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 3nta_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKILIIGGVA GGASAAARAR RLSETAEIIX FERGEYVSFA NCGLPYHISG DATA SEQUENCE EIAQRSALVL QTPESFKARF NVEVRVKHEV VAIDRAAKLV TVRRLLDGSE DATA SEQUENCE YQESYDTLLL SPGAAPIVPP IPGVDNPLTH SLRNIPDXDR ILQTIQXNNV DATA SEQUENCE EHATVVGGGF IGLEXXESLH HLGIKTTLLE LADQVXTPVD REXAGFAHQA DATA SEQUENCE IRDQGVDLRL GTALSEVSYQ VQTHVASDAA GEDTAHQHIK GHLSLTLSNG DATA SEQUENCE ELLETDLLIX AIGVRPETQL ARDAGLAIGE LGGIKVNAXX QTSDPAIYAV DATA SEQUENCE GDAVEEQDFV TGQACLVPLA GPANRQGRXA ADNXFGREER YQGTQGTAIC DATA SEQUENCE KVFDLAVGAT GKNEKQLKQA GIAFEKVYVH TASHASYYPG AEVVSFKLLF DATA SEQUENCE DPVKGTIFGA QAVGKDGIDK RIDVXAVAQR AGXTVEQLQH LELSYAPPYG DATA SEQUENCE SAKDVINQAA FVASNIIKGD ATPIHFDQID NLSEDQLLLD VRNPGELQNG DATA SEQUENCE GLEGAVNIPV DELRDRXHEL PKDKEIIIFC QVGLRGNVAY RQLVNNGYRA DATA SEQUENCE RNLIGGYRTY KFAS 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.619 176.600 0.032 0.000 0.988 2 K CA 0.000 56.294 56.287 0.011 0.000 0.838 2 K CB 0.000 32.447 32.500 -0.089 0.000 1.064 3 K N 4.063 124.484 120.400 0.035 0.000 2.253 3 K HA 0.408 4.731 4.320 0.004 0.000 0.277 3 K C -0.891 175.751 176.600 0.070 0.000 1.053 3 K CA -0.394 55.928 56.287 0.059 0.000 0.892 3 K CB 0.527 33.069 32.500 0.069 0.000 1.102 3 K HN 0.489 nan 8.250 nan 0.000 0.469 4 I N 6.154 126.756 120.570 0.054 0.000 2.377 4 I HA 0.291 4.464 4.170 0.004 0.000 0.293 4 I C -0.520 175.632 176.117 0.058 0.000 0.987 4 I CA -0.871 60.451 61.300 0.036 0.000 1.185 4 I CB 1.370 39.368 38.000 -0.003 0.000 1.341 4 I HN 0.414 nan 8.210 nan 0.000 0.455 5 L N 7.277 128.547 121.223 0.079 0.000 2.341 5 L HA 0.615 4.958 4.340 0.004 0.000 0.278 5 L C -0.697 176.216 176.870 0.072 0.000 1.005 5 L CA -0.663 54.254 54.840 0.129 0.000 0.818 5 L CB 2.094 44.307 42.059 0.258 0.000 1.259 5 L HN 0.467 nan 8.230 nan 0.000 0.418 6 I N 4.064 124.693 120.570 0.097 0.000 2.389 6 I HA 0.399 4.571 4.170 0.004 0.000 0.288 6 I C -0.438 175.770 176.117 0.152 0.000 0.999 6 I CA -0.345 60.987 61.300 0.054 0.000 1.129 6 I CB 2.275 40.255 38.000 -0.035 0.000 1.288 6 I HN 0.441 nan 8.210 nan 0.000 0.444 7 I N 5.969 126.587 120.570 0.081 0.000 2.330 7 I HA 0.604 4.777 4.170 0.004 0.000 0.286 7 I C 0.442 176.584 176.117 0.043 0.000 1.025 7 I CA -0.207 61.139 61.300 0.077 0.000 1.197 7 I CB 1.139 39.126 38.000 -0.022 0.000 1.358 7 I HN 0.823 nan 8.210 nan 0.000 0.467 8 G N 3.682 112.523 108.800 0.068 0.000 3.069 8 G HA2 0.061 4.024 3.960 0.004 0.000 0.686 8 G HA3 0.061 4.024 3.960 0.004 0.000 0.686 8 G C -0.136 174.774 174.900 0.017 0.000 1.161 8 G CA -0.464 44.662 45.100 0.044 0.000 0.804 8 G HN 0.950 nan 8.290 nan 0.000 0.608 9 G N 0.288 109.106 108.800 0.030 0.000 4.637 9 G HA2 0.644 4.607 3.960 0.004 0.000 0.294 9 G HA3 0.644 4.607 3.960 0.004 0.000 0.294 9 G C 0.644 175.549 174.900 0.007 0.000 1.215 9 G CA 0.811 45.906 45.100 -0.008 0.000 0.943 9 G HN 1.172 nan 8.290 nan 0.000 0.572 10 V N 0.367 120.258 119.914 -0.039 0.000 5.543 10 V HA 0.546 4.669 4.120 0.004 0.000 0.165 10 V C 2.360 178.395 176.094 -0.099 0.000 1.117 10 V CA 0.780 63.005 62.300 -0.125 0.000 1.362 10 V CB -0.189 31.483 31.823 -0.252 0.000 2.295 10 V HN 0.196 nan 8.190 nan 0.000 0.331 11 A N 0.118 122.866 122.820 -0.120 0.000 1.903 11 A HA 0.179 4.501 4.320 0.004 0.000 0.213 11 A C 2.072 179.622 177.584 -0.056 0.000 1.185 11 A CA 1.701 53.687 52.037 -0.085 0.000 0.628 11 A CB -1.162 17.784 19.000 -0.090 0.000 0.830 11 A HN 0.751 nan 8.150 nan 0.000 0.446 12 G N -0.622 108.146 108.800 -0.055 0.000 2.425 12 G HA2 0.176 4.138 3.960 0.004 0.000 0.213 12 G HA3 0.176 4.138 3.960 0.004 0.000 0.213 12 G C 1.501 176.375 174.900 -0.044 0.000 1.201 12 G CA 1.128 46.199 45.100 -0.047 0.000 0.799 12 G HN 0.630 nan 8.290 nan 0.000 0.534 13 G N 0.924 109.697 108.800 -0.046 0.000 2.395 13 G HA2 0.150 4.112 3.960 0.004 0.000 0.214 13 G HA3 0.150 4.112 3.960 0.004 0.000 0.214 13 G C 2.067 176.921 174.900 -0.078 0.000 1.177 13 G CA 1.441 46.507 45.100 -0.056 0.000 0.794 13 G HN 0.618 nan 8.290 nan 0.000 0.532 14 A N 1.165 123.951 122.820 -0.057 0.000 1.940 14 A HA -0.079 4.244 4.320 0.004 0.000 0.219 14 A C 2.693 180.316 177.584 0.065 0.000 1.176 14 A CA 2.624 54.668 52.037 0.013 0.000 0.631 14 A CB -0.745 18.359 19.000 0.172 0.000 0.814 14 A HN 0.695 nan 8.150 nan 0.000 0.446 15 S N -0.188 115.517 115.700 0.010 0.000 2.406 15 S HA 0.101 4.574 4.470 0.004 0.000 0.228 15 S C 2.058 176.632 174.600 -0.043 0.000 1.020 15 S CA 1.311 59.501 58.200 -0.017 0.000 0.965 15 S CB -0.439 62.748 63.200 -0.021 0.000 0.798 15 S HN 0.851 nan 8.310 nan 0.000 0.488 16 A N 1.548 124.339 122.820 -0.048 0.000 1.929 16 A HA 0.398 4.721 4.320 0.004 0.000 0.216 16 A C 2.531 180.080 177.584 -0.059 0.000 1.176 16 A CA 1.519 53.526 52.037 -0.050 0.000 0.628 16 A CB -1.414 17.554 19.000 -0.054 0.000 0.816 16 A HN 0.872 nan 8.150 nan 0.000 0.444 17 A N -0.036 122.731 122.820 -0.088 0.000 1.877 17 A HA 0.165 4.487 4.320 0.004 0.000 0.216 17 A C 2.492 180.004 177.584 -0.120 0.000 1.186 17 A CA 2.131 54.097 52.037 -0.118 0.000 0.620 17 A CB -0.959 17.877 19.000 -0.274 0.000 0.822 17 A HN 0.972 nan 8.150 nan 0.000 0.443 18 A N -0.407 122.303 122.820 -0.184 0.000 1.872 18 A HA -0.048 4.275 4.320 0.004 0.000 0.214 18 A C 2.151 179.504 177.584 -0.384 0.000 1.187 18 A CA 1.858 53.511 52.037 -0.639 0.000 0.614 18 A CB -0.460 18.027 19.000 -0.855 0.000 0.826 18 A HN 0.460 nan 8.150 nan 0.000 0.442 19 R N 0.394 120.777 120.500 -0.194 0.000 2.103 19 R HA -0.148 4.195 4.340 0.004 0.000 0.242 19 R C 2.022 178.278 176.300 -0.073 0.000 1.142 19 R CA 2.137 58.179 56.100 -0.097 0.000 0.960 19 R CB -0.734 29.533 30.300 -0.055 0.000 0.858 19 R HN 0.411 nan 8.270 nan 0.000 0.439 20 A N -0.175 122.628 122.820 -0.028 0.000 1.968 20 A HA -0.079 4.244 4.320 0.004 0.000 0.217 20 A C 2.141 179.697 177.584 -0.047 0.000 1.169 20 A CA 1.450 53.521 52.037 0.056 0.000 0.638 20 A CB -0.443 18.689 19.000 0.220 0.000 0.812 20 A HN 0.317 nan 8.150 nan 0.000 0.446 21 R N 0.298 120.797 120.500 -0.003 0.000 2.090 21 R HA 0.015 4.358 4.340 0.004 0.000 0.228 21 R C 2.095 178.422 176.300 0.043 0.000 1.110 21 R CA 1.580 57.722 56.100 0.071 0.000 0.973 21 R CB -0.486 29.960 30.300 0.244 0.000 0.869 21 R HN 0.538 nan 8.270 nan 0.000 0.440 22 R N -0.046 120.475 120.500 0.035 0.000 2.115 22 R HA -0.023 4.319 4.340 0.004 0.000 0.230 22 R C 2.221 178.468 176.300 -0.089 0.000 1.111 22 R CA 1.497 57.608 56.100 0.018 0.000 0.976 22 R CB -0.435 29.892 30.300 0.046 0.000 0.870 22 R HN 0.233 nan 8.270 nan 0.000 0.445 23 L N 0.000 121.100 121.223 -0.206 0.000 2.141 23 L HA -0.046 4.297 4.340 0.004 0.000 0.209 23 L C 0.974 177.590 176.870 -0.424 0.000 1.094 23 L CA 0.611 55.228 54.840 -0.372 0.000 0.763 23 L CB -0.052 41.595 42.059 -0.688 0.000 0.908 23 L HN 0.057 nan 8.230 nan 0.000 0.437 24 S N -1.416 114.074 115.700 -0.351 0.000 2.592 24 S HA 0.201 4.673 4.470 0.004 0.000 0.275 24 S C 0.309 174.872 174.600 -0.062 0.000 1.169 24 S CA -0.727 57.342 58.200 -0.218 0.000 0.958 24 S CB 1.400 64.448 63.200 -0.254 0.000 1.095 24 S HN 0.024 nan 8.310 nan 0.000 0.471 25 E N 2.386 122.575 120.200 -0.019 0.000 2.230 25 E HA -0.029 4.324 4.350 0.004 0.000 0.192 25 E C 1.958 178.579 176.600 0.036 0.000 0.987 25 E CA 1.586 57.995 56.400 0.016 0.000 0.841 25 E CB -0.096 29.610 29.700 0.010 0.000 0.783 25 E HN 0.916 nan 8.360 nan 0.000 0.481 26 T N -0.903 113.676 114.554 0.042 0.000 2.904 26 T HA 0.113 4.465 4.350 0.004 0.000 0.267 26 T C 1.158 175.909 174.700 0.085 0.000 1.059 26 T CA 0.590 62.725 62.100 0.059 0.000 1.137 26 T CB -0.098 68.805 68.868 0.059 0.000 0.879 26 T HN 0.068 nan 8.240 nan 0.000 0.467 27 A N 1.343 124.240 122.820 0.128 0.000 2.498 27 A HA 0.329 4.651 4.320 0.004 0.000 0.239 27 A C 0.213 177.860 177.584 0.105 0.000 1.068 27 A CA -0.397 51.733 52.037 0.155 0.000 0.766 27 A CB -0.094 19.078 19.000 0.287 0.000 1.003 27 A HN 0.624 nan 8.150 nan 0.000 0.497 28 E N 1.271 121.520 120.200 0.082 0.000 2.200 28 E HA 0.490 4.843 4.350 0.004 0.000 0.283 28 E C -1.131 175.500 176.600 0.051 0.000 1.015 28 E CA -0.184 56.250 56.400 0.057 0.000 0.819 28 E CB 0.420 30.148 29.700 0.046 0.000 1.081 28 E HN 0.538 nan 8.360 nan 0.000 0.397 29 I N 6.389 126.977 120.570 0.030 0.000 2.418 29 I HA 0.403 4.575 4.170 0.004 0.000 0.287 29 I C -0.266 175.809 176.117 -0.071 0.000 1.008 29 I CA -0.472 60.827 61.300 -0.003 0.000 1.104 29 I CB 1.196 39.202 38.000 0.010 0.000 1.264 29 I HN 0.480 nan 8.210 nan 0.000 0.438 33 E N 2.104 122.414 120.200 0.184 0.000 2.292 33 E HA 0.453 4.806 4.350 0.004 0.000 0.272 33 E C 0.102 176.792 176.600 0.150 0.000 0.881 33 E CA -0.837 55.650 56.400 0.145 0.000 0.754 33 E CB 1.546 31.314 29.700 0.113 0.000 1.201 33 E HN 0.593 nan 8.360 nan 0.000 0.425 34 R N 2.598 123.174 120.500 0.127 0.000 2.161 34 R HA 0.223 4.565 4.340 0.004 0.000 0.213 34 R C 0.771 177.117 176.300 0.078 0.000 1.055 34 R CA 0.643 56.804 56.100 0.102 0.000 0.996 34 R CB -0.134 30.206 30.300 0.068 0.000 0.901 34 R HN 0.362 nan 8.270 nan 0.000 0.456 35 G N 0.697 109.548 108.800 0.084 0.000 2.563 35 G HA2 -0.021 3.942 3.960 0.004 0.000 0.283 35 G HA3 -0.021 3.942 3.960 0.004 0.000 0.283 35 G C 0.020 174.909 174.900 -0.018 0.000 1.309 35 G CA -0.414 44.714 45.100 0.046 0.000 1.022 35 G HN 0.273 nan 8.290 nan 0.000 0.501 36 E N -1.600 118.509 120.200 -0.151 0.000 2.299 36 E HA 0.034 4.386 4.350 0.004 0.000 0.193 36 E C -0.486 175.831 176.600 -0.471 0.000 0.998 36 E CA 0.320 56.487 56.400 -0.388 0.000 0.851 36 E CB 0.112 29.413 29.700 -0.666 0.000 0.795 36 E HN 0.440 nan 8.360 nan 0.000 0.492 37 Y N -0.099 120.230 120.300 0.047 0.000 2.429 37 Y HA 0.357 4.910 4.550 0.005 0.000 0.342 37 Y C -0.040 176.013 175.900 0.255 0.000 1.004 37 Y CA -1.314 56.854 58.100 0.115 0.000 1.075 37 Y CB 1.733 40.218 38.460 0.043 0.000 1.214 37 Y HN -0.221 nan 8.280 nan 0.000 0.455 38 V N -1.346 118.806 119.914 0.396 0.000 2.769 38 V HA 0.688 4.811 4.120 0.004 0.000 0.312 38 V C 0.182 176.488 176.094 0.353 0.000 1.058 38 V CA -1.245 61.262 62.300 0.345 0.000 0.952 38 V CB 1.494 33.453 31.823 0.227 0.000 1.019 38 V HN 0.904 nan 8.190 nan 0.000 0.445 39 S N 1.653 117.492 115.700 0.233 0.000 3.682 39 S HA -0.172 4.300 4.470 0.004 0.000 0.354 39 S C -0.238 174.452 174.600 0.150 0.000 1.034 39 S CA 1.210 59.498 58.200 0.147 0.000 1.084 39 S CB -2.245 61.080 63.200 0.209 0.000 0.903 39 S HN 1.762 nan 8.310 nan 0.000 0.470 40 F N -0.685 119.315 119.950 0.084 0.000 2.371 40 F HA 0.764 5.293 4.527 0.004 0.000 0.329 40 F C 0.450 176.266 175.800 0.026 0.000 1.107 40 F CA -0.909 57.111 58.000 0.033 0.000 1.137 40 F CB 0.722 39.730 39.000 0.013 0.000 1.214 40 F HN 0.105 nan 8.300 nan 0.000 0.536 41 A N 3.257 126.191 122.820 0.190 0.000 3.037 41 A HA 0.211 4.534 4.320 0.004 0.000 0.272 41 A C 0.770 178.462 177.584 0.181 0.000 1.723 41 A CA -0.554 51.544 52.037 0.101 0.000 1.413 41 A CB -1.680 17.373 19.000 0.088 0.000 1.112 41 A HN 0.887 nan 8.150 nan 0.000 0.606 42 N N 0.880 119.633 118.700 0.089 0.000 2.069 42 N HA -0.251 4.491 4.740 0.004 0.000 0.196 42 N C 1.331 176.941 175.510 0.168 0.000 1.024 42 N CA 2.304 55.461 53.050 0.178 0.000 0.869 42 N CB -0.907 37.607 38.487 0.044 0.000 1.035 42 N HN 0.684 nan 8.380 nan 0.000 0.434 43 C N -0.218 119.158 119.300 0.126 0.000 2.419 43 C HA 0.079 4.541 4.460 0.004 0.000 0.283 43 C C 2.570 177.689 174.990 0.215 0.000 1.373 43 C CA 0.380 59.495 59.018 0.161 0.000 1.781 43 C CB -1.652 26.159 27.740 0.117 0.000 1.886 43 C HN 0.617 nan 8.230 nan 0.000 0.520 44 G N 0.349 109.266 108.800 0.196 0.000 2.712 44 G HA2 0.056 4.018 3.960 0.004 0.000 0.212 44 G HA3 0.056 4.018 3.960 0.004 0.000 0.212 44 G C 1.468 176.502 174.900 0.223 0.000 1.142 44 G CA 0.089 45.334 45.100 0.242 0.000 0.789 44 G HN 0.540 nan 8.290 nan 0.000 0.535 45 L N 0.587 121.904 121.223 0.157 0.000 2.046 45 L HA -0.025 4.317 4.340 0.004 0.000 0.208 45 L C -0.016 176.883 176.870 0.049 0.000 1.077 45 L CA 1.032 55.940 54.840 0.113 0.000 0.747 45 L CB -1.140 40.977 42.059 0.096 0.000 0.896 45 L HN 0.117 nan 8.230 nan 0.000 0.432 46 P HA -0.149 nan 4.420 nan 0.000 0.219 46 P C 1.097 178.260 177.300 -0.228 0.000 1.150 46 P CA 1.308 64.290 63.100 -0.197 0.000 0.814 46 P CB -0.045 31.442 31.700 -0.355 0.000 0.787 47 Y N -2.258 118.069 120.300 0.046 0.000 2.509 47 Y HA -0.113 4.440 4.550 0.004 0.000 0.293 47 Y C 2.573 178.510 175.900 0.061 0.000 1.133 47 Y CA 1.086 59.203 58.100 0.029 0.000 1.283 47 Y CB -1.078 37.395 38.460 0.022 0.000 1.001 47 Y HN 0.137 nan 8.280 nan 0.000 0.555 48 H N -0.330 118.805 119.070 0.108 0.000 2.431 48 H HA 0.009 4.568 4.556 0.005 0.000 0.295 48 H C 1.968 177.320 175.328 0.040 0.000 1.038 48 H CA 1.011 57.097 56.048 0.064 0.000 1.360 48 H CB -0.300 29.484 29.762 0.036 0.000 1.433 48 H HN 0.228 nan 8.280 nan 0.000 0.536 49 I N 0.307 120.824 120.570 -0.089 0.000 2.113 49 I HA -0.364 3.809 4.170 0.004 0.000 0.242 49 I C 2.301 178.373 176.117 -0.076 0.000 1.057 49 I CA 2.095 63.328 61.300 -0.111 0.000 1.314 49 I CB -0.432 37.535 38.000 -0.056 0.000 1.022 49 I HN 0.421 nan 8.210 nan 0.000 0.408 50 S N -0.151 115.543 115.700 -0.010 0.000 2.603 50 S HA 0.200 4.673 4.470 0.004 0.000 0.220 50 S C 1.668 176.326 174.600 0.098 0.000 0.967 50 S CA 0.395 58.644 58.200 0.082 0.000 0.920 50 S CB 0.324 63.570 63.200 0.075 0.000 0.773 50 S HN 0.722 nan 8.310 nan 0.000 0.529 51 G N 1.373 110.171 108.800 -0.003 0.000 2.253 51 G HA2 -0.309 3.653 3.960 0.004 0.000 0.251 51 G HA3 -0.309 3.653 3.960 0.004 0.000 0.251 51 G C 0.832 175.770 174.900 0.063 0.000 0.998 51 G CA 0.377 45.494 45.100 0.029 0.000 0.621 51 G HN 0.446 nan 8.290 nan 0.000 0.524 52 E N 0.137 120.354 120.200 0.028 0.000 2.130 52 E HA -0.077 4.276 4.350 0.004 0.000 0.196 52 E C 1.405 178.042 176.600 0.063 0.000 0.998 52 E CA 0.952 57.359 56.400 0.010 0.000 0.806 52 E CB -0.046 29.654 29.700 -0.001 0.000 0.738 52 E HN 0.667 nan 8.360 nan 0.000 0.459 53 I N 1.195 121.851 120.570 0.143 0.000 2.281 53 I HA 0.059 4.231 4.170 0.004 0.000 0.293 53 I C 1.227 177.500 176.117 0.260 0.000 1.085 53 I CA -0.352 61.048 61.300 0.167 0.000 1.257 53 I CB 1.262 39.376 38.000 0.190 0.000 1.430 53 I HN -0.081 nan 8.210 nan 0.000 0.489 54 A N 5.267 128.181 122.820 0.155 0.000 2.014 54 A HA -0.105 4.218 4.320 0.004 0.000 0.218 54 A C 1.220 178.940 177.584 0.227 0.000 1.163 54 A CA 0.927 53.066 52.037 0.170 0.000 0.652 54 A CB -0.064 18.993 19.000 0.095 0.000 0.808 54 A HN 0.730 nan 8.150 nan 0.000 0.449 55 Q N -0.249 119.608 119.800 0.095 0.000 2.372 55 Q HA 0.316 4.659 4.340 0.004 0.000 0.259 55 Q C 0.779 176.629 176.000 -0.250 0.000 0.993 55 Q CA -0.571 55.220 55.803 -0.020 0.000 0.854 55 Q CB 0.916 29.646 28.738 -0.014 0.000 1.231 55 Q