HN 0.213 nan 8.150 nan 0.000 0.444 481 P HA -0.080 nan 4.420 nan 0.000 0.217 481 P C 1.734 178.817 177.300 -0.361 0.000 1.150 481 P CA 1.819 64.779 63.100 -0.234 0.000 0.832 481 P CB -0.113 31.464 31.700 -0.204 0.000 0.787 482 A N -0.436 122.004 122.820 -0.633 0.000 1.877 482 A HA -0.162 4.160 4.320 0.004 0.000 0.216 482 A C 2.217 179.609 177.584 -0.320 0.000 1.186 482 A CA 1.423 52.990 52.037 -0.784 0.000 0.620 482 A CB -1.679 16.449 19.000 -1.454 0.000 0.822 482 A HN 0.098 nan 8.150 nan 0.000 0.443 483 L N -0.726 120.422 121.223 -0.124 0.000 2.079 483 L HA -0.238 4.104 4.340 0.004 0.000 0.210 483 L C 3.068 179.965 176.870 0.045 0.000 1.081 483 L CA 1.129 56.017 54.840 0.081 0.000 0.752 483 L CB -0.508 41.568 42.059 0.028 0.000 0.896 483 L HN 0.458 nan 8.230 nan 0.000 0.433 484 A N -0.395 122.394 122.820 -0.052 0.000 1.898 484 A HA -0.227 4.096 4.320 0.004 0.000 0.216 484 A C 2.187 179.739 177.584 -0.053 0.000 1.181 484 A CA 1.685 53.696 52.037 -0.044 0.000 0.620 484 A CB -0.394 18.568 19.000 -0.064 0.000 0.819 484 A HN 0.350 nan 8.150 nan 0.000 0.442 485 E N -0.373 119.742 120.200 -0.140 0.000 2.077 485 E HA -0.142 4.211 4.350 0.004 0.000 0.193 485 E C 1.548 178.070 176.600 -0.130 0.000 0.989 485 E CA 1.417 57.708 56.400 -0.181 0.000 0.800 485 E CB -0.502 29.006 29.700 -0.319 0.000 0.746 485 E HN 0.646 nan 8.360 nan 0.000 0.452 486 F N 0.633 120.563 119.950 -0.034 0.000 2.161 486 F HA -0.166 4.364 4.527 0.004 0.000 0.300 486 F C 2.424 178.221 175.800 -0.005 0.000 1.089 486 F CA 1.040 59.038 58.000 -0.003 0.000 1.282 486 F CB 0.046 39.058 39.000 0.020 0.000 1.010 486 F HN 0.060 nan 8.300 nan 0.000 0.485 487 E N 0.153 120.453 120.200 0.168 0.000 2.072 487 E HA -0.138 4.214 4.350 0.004 0.000 0.191 487 E C 2.294 178.929 176.600 0.059 0.000 0.985 487 E CA 0.724 57.179 56.400 0.092 0.000 0.801 487 E CB -0.375 29.359 29.700 0.057 0.000 0.750 487 E HN 0.378 nan 8.360 nan 0.000 0.452 488 R N 0.314 120.836 120.500 0.037 0.000 2.096 488 R HA -0.125 4.218 4.340 0.004 0.000 0.240 488 R C 2.617 178.943 176.300 0.043 0.000 1.139 488 R CA 1.118 57.235 56.100 0.027 0.000 0.952 488 R CB -0.454 29.850 30.300 0.006 0.000 0.854 488 R HN 0.164 nan 8.270 nan 0.000 0.436 489 L N -0.269 120.987 121.223 0.055 0.000 2.046 489 L HA -0.198 4.144 4.340 0.004 0.000 0.208 489 L C 2.773 179.682 176.870 0.066 0.000 1.077 489 L CA 1.411 56.294 54.840 0.071 0.000 0.747 489 L CB -0.373 41.737 42.059 0.085 0.000 0.896 489 L HN 0.181 nan 8.230 nan 0.000 0.432 490 R N 0.019 120.563 120.500 0.072 0.000 2.075 490 R HA -0.181 4.162 4.340 0.004 0.000 0.232 490 R C 2.479 178.798 176.300 0.032 0.000 1.126 490 R CA 1.361 57.491 56.100 0.050 0.000 0.963 490 R CB -0.098 30.233 30.300 0.051 0.000 0.858 490 R HN 0.177 nan 8.270 nan 0.000 0.435 491 R N 0.512 121.032 120.500 0.033 0.000 2.070 491 R HA -0.138 4.205 4.340 0.004 0.000 0.233 