HN 0.509 nan 8.270 nan 0.000 0.462 56 R N 2.037 122.320 120.500 -0.362 0.000 2.154 56 R HA -0.192 4.151 4.340 0.004 0.000 0.248 56 R C 1.701 177.818 176.300 -0.304 0.000 1.155 56 R CA 2.062 57.832 56.100 -0.550 0.000 0.979 56 R CB 0.042 30.202 30.300 -0.232 0.000 0.869 56 R HN 0.592 nan 8.270 nan 0.000 0.452 57 S N -0.404 115.195 115.700 -0.169 0.000 2.383 57 S HA -0.054 4.418 4.470 0.004 0.000 0.227 57 S C 1.881 176.427 174.600 -0.091 0.000 1.026 57 S CA 0.933 59.071 58.200 -0.103 0.000 0.981 57 S CB -0.117 63.052 63.200 -0.052 0.000 0.818 57 S HN 0.535 nan 8.310 nan 0.000 0.472 58 A N 1.080 123.844 122.820 -0.093 0.000 2.139 58 A HA 0.004 4.327 4.320 0.004 0.000 0.221 58 A C 1.793 179.341 177.584 -0.059 0.000 1.159 58 A CA 1.182 53.180 52.037 -0.065 0.000 0.662 58 A CB -0.684 18.287 19.000 -0.049 0.000 0.796 58 A HN 0.611 nan 8.150 nan 0.000 0.463 59 L N -0.497 120.665 121.223 -0.101 0.000 2.599 59 L HA 0.092 4.434 4.340 0.004 0.000 0.230 59 L C -0.513 176.356 176.870 -0.001 0.000 1.141 59 L CA -0.140 54.672 54.840 -0.047 0.000 0.877 59 L CB 0.028 42.035 42.059 -0.086 0.000 1.009 59 L HN 0.085 nan 8.230 nan 0.000 0.447 60 V N 0.504 120.407 119.914 -0.019 0.000 2.407 60 V HA 0.215 4.337 4.120 0.004 0.000 0.291 60 V C 0.658 176.782 176.094 0.049 0.000 1.018 60 V CA -0.301 62.020 62.300 0.035 0.000 0.842 60 V CB 2.088 33.915 31.823 0.006 0.000 0.996 60 V HN 0.153 nan 8.190 nan 0.000 0.426 61 L N 1.937 123.204 121.223 0.074 0.000 2.425 61 L HA 0.325 4.667 4.340 0.004 0.000 0.215 61 L C 0.693 177.579 176.870 0.026 0.000 1.065 61 L CA 0.599 55.463 54.840 0.039 0.000 0.842 61 L CB 0.315 42.391 42.059 0.029 0.000 1.033 61 L HN 0.554 nan 8.230 nan 0.000 0.474 62 Q N 0.011 119.851 119.800 0.068 0.000 2.484 62 Q HA 0.474 4.817 4.340 0.004 0.000 0.285 62 Q C -0.578 175.516 176.000 0.157 0.000 1.097 62 Q CA -0.247 55.582 55.803 0.043 0.000 0.802 62 Q CB 2.593 31.289 28.738 -0.069 0.000 1.444 62 Q HN 0.105 nan 8.270 nan 0.000 0.429 63 T N -3.420 111.225 114.554 0.153 0.000 2.907 63 T HA 0.489 4.842 4.350 0.004 0.000 0.290 63 T C -2.163 172.681 174.700 0.240 0.000 1.066 63 T CA -1.974 60.241 62.100 0.191 0.000 1.012 63 T CB 1.737 70.680 68.868 0.124 0.000 1.184 63 T HN 0.084 nan 8.240 nan 0.000 0.522 64 P HA -0.074 nan 4.420 nan 0.000 0.216 64 P C 1.052 178.440 177.300 0.148 0.000 1.153 64 P CA 1.178 64.369 63.100 0.151 0.000 0.858 64 P CB 0.090 31.827 31.700 0.062 0.000 0.789 65 E N -0.943 119.319 120.200 0.104 0.000 2.216 65 E HA -0.089 4.264 4.350 0.004 0.000 0.192 65 E C 2.130 178.774 176.600 0.073 0.000 0.988 65 E CA 1.262 57.704 56.400 0.070 0.000 0.834 65 E CB -0.675 29.051 29.700 0.044 0.000 0.772 65 E HN 0.307 nan 8.360 nan 0.000 0.479 66 S N -0.351 115.396 115.700 0.078 0.000 2.362 66 S HA -0.083 4.390 4.470 0.004 0.000 0.221 66 S C 1.976 176.593 174.600 0.028 0.000 1.032 66 S CA 0.297 58.507 58.200 0.017 0.000 0.973 66 S CB -0.734 62.450 63.200 -0.027 0.000 0.849 66 S HN 0.203 nan 8.310 nan 0.000 0.465 67 F N 2.380 122.394 119.950 0.107 0.000 2.115 67 F HA -0.149 4.381 4.527 0.004 0.000 0.300 67 F C 2.679 178.547 175.800 0.114 0.000 1.092 67 F CA 1.820 59.915 58.000 0.159 0.000 1.245 67 F CB -0.242 38.822 39.000 0.106 0.000 0.995 67 F HN 0.240 nan 8.300 nan 0.000 0.481 68 K N 0.345 120.895 120.400 0.250 0.000 2.002 68 K HA -0.150 4.172 4.320 0.004 0.000 0.209 68 K C 2.108 178.751 176.600 0.072 0.000 1.048 68 K CA 1.455 57.822 56.287 0.134 0.000 0.930 68 K CB -0.478 32.069 32.500 0.078 0.000 0.714 68 K HN 0.153 nan 8.250 nan 0.000 0.438 69 A N 0.612 123.450 122.820 0.030 0.000 1.898 69 A HA -0.120 4.203 4.320 0.004 0.000 0.216 69 A C 2.193 179.722 177.584 -0.091 0.000 1.181 69 A CA 1.711 53.732 52.037 -0.026 0.000 0.620 69 A CB -0.505 18.474 19.000 -0.035 0.000 0.819 69 A HN 0.395 nan 8.150 nan 0.000 0.442 70 R N -2.387 118.019 120.500 -0.157 0.000 2.066 70 R HA 0.074 4.416 4.340 0.004 0.000 0.224 70 R C 0.718 176.709 176.300 -0.515 0.000 1.122 70 R CA 1.383 57.230 56.100 -0.422 0.000 0.974 70 R CB -0.124 29.797 30.300 -0.632 0.000 0.871 70 R HN 0.407 nan 8.270 nan 0.000 0.435 71 F N 0.248 120.224 119.950 0.042 0.000 2.706 71 F HA 0.288 4.818 4.527 0.004 0.000 0.313 71 F C 0.472 176.328 175.800 0.093 0.000 1.096 71 F CA -0.374 57.678 58.000 0.087 0.000 1.219 71 F CB 0.319 39.434 39.000 0.192 0.000 1.051 71 F HN 0.098 nan 8.300 nan 0.000 0.568 72 N N 0.387 119.195 118.700 0.179 0.000 2.690 72 N HA -0.207 4.536 4.740 0.004 0.000 0.249 72 N C -0.572 175.013 175.510 0.126 0.000 1.125 72 N CA 0.669 53.793 53.050 0.123 0.000 0.794 72 N CB -1.215 37.321 38.487 0.082 0.000 1.152 72 N HN -0.002 nan 8.380 nan 0.000 0.571 73 V N 1.171 121.199 119.914 0.190 0.000 2.508 73 V HA 0.084 4.207 4.120 0.004 0.000 0.281 73 V C 0.930 177.028 176.094 0.006 0.000 1.041 73 V CA -0.208 62.137 62.300 0.076 0.000 1.016 73 V CB 1.375 33.215 31.823 0.027 0.000 0.984 73 V HN 0.190 nan 8.190 nan 0.000 0.478 74 E N 4.352 124.511 120.200 -0.068 0.000 2.105 74 E HA 0.307 4.660 4.350 0.004 0.000 0.285 74 E C -1.213 175.259 176.600 -0.212 0.000 1.055 74 E CA -0.295 56.041 56.400 -0.107 0.000 0.843 74 E CB 1.338 30.974 29.700 -0.108 0.000 1.067 74 E HN 0.505 nan 8.360 nan 0.000 0.398 75 V N 6.002 125.806 119.914 -0.183 0.000 2.398 75 V HA 0.348 4.471 4.120 0.004 0.000 0.286 75 V C 0.004 175.964 176.094 -0.223 0.000 1.026 75 V CA -0.551 61.608 62.300 -0.235 0.000 0.868 75 V CB 1.494 33.209 31.823 -0.180 0.000 0.982 75 V HN 0.604 nan 8.190 nan 0.000 0.443 76 R N 3.589 123.909 120.500 -0.301 0.000 2.320 76 R HA 0.537 4.879 4.340 0.004 0.000 0.319 76 R C -0.501 175.717 176.300 -0.136 0.000 0.969 76 R CA -0.485 55.405 56.100 -0.350 0.000 0.857 76 R CB 1.746 31.628 30.300 -0.696 0.000 1.160 76 R HN 0.685 nan 8.270 nan 0.000 0.491 77 V N -0.188 119.699 119.914 -0.044 0.000 2.953 77 V HA 0.289 4.411 4.120 0.004 0.000 0.304 77 V C 0.477 176.667 176.094 0.161 0.000 1.073 77 V CA -0.828 61.501 62.300 0.047 0.000 1.064 77 V CB 0.998 32.817 31.823 -0.007 0.000 1.047 77 V HN 0.826 nan 8.190 nan 0.000 0.478 78 K N 0.312 120.794 120.400 0.136 0.000 3.069 78 K HA -0.196 4.127 4.320 0.004 0.000 0.267 78 K C -0.164 176.581 176.600 0.242 0.000 1.082 78 K CA 1.340 57.715 56.287 0.146 0.000 0.782 78 K CB -1.812 30.738 32.500 0.083 0.000 1.230 78 K HN 0.958 nan 8.250 nan 0.000 0.488 79 H N 0.415 119.553 119.070 0.113 0.000 2.708 79 H HA 0.209 4.767 4.556 0.004 0.000 0.320 79 H C -0.628 174.769 175.328 0.115 0.000 0.991 79 H CA -0.650 55.498 56.048 0.168 0.000 1.243 79 H CB 1.500 31.463 29.762 0.335 0.000 1.446 79 H HN 0.204 nan 8.280 nan 0.000 0.502 80 E N 3.877 124.125 120.200 0.079 0.000 2.133 80 E HA 0.241 4.593 4.350 0.004 0.000 0.274 80 E C -0.755 175.775 176.600 -0.117 0.000 0.930 80 E CA -0.824 55.574 56.400 -0.003 0.000 0.770 80 E CB 1.405 31.095 29.700 -0.015 0.000 1.104 80 E HN 0.270 nan 8.360 nan 0.000 0.403 81 V N 5.571 125.370 119.914 -0.191 0.000 2.521 81 V HA -0.004 4.119 4.120 0.004 0.000 0.286 81 V C 1.074 177.061 176.094 -0.178 0.000 1.034 81 V CA 0.216 62.344 62.300 -0.285 0.000 1.045 81 V CB 1.009 32.626 31.823 -0.343 0.000 0.974 81 V HN 0.722 nan 8.190 nan 0.000 0.480 82 V N 1.789 121.600 119.914 -0.172 0.000 3.556 82 V HA 0.805 4.927 4.120 0.004 0.000 0.287 82 V C 0.450 176.483 176.094 -0.101 0.000 1.422 82 V CA 0.503 62.734 62.300 -0.115 0.000 1.038 82 V CB -0.036 31.726 31.823 -0.102 0.000 0.850 82 V HN 0.965 nan 8.190 nan 0.000 0.437 83 A N 0.274 123.025 122.820 -0.116 0.000 2.594 83 A HA 0.802 5.125 4.320 0.004 0.000 0.296 83 A C -1.424 176.108 177.584 -0.087 0.000 1.056 83 A CA -0.508 51.478 52.037 -0.085 0.000 0.693 83 A CB 1.209 20.169 19.000 -0.066 0.000 1.278 83 A HN 0.268 nan 8.150 nan 0.000 0.408 84 I N 2.041 122.578 120.570 -0.055 0.000 2.382 84 I HA 0.307 4.480 4.170 0.004 0.000 0.286 84 I C -1.051 175.081 176.117 0.025 0.000 1.002 84 I CA -0.476 60.815 61.300 -0.016 0.000 1.135 84 I CB 1.830 39.806 38.000 -0.040 0.000 1.288 84 I HN 0.481 nan 8.210 nan 0.000 0.448 85 D N 7.443 127.880 120.400 0.062 0.000 2.467 85 D HA 0.224 4.867 4.640 0.004 0.000 0.220 85 D C 0.942 177.286 176.300 0.074 0.000 1.103 85 D CA -0.353 53.673 54.000 0.044 0.000 0.886 85 D CB 1.456 42.267 40.800 0.017 0.000 1.025 85 D HN 0.474 nan 8.370 nan 0.000 0.514 86 R N 1.324 121.865 120.500 0.069 0.000 2.092 86 R HA -0.074 4.269 4.340 0.004 0.000 0.231 86 R C 1.919 178.237 176.300 0.030 0.000 1.119 86 R CA 0.876 57.032 56.100 0.092 0.000 0.970 86 R CB 0.050 30.390 30.300 0.068 0.000 0.864 86 R HN 0.328 nan 8.270 nan 0.000 0.440 87 A N 1.275 124.097 122.820 0.004 0.000 1.898 87 A HA -0.016 4.307 4.320 0.004 0.000 0.216 87 A C 2.296 179.854 177.584 -0.043 0.000 1.181 87 A CA 1.490 53.517 52.037 -0.017 0.000 0.620 87 A CB -0.378 18.614 19.000 -0.013 0.000 0.819 87 A HN 0.356 nan 8.150 nan 0.000 0.442 88 A N -0.916 121.877 122.820 -0.045 0.000 2.067 88 A HA 0.140 4.463 4.320 0.004 0.000 0.217 88 A C 1.022 178.517 177.584 -0.149 0.000 1.156 88 A CA 0.975 52.970 52.037 -0.070 0.000 0.683 88 A CB -0.408 18.568 19.000 -0.040 0.000 0.808 88 A HN 0.507 nan 8.150 nan 0.000 0.455 89 K N -1.736 118.530 120.400 -0.223 0.000 3.393 89 K HA -0.159 4.164 4.320 0.004 0.000 0.272 89 K C -1.319 174.969 176.600 -0.520 0.000 1.004 89 K CA 0.415 56.303 56.287 -0.665 0.000 0.764 89 K CB -1.710 30.293 32.500 -0.829 0.000 1.373 89 K HN 0.286 nan 8.250 nan 0.000 0.458 90 L N 0.185 121.365 121.223 -0.072 0.000 2.422 90 L HA 0.549 4.892 4.340 0.004 0.000 0.264 90 L C -0.476 176.502 176.870 0.179 0.000 0.984 90 L CA -0.987 53.898 54.840 0.074 0.000 0.819 90 L CB 2.172 44.239 42.059 0.013 0.000 1.330 90 L HN 0.106 nan 8.230 nan 0.000 0.410 91 V N -1.106 118.890 119.914 0.138 0.000 2.628 91 V HA 0.805 4.928 4.120 0.004 0.000 0.306 91 V C -0.174 175.845 176.094 -0.124 0.000 1.045 91 V CA -0.337 61.955 62.300 -0.014 0.000 0.905 91 V CB 1.785 33.541 31.823 -0.112 0.000 0.997 91 V HN 0.762 nan 8.190 nan 0.000 0.436 92 T N 4.390 118.844 114.554 -0.167 0.000 2.799 92 T HA 0.675 5.027 4.350 0.004 0.000 0.286 92 T C -0.199 174.297 174.700 -0.341 0.000 0.973 92 T CA -0.250 61.715 62.100 -0.225 0.000 1.035 92 T CB 1.267 70.049 68.868 -0.142 0.000 0.932 92 T HN 0.777 nan 8.240 nan 0.000 0.469 93 V N 3.432 123.033 119.914 -0.523 0.000 2.769 93 V HA 0.612 4.734 4.120 0.004 0.000 0.312 93 V C 0.037 175.881 176.094 -0.416 0.000 1.061 93 V CA -1.193 60.791 62.300 -0.526 0.000 0.931 93 V CB 2.088 33.521 31.823 -0.651 0.000 1.010 93 V HN 0.756 nan 8.190 nan 0.000 0.433 94 R N 2.651 123.008 120.500 -0.239 0.000 2.514 94 R HA 0.555 4.897 4.340 0.004 0.000 0.301 94 R C -0.560 175.640 176.300 -0.167 0.000 0.962 94 R CA -0.739 55.266 56.100 -0.158 0.000 0.882 94 R CB 1.243 31.479 30.300 -0.106 0.000 1.143 94 R HN 0.704 nan 8.270 nan 0.000 0.452 95 R N 5.405 125.807 120.500 -0.164 0.000 2.205 95 R HA 0.152 4.495 4.340 0.004 0.000 0.342 95 R C 0.887 177.119 176.300 -0.113 0.000 1.058 95 R CA -0.227 55.720 56.100 -0.256 0.000 0.904 95 R CB 0.703 30.873 30.300 -0.216 0.000 1.089 95 R HN 0.668 nan 8.270 nan 0.000 0.471 96 L N 3.247 124.426 121.223 -0.073 0.000 2.261 96 L HA -0.227 4.116 4.340 0.004 0.000 0.216 96 L C 2.364 179.221 176.870 -0.020 0.000 1.114 96 L CA 1.102 55.924 54.840 -0.030 0.000 0.777 96 L CB -0.496 41.558 42.059 -0.008 0.000 0.910 96 L HN 0.623 nan 8.230 nan 0.000 0.440 97 L N 0.509 121.722 121.223 -0.018 0.000 2.046 97 L HA -0.205 4.138 4.340 0.004 0.000 0.208 97 L C 1.505 178.370 176.870 -0.008 0.000 1.077 97 L CA 2.357 57.193 54.840 -0.006 0.000 0.747 97 L CB -0.206 41.857 42.059 0.006 0.000 0.896 97 L HN 0.424 nan 8.230 nan 0.000 0.432 98 D N -2.551 117.841 120.400 -0.014 0.000 2.516 98 D HA 0.199 4.842 4.640 0.004 0.000 0.241 98 D C 1.339 177.633 176.300 -0.011 0.000 1.246 98 D CA 0.357 54.352 54.000 -0.009 0.000 0.808 98 D CB 0.133 40.931 40.800 -0.003 0.000 1.147 98 D HN 0.370 nan 8.370 nan 0.000 0.527 99 G N 0.841 109.629 108.800 -0.020 0.000 2.162 99 G HA2 -0.295 3.668 3.960 0.004 0.000 0.260 99 G HA3 -0.295 3.668 3.960 0.004 0.000 0.260 99 G C 0.469 175.359 174.900 -0.017 0.000 0.976 99 G CA 0.552 45.639 45.100 -0.021 0.000 0.655 99 G HN 0.945 nan 8.290 nan 0.000 0.533 100 S N -0.529 115.167 115.700 -0.006 0.000 2.593 100 S HA 0.628 5.100 4.470 0.004 0.000 0.269 100 S C 0.031 174.644 174.600 0.021 0.000 1.334 100 S CA 0.070 58.278 58.200 0.014 0.000 1.015 100 S CB 2.010 65.232 63.200 0.035 0.000 0.912 100 S HN 0.500 nan 8.310 nan 0.000 0.541 101 E N 0.350 120.572 120.200 0.036 0.000 2.263 101 E HA 0.643 4.996 4.350 0.004 0.000 0.264 101 E C -1.249 175.424 176.600 0.123 0.000 0.923 101 E CA -0.857 55.549 56.400 0.009 0.000 0.802 101 E CB 1.747 31.418 29.700 -0.049 0.000 1.228 101 E HN 0.804 nan 8.360 nan 0.000 0.417 102 Y N -1.930 118.372 120.300 0.003 0.000 2.705 102 Y HA 0.462 5.014 4.550 0.004 0.000 0.332 102 Y C -1.142 174.777 175.900 0.032 0.000 1.221 102 Y CA -1.157 56.960 58.100 0.027 0.000 1.059 102 Y CB 1.080 39.574 38.460 0.056 0.000 1.298 102 Y HN 0.269 nan 8.280 nan 0.000 0.459 103 Q N 0.771 120.660 119.800 0.149 0.000 2.301 103 Q HA 0.517 4.860 4.340 0.004 0.000 0.267 103 Q C -1.576 174.556 176.000 0.220 0.000 1.035 103 Q CA -1.097 54.746 55.803 0.065 0.000 0.856 103 Q CB 2.703 31.472 28.738 0.052 0.000 1.337 103 Q HN 0.676 nan 8.270 nan 0.000 0.450 104 E N 0.480 120.779 120.200 0.165 0.000 2.272 104 E HA 0.279 4.632 4.350 0.004 0.000 0.269 104 E C -1.415 175.302 176.600 0.195 0.000 0.877 104 E CA -0.446 56.103 56.400 0.248 0.000 0.755 104 E CB 1.633 31.570 29.700 0.396 0.000 1.192 104 E HN 0.575 nan 8.360 nan 0.000 0.422 105 S N 2.663 118.455 115.700 0.155 0.000 2.610 105 S HA 0.625 5.098 4.470 0.004 0.000 0.273 105 S C -0.566 174.137 174.600 0.171 0.000 1.274 105 S CA -0.557 57.693 58.200 0.084 0.000 1.023 105 S CB 0.354 63.560 63.200 0.010 0.000 0.962 105 S HN 0.511 nan 8.310 nan 0.000 0.523 106 Y N -1.375 118.952 120.300 0.045 0.000 2.545 106 Y HA 0.636 5.188 4.550 0.005 0.000 0.348 106 Y C -0.027 175.886 175.900 0.022 0.000 1.002 106 Y CA -1.305 56.820 58.100 0.041 0.000 1.039 106 Y CB 0.771 39.259 38.460 0.046 0.000 1.271 106 Y HN 0.434 nan 8.280 nan 0.000 0.467 107 D N 1.031 121.517 120.400 0.143 0.000 2.201 107 D HA 0.091 4.733 4.640 0.004 0.000 0.209 107 D C -0.153 176.281 176.300 0.224 0.000 0.961 107 D CA 1.405 55.454 54.000 0.081 0.000 0.861 107 D CB 0.390 41.208 40.800 0.030 0.000 0.997 107 D HN 0.689 nan 8.370 nan 0.000 0.486 108 T N 0.200 114.928 114.554 0.289 0.000 2.894 108 T HA 0.485 4.838 4.350 0.004 0.000 0.309 108 T C -1.234 173.527 174.700 0.102 0.000 1.208 108 T CA -0.658 61.585 62.100 0.239 0.000 1.016 108 T CB 2.533 71.444 68.868 0.072 0.000 1.192 108 T HN -0.144 nan 8.240 nan 0.000 0.491 109 L N 2.341 123.534 121.223 -0.051 0.000 2.381 109 L HA 0.870 5.213 4.340 0.004 0.000 0.268 109 L C -1.794 175.043 176.870 -0.056 0.000 0.997 109 L CA -1.001 53.703 54.840 -0.228 0.000 0.818 109 L CB 1.773 43.450 42.059 -0.637 0.000 1.310 109 L HN 0.648 nan 8.230 nan 0.000 0.416 110 L N 5.016 126.211 121.223 -0.047 0.000 2.333 110 L HA 0.594 4.937 4.340 0.004 0.000 0.280 110 L C -1.473 175.381 176.870 -0.028 0.000 1.004 110 L CA -0.226 54.613 54.840 -0.001 0.000 0.820 110 L CB 1.448 43.499 42.059 -0.013 0.000 1.247 110 L HN 0.539 nan 8.230 nan 0.000 0.416 111 L N 4.406 125.615 121.223 -0.022 0.000 2.275 111 L HA 0.501 4.844 4.340 0.004 0.000 0.288 111 L C 0.320 177.177 176.870 -0.022 0.000 1.046 111 L CA -0.252 54.567 54.840 -0.036 0.000 0.805 111 L CB 1.466 43.498 42.059 -0.044 0.000 1.193 111 L HN 0.730 nan 8.230 nan 0.000 0.426 112 S N 3.398 119.086 115.700 -0.020 0.000 2.512 112 S HA 0.311 4.783 4.470 0.004 0.000 0.161 112 S C -1.714 172.880 174.600 -0.010 0.000 1.383 112 S CA -0.636 57.553 58.200 -0.019 0.000 1.248 112 S CB 0.488 63.675 63.200 -0.023 0.000 1.488 112 S HN 0.509 nan 8.310 nan 0.000 0.382 113 P HA 0.290 nan 4.420 nan 0.000 0.245 113 P C 1.075 178.380 177.300 0.009 0.000 1.203 113 P CA 0.678 63.779 63.100 0.002 0.000 0.792 113 P CB 0.077 31.772 31.700 -0.008 0.000 0.997 114 G N 0.794 109.595 108.800 0.001 0.000 2.512 114 G HA2 0.071 4.034 3.960 0.004 0.000 0.254 114 G HA3 0.071 4.034 3.960 0.004 0.000 0.254 114 G C -0.611 174.296 174.900 0.010 0.000 1.199 114 G CA -0.175 44.929 45.100 0.007 0.000 0.941 114 G HN 0.621 nan 8.290 nan 0.000 0.569 115 A N -1.293 121.539 122.820 0.020 0.000 2.517 115 A HA 0.988 5.310 4.320 0.004 0.000 0.297 115 A C -0.073 177.523 177.584 0.020 0.000 1.050 115 A CA 0.691 52.737 52.037 0.015 0.000 0.694 115 A CB 1.138 20.148 19.000 0.016 0.000 1.277 115 A HN 2.581 nan 8.150 nan 0.000 0.400 116 A N 2.715 125.543 122.820 0.013 0.000 2.312 116 A HA 0.892 5.215 4.320 0.004 0.000 0.328 116 A C -2.787 174.799 177.584 0.003 0.000 1.158 116 A CA -1.872 50.173 52.037 0.014 0.000 0.821 116 A CB 0.276 19.282 19.000 0.010 0.000 1.170 116 A HN 0.511 nan 8.150 nan 0.000 0.490 117 P HA 0.156 nan 4.420 nan 0.000 0.269 117 P C -0.518 176.773 177.300 -0.014 0.000 1.215 117 P CA 0.086 63.177 63.100 -0.014 0.000 0.780 117 P CB 0.353 32.045 31.700 -0.014 0.000 0.898 118 I N 1.826 122.383 120.570 -0.021 0.000 2.533 118 I HA 0.013 4.186 4.170 0.004 0.000 0.284 118 I C 0.006 176.112 176.117 -0.018 0.000 1.109 118 I CA -0.232 61.057 61.300 -0.018 0.000 1.412 118 I CB 0.591 38.578 38.000 -0.021 0.000 1.396 118 I HN 0.009 nan 8.210 nan 0.000 0.543 119 V N 8.868 128.772 119.914 -0.015 0.000 2.408 119 V HA 0.239 4.362 4.120 0.004 0.000 0.267 119 V C -1.717 174.367 176.094 -0.017 0.000 1.047 119 V CA -1.192 61.098 62.300 -0.016 0.000 0.937 119 V CB 0.251 32.066 31.823 -0.014 0.000 0.999 119 V HN 0.638 nan 8.190 nan 0.000 0.472 120 P HA 0.410 nan 4.420 nan 0.000 0.292 120 P C -2.603 174.687 177.300 -0.016 0.000 1.283 120 P CA -2.075 61.014 63.100 -0.018 0.000 0.835 120 P CB 1.533 33.221 31.700 -0.020 0.000 1.017 121 P HA 0.263 nan 4.420 nan 0.000 0.225 121 P C -0.217 177.076 177.300 -0.012 0.000 1.768 121 P CA 0.054 63.147 63.100 -0.012 0.000 0.943 121 P CB -0.263 31.431 31.700 -0.010 0.000 1.936 122 I N 2.710 123.272 120.570 -0.014 0.000 2.315 122 I HA 0.241 4.414 4.170 0.004 0.000 0.291 122 I C -1.981 174.130 176.117 -0.011 0.000 1.006 122 I CA -2.787 58.505 61.300 -0.013 0.000 1.265 122 I CB 1.245 39.236 38.000 -0.016 0.000 1.387 122 I HN -0.086 nan 8.210 nan 0.000 0.475 123 P HA 0.092 nan 4.420 nan 0.000 0.265 123 P C 0.749 178.048 177.300 -0.002 0.000 1.193 123 P CA 0.424 63.522 63.100 -0.004 0.000 0.765 123 P CB 0.607 32.307 31.700 -0.001 0.000 0.823 124 G N 1.571 110.371 108.800 -0.001 0.000 2.159 124 G HA2 -0.305 3.658 3.960 0.004 0.000 0.256 124 G HA3 -0.305 3.658 3.960 0.004 0.000 0.256 124 G C 0.925 175.819 174.900 -0.011 0.000 0.977 124 G CA 0.143 45.247 45.100 0.007 0.000 0.652 124 G HN 0.521 nan 8.290 nan 0.000 0.531 125 V N 0.879 120.779 119.914 -0.024 0.000 2.343 125 V HA 0.008 4.130 4.120 0.004 0.000 0.247 125 V C 1.409 177.462 176.094 -0.069 0.000 1.051 125 V CA 2.399 64.674 62.300 -0.043 0.000 1.036 125 V CB -0.143 31.657 31.823 -0.038 0.000 0.654 125 V HN 0.525 nan 8.190 nan 0.000 0.451 126 D N 1.499 121.862 120.400 -0.060 0.000 2.348 126 D HA 0.205 4.848 4.640 0.004 0.000 0.259 126 D C -0.357 175.872 176.300 -0.118 0.000 1.296 126 D CA 0.330 54.284 54.000 -0.077 0.000 0.931 126 D CB -0.578 40.194 40.800 -0.048 0.000 1.067 126 D HN 0.884 nan 8.370 nan 0.000 0.503 127 N N 1.248 119.832 118.700 -0.194 0.000 2.961 127 N HA 0.370 5.113 4.740 0.004 0.000 0.245 127 N C -2.696 172.565 175.510 -0.414 0.000 1.404 127 N CA -1.118 51.722 53.050 -0.349 0.000 0.880 127 N CB 0.946 39.207 38.487 -0.377 0.000 1.461 127 N HN -0.147 nan 8.380 nan 0.000 0.510 128 P HA 0.048 nan 4.420 nan 0.000 0.230 128 P C 0.243 177.374 177.300 -0.281 0.000 1.158 128 P CA 0.567 63.469 63.100 -0.331 0.000 0.769 128 P CB 0.198 31.738 31.700 -0.266 0.000 0.807 129 L N -1.608 119.399 121.223 -0.361 0.000 2.667 129 L HA 0.224 4.567 4.340 0.004 0.000 0.232 129 L C 0.350 176.939 176.870 -0.469 0.000 1.138 129 L CA 0.623 55.293 54.840 -0.282 0.000 0.921 129 L CB -1.060 40.946 42.059 -0.088 0.000 1.180 129 L HN -0.171 nan 8.230 nan 0.000 0.487 130 T N 0.477 114.642 114.554 -0.647 0.000 2.812 130 T HA 0.621 4.973 4.350 0.004 0.000 0.282 130 T C -0.624 173.687 174.700 -0.648 0.000 0.990 130 T CA -0.385 61.422 62.100 -0.487 0.000 0.960 130 T CB 1.616 70.334 68.868 -0.250 0.000 0.948 130 T HN 0.044 nan 8.240 nan 0.000 0.438 131 H N 0.481 119.523 119.070 -0.046 0.000 2.930 131 H HA 0.576 5.134 4.556 0.004 0.000 0.371 131 H C -0.669 174.636 175.328 -0.039 0.000 1.169 131 H CA -0.667 55.357 56.048 -0.040 0.000 1.157 131 H CB 2.083 31.823 29.762 -0.035 0.000 1.789 131 H HN 0.453 nan 8.280 nan 0.000 0.547 132 S N 0.834 116.590 115.700 0.094 0.000 2.681 132 S HA 0.524 4.997 4.470 0.004 0.000 0.299 132 S C -0.710 173.908 174.600 0.031 0.000 1.113 132 S CA -0.691 57.531 58.200 0.036 0.000 1.013 132 S CB 1.418 64.626 63.200 0.012 0.000 1.076 132 S HN 0.405 nan 8.310 nan 0.000 0.534 133 L N 2.710 123.936 121.223 0.005 0.000 2.372 133 L HA 0.616 4.958 4.340 0.004 0.000 0.273 133 L C 0.287 177.168 176.870 0.018 0.000 0.989 133 L CA 0.035 54.878 54.840 0.005 0.000 0.841 133 L CB 1.100 43.152 42.059 -0.011 0.000 1.225 133 L HN 0.753 nan 8.230 nan 0.000 0.414 134 R N 2.465 122.991 120.500 0.043 0.000 2.444 134 R HA 0.306 4.649 4.340 0.004 0.000 0.201 134 R C -0.317 176.082 176.300 0.165 0.000 0.861 134 R CA 0.510 56.663 56.100 0.088 0.000 1.034 134 R CB 0.498 30.846 30.300 0.081 0.000 1.347 134 R HN 0.829 nan 8.270 nan 0.000 0.659 135 N N -1.485 117.270 118.700 0.093 0.000 3.157 135 N HA 0.164 4.907 4.740 0.004 0.000 0.291 135 N C 0.496 175.926 175.510 -0.133 0.000 1.515 135 N CA -0.672 52.385 53.050 0.011 0.000 0.807 135 N CB 0.160 38.642 38.487 -0.009 0.000 1.672 135 N HN -0.104 nan 8.380 nan 0.000 0.592 136 I N -0.442 119.919 120.570 -0.349 0.000 2.286 136 I HA -0.014 4.159 4.170 0.004 0.000 0.245 136 I C -0.909 175.138 176.117 -0.116 0.000 1.104 136 I CA 0.841 61.993 61.300 -0.246 0.000 1.397 136 I CB -0.930 36.819 38.000 -0.418 0.000 1.072 136 I HN 0.482 nan 8.210 nan 0.000 0.417 137 P HA -0.089 nan 4.420 nan 0.000 0.218 137 P C 0.285 177.549 177.300 -0.059 0.000 1.148 137 P CA 1.210 64.287 63.100 -0.040 0.000 0.822 137 P CB -0.194 31.495 31.700 -0.018 0.000 0.784 141 R N 1.400 121.806 120.500 -0.157 0.000 2.066 141 R HA 0.086 4.429 4.340 0.004 0.000 0.232 141 R C 2.382 178.434 176.300 -0.414 0.000 1.131 141 R CA 1.101 57.036 56.100 -0.276 0.000 0.955 141 R CB -0.150 29.946 30.300 -0.341 0.000 0.851 141 R HN 0.080 nan 8.270 nan 0.000 0.432 142 I N 0.828 121.154 120.570 -0.406 0.000 2.118 142 I HA -0.331 3.841 4.170 0.004 0.000 0.241 142 I C 2.040 178.102 176.117 -0.092 0.000 1.070 142 I CA 0.953 62.116 61.300 -0.228 0.000 1.327 142 I CB -0.347 37.586 38.000 -0.113 0.000 1.034 142 I HN 0.209 nan 8.210 nan 0.000 0.405 143 L N 0.361 121.537 121.223 -0.079 0.000 2.043 143 L HA -0.288 4.054 4.340 0.004 0.000 0.212 143 L C 2.567 179.421 176.870 -0.028 0.000 1.075 143 L CA 1.858 56.671 54.840 -0.046 0.000 0.752 143 L CB -1.211 40.822 42.059 -0.043 0.000 0.891 143 L HN 0.365 nan 8.230 nan 0.000 0.432 144 Q N -1.588 118.188 119.800 -0.040 0.000 2.123 144 Q HA -0.162 4.181 4.340 0.004 0.000 0.199 144 Q C 1.952 177.962 176.000 0.017 0.000 0.966 144 Q CA 1.859 57.654 55.803 -0.014 0.000 0.845 144 Q CB 0.126 28.850 28.738 -0.022 0.000 0.907 144 Q HN 0.477 nan 8.270 nan 0.000 0.439 145 T N 1.117 115.689 114.554 0.031 0.000 2.708 145 T HA -0.135 4.218 4.350 0.004 0.000 0.266 145 T C 1.759 176.509 174.700 0.083 0.000 1.037 145 T CA 1.383 63.541 62.100 0.098 0.000 1.146 145 T CB -0.235 68.764 68.868 0.219 0.000 0.865 145 T HN 0.266 nan 8.240 nan 0.000 0.435 146 I N 0.784 121.390 120.570 0.060 0.000 2.145 146 I HA -0.230 3.942 4.170 0.004 0.000 0.244 146 I C 1.720 177.869 176.117 0.054 0.000 1.075 146 I CA 1.337 62.669 61.300 0.053 0.000 1.332 146 I CB -0.432 37.585 38.000 0.028 0.000 1.033 146 I HN 0.359 nan 8.210 nan 0.000 0.410 150 N N 0.410 119.200 118.700 0.150 0.000 2.725 150 N HA -0.168 4.575 4.740 0.004 0.000 0.251 150 N C -1.211 174.448 175.510 0.247 0.000 1.031 150 N CA 0.816 53.946 53.050 0.133 0.000 0.720 150 N CB -1.464 37.036 38.487 0.023 0.000 0.930 150 N HN 0.122 nan 8.380 nan 0.000 0.543 151 V N 0.866 120.897 119.914 0.195 0.000 2.557 151 V HA -0.055 4.067 4.120 0.004 0.000 0.301 151 V C 1.506 177.690 176.094 0.149 0.000 1.026 151 V CA 1.042 63.439 62.300 0.161 0.000 1.137 151 V CB 0.834 32.707 31.823 0.083 0.000 0.917 151 V HN 0.452 nan 8.190 nan 0.000 0.484 152 E N 1.668 121.966 120.200 0.164 0.000 2.500 152 E HA 0.157 4.509 4.350 0.004 0.000 0.217 152 E C 0.211 176.878 176.600 0.112 0.000 0.848 152 E CA -0.117 56.375 56.400 0.153 0.000 1.217 152 E CB 0.824 30.667 29.700 0.239 0.000 1.217 152 E HN 0.772 nan 8.360 nan 0.000 0.573 153 H N -0.011 119.073 119.070 0.023 0.000 2.806 153 H HA 0.698 5.256 4.556 0.004 0.000 0.367 153 H C -1.786 173.539 175.328 -0.006 0.000 1.136 153 H CA -0.414 55.638 56.048 0.006 0.000 1.178 153 H CB 2.037 31.795 29.762 -0.007 0.000 1.718 153 H HN 0.075 nan 8.280 nan 0.000 0.540 154 A N 3.095 125.385 122.820 -0.883 0.000 2.572 154 A HA 0.568 4.891 4.320 0.004 0.000 0.295 154 A C -1.073 176.258 177.584 -0.420 0.000 1.072 154 A CA -0.622 51.173 52.037 -0.404 0.000 0.691 154 A CB 1.900 20.789 19.000 -0.185 0.000 1.291 154 A HN 0.591 nan 8.150 nan 0.000 0.404 155 T N 1.127 115.607 114.554 -0.122 0.000 2.824 155 T HA 0.571 4.923 4.350 0.004 0.000 0.282 155 T C -0.737 173.946 174.700 -0.029 0.000 0.993 155 T CA -0.312 61.772 62.100 -0.026 0.000 0.967 155 T CB 1.341 70.249 68.868 0.066 0.000 0.960 155 T HN 0.592 nan 8.240 nan 0.000 0.441 156 V N 3.554 123.456 119.914 -0.020 0.000 2.483 156 V HA 0.516 4.638 4.120 0.004 0.000 0.295 156 V C -0.220 175.865 176.094 -0.015 0.000 1.035 156 V CA -0.759 61.527 62.300 -0.022 0.000 0.896 156 V CB 1.850 33.659 31.823 -0.023 0.000 0.986 156 V HN 0.691 nan 8.190 nan 0.000 0.447 157 V N 3.714 123.614 119.914 -0.023 0.000 2.334 157 V HA 0.931 5.054 4.120 0.004 0.000 0.281 157 V C 0.450 176.525 176.094 -0.031 0.000 1.016 157 V CA 0.270 62.557 62.300 -0.022 0.000 0.832 157 V CB 0.703 32.513 31.823 -0.022 0.000 0.999 157 V HN 1.301 nan 8.190 nan 0.000 0.439 158 G N 3.275 112.060 108.800 -0.026 0.000 2.535 158 G HA2 0.357 4.320 3.960 0.004 0.000 0.662 158 G HA3 0.357 4.320 3.960 0.004 0.000 0.662 158 G C 0.018 174.902 174.900 -0.027 0.000 1.417 158 G CA -0.312 44.769 45.100 -0.032 0.000 0.866 158 G HN 1.071 nan 8.290 nan 0.000 0.647 159 G N -0.103 108.690 108.800 -0.012 0.000 3.774 159 G HA2 0.659 4.622 3.960 0.004 0.000 0.287 159 G HA3 0.659 4.622 3.960 0.004 0.000 0.287 159 G C 0.831 175.741 174.900 0.018 0.000 1.030 159 G CA 1.068 46.176 45.100 0.013 0.000 0.824 159 G HN 1.320 nan 8.290 nan 0.000 0.518 160 G N 0.094 108.882 108.800 -0.020 0.000 2.563 160 G HA2 0.379 4.342 3.960 0.004 0.000 0.283 160 G HA3 0.379 4.342 3.960 0.004 0.000 0.283 160 G C 0.898 175.771 174.900 -0.045 0.000 1.309 160 G CA -0.320 44.769 45.100 -0.019 0.000 1.022 160 G HN 0.280 nan 8.290 nan 0.000 0.501 161 F N -1.135 118.810 119.950 -0.007 0.000 2.216 161 F HA 0.034 4.564 4.527 0.004 0.000 0.300 161 F C 2.139 177.919 175.800 -0.032 0.000 1.085 161 F CA 0.841 58.831 58.000 -0.017 0.000 1.326 161 F CB -0.532 38.464 39.000 -0.007 0.000 1.027 161 F HN 0.191 nan 8.300 nan 0.000 0.497 162 I N 1.318 121.471 120.570 -0.694 0.000 2.252 162 I HA -0.137 4.036 4.170 0.004 0.000 0.245 162 I C 2.855 178.850 176.117 -0.203 0.000 1.102 162 I CA 1.373 62.430 61.300 -0.404 0.000 1.385 162 I CB -1.261 36.463 38.000 -0.461 0.000 1.064 162 I HN 0.390 nan 8.210 nan 0.000 0.414 163 G N 1.179 109.871 108.800 -0.180 0.000 2.418 163 G HA2 -0.173 3.789 3.960 0.004 0.000 0.217 163 G HA3 -0.173 3.789 3.960 0.004 0.000 0.217 163 G C 1.701 176.557 174.900 -0.074 0.000 1.158 163 G CA 0.445 45.484 45.100 -0.101 0.000 0.771 163 G HN 0.271 nan 8.290 nan 0.000 0.545 164 L N 0.121 121.309 121.223 -0.058 0.000 2.156 164 L HA 0.113 4.455 4.340 0.004 0.000 0.208 164 L C 1.653 178.456 176.870 -0.112 0.000 1.095 164 L CA 0.384 55.188 54.840 -0.061 0.000 0.770 164 L CB -0.317 41.730 42.059 -0.019 0.000 0.914 164 L HN 0.283 nan 8.230 nan 0.000 0.439 169 S N 1.355 117.056 115.700 0.002 0.000 2.348 169 S HA -0.076 4.397 4.470 0.004 0.000 0.221 169 S C 1.842 176.511 174.600 0.115 0.000 1.033 169 S CA 1.558 59.786 58.200 0.046 0.000 1.010 169 S CB -0.271 62.902 63.200 -0.045 0.000 0.891 169 S HN 0.300 nan 8.310 nan 0.000 0.442 170 L N 0.482 121.751 121.223 0.076 0.000 2.043 170 L HA -0.210 4.132 4.340 0.004 0.000 0.212 170 L C 2.483 179.427 176.870 0.125 0.000 1.075 170 L CA 1.926 56.810 54.840 0.073 0.000 0.752 170 L CB -0.702 41.376 42.059 0.031 0.000 0.891 170 L HN 0.423 nan 8.230 nan 0.000 0.432 171 H N -1.178 117.960 119.070 0.112 0.000 2.395 171 H HA -0.208 4.350 4.556 0.003 0.000 0.299 171 H C 2.373 177.790 175.328 0.149 0.000 1.070 171 H CA 1.777 57.918 56.048 0.154 0.000 1.356 171 H CB 0.050 29.988 29.762 0.294 0.000 1.401 171 H HN 0.311 nan 8.280 nan 0.000 0.524 172 H N 0.131 119.334 119.070 0.223 0.000 2.353 172 H HA -0.107 4.452 4.556 0.005 0.000 0.298 172 H C 1.830 177.181 175.328 0.038 0.000 1.103 172 H CA 2.006 58.139 56.048 0.142 0.000 1.293 172 H CB -0.259 29.585 29.762 0.137 0.000 1.372 172 H HN 0.401 nan 8.280 nan 0.000 0.501 173 L N -1.122 120.110 121.223 0.014 0.000 2.552 173 L HA 0.110 4.452 4.340 0.004 0.000 0.227 173 L C 1.638 178.455 176.870 -0.088 0.000 1.146 173 L CA 0.677 55.489 54.840 -0.047 0.000 0.858 173 L CB 0.117 42.184 42.059 0.013 0.000 0.969 173 L HN 0.654 nan 8.230 nan 0.000 0.451 174 G N 0.180 108.900 108.800 -0.133 0.000 2.148 174 G HA2 -0.216 3.747 3.960 0.004 0.000 0.203 174 G HA3 -0.216 3.747 3.960 0.004 0.000 0.203 174 G C 0.100 174.947 174.900 -0.087 0.000 0.993 174 G CA -0.524 44.493 45.100 -0.138 0.000 0.661 174 G HN 0.213 nan 8.290 nan 0.000 0.518 175 I N 1.245 121.777 120.570 -0.063 0.000 2.385 175 I HA 0.294 4.467 4.170 0.004 0.000 0.294 175 I C 0.612 176.715 176.117 -0.023 0.000 0.988 175 I CA -0.845 60.438 61.300 -0.028 0.000 1.265 175 I CB 1.416 39.405 38.000 -0.019 0.000 1.388 175 I HN -0.078 nan 8.210 nan 0.000 0.480 176 K N 3.532 123.927 120.400 -0.007 0.000 2.297 176 K HA 0.413 4.735 4.320 0.004 0.000 0.286 176 K C -0.000 176.562 176.600 -0.063 0.000 1.053 176 K CA -0.557 55.760 56.287 0.050 0.000 0.940 176 K CB 1.069 33.666 32.500 0.162 0.000 1.019 176 K HN 0.848 nan 8.250 nan 0.000 0.475 177 T N -1.256 113.307 114.554 0.015 0.000 2.906 177 T HA 0.618 4.971 4.350 0.004 0.000 0.295 177 T C -0.305 174.435 174.700 0.066 0.000 1.075 177 T CA -0.765 61.281 62.100 -0.090 0.000 1.005 177 T CB 1.942 70.815 68.868 0.007 0.000 1.136 177 T HN 0.378 nan 8.240 nan 0.000 0.498 178 T N 2.117 116.698 114.554 0.045 0.000 2.841 178 T HA 0.594 4.947 4.350 0.004 0.000 0.285 178 T C -1.023 173.715 174.700 0.063 0.000 0.991 178 T CA -0.619 61.555 62.100 0.123 0.000 0.966 178 T CB 1.249 70.248 68.868 0.218 0.000 0.962 178 T HN 0.737 nan 8.240 nan 0.000 0.438 179 L N 4.430 125.685 121.223 0.054 0.000 2.305 179 L HA 0.640 4.983 4.340 0.004 0.000 0.284 179 L C -1.311 175.571 176.870 0.020 0.000 1.013 179 L CA -0.823 54.036 54.840 0.032 0.000 0.819 179 L CB 0.632 42.714 42.059 0.039 0.000 1.227 179 L HN 0.575 nan 8.230 nan 0.000 0.417 180 L N 4.469 125.697 121.223 0.010 0.000 2.282 180 L HA 0.628 4.971 4.340 0.004 0.000 0.288 180 L C -0.548 176.318 176.870 -0.007 0.000 1.033 180 L CA -0.485 54.354 54.840 -0.001 0.000 0.807 180 L CB 1.519 43.577 42.059 -0.001 0.000 1.209 180 L HN 0.514 nan 8.230 nan 0.000 0.423 181 E N 2.203 122.396 120.200 -0.012 0.000 2.272 181 E HA 0.266 4.619 4.350 0.004 0.000 0.269 181 E C -0.279 176.312 176.600 -0.015 0.000 0.877 181 E CA -0.676 55.718 56.400 -0.010 0.000 0.755 181 E CB 2.001 31.700 29.700 -0.001 0.000 1.192 181 E HN 0.386 nan 8.360 nan 0.000 0.422 182 L N 3.335 124.551 121.223 -0.012 0.000 2.072 182 L HA 0.398 4.740 4.340 0.004 0.000 0.205 182 L C 0.846 177.710 176.870 -0.010 0.000 1.079 182 L CA 1.856 56.688 54.840 -0.012 0.000 0.752 182 L CB -0.795 41.258 42.059 -0.010 0.000 0.906 182 L HN 0.657 nan 8.230 nan 0.000 0.436 183 A N 0.216 123.034 122.820 -0.003 0.000 2.521 183 A HA 0.004 4.327 4.320 0.004 0.000 0.237 183 A C 0.761 178.344 177.584 -0.002 0.000 1.087 183 A CA 0.454 52.493 52.037 0.004 0.000 0.777 183 A CB -0.259 18.752 19.000 0.018 0.000 1.035 183 A HN 0.585 nan 8.150 nan 0.000 0.510 184 D N -0.995 119.410 120.400 0.007 0.000 2.325 184 D HA 0.106 4.748 4.640 0.004 0.000 0.234 184 D C 0.168 176.484 176.300 0.027 0.000 1.122 184 D CA 0.343 54.340 54.000 -0.005 0.000 0.850 184 D CB -0.321 40.479 40.800 -0.000 0.000 0.921 184 D HN 0.658 nan 8.370 nan 0.000 0.513 185 Q N -1.008 118.835 119.800 0.071 0.000 2.426 185 Q HA 0.430 4.773 4.340 0.004 0.000 0.278 185 Q C -0.298 175.819 176.000 0.195 0.000 1.007 185 Q CA -1.221 54.718 55.803 0.225 0.000 0.850 185 Q CB 1.670 30.533 28.738 0.208 0.000 1.427 185 Q HN -0.062 nan 8.270 nan 0.000 0.391 189 P HA 0.140 nan 4.420 nan 0.000 0.220 189 P C 0.714 178.012 177.300 -0.003 0.000 1.148 189 P CA 0.991 64.099 63.100 0.012 0.000 0.803 189 P CB -0.114 31.597 31.700 0.019 0.000 0.782 190 V N -3.122 116.796 119.914 0.006 0.000 2.532 190 V HA 0.415 4.538 4.120 0.004 0.000 0.295 190 V C 0.026 176.126 176.094 0.009 0.000 1.041 190 V CA -1.060 61.240 62.300 0.000 0.000 0.926 190 V CB 1.167 32.993 31.823 0.006 0.000 0.992 190 V HN -0.238 nan 8.190 nan 0.000 0.457 191 D N 2.429 122.837 120.400 0.015 0.000 2.361 191 D HA 0.154 4.797 4.640 0.004 0.000 0.239 191 D C 1.174 177.495 176.300 0.035 0.000 1.200 191 D CA -0.130 53.889 54.000 0.032 0.000 0.915 191 D CB 0.817 41.651 40.800 0.056 0.000 1.170 191 D HN 0.714 nan 8.370 nan 0.000 0.444 192 R N 0.492 121.020 120.500 0.047 0.000 2.096 192 R HA -0.133 4.210 4.340 0.004 0.000 0.240 192 R C 0.924 177.207 176.300 -0.028 0.000 1.139 192 R CA 1.203 57.327 56.100 0.039 0.000 0.952 192 R CB -0.009 30.331 30.300 0.066 0.000 0.854 192 R HN 0.617 nan 8.270 nan 0.000 0.436 196 G N -0.299 108.274 108.800 -0.378 0.000 2.448 196 G HA2 -0.041 3.922 3.960 0.004 0.000 0.219 196 G HA3 -0.041 3.922 3.960 0.004 0.000 0.219 196 G C 1.262 176.130 174.900 -0.054 0.000 1.127 196 G CA 1.512 46.479 45.100 -0.221 0.000 0.766 196 G HN 0.429 nan 8.290 nan 0.000 0.552 197 F N 1.506 121.451 119.950 -0.008 0.000 2.146 197 F HA 0.037 4.566 4.527 0.004 0.000 0.298 197 F C 3.064 178.865 175.800 0.002 0.000 1.096 197 F CA 0.862 58.836 58.000 -0.043 0.000 1.275 197 F CB -0.122 38.739 39.000 -0.231 0.000 1.008 197 F HN 0.225 nan 8.300 nan 0.000 0.480 198 A N -0.270 122.611 122.820 0.101 0.000 1.902 198 A HA -0.221 4.102 4.320 0.004 0.000 0.217 198 A C 1.799 179.460 177.584 0.128 0.000 1.181 198 A CA 1.915 53.992 52.037 0.068 0.000 0.623 198 A CB -1.366 17.630 19.000 -0.008 0.000 0.818 198 A HN 0.524 nan 8.150 nan 0.000 0.443 199 H N -1.293 117.842 119.070 0.107 0.000 2.290 199 H HA -0.185 4.373 4.556 0.004 0.000 0.298 199 H C 2.353 177.728 175.328 0.078 0.000 1.087 199 H CA 1.472 57.564 56.048 0.074 0.000 1.291 199 H CB -0.039 29.741 29.762 0.030 0.000 1.369 199 H HN 0.602 nan 8.280 nan 0.000 0.492 200 Q N 0.600 120.538 119.800 0.229 0.000 2.124 200 Q HA -0.149 4.194 4.340 0.004 0.000 0.202 200 Q C 2.503 178.591 176.000 0.145 0.000 0.977 200 Q CA 1.058 56.961 55.803 0.166 0.000 0.850 200 Q CB -0.050 28.811 28.738 0.204 0.000 0.901 200 Q HN 0.493 nan 8.270 nan 0.000 0.429 201 A N 0.512 123.434 122.820 0.170 0.000 1.898 201 A HA -0.149 4.173 4.320 0.004 0.000 0.216 201 A C 1.931 179.581 177.584 0.109 0.000 1.181 201 A CA 1.054 53.171 52.037 0.133 0.000 0.620 201 A CB -0.540 18.565 19.000 0.174 0.000 0.819 201 A HN 0.426 nan 8.150 nan 0.000 0.442 202 I N -0.704 119.982 120.570 0.193 0.000 2.286 202 I HA -0.269 3.904 4.170 0.004 0.000 0.248 202 I C 2.689 178.842 176.117 0.061 0.000 1.115 202 I CA 1.373 62.794 61.300 0.202 0.000 1.392 202 I CB -0.199 37.947 38.000 0.245 0.000 1.065 202 I HN 0.271 nan 8.210 nan 0.000 0.418 203 R N 0.136 120.674 120.500 0.062 0.000 2.153 203 R HA -0.097 4.246 4.340 0.004 0.000 0.218 203 R C 1.569 177.862 176.300 -0.012 0.000 1.072 203 R CA 0.958 57.074 56.100 0.026 0.000 0.990 203 R CB -0.309 30.009 30.300 0.031 0.000 0.889 203 R HN 0.244 nan 8.270 nan 0.000 0.452 204 D N 0.623 121.012 120.400 -0.019 0.000 2.311 204 D HA -0.125 4.517 4.640 0.004 0.000 0.212 204 D C 1.293 177.524 176.300 -0.115 0.000 0.972 204 D CA 1.055 55.028 54.000 -0.046 0.000 0.887 204 D CB 0.111 40.895 40.800 -0.025 0.000 0.915 204 D HN 0.066 nan 8.370 nan 0.000 0.497 205 Q N -0.991 118.678 119.800 -0.219 0.000 2.220 205 Q HA 0.268 4.611 4.340 0.004 0.000 0.205 205 Q C 1.112 177.051 176.000 -0.102 0.000 0.865 205 Q CA 0.269 55.868 55.803 -0.341 0.000 0.960 205 Q CB 0.922 29.049 28.738 -1.018 0.000 1.097 205 Q HN 0.269 nan 8.270 nan 0.000 0.493 206 G N 0.402 109.185 108.800 -0.029 0.000 2.136 206 G HA2 -0.248 3.715 3.960 0.004 0.000 0.242 206 G HA3 -0.248 3.715 3.960 0.004 0.000 0.242 206 G C 0.179 175.126 174.900 0.077 0.000 0.989 206 G CA 0.292 45.419 45.100 0.046 0.000 0.682 206 G HN 0.224 nan 8.290 nan 0.000 0.522 207 V N 1.100 121.049 119.914 0.057 0.000 2.530 207 V HA 0.381 4.503 4.120 0.004 0.000 0.282 207 V C 0.525 176.667 176.094 0.080 0.000 1.048 207 V CA -0.380 61.980 62.300 0.101 0.000 0.997 207 V CB 1.765 33.663 31.823 0.125 0.000 0.987 207 V HN 0.345 nan 8.190 nan 0.000 0.477 208 D N 5.015 125.470 120.400 0.092 0.000 2.402 208 D HA 0.145 4.787 4.640 0.004 0.000 0.235 208 D C -0.451 175.884 176.300 0.058 0.000 1.226 208 D CA 0.041 54.083 54.000 0.071 0.000 0.918 208 D CB 0.486 41.343 40.800 0.095 0.000 1.043 208 D HN 0.412 nan 8.370 nan 0.000 0.506 209 L N 4.566 125.810 121.223 0.035 0.000 2.275 209 L HA 0.423 4.766 4.340 0.004 0.000 0.288 209 L C -0.074 176.786 176.870 -0.017 0.000 1.046 209 L CA -0.626 54.224 54.840 0.016 0.000 0.805 209 L CB 0.618 42.681 42.059 0.008 0.000 1.193 209 L HN 0.252 nan 8.230 nan 0.000 0.426 210 R N 5.249 125.737 120.500 -0.020 0.000 2.407 210 R HA 0.397 4.740 4.340 0.004 0.000 0.298 210 R C -1.193 175.078 176.300 -0.049 0.000 1.166 210 R CA -0.888 55.191 56.100 -0.035 0.000 1.006 210 R CB 1.358 31.648 30.300 -0.017 0.000 1.145 210 R HN 0.379 nan 8.270 nan 0.000 0.538 211 L N 0.476 121.649 121.223 -0.084 0.000 2.454 211 L HA 0.436 4.779 4.340 0.004 0.000 0.256 211 L C 1.600 178.434 176.870 -0.060 0.000 1.136 211 L CA 0.307 55.094 54.840 -0.088 0.000 0.804 211 L CB 0.717 42.681 42.059 -0.158 0.000 1.181 211 L HN 0.846 nan 8.230 nan 0.000 0.469 212 G N 0.137 108.910 108.800 -0.045 0.000 2.225 212 G HA2 -0.248 3.715 3.960 0.004 0.000 0.267 212 G HA3 -0.248 3.715 3.960 0.004 0.000 0.267 212 G C 0.232 175.117 174.900 -0.026 0.000 1.024 212 G CA 0.571 45.652 45.100 -0.032 0.000 0.784 212 G HN 0.666 nan 8.290 nan 0.000 0.507 213 T N -0.192 114.347 114.554 -0.024 0.000 2.881 213 T HA 0.779 5.131 4.350 0.004 0.000 0.290 213 T C 0.145 174.835 174.700 -0.016 0.000 1.000 213 T CA 0.310 62.399 62.100 -0.019 0.000 0.978 213 T CB 2.050 70.906 68.868 -0.020 0.000 0.997 213 T HN 1.365 nan 8.240 nan 0.000 0.443 214 A N 2.201 125.013 122.820 -0.014 0.000 2.354 214 A HA 0.858 5.180 4.320 0.004 0.000 0.321 214 A C -1.043 176.534 177.584 -0.012 0.000 1.125 214 A CA -0.760 51.269 52.037 -0.013 0.000 0.799 214 A CB 1.012 20.004 19.000 -0.012 0.000 1.293 214 A HN 0.690 nan 8.150 nan 0.000 0.452 215 L N 1.592 122.808 121.223 -0.012 0.000 2.261 215 L HA 0.476 4.819 4.340 0.004 0.000 0.289 215 L C 0.808 177.671 176.870 -0.012 0.000 1.059 215 L CA 0.624 55.456 54.840 -0.012 0.000 0.816 215 L CB 0.713 42.763 42.059 -0.015 0.000 1.191 215 L HN 0.637 nan 8.230 nan 0.000 0.431 216 S N 3.203 118.897 115.700 -0.011 0.000 2.427 216 S HA 0.251 4.724 4.470 0.004 0.000 0.224 216 S C -0.065 174.530 174.600 -0.009 0.000 1.047 216 S CA 0.389 58.583 58.200 -0.009 0.000 0.953 216 S CB 0.145 63.340 63.200 -0.008 0.000 0.824 216 S HN 0.735 nan 8.310 nan 0.000 0.502 217 E N 0.134 120.329 120.200 -0.008 0.000 2.366 217 E HA 0.514 4.866 4.350 0.004 0.000 0.278 217 E C -1.782 174.815 176.600 -0.006 0.000 0.923 217 E CA -0.528 55.869 56.400 -0.005 0.000 0.761 217 E CB 2.596 32.295 29.700 -0.002 0.000 1.231 217 E HN -0.103 nan 8.360 nan 0.000 0.443 218 V N 1.524 121.436 119.914 -0.003 0.000 2.409 218 V HA 0.385 4.508 4.120 0.004 0.000 0.291 218 V C -0.481 175.625 176.094 0.021 0.000 1.020 218 V CA -0.591 61.709 62.300 0.000 0.000 0.848 218 V CB 1.641 33.458 31.823 -0.010 0.000 0.990 218 V HN 0.601 nan 8.190 nan 0.000 0.430 219 S N 4.675 120.390 115.700 0.025 0.000 2.530 219 S HA 0.560 5.033 4.470 0.004 0.000 0.322 219 S C -1.175 173.472 174.600 0.078 0.000 1.085 219 S CA -0.465 57.761 58.200 0.044 0.000 1.096 219 S CB 0.495 63.709 63.200 0.023 0.000 0.988 219 S HN 0.661 nan 8.310 nan 0.000 0.466 220 Y N 4.817 125.106 120.300 -0.019 0.000 2.335 220 Y HA 0.535 5.087 4.550 0.004 0.000 0.339 220 Y C -0.503 175.406 175.900 0.016 0.000 0.987 220 Y CA -0.447 57.643 58.100 -0.016 0.000 1.140 220 Y CB 0.949 39.395 38.460 -0.024 0.000 1.173 220 Y HN 0.644 nan 8.280 nan 0.000 0.486 221 Q N 5.700 125.132 119.800 -0.613 0.000 2.357 221 Q HA 0.421 4.764 4.340 0.004 0.000 0.266 221 Q C -0.999 174.601 176.000 -0.667 0.000 1.021 221 Q CA -0.961 54.556 55.803 -0.477 0.000 0.784 221 Q CB 2.461 31.116 28.738 -0.139 0.000 1.243 221 Q HN 0.667 nan 8.270 nan 0.000 0.465 222 V N 2.668 122.186 119.914 -0.661 0.000 2.673 222 V HA -0.047 4.076 4.120 0.004 0.000 0.303 222 V C -0.050 175.966 176.094 -0.130 0.000 1.046 222 V CA 0.206 62.287 62.300 -0.365 0.000 1.126 222 V CB 1.352 33.084 31.823 -0.152 0.000 0.934 222 V HN 0.752 nan 8.190 nan 0.000 0.487 223 Q N 3.971 123.753 119.800 -0.031 0.000 2.296 223 Q HA 0.204 4.547 4.340 0.004 0.000 0.262 223 Q C 0.811 176.827 176.000 0.026 0.000 0.981 223 Q CA 0.950 56.765 55.803 0.020 0.000 0.905 223 Q CB 1.340 30.114 28.738 0.060 0.000 1.186 223 Q HN 0.968 nan 8.270 nan 0.000 0.399 224 T N 0.401 114.981 114.554 0.043 0.000 3.001 224 T HA 0.126 4.478 4.350 0.004 0.000 0.251 224 T C -0.159 174.594 174.700 0.088 0.000 1.040 224 T CA 0.306 62.435 62.100 0.050 0.000 0.985 224 T CB -0.089 68.802 68.868 0.038 0.000 1.011 224 T HN 0.648 nan 8.240 nan 0.000 0.509 225 H N 0.542 119.612 119.070 -0.001 0.000 2.727 225 H HA 0.634 5.193 4.556 0.004 0.000 0.330 225 H C -1.691 173.638 175.328 0.002 0.000 0.986 225 H CA -0.791 55.256 56.048 -0.002 0.000 1.251 225 H CB 1.530 31.289 29.762 -0.007 0.000 1.493 225 H HN 0.020 nan 8.280 nan 0.000 0.515 226 V N 5.311 124.967 119.914 -0.430 0.000 2.333 226 V HA 0.592 4.715 4.120 0.004 0.000 0.274 226 V C 0.560 176.347 176.094 -0.512 0.000 1.028 226 V CA -0.056 62.037 62.300 -0.344 0.000 0.851 226 V CB 0.497 32.219 31.823 -0.168 0.000 1.000 226 V HN 1.033 nan 8.190 nan 0.000 0.456 227 A N 4.900 127.464 122.820 -0.426 0.000 2.287 227 A HA 0.895 5.218 4.320 0.004 0.000 0.273 227 A C 0.323 177.818 177.584 -0.148 0.000 1.091 227 A CA 0.109 51.978 52.037 -0.281 0.000 0.817 227 A CB 0.894 19.842 19.000 -0.087 0.000 1.069 227 A HN 1.202 nan 8.150 nan 0.000 0.492 228 S N -0.824 114.827 115.700 -0.082 0.000 2.565 228 S HA 0.418 4.891 4.470 0.004 0.000 0.269 228 S C -0.444 174.137 174.600 -0.032 0.000 1.153 228 S CA -0.529 57.636 58.200 -0.059 0.000 0.835 228 S CB 1.343 64.510 63.200 -0.056 0.000 1.122 228 S HN 0.530 nan 8.310 nan 0.000 0.462 229 D N 0.962 121.343 120.400 -0.031 0.000 2.271 229 D HA 0.141 4.784 4.640 0.004 0.000 0.206 229 D C 1.911 178.202 176.300 -0.015 0.000 0.967 229 D CA 1.198 55.184 54.000 -0.023 0.000 0.867 229 D CB -0.079 40.705 40.800 -0.027 0.000 0.960 229 D HN 0.725 nan 8.370 nan 0.000 0.509 230 A N 0.617 123.428 122.820 -0.015 0.000 2.209 230 A HA 0.152 4.475 4.320 0.004 0.000 0.212 230 A C 1.908 179.491 177.584 -0.001 0.000 1.158 230 A CA 1.232 53.264 52.037 -0.008 0.000 0.742 230 A CB -0.048 18.946 19.000 -0.009 0.000 0.790 230 A HN 0.181 nan 8.150 nan 0.000 0.472 231 A N -1.906 120.915 122.820 0.002 0.000 2.390 231 A HA 0.464 4.787 4.320 0.004 0.000 0.232 231 A C 1.575 179.167 177.584 0.015 0.000 1.233 231 A CA 0.906 52.952 52.037 0.015 0.000 0.907 231 A CB -0.563 18.457 