491 R C 1.937 178.247 176.300 0.017 0.000 1.137 491 R CA 2.080 58.193 56.100 0.022 0.000 0.945 491 R CB -0.073 30.241 30.300 0.022 0.000 0.845 491 R HN 0.314 nan 8.270 nan 0.000 0.430 492 E N -1.005 119.210 120.200 0.025 0.000 2.118 492 E HA -0.147 4.206 4.350 0.004 0.000 0.195 492 E C 1.842 178.441 176.600 -0.001 0.000 0.992 492 E CA 1.124 57.538 56.400 0.022 0.000 0.804 492 E CB -0.196 29.533 29.700 0.048 0.000 0.741 492 E HN 0.572 nan 8.360 nan 0.000 0.458 493 G N 1.569 110.368 108.800 -0.001 0.000 2.459 493 G HA2 -0.306 3.656 3.960 0.004 0.000 0.217 493 G HA3 -0.306 3.656 3.960 0.004 0.000 0.217 493 G C 1.112 175.990 174.900 -0.037 0.000 1.183 493 G CA 1.146 46.228 45.100 -0.029 0.000 0.776 493 G HN 0.133 nan 8.290 nan 0.000 0.552 494 D N 0.782 121.173 120.400 -0.014 0.000 2.116 494 D HA -0.105 4.537 4.640 0.004 0.000 0.193 494 D C 2.459 178.746 176.300 -0.022 0.000 0.998 494 D CA 1.240 55.232 54.000 -0.013 0.000 0.836 494 D CB -0.310 40.489 40.800 -0.001 0.000 0.951 494 D HN 0.511 nan 8.370 nan 0.000 0.449 495 E N 0.024 120.213 120.200 -0.019 0.000 2.106 495 E HA -0.085 4.268 4.350 0.004 0.000 0.192 495 E C 2.442 179.020 176.600 -0.037 0.000 0.984 495 E CA 0.343 56.731 56.400 -0.019 0.000 0.806 495 E CB -0.071 29.624 29.700 -0.008 0.000 0.750 495 E HN 0.286 nan 8.360 nan 0.000 0.458 496 L N 1.055 122.242 121.223 -0.061 0.000 2.056 496 L HA -0.132 4.211 4.340 0.004 0.000 0.207 496 L C 2.690 179.486 176.870 -0.122 0.000 1.078 496 L CA 0.895 55.671 54.840 -0.106 0.000 0.749 496 L CB -0.498 41.452 42.059 -0.182 0.000 0.901 496 L HN 0.249 nan 8.230 nan 0.000 0.433 497 I N -3.020 117.486 120.570 -0.108 0.000 2.676 497 I HA -0.065 4.108 4.170 0.004 0.000 0.259 497 I C 2.412 178.495 176.117 -0.058 0.000 1.194 497 I CA 1.149 62.393 61.300 -0.094 0.000 1.473 497 I CB -0.412 37.542 38.000 -0.076 0.000 1.096 497 I HN 0.042 nan 8.210 nan 0.000 0.443 498 A N 1.304 124.098 122.820 -0.044 0.000 1.970 498 A HA 0.325 4.648 4.320 0.004 0.000 0.216 498 A C 2.459 180.028 177.584 -0.026 0.000 1.170 498 A CA 1.193 53.214 52.037 -0.027 0.000 0.645 498 A CB -0.563 18.426 19.000 -0.018 0.000 0.816 498 A HN 0.553 nan 8.150 nan 0.000 0.447 499 A N -0.884 121.915 122.820 -0.034 0.000 2.044 499 A HA 0.461 4.783 4.320 0.004 0.000 0.213 499 A C 0.892 178.456 177.584 -0.033 0.000 1.169 499 A CA 0.021 52.042 52.037 -0.027 0.000 0.724 499 A CB -0.190 18.796 19.000 -0.023 0.000 0.840 499 A HN 0.384 nan 8.150 nan 0.000 0.463 500 L N 1.715 122.902 121.223 -0.060 0.000 2.350 500 L HA 0.307 4.650 4.340 0.004 0.000 0.275 500 L C -1.993 174.850 176.870 -0.044 0.000 1.099 500 L CA -2.192 52.602 54.840 -0.075 0.000 0.808 500 L CB 1.070 43.040 42.059 -0.148 0.000 1.149 500 L HN 0.138 nan 8.230 nan 0.000 0.442 501 P HA 0.080 nan 4.420 nan 0.000 0.274 501 P C -0.573 176.737 177.300 0.018 0.000 1.256 501 P CA -0.529 62.588 63.100 