19.000 0.033 0.000 0.967 231 A HN 1.727 nan 8.150 nan 0.000 0.512 232 G N 0.483 109.286 108.800 0.006 0.000 2.221 232 G HA2 -0.246 3.717 3.960 0.004 0.000 0.265 232 G HA3 -0.246 3.717 3.960 0.004 0.000 0.265 232 G C -0.194 174.711 174.900 0.008 0.000 1.041 232 G CA 0.627 45.730 45.100 0.004 0.000 0.807 232 G HN 0.684 nan 8.290 nan 0.000 0.502 233 E N -0.322 119.886 120.200 0.012 0.000 2.254 233 E HA 0.477 4.830 4.350 0.004 0.000 0.261 233 E C -0.441 176.156 176.600 -0.004 0.000 1.051 233 E CA -0.964 55.446 56.400 0.018 0.000 0.902 233 E CB 1.030 30.760 29.700 0.050 0.000 1.168 233 E HN 0.095 nan 8.360 nan 0.000 0.423 234 D N 1.211 121.609 120.400 -0.004 0.000 2.339 234 D HA 0.006 4.648 4.640 0.004 0.000 0.241 234 D C 0.289 176.554 176.300 -0.057 0.000 1.183 234 D CA -0.083 53.897 54.000 -0.033 0.000 0.859 234 D CB 0.844 41.636 40.800 -0.014 0.000 1.067 234 D HN 0.512 nan 8.370 nan 0.000 0.484 235 T N 0.769 115.271 114.554 -0.086 0.000 3.163 235 T HA 0.302 4.655 4.350 0.004 0.000 0.252 235 T C 1.453 176.053 174.700 -0.167 0.000 1.056 235 T CA 0.247 62.283 62.100 -0.107 0.000 0.947 235 T CB 0.357 69.171 68.868 -0.090 0.000 1.016 235 T HN 0.243 nan 8.240 nan 0.000 0.554 236 A N 1.624 124.288 122.820 -0.260 0.000 1.930 236 A HA 0.034 4.357 4.320 0.004 0.000 0.215 236 A C 1.598 178.920 177.584 -0.438 0.000 1.176 236 A CA 0.601 52.404 52.037 -0.391 0.000 0.632 236 A CB -0.425 18.263 19.000 -0.520 0.000 0.819 236 A HN 0.696 nan 8.150 nan 0.000 0.445 237 H N -0.380 118.632 119.070 -0.097 0.000 2.524 237 H HA 0.282 4.840 4.556 0.004 0.000 0.297 237 H C -0.079 175.037 175.328 -0.352 0.000 1.115 237 H CA -0.211 55.750 56.048 -0.146 0.000 1.027 237 H CB -0.257 29.500 29.762 -0.009 0.000 1.591 237 H HN 0.541 nan 8.280 nan 0.000 0.543 238 Q N 1.132 120.735 119.800 -0.328 0.000 2.230 238 Q HA 0.180 4.523 4.340 0.004 0.000 0.248 238 Q C -0.586 175.040 176.000 -0.623 0.000 0.915 238 Q CA -0.538 55.076 55.803 -0.315 0.000 0.900 238 Q CB 1.016 29.661 28.738 -0.156 0.000 1.229 238 Q HN 0.495 nan 8.270 nan 0.000 0.439 239 H N 4.658 123.769 119.070 0.068 0.000 2.953 239 H HA 0.176 4.735 4.556 0.004 0.000 0.290 239 H C 0.486 175.853 175.328 0.066 0.000 1.113 239 H CA -0.152 55.943 56.048 0.079 0.000 1.454 239 H CB 0.713 30.545 29.762 0.116 0.000 1.525 239 H HN 0.722 nan 8.280 nan 0.000 0.505 240 I N 1.474 122.104 120.570 0.100 0.000 2.676 240 I HA -0.172 4.001 4.170 0.004 0.000 0.259 240 I C 1.563 177.739 176.117 0.097 0.000 1.194 240 I CA 1.095 62.435 61.300 0.066 0.000 1.473 240 I CB 0.261 38.277 38.000 0.027 0.000 1.096 240 I HN 0.078 nan 8.210 nan 0.000 0.443 241 K N 1.125 121.608 120.400 0.138 0.000 2.404 241 K HA 0.289 4.611 4.320 0.004 0.000 0.194 241 K C 0.244 176.985 176.600 0.235 0.000 1.023 241 K CA 0.584 56.971 56.287 0.167 0.000 1.094 241 K CB 0.174 32.766 32.500 0.153 0.000 0.841 241 K HN 0.521 nan 8.250 nan 0.000 0.523 242 G N -0.702 108.218 108.800 0.201 0.000 2.422 242 G HA2 -0.127 3.835 3.960 0.004 0.000 0.607 242 G HA3 -0.127 3.835 3.960 0.004 0.000 0.607 242 G C -1.749 173.277 174.900 0.210 0.000 1.270 242 G CA -0.628 44.568 45.100 0.160 0.000 0.992 242 G HN 0.274 nan 8.290 nan 0.000 0.499 243 H N -0.738 118.336 119.070 0.007 0.000 2.851 243 H HA 0.669 5.227 4.556 0.004 0.000 0.372 243 H C -0.955 174.393 175.328 0.033 0.000 1.158 243 H CA -0.705 55.343 56.048 -0.000 0.000 1.159 243 H CB 1.668 31.410 29.762 -0.032 0.000 1.757 243 H HN 0.520 nan 8.280 nan 0.000 0.546 244 L N 2.617 123.493 121.223 -0.578 0.000 2.329 244 L HA 0.307 4.650 4.340 0.004 0.000 0.279 244 L C 0.073 176.677 176.870 -0.443 0.000 1.014 244 L CA -0.645 54.003 54.840 -0.321 0.000 0.814 244 L CB 1.946 43.907 42.059 -0.163 0.000 1.257 244 L HN 0.387 nan 8.230 nan 0.000 0.424 245 S N 3.881 119.492 115.700 -0.149 0.000 2.596 245 S HA 0.693 5.166 4.470 0.004 0.000 0.318 245 S C -0.740 173.839 174.600 -0.035 0.000 1.097 245 S CA -0.571 57.593 58.200 -0.061 0.000 1.080 245 S CB 0.470 63.694 63.200 0.040 0.000 0.991 245 S HN 0.419 nan 8.310 nan 0.000 0.471 246 L N 3.788 124.991 121.223 -0.035 0.000 2.325 246 L HA 0.574 4.917 4.340 0.004 0.000 0.278 246 L C 0.140 177.002 176.870 -0.013 0.000 1.023 246 L CA -0.809 54.018 54.840 -0.023 0.000 0.811 246 L CB 1.959 44.004 42.059 -0.023 0.000 1.249 246 L HN 0.424 nan 8.230 nan 0.000 0.431 247 T N 3.635 118.184 114.554 -0.010 0.000 2.795 247 T HA 0.581 4.933 4.350 0.004 0.000 0.282 247 T C 0.050 174.744 174.700 -0.009 0.000 0.980 247 T CA -0.434 61.661 62.100 -0.008 0.000 1.012 247 T CB 0.996 69.861 68.868 -0.006 0.000 0.936 247 T HN 0.280 nan 8.240 nan 0.000 0.457 248 L N 1.962 123.179 121.223 -0.010 0.000 2.387 248 L HA 0.345 4.687 4.340 0.004 0.000 0.266 248 L C 1.957 178.821 176.870 -0.010 0.000 1.059 248 L CA -0.804 54.029 54.840 -0.010 0.000 0.801 248 L CB 0.912 42.965 42.059 -0.011 0.000 1.223 248 L HN 0.772 nan 8.230 nan 0.000 0.456 249 S N -0.198 115.496 115.700 -0.011 0.000 2.493 249 S HA -0.170 4.303 4.470 0.004 0.000 0.243 249 S C 0.886 175.480 174.600 -0.010 0.000 0.991 249 S CA 1.359 59.553 58.200 -0.010 0.000 0.957 249 S CB -0.752 62.442 63.200 -0.011 0.000 0.756 249 S HN 0.866 nan 8.310 nan 0.000 0.521 250 N N 0.086 118.779 118.700 -0.011 0.000 2.275 250 N HA 0.379 5.121 4.740 0.004 0.000 0.236 250 N C 1.014 176.518 175.510 -0.010 0.000 1.154 250 N CA 0.124 53.167 53.050 -0.011 0.000 0.866 250 N CB -0.115 38.365 38.487 -0.013 0.000 1.093 250 N HN 0.380 nan 8.380 nan 0.000 0.515 251 G N -0.447 108.347 108.800 -0.009 0.000 2.196 251 G HA2 -0.360 3.603 3.960 0.004 0.000 0.268 251 G HA3 -0.360 3.603 3.960 0.004 0.000 0.268 251 G C -0.236 174.659 174.900 -0.009 0.000 0.975 251 G CA 0.505 45.600 45.100 -0.009 0.000 0.648 251 G HN 0.535 nan 8.290 nan 0.000 0.538 252 E N -0.772 119.422 120.200 -0.011 0.000 2.373 252 E HA 0.561 4.914 4.350 0.004 0.000 0.263 252 E C -0.173 176.420 176.600 -0.012 0.000 1.073 252 E CA -0.733 55.660 56.400 -0.012 0.000 0.894 252 E CB 0.880 30.571 29.700 -0.014 0.000 1.008 252 E HN 0.085 nan 8.360 nan 0.000 0.420 253 L N 2.694 123.909 121.223 -0.012 0.000 2.317 253 L HA 0.406 4.749 4.340 0.004 0.000 0.281 253 L C -0.945 175.913 176.870 -0.020 0.000 1.024 253 L CA -0.171 54.662 54.840 -0.011 0.000 0.810 253 L CB 1.176 43.232 42.059 -0.004 0.000 1.240 253 L HN 0.410 nan 8.230 nan 0.000 0.427 254 L N 3.789 124.998 121.223 -0.023 0.000 2.406 254 L HA 0.474 4.817 4.340 0.004 0.000 0.272 254 L C -0.854 175.986 176.870 -0.050 0.000 0.980 254 L CA -0.645 54.168 54.840 -0.045 0.000 0.831 254 L CB 1.848 43.888 42.059 -0.032 0.000 1.253 254 L HN 0.535 nan 8.230 nan 0.000 0.406 255 E N 2.513 122.678 120.200 -0.059 0.000 2.175 255 E HA 0.509 4.861 4.350 0.004 0.000 0.278 255 E C -0.665 175.886 176.600 -0.081 0.000 0.969 255 E CA -0.192 56.203 56.400 -0.008 0.000 0.796 255 E CB 2.568 32.364 29.700 0.160 0.000 1.104 255 E HN 0.439 nan 8.360 nan 0.000 0.395 256 T N 0.848 115.294 114.554 -0.180 0.000 2.821 256 T HA 0.215 4.568 4.350 0.004 0.000 0.306 256 T C -0.543 174.079 174.700 -0.129 0.000 1.313 256 T CA -0.574 61.525 62.100 -0.001 0.000 1.012 256 T CB 1.087 70.045 68.868 0.151 0.000 1.298 256 T HN 0.226 nan 8.240 nan 0.000 0.502 257 D N 0.827 121.214 120.400 -0.022 0.000 2.366 257 D HA 0.246 4.888 4.640 0.004 0.000 0.205 257 D C 0.140 176.423 176.300 -0.029 0.000 1.022 257 D CA 0.305 54.258 54.000 -0.078 0.000 0.868 257 D CB 0.907 41.633 40.800 -0.123 0.000 0.953 257 D HN 0.250 nan 8.370 nan 0.000 0.514 258 L N 0.396 121.601 121.223 -0.031 0.000 2.592 258 L HA 0.371 4.714 4.340 0.004 0.000 0.258 258 L C -2.318 174.523 176.870 -0.048 0.000 0.926 258 L CA -0.574 54.248 54.840 -0.031 0.000 0.885 258 L CB 2.471 44.532 42.059 0.002 0.000 1.380 258 L HN -0.217 nan 8.230 nan 0.000 0.415 259 L N 5.368 126.548 121.223 -0.072 0.000 2.333 259 L HA 0.618 4.960 4.340 0.004 0.000 0.280 259 L C -1.017 175.817 176.870 -0.059 0.000 1.004 259 L CA -0.590 54.211 54.840 -0.065 0.000 0.820 259 L CB 1.560 43.571 42.059 -0.081 0.000 1.247 259 L HN 0.612 nan 8.230 nan 0.000 0.416 263 I N -2.052 118.477 120.570 -0.067 0.000 3.889 263 I HA 0.638 4.810 4.170 0.004 0.000 0.332 263 I C 0.732 176.814 176.117 -0.057 0.000 1.493 263 I CA 0.183 61.450 61.300 -0.055 0.000 1.158 263 I CB 0.260 38.238 38.000 -0.037 0.000 1.117 263 I HN 1.085 nan 8.210 nan 0.000 0.411 264 G N 1.235 109.986 108.800 -0.081 0.000 2.422 264 G HA2 0.124 4.087 3.960 0.004 0.000 0.607 264 G HA3 0.124 4.087 3.960 0.004 0.000 0.607 264 G C -0.865 174.004 174.900 -0.052 0.000 1.270 264 G CA -0.457 44.599 45.100 -0.074 0.000 0.992 264 G HN 0.819 nan 8.290 nan 0.000 0.499 265 V N -2.735 117.160 119.914 -0.031 0.000 2.962 265 V HA 0.981 5.103 4.120 0.004 0.000 0.313 265 V C -0.080 176.012 176.094 -0.005 0.000 1.099 265 V CA -0.335 61.956 62.300 -0.016 0.000 0.971 265 V CB 1.761 33.581 31.823 -0.006 0.000 1.028 265 V HN 1.678 nan 8.190 nan 0.000 0.430 266 R N 2.502 123.000 120.500 -0.003 0.000 2.637 266 R HA 0.748 5.090 4.340 0.004 0.000 0.291 266 R C -2.992 173.308 176.300 0.000 0.000 0.963 266 R CA -1.870 54.229 56.100 -0.002 0.000 0.901 266 R CB 2.058 32.355 30.300 -0.005 0.000 1.160 266 R HN 0.510 nan 8.270 nan 0.000 0.457 267 P HA -0.067 nan 4.420 nan 0.000 0.267 267 P C -0.931 176.366 177.300 -0.005 0.000 1.200 267 P CA 0.220 63.319 63.100 -0.002 0.000 0.772 267 P CB 0.503 32.199 31.700 -0.005 0.000 0.855 268 E N 1.624 121.821 120.200 -0.006 0.000 2.052 268 E HA 0.106 4.459 4.350 0.004 0.000 0.283 268 E C 0.434 177.025 176.600 -0.015 0.000 1.071 268 E CA 0.306 56.701 56.400 -0.008 0.000 0.851 268 E CB 0.325 30.023 29.700 -0.004 0.000 1.066 268 E HN 0.468 nan 8.360 nan 0.000 0.396 269 T N -0.684 113.860 114.554 -0.017 0.000 3.043 269 T HA 0.000 4.353 4.350 0.004 0.000 0.272 269 T C 1.359 176.045 174.700 -0.024 0.000 0.990 269 T CA -0.303 61.784 62.100 -0.021 0.000 0.897 269 T CB 0.412 69.269 68.868 -0.018 0.000 1.111 269 T HN 0.098 nan 8.240 nan 0.000 0.529 270 Q N 1.441 121.227 119.800 -0.024 0.000 2.079 270 Q HA 0.190 4.533 4.340 0.004 0.000 0.200 270 Q C 1.989 177.970 176.000 -0.032 0.000 0.974 270 Q CA 1.371 57.158 55.803 -0.026 0.000 0.840 270 Q CB -0.660 28.064 28.738 -0.024 0.000 0.898 270 Q HN 0.570 nan 8.270 nan 0.000 0.430 271 L N -0.472 120.728 121.223 -0.039 0.000 2.083 271 L HA -0.135 4.208 4.340 0.004 0.000 0.209 271 L C 2.277 179.120 176.870 -0.045 0.000 1.083 271 L CA 1.053 55.864 54.840 -0.049 0.000 0.752 271 L CB -0.649 41.372 42.059 -0.063 0.000 0.899 271 L HN 0.327 nan 8.230 nan 0.000 0.433 272 A N 0.229 123.024 122.820 -0.041 0.000 1.872 272 A HA -0.174 4.149 4.320 0.004 0.000 0.214 272 A C 2.325 179.890 177.584 -0.031 0.000 1.187 272 A CA 1.156 53.170 52.037 -0.039 0.000 0.614 272 A CB -0.367 18.610 19.000 -0.038 0.000 0.826 272 A HN 0.297 nan 8.150 nan 0.000 0.442 273 R N 0.017 120.501 120.500 -0.027 0.000 2.073 273 R HA -0.129 4.214 4.340 0.004 0.000 0.234 273 R C 1.603 177.889 176.300 -0.023 0.000 1.134 273 R CA 1.553 57.639 56.100 -0.023 0.000 0.952 273 R CB -0.517 29.770 30.300 -0.021 0.000 0.850 273 R HN 0.428 nan 8.270 nan 0.000 0.433 274 D N 0.696 121.081 120.400 -0.025 0.000 2.190 274 D HA -0.148 4.495 4.640 0.004 0.000 0.200 274 D C 1.423 177.709 176.300 -0.023 0.000 0.992 274 D CA 1.595 55.581 54.000 -0.025 0.000 0.854 274 D CB -0.158 40.624 40.800 -0.029 0.000 0.936 274 D HN 0.324 nan 8.370 nan 0.000 0.462 275 A N -0.566 122.239 122.820 -0.025 0.000 2.251 275 A HA 0.453 4.776 4.320 0.004 0.000 0.209 275 A C 1.665 179.240 177.584 -0.015 0.000 1.187 275 A CA 0.828 52.855 52.037 -0.018 0.000 0.823 275 A CB -0.269 18.721 19.000 -0.017 0.000 0.846 275 A HN 0.235 nan 8.150 nan 0.000 0.486 276 G N -0.877 107.912 108.800 -0.018 0.000 2.147 276 G HA2 -0.201 3.761 3.960 0.004 0.000 0.244 276 G HA3 -0.201 3.761 3.960 0.004 0.000 0.244 276 G C -0.001 174.887 174.900 -0.020 0.000 1.005 276 G CA 0.292 45.382 45.100 -0.017 0.000 0.713 276 G HN 0.431 nan 8.290 nan 0.000 0.515 277 L N 0.360 121.568 121.223 -0.024 0.000 2.375 277 L HA 0.667 5.010 4.340 0.004 0.000 0.271 277 L C 1.263 178.116 176.870 -0.028 0.000 1.107 277 L CA -0.431 54.391 54.840 -0.030 0.000 0.806 277 L CB 1.271 43.308 42.059 -0.037 0.000 1.146 277 L HN 0.335 nan 8.230 nan 0.000 0.447 278 A N 3.705 126.508 122.820 -0.030 0.000 2.462 278 A HA 0.429 4.751 4.320 0.004 0.000 0.243 278 A C -0.288 177.281 177.584 -0.024 0.000 1.076 278 A CA -0.079 51.943 52.037 -0.025 0.000 0.773 278 A CB -0.024 18.960 19.000 -0.026 0.000 1.010 278 A HN 0.427 nan 8.150 nan 0.000 0.493 279 I N 1.608 122.166 120.570 -0.020 0.000 2.603 279 I HA 0.507 4.680 4.170 0.004 0.000 0.300 279 I C 0.994 177.102 176.117 -0.015 0.000 1.017 279 I CA -0.337 60.952 61.300 -0.018 0.000 1.098 279 I CB 1.137 39.127 38.000 -0.016 0.000 1.279 279 I HN 0.736 nan 8.210 nan 0.000 0.437 280 G N 3.305 112.098 108.800 -0.013 0.000 2.531 280 G HA2 0.353 4.316 3.960 0.004 0.000 0.313 280 G HA3 0.353 4.316 3.960 0.004 0.000 0.313 280 G C 0.489 175.384 174.900 -0.008 0.000 1.238 280 G CA -0.261 44.833 45.100 -0.010 0.000 0.994 280 G HN 0.636 nan 8.290 nan 0.000 0.493 281 E N -0.292 119.904 120.200 -0.007 0.000 2.478 281 E HA -0.063 4.290 4.350 0.004 0.000 0.198 281 E C 1.530 178.127 176.600 -0.006 0.000 1.046 281 E CA 0.178 56.574 56.400 -0.007 0.000 0.870 281 E CB 0.077 29.773 29.700 -0.006 0.000 0.818 281 E HN 0.135 nan 8.360 nan 0.000 0.527 282 L N -0.218 121.003 121.223 -0.004 0.000 2.592 282 L HA 0.204 4.547 4.340 0.004 0.000 0.227 282 L C 1.521 178.388 176.870 -0.004 0.000 1.127 282 L CA 0.773 55.611 54.840 -0.003 0.000 0.884 282 L CB -0.769 41.290 42.059 0.000 0.000 1.065 282 L HN 0.229 nan 8.230 nan 0.000 0.457 283 G N -0.890 107.906 108.800 -0.006 0.000 2.143 283 G HA2 -0.199 3.764 3.960 0.004 0.000 0.249 283 G HA3 -0.199 3.764 3.960 0.004 0.000 0.249 283 G C 0.671 175.566 174.900 -0.008 0.000 0.981 283 G CA 0.072 45.168 45.100 -0.008 0.000 0.665 283 G HN 0.651 nan 8.290 nan 0.000 0.528 284 G N -0.815 107.980 108.800 -0.008 0.000 2.461 284 G HA2 0.669 4.632 3.960 0.004 0.000 0.329 284 G HA3 0.669 4.632 3.960 0.004 0.000 0.329 284 G C 0.294 175.185 174.900 -0.015 0.000 1.170 284 G CA -1.026 44.068 45.100 -0.010 0.000 0.935 284 G HN 0.609 nan 8.290 nan 0.000 0.492 285 I N 0.285 120.844 120.570 -0.019 0.000 2.710 285 I HA 0.064 4.237 4.170 0.004 0.000 0.286 285 I C 0.765 176.867 176.117 -0.024 0.000 1.181 285 I CA 0.228 61.513 61.300 -0.025 0.000 1.430 285 I CB 0.845 38.827 38.000 -0.030 0.000 1.367 285 I HN 0.298 nan 8.210 nan 0.000 0.577 286 K N 6.808 127.192 120.400 -0.026 0.000 2.227 286 K HA 0.538 4.860 4.320 0.004 0.000 0.280 286 K C -0.923 175.658 176.600 -0.033 0.000 1.041 286 K CA -0.546 55.727 56.287 -0.024 0.000 0.905 286 K CB 0.992 33.479 32.500 -0.022 0.000 1.068 286 K HN 0.509 nan 8.250 nan 0.000 0.470 287 V N 1.313 121.211 119.914 -0.027 0.000 2.962 287 V HA 0.508 4.630 4.120 0.004 0.000 0.313 287 V C -0.557 175.527 176.094 -0.016 0.000 1.099 287 V CA -1.256 61.022 62.300 -0.036 0.000 0.971 287 V CB 1.555 33.356 31.823 -0.036 0.000 1.028 287 V HN 0.970 nan 8.190 nan 0.000 0.430 288 N N 2.813 121.498 118.700 -0.024 0.000 2.366 288 N HA 0.651 5.393 4.740 0.004 0.000 0.277 288 N C 0.196 175.730 175.510 0.040 0.000 1.275 288 N CA 0.187 53.238 53.050 0.002 0.000 0.964 288 N CB 0.741 39.218 38.487 -0.015 0.000 1.167 288 N HN 1.250 nan 8.380 nan 0.000 0.568 293 T N -0.763 113.645 114.554 -0.242 0.000 2.849 293 T HA 0.362 4.714 4.350 0.004 0.000 0.276 293 T C 1.393 176.022 174.700 -0.119 0.000 0.971 293 T CA 0.181 62.200 62.100 -0.136 0.000 0.949 293 T CB 1.000 69.806 68.868 -0.104 0.000 1.093 293 T HN 0.983 nan 8.240 nan 0.000 0.545 294 S N -0.659 114.994 115.700 -0.078 0.000 2.444 294 S HA -0.158 4.315 4.470 0.004 0.000 0.244 294 S C 0.577 175.139 174.600 -0.063 0.000 1.025 294 S CA 1.199 59.362 58.200 -0.061 0.000 0.995 294 S CB -0.748 62.427 63.200 -0.042 0.000 0.781 294 S HN 0.880 nan 8.310 nan 0.000 0.496 295 D N 1.945 122.302 120.400 -0.072 0.000 2.349 295 D HA 0.327 4.970 4.640 0.004 0.000 0.232 295 D C -1.887 174.357 176.300 -0.094 0.000 1.071 295 D CA -2.581 51.386 54.000 -0.055 0.000 0.832 295 D CB 1.994 42.781 40.800 -0.022 0.000 1.086 295 D HN -0.021 nan 8.370 nan 0.000 0.504 296 P HA -0.062 nan 4.420 nan 0.000 0.222 296 P C 0.895 178.134 177.300 -0.102 0.000 1.147 296 P CA 0.614 63.638 63.100 -0.127 0.000 0.790 296 P CB 0.182 31.844 31.700 -0.064 0.000 0.780 297 A N -0.836 121.984 122.820 0.000 0.000 2.167 297 A HA 0.076 4.399 4.320 0.004 0.000 0.214 297 A C 1.221 178.876 177.584 0.118 0.000 1.151 297 A CA 0.446 52.549 52.037 0.111 0.000 0.735 297 A CB -0.836 18.268 19.000 0.174 0.000 0.802 297 A HN 0.186 nan 8.150 nan 0.000 0.467 298 I N -0.395 120.163 120.570 -0.020 0.000 2.389 298 I HA 0.393 4.565 4.170 0.004 0.000 0.288 298 I C -1.061 174.964 176.117 -0.152 0.000 0.999 298 I CA -0.795 60.481 61.300 -0.041 0.000 1.129 298 I CB 1.355 39.312 38.000 -0.070 0.000 1.288 298 I HN 0.099 nan 8.210 nan 0.000 0.444 299 Y N 4.232 124.493 120.300 -0.064 0.000 2.453 299 Y HA 0.806 5.359 4.550 0.004 0.000 0.326 299 Y C 0.376 176.238 175.900 -0.063 0.000 1.186 299 Y CA -0.661 57.407 58.100 -0.054 0.000 1.200 299 Y CB 1.890 40.321 38.460 -0.048 0.000 1.247 299 Y HN 0.599 nan 8.280 nan 0.000 0.482 300 A N 1.173 124.035 122.820 0.070 0.000 2.574 300 A HA 0.860 5.182 4.320 0.004 0.000 0.297 300 A C -1.364 176.221 177.584 0.002 0.000 1.062 300 A CA -0.379 51.669 52.037 0.018 0.000 0.686 300 A CB 1.370 20.357 19.000 -0.022 0.000 1.285 300 A HN 1.143 nan 8.150 nan 0.000 0.403 301 V N -1.442 118.459 119.914 -0.022 0.000 3.258 301 V HA 0.973 5.096 4.120 0.004 0.000 0.299 301 V C 0.229 176.288 176.094 -0.059 0.000 1.376 301 V CA 0.503 62.769 62.300 -0.058 0.000 1.063 301 V CB 0.902 32.685 31.823 -0.067 0.000 1.103 301 V HN 3.036 nan 8.190 nan 0.000 0.451 302 G N 1.369 110.121 108.800 -0.081 0.000 2.587 302 G HA2 -0.110 3.852 3.960 0.004 0.000 0.212 302 G HA3 -0.110 3.852 3.960 0.004 0.000 0.212 302 G C -0.011 174.866 174.900 -0.040 0.000 1.327 302 G CA 0.572 45.636 45.100 -0.059 0.000 0.898 302 G HN 1.245 nan 8.290 nan 0.000 0.551 303 D N 0.168 120.556 120.400 -0.020 0.000 2.149 303 D HA -0.108 4.535 4.640 0.004 0.000 0.194 303 D C 2.760 179.056 176.300 -0.007 0.000 1.001 303 D CA 2.644 56.643 54.000 -0.002 0.000 0.849 303 D CB -0.717 40.090 40.800 0.012 0.000 0.939 303 D HN 1.078 nan 8.370 nan 0.000 0.449 304 A N 0.520 123.332 122.820 -0.013 0.000 2.131 304 A HA 0.002 4.324 4.320 0.004 0.000 0.220 304 A C 1.306 178.879 177.584 -0.019 0.000 1.158 304 A CA 1.013 53.041 52.037 -0.015 0.000 0.665 304 A CB -0.418 18.572 19.000 -0.017 0.000 0.795 304 A HN 0.210 nan 8.150 nan 0.000 0.460 305 V N -3.222 116.677 119.914 -0.026 0.000 2.850 305 V HA 0.586 4.708 4.120 0.004 0.000 0.315 305 V C -0.425 175.658 176.094 -0.020 0.000 1.064 305 V CA -1.229 61.054 62.300 -0.029 0.000 0.979 305 V CB 1.525 33.321 31.823 -0.044 0.000 1.039 305 V HN 0.309 nan 8.190 nan 0.000 0.452 306 E N 1.098 121.290 120.200 -0.013 0.000 2.266 306 E HA 0.491 4.844 4.350 0.004 0.000 0.277 306 E C -0.726 175.880 176.600 0.010 0.000 1.018 306 E CA -0.368 56.032 56.400 0.001 0.000 0.840 306 E CB 1.575 31.276 29.700 0.002 0.000 1.082 306 E HN 0.843 nan 8.360 nan 0.000 0.395 307 E N 1.223 121.443 120.200 0.032 0.000 2.299 307 E HA 0.187 4.540 4.350 0.004 0.000 0.260 307 E C -0.831 175.821 176.600 0.087 0.000 0.944 307 E CA -0.823 55.620 56.400 0.073 0.000 0.815 307 E CB 1.190 30.958 29.700 0.113 0.000 1.252 307 E HN 0.282 nan 8.360 nan 0.000 0.418 308 Q N 1.520 121.393 119.800 0.121 0.000 2.286 308 Q HA 0.036 4.378 4.340 0.004 0.000 0.267 308 Q C -0.922 175.146 176.000 0.112 0.000 1.028 308 Q CA 0.095 55.956 55.803 0.096 0.000 0.901 308 Q CB 0.735 29.526 28.738 0.088 0.000 1.183 308 Q HN 0.493 nan 8.270 nan 0.000 0.392 309 D N 1.451 121.897 120.400 0.077 0.000 2.450 309 D HA -0.083 4.560 4.640 0.004 0.000 0.247 309 D C 0.508 176.868 176.300 0.100 0.000 1.162 309 D CA 0.065 54.119 54.000 0.090 0.000 0.879 309 D CB 0.410 41.241 40.800 0.051 0.000 1.163 309 D HN 0.470 nan 8.370 nan 0.000 0.472 310 F N 3.760 123.717 119.950 0.012 0.000 2.102 310 F HA -0.172 4.358 4.527 0.005 0.000 0.298 310 F C 1.757 177.565 175.800 0.014 0.000 1.105 310 F CA 1.238 59.238 58.000 -0.001 0.000 1.239 310 F CB -0.011 38.982 39.000 -0.011 0.000 0.991 310 F HN 0.349 nan 8.300 nan 0.000 0.474 311 V N -0.089 119.987 119.914 0.271 0.000 2.261 311 V HA -0.293 3.830 4.120 0.004 0.000 0.246 311 V C 2.442 178.553 176.094 0.027 0.000 1.047 311 V CA 2.458 64.867 62.300 0.182 0.000 1.015 311 V CB -1.218 30.722 31.823 0.194 0.000 0.642 311 V HN 0.634 nan 8.190 nan 0.000 0.446 312 T N -3.617 110.936 114.554 -0.002 0.000 3.015 312 T HA 0.342 4.695 4.350 0.004 0.000 0.250 312 T C 1.573 176.249 174.700 -0.041 0.000 1.057 312 T CA 1.131 63.210 62.100 -0.035 0.000 1.066 312 T CB 0.876 69.715 68.868 -0.049 0.000 0.959 312 T HN 1.044 nan 8.240 nan 0.000 0.488 313 G N 1.055 109.832 108.800 -0.039 0.000 2.179 313 G HA2 -0.208 3.755 3.960 0.004 0.000 0.260 313 G HA3 -0.208 3.755 3.960 0.004 0.000 0.260 313 G C -0.003 174.888 174.900 -0.015 0.000 0.977 313 G CA 0.103 45.180 45.100 -0.039 0.000 0.641 313 G HN 0.653 nan 8.290 nan 0.000 0.533 314 Q N 0.079 119.874 119.800 -0.008 0.000 2.212 314 Q HA 0.683 5.026 4.340 0.004 0.000 0.238 314 Q C 0.740 176.746 176.000 0.010 0.000 0.955 314 Q CA 0.170 55.971 55.803 -0.004 0.000 0.906 314 Q CB 1.327 30.058 28.738 -0.012 0.000 1.215 314 Q HN 0.827 nan 8.270 nan 0.000 0.478 315 A N 0.754 123.580 122.820 0.009 0.000 2.498 315 A HA 0.345 4.668 4.320 0.004 0.000 0.239 315 A C 0.284 177.878 177.584 0.017 0.000 1.068 315 A CA -0.127 51.919 52.037 0.016 0.000 0.766 315 A CB -0.325 18.680 19.000 0.009 0.000 1.003 315 A HN 0.818 nan 8.150 nan 0.000 0.497 316 C N 0.785 120.101 119.300 0.028 0.000 3.173 316 C HA 0.774 5.237 4.460 0.004 0.000 0.310 316 C C -0.823 174.185 174.990 0.030 0.000 1.306 316 C CA -1.077 57.957 59.018 0.028 0.000 1.426 316 C CB 0.173 27.934 27.740 0.036 0.000 1.800 316 C HN 0.784 nan 8.230 nan 0.000 0.470 317 L N 2.157 123.395 121.223 0.027 0.000 2.287 317 L HA 0.732 5.074 4.340 0.004 0.000 0.287 317 L C -0.717 176.177 176.870 0.039 0.000 1.022 317 L CA -0.417 54.440 54.840 0.028 0.000 0.814 317 L CB 1.792 43.865 42.059 0.022 0.000 1.217 317 L HN 0.685 nan 8.230 nan 0.000 0.420 318 V N 3.968 123.908 119.914 0.042 0.000 2.538 318 V HA 0.228 4.351 4.120 0.004 0.000 0.265 318 V C -2.250 173.875 176.094 0.050 0.000 0.977 318 V CA -1.005 61.327 62.300 0.052 0.000 0.852 318 V CB 1.330 33.184 31.823 0.052 0.000 1.058 318 V HN 0.608 nan 8.190 nan 0.000 0.462 319 P HA 0.424 nan 4.420 nan 0.000 0.238 319 P C -0.644 176.712 177.300 0.093 0.000 1.794 319 P CA 0.144 63.290 63.100 0.077 0.000 1.088 319 P CB 0.367 32.125 31.700 0.097 0.000 1.923 320 L N 0.668 121.912 121.223 0.034 0.000 2.301 320 L HA 0.704 5.047 4.340 0.004 0.000 0.264 320 L C 1.450 178.310 176.870 -0.017 0.000 1.016 320 L CA -1.006 53.828 54.840 -0.010 0.000 0.821 320 L CB 1.547 43.573 42.059 -0.055 0.000 1.346 320 L HN -0.025 nan 8.230 nan 0.000 0.429 321 A N 0.834 123.633 122.820 -0.034 0.000 1.887 321 A HA 0.112 4.435 4.320 0.004 0.000 0.212 321 A C 1.977 179.543 177.584 -0.029 0.000 1.198 321 A CA 1.166 53.183 52.037 -0.032 0.000 0.628 321 A CB -1.044 17.934 19.000 -0.037 0.000 0.847 321 A HN 0.945 nan 8.150 nan 0.000 0.449 322 G N 0.900 109.684 108.800 -0.027 0.000 2.681 322 G HA2 -0.272 3.690 3.960 0.004 0.000 0.220 322 G HA3 -0.272 3.690 3.960 0.004 0.000 0.220 322 G C -0.259 174.647 174.900 0.010 0.000 1.210 322 G CA 1.620 46.713 45.100 -0.011 0.000 0.783 322 G HN 0.485 nan 8.290 nan 0.000 0.609 323 P HA 0.042 nan 4.420 nan 0.000 0.217 323 P C 2.103 179.382 177.300 -0.035 0.000 1.150 323 P CA 1.856 64.977 63.100 0.035 0.000 0.832 323 P CB -0.183 31.547 31.700 0.049 0.000 0.787 324 A N -0.451 122.344 122.820 -0.041 0.000 1.930 324 A HA -0.184 4.138 4.320 0.004 0.000 0.217 324 A C 2.201 179.757 177.584 -0.047 0.000 1.175 324 A CA 1.449 53.450 52.037 -0.059 0.000 0.627 324 A CB -1.298 17.674 19.000 -0.047 0.000 0.815 324 A HN 0.151 nan 8.150 nan 0.000 0.443 325 N N -0.421 118.260 118.700 -0.031 0.000 2.106 325 N HA -0.122 4.620 4.740 0.004 0.000 0.188 325 N C 1.938 177.441 175.510 -0.012 0.000 1.029 325 N CA 1.282 54.318 53.050 -0.023 0.000 0.848 325 N CB -0.199 38.277 38.487 -0.018 0.000 1.007 325 N HN 0.471 nan 8.380 nan 0.000 0.423 326 R N 1.107 121.612 120.500 0.008 0.000 2.115 326 R HA -0.037 4.306 4.340 0.004 0.000 0.230 326 R C 2.190 178.508 176.300 0.030 0.000 1.111 326 R CA 0.860 56.982 56.100 0.037 0.000 0.976 326 R CB -0.094 30.257 30.300 0.084 0.000 0.870 326 R HN 0.375 nan 8.270 nan 0.000 0.445 327 Q N -0.440 119.341 119.800 -0.031 0.000 2.119 327 Q HA -0.078 4.264 4.340 0.004 0.000 0.201 327 Q C 2.214 178.184 176.000 -0.049 0.000 0.972 327 Q CA 1.408 57.157 55.803 -0.089 0.000 0.847 327 Q CB -0.124 28.494 28.738 -0.201 0.000 0.903 327 Q HN 0.472 nan 8.270 nan 0.000 0.433 328 G N 1.241 110.015 108.800 -0.044 0.000 2.402 328 G HA2 -0.208 3.755 3.960 0.004 0.000 0.216 328 G HA3 -0.208 3.755 3.960 0.004 0.000 0.216 328 G C 0.816 175.697 174.900 -0.031 0.000 1.162 328 G CA 0.037 45.114 45.100 -0.039 0.000 0.777 328 G HN 0.186 nan 8.290 nan 0.000 0.539 332 A N 1.045 123.804 122.820 -0.100 0.000 1.859 332 A HA -0.172 4.151 4.320 0.004 0.000 0.217 332 A C 1.569 179.215 177.584 0.103 0.000 1.198 332 A CA 2.506 54.547 52.037 0.007 0.000 0.629 332 A CB -0.983 18.042 19.000 0.042 0.000 0.830 332 A HN 0.507 nan 8.150 nan 0.000 0.446 333 D N 0.409 120.847 120.400 0.064 0.000 2.268 333 D HA -0.161 4.482 4.640 0.004 0.000 0.189 333 D C 0.842 177.192 176.300 0.082 0.000 1.010 333 D CA 1.485 55.535 54.000 0.084 0.000 0.862 333 D CB -0.689 40.139 40.800 0.047 0.000 0.943 333 D HN 0.442 nan 8.370 nan 0.000 0.451 337 G N 0.658 109.508 108.800 0.082 0.000 2.162 337 G HA2 -0.352 3.611 3.960 0.004 0.000 0.260 337 G HA3 -0.352 3.611 3.960 0.004 0.000 0.260 337 G C 1.219 176.171 174.900 0.088 0.000 0.976 337 G CA 0.549 45.700 45.100 0.085 0.000 0.655 337 G HN 0.432 nan 8.290 nan 0.000 0.533 338 R N 0.324 120.880 120.500 0.094 0.000 2.237 338 R HA 0.157 4.500 4.340 0.004 0.000 0.219 338 R C 1.107 177.449 176.300 0.070 0.000 1.080 338 R CA 0.744 56.888 56.100 0.075 0.000 0.995 338 R CB -0.175 30.167 30.300 0.070 0.000 0.875 338 R HN 0.627 nan 8.270 nan 0.000 0.462 339 E N 0.822 121.071 120.200 0.082 0.000 2.389 339 E HA -0.194 4.159 4.350 0.004 0.000 0.243 339 E C -1.105 175.541 176.600 0.077 0.000 1.154 339 E CA 0.440 56.889 56.400 0.083 0.000 0.723 339 E CB -0.943 28.796 29.700 0.066 0.000 1.261 339 E HN 0.452 nan 8.360 nan 0.000 0.390 340 E N 0.474 120.724 120.200 0.085 0.000 2.283 340 E HA 0.289 4.641 4.350 0.004 0.000 0.278 340 E C 0.057 176.718 176.600 0.101 0.000 1.027 340 E CA -0.283 56.166 56.400 0.081 0.000 0.843 340 E CB 0.972 30.717 29.700 0.076 0.000 1.062 340 E HN 0.108 nan 8.360 nan 0.000 0.401 341 R N 2.241 122.795 120.500 0.090 0.000 2.346 341 R HA 0.199 4.541 4.340 0.004 0.000 0.311 341 R C -0.813 175.567 176.300 0.134 0.000 0.983 341 R CA -0.757 55.408 56.100 0.108 0.000 0.880 341 R CB 0.948 31.288 30.300 0.068 0.000 1.100 341 R HN 0.506 nan 8.270 nan 0.000 0.453 342 Y N 1.822 122.152 120.300 0.049 0.000 2.304 342 Y HA 0.004 4.557 4.550 0.004 0.000 0.327 342 Y C 0.483 176.417 175.900 0.056 0.000 1.209 342 Y CA 0.141 58.271 58.100 0.051 0.000 1.299 342 Y CB 1.061 39.551 38.460 0.050 0.000 1.249 342 Y HN 0.448 nan 8.280 nan 0.000 0.519 343 Q N 4.547 123.910 119.800 -0.728 0.000 2.189 343 Q HA 0.286 4.629 4.340 0.004 0.000 0.221 343 Q C 0.377 176.190 176.000 -0.313 0.000 0.848 343 Q CA 0.453 56.041 55.803 -0.359 0.000 1.007 343 Q CB 0.272 28.898 28.738 -0.187 0.000 1.116 343 Q HN 1.016 nan 8.270 nan 0.000 0.481 344 G N 0.785 109.302 108.800 -0.471 0.000 2.787 344 G HA2 -0.196 3.766 3.960 0.004 0.000 0.685 344 G HA3 -0.196 3.766 3.960 0.004 0.000 0.685 344 G C -0.557 174.362 174.900 0.033 0.000 1.437 344 G CA -0.519 44.548 45.100 -0.054 0.000 0.872 344 G HN 0.125 nan 8.290 nan 0.000 0.566 345 T N 1.049 115.741 114.554 0.229 0.000 2.807 345 T HA 0.581 4.933 4.350 0.004 0.000 0.279 345 T C 1.202 175.994 174.700 0.152 0.000 0.993 345 T CA -0.340 61.886 62.100 0.211 0.000 0.970 345 T CB 1.979 70.989 68.868 0.238 0.000 0.950 345 T HN 0.609 nan 8.240 nan 0.000 0.441 346 Q N 1.320 121.151 119.800 0.051 0.000 2.396 346 Q HA 0.270 4.613 4.340 0.004 0.000 0.209 346 Q C 1.430 177.436 176.000 0.009 0.000 0.906 346 Q CA 0.174 55.976 55.803 -0.002 0.000 0.927 346 Q CB 0.482 29.132 28.738 -0.148 0.000 1.069 346 Q HN 1.077 nan 8.270 nan 0.000 0.523 347 G N 1.969 110.779 108.800 0.017 0.000 2.225 347 G HA2 -0.236 3.726 3.960 0.004 0.000 0.264 347 G HA3 -0.236 3.726 3.960 0.004 0.000 0.264 347 G C -0.096 174.791 174.900 -0.022 0.000 1.060 347 G CA 0.238 45.342 45.100 0.007 0.000 0.833 347 G HN 0.234 nan 8.290 nan 0.000 0.498 348 T N 0.561 115.093 114.554 -0.037 0.000 2.853 348 T HA 0.564 4.916 4.350 0.004 0.000 0.298 348 T C 0.643 175.304 174.700 -0.066 0.000 0.978 348 T CA 1.055 63.124 62.100 -0.052 0.000 1.152 348 T CB 1.464 70.296 68.868 -0.060 0.000 0.914 348 T HN 1.676 nan 8.240 nan 0.000 0.539 349 A N 3.370 126.146 122.820 -0.073 0.000 2.594 349 A HA 0.907 5.230 4.320 0.004 0.000 0.291 349 A C -1.288 176.241 177.584 -0.091 0.000 1.105 349 A CA -0.804 51.167 52.037 -0.111 0.000 0.694 349 A CB 1.560 20.479 19.000 -0.136 0.000 1.291 349 A HN 0.832 nan 