0.029 0.000 0.795 501 P CB 0.750 32.506 31.700 0.094 0.000 1.038 502 S N -0.449 115.284 115.700 0.056 0.000 2.596 502 S HA -0.003 4.470 4.470 0.004 0.000 0.260 502 S C 1.581 176.245 174.600 0.107 0.000 1.336 502 S CA -0.176 58.063 58.200 0.066 0.000 0.993 502 S CB -0.334 62.922 63.200 0.093 0.000 0.923 502 S HN 0.724 nan 8.310 nan 0.000 0.567 503 C N 1.317 120.685 119.300 0.113 0.000 2.413 503 C HA -0.108 4.355 4.460 0.004 0.000 0.277 503 C C 2.330 177.483 174.990 0.271 0.000 1.228 503 C CA 1.424 60.553 59.018 0.184 0.000 1.731 503 C CB -1.890 25.950 27.740 0.168 0.000 2.042 503 C HN 0.953 nan 8.230 nan 0.000 0.468 504 Y N 1.449 121.833 120.300 0.141 0.000 2.128 504 Y HA -0.153 4.400 4.550 0.004 0.000 0.284 504 Y C 2.408 178.413 175.900 0.174 0.000 1.154 504 Y CA 2.464 60.657 58.100 0.154 0.000 1.149 504 Y CB -0.527 37.959 38.460 0.042 0.000 0.976 504 Y HN 0.476 nan 8.280 nan 0.000 0.505 505 E N -1.116 119.220 120.200 0.227 0.000 2.049 505 E HA -0.330 4.023 4.350 0.004 0.000 0.198 505 E C 1.975 178.609 176.600 0.056 0.000 1.007 505 E CA 1.840 58.322 56.400 0.138 0.000 0.809 505 E CB -0.550 29.234 29.700 0.140 0.000 0.749 505 E HN 0.638 nan 8.360 nan 0.000 0.450 506 Y N 0.944 121.254 120.300 0.016 0.000 2.181 506 Y HA -0.184 4.369 4.550 0.004 0.000 0.288 506 Y C 1.909 177.800 175.900 -0.014 0.000 1.146 506 Y CA 1.315 59.420 58.100 0.009 0.000 1.164 506 Y CB -0.052 38.419 38.460 0.018 0.000 0.982 506 Y HN -0.023 nan 8.280 nan 0.000 0.515 507 L N -0.595 120.636 121.223 0.013 0.000 2.056 507 L HA -0.200 4.142 4.340 0.004 0.000 0.207 507 L C 2.773 179.423 176.870 -0.367 0.000 1.078 507 L CA 1.098 55.838 54.840 -0.167 0.000 0.749 507 L CB -0.945 41.096 42.059 -0.029 0.000 0.901 507 L HN 0.301 nan 8.230 nan 0.000 0.433 508 A N -0.000 122.632 122.820 -0.313 0.000 1.940 508 A HA -0.238 4.084 4.320 0.004 0.000 0.219 508 A C 2.472 179.925 177.584 -0.218 0.000 1.176 508 A CA 2.023 53.920 52.037 -0.234 0.000 0.631 508 A CB -0.707 18.158 19.000 -0.225 0.000 0.814 508 A HN 0.519 nan 8.150 nan 0.000 0.446 509 S N -0.207 115.332 115.700 -0.268 0.000 2.555 509 S HA 0.027 4.500 4.470 0.004 0.000 0.230 509 S C 1.387 175.796 174.600 -0.319 0.000 0.978 509 S CA 0.955 58.998 58.200 -0.262 0.000 0.934 509 S CB -0.646 62.396 63.200 -0.264 0.000 0.766 509 S HN 0.915 nan 8.310 nan 0.000 0.533 510 I N -3.109 117.224 120.570 -0.395 0.000 4.154 510 I HA 0.322 4.494 4.170 0.004 0.000 0.334 510 I C 0.335 176.267 176.117 -0.308 0.000 1.371 510 I CA -0.757 60.333 61.300 -0.350 0.000 1.110 510 I CB -0.021 37.735 38.000 -0.406 0.000 1.085 510 I HN 0.007 nan 8.210 nan 0.000 0.398 511 Q N 0.000 119.600 119.800 -0.334 0.000 2.315 511 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 511 Q CA 0.000 55.610 55.803 -0.321 0.000 1.022 511 Q CB 0.000 28.547 28.738 -0.318 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481