8.150 nan 0.000 0.410 350 I N -0.616 119.883 120.570 -0.118 0.000 2.842 350 I HA 0.593 4.766 4.170 0.004 0.000 0.297 350 I C -1.607 174.464 176.117 -0.076 0.000 1.380 350 I CA -0.301 60.955 61.300 -0.073 0.000 1.018 350 I CB 1.921 39.888 38.000 -0.055 0.000 1.311 350 I HN 1.043 nan 8.210 nan 0.000 0.439 351 C N 6.542 125.830 119.300 -0.021 0.000 2.880 351 C HA 0.497 4.960 4.460 0.004 0.000 0.320 351 C C -1.092 173.917 174.990 0.032 0.000 1.176 351 C CA -0.713 58.318 59.018 0.021 0.000 1.390 351 C CB 1.833 29.613 27.740 0.067 0.000 1.846 351 C HN 0.881 nan 8.230 nan 0.000 0.478 352 K N 3.492 123.924 120.400 0.053 0.000 2.234 352 K HA 0.667 4.990 4.320 0.004 0.000 0.282 352 K C -1.250 175.345 176.600 -0.008 0.000 1.039 352 K CA -0.233 56.078 56.287 0.041 0.000 0.928 352 K CB 1.023 33.575 32.500 0.086 0.000 1.039 352 K HN 0.604 nan 8.250 nan 0.000 0.470 353 V N 7.232 127.139 119.914 -0.011 0.000 2.443 353 V HA 0.168 4.291 4.120 0.004 0.000 0.272 353 V C -0.162 175.966 176.094 0.056 0.000 1.002 353 V CA -0.646 61.620 62.300 -0.057 0.000 0.840 353 V CB -0.387 31.450 31.823 0.023 0.000 1.042 353 V HN 0.987 nan 8.190 nan 0.000 0.446 354 F N 1.159 121.133 119.950 0.040 0.000 2.797 354 F HA -0.381 4.150 4.527 0.007 0.000 0.230 354 F C 1.813 177.637 175.800 0.041 0.000 1.480 354 F CA 2.244 60.264 58.000 0.035 0.000 1.923 354 F CB -0.964 38.035 39.000 -0.001 0.000 0.481 354 F HN 0.482 nan 8.300 nan 0.000 0.259 355 D N 0.329 120.875 120.400 0.243 0.000 2.347 355 D HA 0.114 4.756 4.640 0.004 0.000 0.213 355 D C 0.706 177.056 176.300 0.084 0.000 0.985 355 D CA 0.575 54.654 54.000 0.131 0.000 0.879 355 D CB -0.015 40.845 40.800 0.100 0.000 0.919 355 D HN -0.107 nan 8.370 nan 0.000 0.526 356 L N 0.566 121.843 121.223 0.089 0.000 2.439 356 L HA 0.494 4.837 4.340 0.004 0.000 0.259 356 L C 0.302 177.191 176.870 0.032 0.000 1.129 356 L CA -1.094 53.773 54.840 0.045 0.000 0.803 356 L CB 1.048 43.142 42.059 0.058 0.000 1.161 356 L HN -0.179 nan 8.230 nan 0.000 0.462 357 A N 1.278 124.103 122.820 0.008 0.000 2.374 357 A HA 0.787 5.109 4.320 0.004 0.000 0.317 357 A C -1.293 176.290 177.584 -0.002 0.000 1.094 357 A CA -0.506 51.535 52.037 0.006 0.000 0.765 357 A CB 1.542 20.541 19.000 -0.001 0.000 1.268 357 A HN 0.349 nan 8.150 nan 0.000 0.438 358 V N 1.346 121.263 119.914 0.004 0.000 2.448 358 V HA 0.766 4.888 4.120 0.004 0.000 0.295 358 V C 0.564 176.655 176.094 -0.005 0.000 1.025 358 V CA 0.112 62.413 62.300 0.001 0.000 0.859 358 V CB 1.486 33.319 31.823 0.016 0.000 0.988 358 V HN 1.285 nan 8.190 nan 0.000 0.431 359 G N 2.756 111.550 108.800 -0.011 0.000 2.612 359 G HA2 0.916 4.879 3.960 0.004 0.000 0.298 359 G HA3 0.916 4.879 3.960 0.004 0.000 0.298 359 G C -1.151 173.733 174.900 -0.026 0.000 1.336 359 G CA -0.205 44.884 45.100 -0.018 0.000 0.953 359 G HN 1.213 nan 8.290 nan 0.000 0.482 360 A N -0.124 122.676 122.820 -0.033 0.000 2.608 360 A HA 0.902 5.225 4.320 0.004 0.000 0.292 360 A C -0.766 176.793 177.584 -0.042 0.000 1.066 360 A CA -0.213 51.798 52.037 -0.044 0.000 0.676 360 A CB 1.797 20.773 19.000 -0.040 0.000 1.277 360 A HN 1.473 nan 8.150 nan 0.000 0.413 361 T N -0.545 113.982 114.554 -0.045 0.000 2.868 361 T HA 0.739 5.091 4.350 0.004 0.000 0.306 361 T C 0.444 175.126 174.700 -0.030 0.000 1.224 361 T CA 1.287 63.362 62.100 -0.041 0.000 1.012 361 T CB 1.065 69.905 68.868 -0.048 0.000 1.221 361 T HN 2.849 nan 8.240 nan 0.000 0.499 362 G N 3.372 112.163 108.800 -0.015 0.000 2.525 362 G HA2 -0.110 3.852 3.960 0.004 0.000 0.248 362 G HA3 -0.110 3.852 3.960 0.004 0.000 0.248 362 G C -1.049 173.858 174.900 0.011 0.000 1.238 362 G CA -0.130 44.985 45.100 0.025 0.000 0.926 362 G HN 0.844 nan 8.290 nan 0.000 0.574 363 K N 1.589 121.996 120.400 0.011 0.000 2.164 363 K HA 0.449 4.772 4.320 0.004 0.000 0.258 363 K C 0.365 176.912 176.600 -0.089 0.000 0.951 363 K CA -0.362 55.895 56.287 -0.050 0.000 0.844 363 K CB 1.743 34.184 32.500 -0.098 0.000 1.099 363 K HN 0.823 nan 8.250 nan 0.000 0.435 364 N N -0.289 118.344 118.700 -0.111 0.000 2.476 364 N HA -0.006 4.737 4.740 0.004 0.000 0.287 364 N C 0.800 176.164 175.510 -0.245 0.000 1.262 364 N CA -0.474 52.492 53.050 -0.140 0.000 0.980 364 N CB 0.556 38.991 38.487 -0.087 0.000 1.163 364 N HN 0.681 nan 8.380 nan 0.000 0.592 365 E N -0.258 119.778 120.200 -0.274 0.000 2.106 365 E HA -0.186 4.167 4.350 0.004 0.000 0.192 365 E C 1.005 177.436 176.600 -0.281 0.000 0.984 365 E CA 1.056 57.194 56.400 -0.438 0.000 0.806 365 E CB 0.004 29.533 29.700 -0.285 0.000 0.750 365 E HN 0.575 nan 8.360 nan 0.000 0.458 366 K N 0.222 120.538 120.400 -0.139 0.000 2.063 366 K HA -0.199 4.124 4.320 0.004 0.000 0.208 366 K C 2.379 178.921 176.600 -0.097 0.000 1.048 366 K CA 1.857 58.096 56.287 -0.080 0.000 0.928 366 K CB -0.128 32.348 32.500 -0.039 0.000 0.713 366 K HN 0.198 nan 8.250 nan 0.000 0.442 367 Q N 0.563 120.289 119.800 -0.123 0.000 2.123 367 Q HA -0.026 4.317 4.340 0.004 0.000 0.199 367 Q C 2.175 178.075 176.000 -0.166 0.000 0.966 367 Q CA 0.911 56.643 55.803 -0.118 0.000 0.845 367 Q CB -0.015 28.656 28.738 -0.111 0.000 0.907 367 Q HN 0.263 nan 8.270 nan 0.000 0.439 368 L N 0.530 121.591 121.223 -0.269 0.000 2.027 368 L HA -0.178 4.164 4.340 0.004 0.000 0.206 368 L C 2.267 179.059 176.870 -0.131 0.000 1.074 368 L CA 1.201 55.856 54.840 -0.309 0.000 0.745 368 L CB -0.457 41.266 42.059 -0.561 0.000 0.898 368 L HN 0.088 nan 8.230 nan 0.000 0.433 369 K N 0.082 120.436 120.400 -0.077 0.000 2.044 369 K HA -0.298 4.025 4.320 0.004 0.000 0.210 369 K C 2.186 178.795 176.600 0.015 0.000 1.049 369 K CA 1.993 58.322 56.287 0.071 0.000 0.927 369 K CB -0.273 32.283 32.500 0.094 0.000 0.713 369 K HN 0.361 nan 8.250 nan 0.000 0.443 370 Q N 0.434 120.220 119.800 -0.023 0.000 2.224 370 Q HA -0.090 4.252 4.340 0.004 0.000 0.203 370 Q C 1.412 177.394 176.000 -0.030 0.000 0.970 370 Q CA 1.296 57.085 55.803 -0.023 0.000 0.865 370 Q CB 0.037 28.758 28.738 -0.028 0.000 0.922 370 Q HN 0.302 nan 8.270 nan 0.000 0.445 371 A N -0.160 122.629 122.820 -0.051 0.000 2.307 371 A HA 0.341 4.664 4.320 0.004 0.000 0.218 371 A C 1.301 178.861 177.584 -0.040 0.000 1.228 371 A CA 0.536 52.542 52.037 -0.053 0.000 0.857 371 A CB -0.438 18.513 19.000 -0.080 0.000 0.897 371 A HN 0.578 nan 8.150 nan 0.000 0.495 372 G N -0.156 108.633 108.800 -0.018 0.000 2.258 372 G HA2 -0.264 3.698 3.960 0.004 0.000 0.274 372 G HA3 -0.264 3.698 3.960 0.004 0.000 0.274 372 G C 0.059 174.958 174.900 -0.001 0.000 1.021 372 G CA 0.573 45.674 45.100 0.001 0.000 0.798 372 G HN 0.527 nan 8.290 nan 0.000 0.507 373 I N 1.370 121.923 120.570 -0.029 0.000 2.379 373 I HA 0.461 4.634 4.170 0.004 0.000 0.290 373 I C 1.188 177.366 176.117 0.101 0.000 1.063 373 I CA -0.039 61.231 61.300 -0.050 0.000 1.351 373 I CB 1.079 38.904 38.000 -0.292 0.000 1.410 373 I HN 0.348 nan 8.210 nan 0.000 0.505 374 A N 7.649 130.538 122.820 0.115 0.000 2.483 374 A HA 0.529 4.851 4.320 0.004 0.000 0.238 374 A C -0.420 177.344 177.584 0.299 0.000 1.070 374 A CA 0.330 52.435 52.037 0.114 0.000 0.770 374 A CB -0.002 19.030 19.000 0.054 0.000 1.008 374 A HN 0.700 nan 8.150 nan 0.000 0.497 375 F N -0.971 119.017 119.950 0.063 0.000 2.773 375 F HA 0.809 5.339 4.527 0.004 0.000 0.314 375 F C -0.986 174.727 175.800 -0.144 0.000 1.160 375 F CA -0.947 57.099 58.000 0.077 0.000 0.920 375 F CB 1.129 40.214 39.000 0.142 0.000 1.323 375 F HN 0.621 nan 8.300 nan 0.000 0.457 376 E N 1.522 121.551 120.200 -0.285 0.000 2.423 376 E HA 0.611 4.964 4.350 0.004 0.000 0.269 376 E C -1.949 174.361 176.600 -0.483 0.000 0.948 376 E CA -0.865 55.245 56.400 -0.482 0.000 0.802 376 E CB 2.136 31.491 29.700 -0.574 0.000 1.339 376 E HN 0.821 nan 8.360 nan 0.000 0.445 377 K N 1.224 121.487 120.400 -0.228 0.000 2.527 377 K HA 0.630 4.953 4.320 0.004 0.000 0.260 377 K C -1.953 174.687 176.600 0.066 0.000 0.937 377 K CA -0.764 55.472 56.287 -0.084 0.000 0.826 377 K CB 2.043 34.467 32.500 -0.126 0.000 1.359 377 K HN 0.362 nan 8.250 nan 0.000 0.434 378 V N 3.587 123.499 119.914 -0.003 0.000 2.876 378 V HA 0.582 4.705 4.120 0.004 0.000 0.312 378 V C -1.825 174.087 176.094 -0.303 0.000 1.085 378 V CA -0.636 61.667 62.300 0.004 0.000 0.945 378 V CB 1.909 33.846 31.823 0.191 0.000 1.017 378 V HN 0.770 nan 8.190 nan 0.000 0.428 379 Y N 3.563 123.956 120.300 0.156 0.000 2.485 379 Y HA 0.781 5.334 4.550 0.005 0.000 0.345 379 Y C 0.082 175.971 175.900 -0.018 0.000 0.998 379 Y CA -0.854 57.271 58.100 0.042 0.000 1.059 379 Y CB 2.124 40.614 38.460 0.050 0.000 1.234 379 Y HN 0.545 nan 8.280 nan 0.000 0.461 380 V N -1.284 118.643 119.914 0.022 0.000 3.141 380 V HA 0.661 4.784 4.120 0.004 0.000 0.312 380 V C -1.225 174.618 176.094 -0.417 0.000 1.157 380 V CA -0.775 61.471 62.300 -0.091 0.000 1.041 380 V CB 2.622 34.457 31.823 0.019 0.000 1.071 380 V HN 0.835 nan 8.190 nan 0.000 0.441 381 H N 1.051 120.186 119.070 0.109 0.000 2.852 381 H HA 0.563 5.122 4.556 0.005 0.000 0.274 381 H C -0.826 174.510 175.328 0.012 0.000 1.321 381 H CA 0.116 56.190 56.048 0.044 0.000 1.582 381 H CB 1.461 31.258 29.762 0.057 0.000 1.699 381 H HN 0.978 nan 8.280 nan 0.000 0.546 382 T N 0.869 115.445 114.554 0.037 0.000 2.879 382 T HA 0.610 4.962 4.350 0.004 0.000 0.290 382 T C -0.005 174.663 174.700 -0.054 0.000 0.993 382 T CA -0.475 61.617 62.100 -0.013 0.000 0.975 382 T CB 0.908 69.745 68.868 -0.052 0.000 0.981 382 T HN 0.588 nan 8.240 nan 0.000 0.439 383 A N 3.694 126.478 122.820 -0.060 0.000 2.591 383 A HA 0.279 4.602 4.320 0.004 0.000 0.244 383 A C 1.762 179.266 177.584 -0.134 0.000 1.031 383 A CA 0.615 52.588 52.037 -0.106 0.000 0.767 383 A CB -0.270 18.670 19.000 -0.101 0.000 0.942 383 A HN 1.554 nan 8.150 nan 0.000 0.514 384 S N 2.032 117.630 115.700 -0.170 0.000 2.440 384 S HA -0.110 4.363 4.470 0.004 0.000 0.238 384 S C 0.741 175.290 174.600 -0.086 0.000 1.010 384 S CA 1.427 59.540 58.200 -0.145 0.000 0.972 384 S CB -0.723 62.388 63.200 -0.149 0.000 0.774 384 S HN 1.128 nan 8.310 nan 0.000 0.501 385 H N -2.120 116.911 119.070 -0.065 0.000 2.948 385 H HA 0.658 5.217 4.556 0.004 0.000 0.315 385 H C -0.364 174.885 175.328 -0.131 0.000 1.360 385 H CA -1.031 54.967 56.048 -0.084 0.000 1.125 385 H CB 0.905 30.624 29.762 -0.073 0.000 1.844 385 H HN 0.159 nan 8.280 nan 0.000 0.529 386 A N 0.812 123.664 122.820 0.054 0.000 2.622 386 A HA -0.088 4.235 4.320 0.004 0.000 0.235 386 A C 1.455 178.941 177.584 -0.163 0.000 1.013 386 A CA 0.964 52.875 52.037 -0.211 0.000 0.765 386 A CB -0.078 18.558 19.000 -0.606 0.000 0.921 386 A HN 0.768 nan 8.150 nan 0.000 0.506 387 S N 1.560 117.164 115.700 -0.160 0.000 2.470 387 S HA -0.069 4.404 4.470 0.004 0.000 0.225 387 S C 1.480 176.094 174.600 0.024 0.000 1.006 387 S CA 1.254 59.432 58.200 -0.037 0.000 0.934 387 S CB -0.462 62.746 63.200 0.014 0.000 0.778 387 S HN 1.043 nan 8.310 nan 0.000 0.517 388 Y N -0.245 120.142 120.300 0.145 0.000 2.583 388 Y HA 0.353 4.905 4.550 0.004 0.000 0.293 388 Y C 0.383 176.376 175.900 0.156 0.000 1.157 388 Y CA -0.872 57.301 58.100 0.122 0.000 1.315 388 Y CB -0.937 37.588 38.460 0.107 0.000 1.021 388 Y HN 0.331 nan 8.280 nan 0.000 0.536 389 Y N 4.649 124.879 120.300 -0.117 0.000 2.341 389 Y HA 0.504 5.057 4.550 0.005 0.000 0.337 389 Y C -2.406 173.541 175.900 0.078 0.000 1.014 389 Y CA -3.940 54.151 58.100 -0.015 0.000 1.111 389 Y CB 1.124 39.478 38.460 -0.176 0.000 1.194 389 Y HN -0.098 nan 8.280 nan 0.000 0.462 390 P HA 0.090 nan 4.420 nan 0.000 0.265 390 P C 0.499 177.924 177.300 0.208 0.000 1.187 390 P CA 1.616 64.700 63.100 -0.026 0.000 0.766 390 P CB 0.747 32.336 31.700 -0.185 0.000 0.820 391 G N 0.976 109.864 108.800 0.145 0.000 2.176 391 G HA2 -0.108 3.855 3.960 0.004 0.000 0.232 391 G HA3 -0.108 3.855 3.960 0.004 0.000 0.232 391 G C 0.385 175.277 174.900 -0.014 0.000 0.986 391 G CA 0.045 45.223 45.100 0.131 0.000 0.643 391 G HN 0.879 nan 8.290 nan 0.000 0.522 392 A N -0.142 122.565 122.820 -0.187 0.000 2.483 392 A HA 0.558 4.880 4.320 0.004 0.000 0.238 392 A C 0.415 177.844 177.584 -0.258 0.000 1.070 392 A CA 0.708 52.383 52.037 -0.602 0.000 0.770 392 A CB 0.342 19.074 19.000 -0.447 0.000 1.008 392 A HN 0.338 nan 8.150 nan 0.000 0.497 393 E N 0.846 120.905 120.200 -0.234 0.000 2.340 393 E HA 0.374 4.727 4.350 0.004 0.000 0.273 393 E C -1.074 175.453 176.600 -0.120 0.000 0.891 393 E CA -0.804 55.518 56.400 -0.130 0.000 0.757 393 E CB 1.862 31.503 29.700 -0.099 0.000 1.231 393 E HN 0.330 nan 8.360 nan 0.000 0.439 394 V N 1.921 121.779 119.914 -0.092 0.000 2.485 394 V HA 0.065 4.187 4.120 0.004 0.000 0.287 394 V C 0.169 176.199 176.094 -0.105 0.000 1.022 394 V CA -0.229 62.023 62.300 -0.079 0.000 1.067 394 V CB 0.708 32.488 31.823 -0.072 0.000 0.967 394 V HN 0.333 nan 8.190 nan 0.000 0.479 395 V N 5.043 124.908 119.914 -0.082 0.000 2.333 395 V HA 0.260 4.383 4.120 0.004 0.000 0.274 395 V C 0.420 176.490 176.094 -0.039 0.000 1.028 395 V CA -0.202 62.053 62.300 -0.076 0.000 0.851 395 V CB 1.376 33.158 31.823 -0.068 0.000 1.000 395 V HN 0.895 nan 8.190 nan 0.000 0.456 396 S N 5.851 121.492 115.700 -0.098 0.000 2.465 396 S HA 0.597 5.070 4.470 0.004 0.000 0.279 396 S C -0.668 173.957 174.600 0.042 0.000 1.201 396 S CA -0.183 57.983 58.200 -0.057 0.000 1.053 396 S CB 0.250 63.233 63.200 -0.361 0.000 0.953 396 S HN 0.579 nan 8.310 nan 0.000 0.488 397 F N 3.464 123.346 119.950 -0.114 0.000 2.547 397 F HA 0.542 5.071 4.527 0.004 0.000 0.316 397 F C -0.475 175.330 175.800 0.008 0.000 1.121 397 F CA -0.752 57.214 58.000 -0.056 0.000 0.911 397 F CB 1.182 40.130 39.000 -0.086 0.000 1.179 397 F HN 0.359 nan 8.300 nan 0.000 0.443 398 K N 6.090 126.167 120.400 -0.539 0.000 2.221 398 K HA 0.675 4.998 4.320 0.004 0.000 0.258 398 K C -2.212 173.930 176.600 -0.764 0.000 0.944 398 K CA -0.930 55.053 56.287 -0.508 0.000 0.823 398 K CB 1.791 34.166 32.500 -0.208 0.000 1.113 398 K HN 0.719 nan 8.250 nan 0.000 0.431 399 L N 5.427 126.395 121.223 -0.424 0.000 2.406 399 L HA 0.397 4.740 4.340 0.004 0.000 0.270 399 L C -1.870 175.040 176.870 0.067 0.000 0.982 399 L CA -0.558 54.185 54.840 -0.161 0.000 0.843 399 L CB 1.337 43.423 42.059 0.046 0.000 1.225 399 L HN 0.544 nan 8.230 nan 0.000 0.412 400 L N 6.861 128.126 121.223 0.069 0.000 2.282 400 L HA 0.724 5.067 4.340 0.004 0.000 0.288 400 L C -0.470 176.537 176.870 0.228 0.000 1.033 400 L CA -0.046 54.868 54.840 0.122 0.000 0.807 400 L CB 0.996 43.074 42.059 0.032 0.000 1.209 400 L HN 0.569 nan 8.230 nan 0.000 0.423 401 F N -1.001 118.970 119.950 0.036 0.000 2.741 401 F HA 0.471 5.001 4.527 0.004 0.000 0.313 401 F C -0.796 174.799 175.800 -0.343 0.000 1.153 401 F CA -1.337 56.452 58.000 -0.351 0.000 0.931 401 F CB 1.052 39.924 39.000 -0.213 0.000 1.335 401 F HN 0.353 nan 8.300 nan 0.000 0.460 402 D N 3.116 123.226 120.400 -0.483 0.000 2.325 402 D HA 0.237 4.880 4.640 0.004 0.000 0.251 402 D C -1.753 174.615 176.300 0.113 0.000 1.196 402 D CA -1.917 52.005 54.000 -0.131 0.000 0.866 402 D CB 1.831 42.535 40.800 -0.161 0.000 1.101 402 D HN 0.355 nan 8.370 nan 0.000 0.476 403 P HA -0.099 nan 4.420 nan 0.000 0.234 403 P C 1.232 178.616 177.300 0.141 0.000 1.167 403 P CA 0.608 63.795 63.100 0.145 0.000 0.763 403 P CB 0.340 32.048 31.700 0.013 0.000 0.835 404 V N -2.701 117.273 119.914 0.099 0.000 2.840 404 V HA 0.192 4.315 4.120 0.004 0.000 0.234 404 V C 2.149 178.279 176.094 0.061 0.000 1.159 404 V CA 0.466 62.811 62.300 0.074 0.000 1.194 404 V CB -0.967 30.892 31.823 0.059 0.000 0.971 404 V HN -0.152 nan 8.190 nan 0.000 0.494 405 K N 1.230 121.661 120.400 0.052 0.000 2.296 405 K HA 0.282 4.605 4.320 0.004 0.000 0.200 405 K C 1.593 178.201 176.600 0.014 0.000 1.048 405 K CA 0.992 57.298 56.287 0.032 0.000 0.966 405 K CB 0.027 32.547 32.500 0.033 0.000 0.754 405 K HN 0.893 nan 8.250 nan 0.000 0.466 406 G N 1.791 110.601 108.800 0.017 0.000 2.176 406 G HA2 -0.242 3.720 3.960 0.004 0.000 0.253 406 G HA3 -0.242 3.720 3.960 0.004 0.000 0.253 406 G C 0.207 175.060 174.900 -0.078 0.000 0.979 406 G CA 0.297 45.390 45.100 -0.011 0.000 0.641 406 G HN 0.266 nan 8.290 nan 0.000 0.530 407 T N 1.197 115.674 114.554 -0.129 0.000 2.923 407 T HA 0.272 4.625 4.350 0.004 0.000 0.304 407 T C 1.020 175.508 174.700 -0.352 0.000 1.044 407 T CA 0.533 62.508 62.100 -0.208 0.000 1.141 407 T CB 0.809 69.533 68.868 -0.240 0.000 1.023 407 T HN 0.362 nan 8.240 nan 0.000 0.533 408 I N 4.009 124.488 120.570 -0.152 0.000 2.322 408 I HA 0.150 4.323 4.170 0.004 0.000 0.292 408 I C 0.492 176.629 176.117 0.033 0.000 1.060 408 I CA -0.326 60.929 61.300 -0.076 0.000 1.309 408 I CB 0.580 38.584 38.000 0.006 0.000 1.415 408 I HN 0.608 nan 8.210 nan 0.000 0.492 409 F N 4.072 124.078 119.950 0.094 0.000 2.317 409 F HA 0.329 4.858 4.527 0.004 0.000 0.293 409 F C 1.456 177.258 175.800 0.004 0.000 1.085 409 F CA -0.248 57.777 58.000 0.042 0.000 1.390 409 F CB -0.350 38.651 39.000 0.002 0.000 1.077 409 F HN 0.471 nan 8.300 nan 0.000 0.517 410 G N -1.268 107.631 108.800 0.164 0.000 2.489 410 G HA2 0.623 4.585 3.960 0.004 0.000 0.291 410 G HA3 0.623 4.585 3.960 0.004 0.000 0.291 410 G C -2.130 172.745 174.900 -0.043 0.000 1.487 410 G CA -0.168 44.957 45.100 0.042 0.000 0.795 410 G HN 0.295 nan 8.290 nan 0.000 0.513 411 A N -0.081 122.676 122.820 -0.105 0.000 2.549 411 A HA 0.906 5.229 4.320 0.004 0.000 0.297 411 A C -0.797 176.634 177.584 -0.256 0.000 1.061 411 A CA -0.537 51.343 52.037 -0.261 0.000 0.690 411 A CB 1.967 20.822 19.000 -0.242 0.000 1.287 411 A HN 0.723 nan 8.150 nan 0.000 0.402 412 Q N -0.296 119.266 119.800 -0.397 0.000 2.389 412 Q HA 0.770 5.113 4.340 0.004 0.000 0.277 412 Q C -0.736 175.127 176.000 -0.229 0.000 1.082 412 Q CA -0.677 54.994 55.803 -0.220 0.000 0.810 412 Q CB 2.719 31.380 28.738 -0.128 0.000 1.374 412 Q HN 1.323 nan 8.270 nan 0.000 0.422 413 A N 1.058 123.839 122.820 -0.065 0.000 2.572 413 A HA 0.905 5.227 4.320 0.004 0.000 0.295 413 A C -1.518 176.055 177.584 -0.017 0.000 1.072 413 A CA -0.571 51.481 52.037 0.024 0.000 0.691 413 A CB 1.767 20.857 19.000 0.149 0.000 1.291 413 A HN 0.379 nan 8.150 nan 0.000 0.404 414 V N 0.131 120.005 119.914 -0.066 0.000 2.852 414 V HA 0.839 4.962 4.120 0.004 0.000 0.300 414 V C 0.276 176.248 176.094 -0.204 0.000 1.205 414 V CA 0.340 62.562 62.300 -0.130 0.000 0.940 414 V CB 1.601 33.315 31.823 -0.181 0.000 1.047 414 V HN 2.288 nan 8.190 nan 0.000 0.429 415 G N 3.272 111.986 108.800 -0.144 0.000 2.324 415 G HA2 0.281 4.244 3.960 0.004 0.000 0.293 415 G HA3 0.281 4.244 3.960 0.004 0.000 0.293 415 G C -0.568 174.290 174.900 -0.070 0.000 1.297 415 G CA -0.485 44.529 45.100 -0.144 0.000 0.853 415 G HN 0.523 nan 8.290 nan 0.000 0.535 416 K N -0.563 119.802 120.400 -0.059 0.000 2.404 416 K HA 0.257 4.580 4.320 0.004 0.000 0.194 416 K C -0.285 176.304 176.600 -0.017 0.000 1.023 416 K CA 0.622 56.895 56.287 -0.023 0.000 1.094 416 K CB 0.444 32.934 32.500 -0.015 0.000 0.841 416 K HN 0.480 nan 8.250 nan 0.000 0.523 417 D N -1.801 118.580 120.400 -0.031 0.000 2.706 417 D HA 0.249 4.891 4.640 0.004 0.000 0.225 417 D C -0.075 176.213 176.300 -0.020 0.000 1.241 417 D CA 0.157 54.148 54.000 -0.016 0.000 0.784 417 D CB 1.307 42.097 40.800 -0.017 0.000 1.521 417 D HN 0.032 nan 8.370 nan 0.000 0.461 418 G N 2.125 110.926 108.800 0.001 0.000 2.225 418 G HA2 -0.248 3.715 3.960 0.004 0.000 0.267 418 G HA3 -0.248 3.715 3.960 0.004 0.000 0.267 418 G C 0.888 175.780 174.900 -0.013 0.000 1.024 418 G CA 0.581 45.680 45.100 -0.002 0.000 0.784 418 G HN 0.466 nan 8.290 nan 0.000 0.507 419 I N 1.271 121.836 120.570 -0.008 0.000 2.585 419 I HA -0.010 4.163 4.170 0.004 0.000 0.254 419 I C 2.577 178.697 176.117 0.005 0.000 1.129 419 I CA 1.607 62.909 61.300 0.003 0.000 1.455 419 I CB -0.961 37.038 38.000 -0.002 0.000 1.111 419 I HN 0.460 nan 8.210 nan 0.000 0.433 420 D N 1.965 122.362 120.400 -0.006 0.000 2.221 420 D HA -0.295 4.348 4.640 0.004 0.000 0.204 420 D C 1.895 178.186 176.300 -0.015 0.000 0.982 420 D CA 1.398 55.390 54.000 -0.013 0.000 0.857 420 D CB -0.122 40.666 40.800 -0.019 0.000 0.934 420 D HN 0.392 nan 8.370 nan 0.000 0.475 421 K N 0.164 120.555 120.400 -0.015 0.000 2.098 421 K HA -0.038 4.285 4.320 0.004 0.000 0.203 421 K C 2.282 178.865 176.600 -0.027 0.000 1.051 421 K CA 0.158 56.430 56.287 -0.024 0.000 0.957 421 K CB 0.185 32.670 32.500 -0.025 0.000 0.738 421 K HN -0.173 nan 8.250 nan 0.000 0.447 422 R N 0.932 121.419 120.500 -0.023 0.000 2.096 422 R HA -0.020 4.323 4.340 0.004 0.000 0.235 422 R C 2.070 178.411 176.300 0.069 0.000 1.127 422 R CA 0.990 57.082 56.100 -0.013 0.000 0.968 422 R CB -0.562 29.724 30.300 -0.024 0.000 0.861 422 R HN 0.301 nan 8.270 nan 0.000 0.440 423 I N 0.768 121.377 120.570 0.065 0.000 2.406 423 I HA -0.156 4.017 4.170 0.004 0.000 0.249 423 I C 1.134 177.257 176.117 0.010 0.000 1.122 423 I CA 1.183 62.516 61.300 0.054 0.000 1.431 423 I CB -0.980 37.033 38.000 0.022 0.000 1.087 423 I HN 0.076 nan 8.210 nan 0.000 0.424 424 D N 0.963 121.358 120.400 -0.010 0.000 2.097 424 D HA -0.077 4.566 4.640 0.004 0.000 0.195 424 D C 1.468 177.748 176.300 -0.032 0.000 0.989 424 D CA 0.597 54.580 54.000 -0.029 0.000 0.827 424 D CB -0.392 40.388 40.800 -0.035 0.000 0.966 424 D HN 0.015 nan 8.370 nan 0.000 0.456 428 V N 1.255 121.120 119.914 -0.082 0.000 2.244 428 V HA -0.120 4.003 4.120 0.004 0.000 0.244 428 V C 3.054 179.106 176.094 -0.069 0.000 1.042 428 V CA 2.609 64.863 62.300 -0.077 0.000 1.006 428 V CB -1.281 30.509 31.823 -0.055 0.000 0.641 428 V HN 0.745 nan 8.190 nan 0.000 0.446 429 A N -0.553 122.237 122.820 -0.049 0.000 1.927 429 A HA -0.379 3.944 4.320 0.004 0.000 0.220 429 A C 2.285 179.852 177.584 -0.029 0.000 1.185 429 A CA 2.660 54.678 52.037 -0.033 0.000 0.639 429 A CB -0.644 18.340 19.000 -0.026 0.000 0.820 429 A HN 0.667 nan 8.150 nan 0.000 0.451 430 Q N -0.835 118.933 119.800 -0.053 0.000 2.049 430 Q HA -0.169 4.173 4.340 0.004 0.000 0.198 430 Q C 2.342 178.299 176.000 -0.071 0.000 0.971 430 Q CA 1.427 57.207 55.803 -0.038 0.000 0.833 430 Q CB -0.180 28.526 28.738 -0.054 0.000 0.896 430 Q HN 0.670 nan 8.270 nan 0.000 0.434 431 R N -0.201 120.150 120.500 -0.248 0.000 2.127 431 R HA -0.096 4.247 4.340 0.004 0.000 0.238 431 R C 1.727 178.030 176.300 0.006 0.000 1.134 431 R CA 1.355 57.258 56.100 -0.329 0.000 0.975 431 R CB -0.261 29.830 30.300 -0.348 0.000 0.865 431 R HN 0.309 nan 8.270 nan 0.000 0.447 432 A N 0.085 122.903 122.820 -0.004 0.000 2.238 432 A HA 0.311 4.633 4.320 0.004 0.000 0.208 432 A C 0.777 178.399 177.584 0.063 0.000 1.177 432 A CA 0.611 52.669 52.037 0.034 0.000 0.804 432 A CB -0.397 18.605 19.000 0.004 0.000 0.823 432 A HN 0.632 nan 8.150 nan 0.000 0.482 436 V N -0.240 119.604 119.914 -0.117 0.000 2.252 436 V HA -0.161 3.962 4.120 0.004 0.000 0.249 436 V C 2.226 178.239 176.094 -0.135 0.000 1.056 436 V CA 2.462 64.650 62.300 -0.186 0.000 1.022 436 V CB -1.684 29.918 31.823 -0.368 0.000 0.641 436 V HN 0.936 nan 8.190 nan 0.000 0.445 437 E N 0.550 120.697 120.200 -0.088 0.000 2.114 437 E HA -0.293 4.059 4.350 0.004 0.000 0.199 437 E C 2.347 178.970 176.600 0.039 0.000 1.008 437 E CA 2.313 58.697 56.400 -0.026 0.000 0.810 437 E CB -0.469 29.242 29.700 0.019 0.000 0.739 437 E HN 0.795 nan 8.360 nan 0.000 0.456 438 Q N -0.291 119.549 119.800 0.068 0.000 2.297 438 Q HA -0.023 4.319 4.340 0.004 0.000 0.204 438 Q C 1.998 178.050 176.000 0.086 0.000 0.962 438 Q CA 0.569 56.468 55.803 0.161 0.000 0.879 438 Q CB 0.034 28.812 28.738 0.067 0.000 0.947 438 Q HN 0.326 nan 8.270 nan 0.000 0.462 439 L N 0.335 121.530 121.223 -0.047 0.000 2.362 439 L HA -0.169 4.174 4.340 0.004 0.000 0.219 439 L C 2.071 178.817 176.870 -0.207 0.000 1.134 439 L CA 0.793 55.565 54.840 -0.112 0.000 0.807 439 L CB -0.204 41.772 42.059 -0.138 0.000 0.927 439 L HN 0.262 nan 8.230 nan 0.000 0.447 440 Q N -0.672 118.961 119.800 -0.279 0.000 2.224 440 Q HA -0.166 4.176 4.340 0.004 0.000 0.203 440 Q C 1.226 176.990 176.000 -0.393 0.000 0.970 440 Q CA 1.214 56.744 55.803 -0.455 0.000 0.865 440 Q CB 0.002 28.482 28.738 -0.431 0.000 0.922 440 Q HN 0.652 nan 8.270 nan 0.000 0.445 441 H N -0.713 118.321 119.070 -0.060 0.000 2.529 441 H HA 0.199 4.758 4.556 0.005 0.000 0.277 441 H C -0.210 175.095 175.328 -0.039 0.000 1.004 441 H CA -0.360 55.676 56.048 -0.020 0.000 1.167 441 H CB 0.244 30.003 29.762 -0.006 0.000 1.445 441 H HN 0.042 nan 8.280 nan 0.000 0.554 442 L N 1.989 123.216 121.223 0.006 0.000 2.559 442 L HA -0.046 4.297 4.340 0.004 0.000 0.274 442 L C 0.596 177.455 176.870 -0.019 0.000 1.205 442 L CA 0.630 55.456 54.840 -0.023 0.000 0.907 442 L CB 0.394 42.409 42.059 -0.074 0.000 1.153 442 L HN 0.403 nan 8.230 nan 0.000 0.490 443 E N 5.292 125.492 120.200 0.000 0.000 2.070 443 E HA 0.386 4.739 4.350 0.004 0.000 0.261 443 E C -0.809 175.792 176.600 0.002 0.000 0.926 443 E CA -0.387 56.020 56.400 0.012 0.000 0.760 443 E CB 0.639 30.354 29.700 0.024 0.000 1.133 443 E HN 0.500 nan 8.360 nan 0.000 0.420 444 L N 1.409 122.631 121.223 -0.003 0.000 2.397 444 L HA 0.427 4.770 4.340 0.004 0.000 0.266 444 L C 0.408 177.297 176.870 0.031 0.000 1.040 444 L CA -1.119 53.716 54.840 -0.007 0.000 0.800 444 L CB 1.628 43.664 42.059 -0.039 0.000 1.324 444 L HN 0.320 nan 8.230 nan 0.000 0.469 445 S N 0.254 115.971 115.700 0.029 0.000 2.465 445 S HA 0.187 4.660 4.470 0.004 0.000 0.280 445 S C -0.883 173.815 174.600 0.163 0.000 1.232 445 S CA -0.029 58.205 58.200 0.057 0.000 1.066 445 S CB -0.311 62.889 63.200 0.001 0.000 0.929 445 S HN 0.399 nan 8.310 nan 0.000 0.494 446 Y N 2.665 122.971 120.300 0.011 0.000 2.332 446 Y HA 0.582 5.134 4.550 0.004 0.000 0.326 446 Y C -0.447 175.476 175.900 0.039 0.000 0.978 446 Y CA -0.815 57.301 58.100 0.027 0.000 1.205 446 Y CB 0.434 38.907 38.460 0.021 0.000 1.131 446 Y HN 0.704 nan 8.280 nan 0.000 0.462 447 A N 6.585 129.352 122.820 -0.088 0.000 2.469 447 A HA 0.615 4.938 4.320 0.004 0.000 0.299 447 A C -2.503 174.921 177.584 -0.268 0.000 1.098 447 A CA -2.103 49.721 52.037 -0.355 0.000 0.737 447 A CB 1.591 20.543 19.000 -0.079 0.000 1.312 447 A HN 0.587 nan 8.150 nan 0.000 0.414 448 P HA -0.099 nan 4.420 nan 0.000 0.216 448 P C -1.578 175.121 177.300 -1.002 0.000 1.150 448 P CA 1.732 64.598 63.100 -0.391 0.000 0.843 448 P CB -0.738 30.833 31.700 -0.215 0.000 0.787 449 P HA -0.082 nan 4.420 nan 0.000 0.234 449 P C 0.370 176.971 177.300 -1.165 0.000 1.167 449 P CA 1.368 63.441 63.100 -1.712 0.000 0.763 449 P CB -0.273 30.366 31.700 -1.769 0.000 0.835 450 Y N -2.318 117.783 120.300 -0.332 0.000 2.435 450 Y HA 0.497 5.050 4.550 0.005 0.000 0.270 450 Y C 1.423 177.337 175.900 0.023 0.000 1.093 450 Y CA 0.022 58.057 58.100 -0.107 0.000 1.226 450 Y CB 0.340 38.747 38.460 -0.088 0.000 1.289 450 Y HN -0.133 nan 8.280 nan 0.000 0.529 451 G N -0.374 108.560 108.800 0.223 0.000 2.634 451 G HA2 0.516 4.479 3.960 0.004 0.000 0.309 451 G HA3 0.516 4.479 3.960 0.004 0.000 0.309 451 G C -1.337 173.622 174.900 0.098 0.000 1.299 451 G CA -0.278 44.934 45.100 0.186 0.000 0.798 451 G HN 0.106 nan 8.290 nan 0.000 0.490 452 S N -1.748 113.800 115.700 -0.254 0.000 2.588 452 S HA 0.699 5.171 4.470 0.004 0.000 0.275 452 S C 1.189 175.121 174.600 -1.114 0.000 1.130 452 S CA 0.530 58.283 58.200 -0.746 0.000 0.855 452 S CB 1.517 64.519 63.200 -0.329 0.000 1.116 452 S HN 2.005 nan 8.310 nan 0.000 0.472 453 A N 1.173 123.238 122.820 -1.259 0.000 1.917 453 A HA 0.024 4.346 4.320 0.004 0.000 0.219 453 A C 0.785 178.221 177.584 -0.247 0.000 1.182 453 A CA 1.378 53.054 52.037 -0.601 0.000 0.633 453 A CB -0.636 18.255 19.000 -0.181 0.000 0.819 453 A HN 0.755 nan 8.150 nan 0.000 0.448 454 K N 0.365 120.654 120.400 -0.184 0.000 2.274 454 K HA 0.388 4.711 4.320 0.004 0.000 0.262 454 K C -1.123 175.380 176.600 -0.161 0.000 0.961 454 K CA -0.480 55.751 56.287 -0.093 0.000 0.833 454 K CB 1.552 34.078 32.500 0.043 0.000 1.102 454 K HN 0.346 nan 8.250 nan 0.000 0.436 455 D N 1.336 121.626 120.400 -0.183 0.000 2.344 455 D HA 0.025 4.668 4.640 0.004 0.000 0.244 455 D C 1.279 177.434 176.300 -0.242 0.000 1.134 455 D CA -0.255 53.624 54.000 -0.202 0.000 0.930 455 D CB 1.092 41.777 40.800 -0.192 0.000 1.175 455 D HN 0.157 nan 8.370 nan 0.000 0.437 456 V N 2.528 122.286 119.914 -0.259 0.000 2.257 456 V HA -0.330 3.793 4.120 0.004 0.000 0.257 456 V C 2.132 177.924 176.094 -0.503 0.000 1.077 456 V CA 1.574 63.660 62.300 -0.357 0.000 1.063 456 V CB -0.680 30.885 31.823 -0.430 0.000 0.664 456 V HN 0.641 nan 8.190 nan 0.000 0.450 457 I N 0.288 120.541 120.570 -0.529 0.000 2.226 457 I HA -0.193 3.980 4.170 0.004 0.000 0.245 457 I C 2.168 178.032 176.117 -0.422 0.000 1.100 457 I CA 1.777 62.767 61.300 -0.516 0.000 1.374 457 I CB -1.924 35.859 38.000 -0.361 0.000 1.057 457 I HN 0.441 nan 8.210 nan 0.000 0.413 458 N N 0.410 118.860 118.700 -0.416 0.000 2.120 458 N HA -0.191 4.552 4.740 0.004 0.000 0.188 458 N C 1.849 176.866 175.510 -0.823 0.000 1.024 458 N CA 0.994 53.671 53.050 -0.622 0.000 0.852 458 N CB -0.084 38.114 38.487 -0.482 0.000 1.003 458 N HN 0.342 nan 8.380 nan 0.000 0.424 459 Q N 0.549 120.091 119.800 -0.429 0.000 2.050 459 Q HA -0.020 4.322 4.340 0.004 0.000 0.202 459 Q C 2.256 178.171 176.000 -0.141 0.000 0.980 459 Q CA 1.354 57.067 55.803 -0.151 0.000 0.840 459 Q CB -0.573 28.130 28.738 -0.058 0.000 0.898 459 Q HN 0.436 nan 8.270 nan 0.000 0.424 460 A N 1.240 123.951 122.820 -0.181 0.000 1.908 460 A HA -0.143 4.180 4.320 0.004 0.000 0.218 460 A C 2.344 179.859 177.584 -0.115 0.000 1.181 460 A CA 2.079 54.080 52.037 -0.059 0.000 0.627 460 A CB -0.756 18.301 19.000 0.096 0.000 0.818 460 A HN 0.375 nan 8.150 nan 0.000 0.445 461 A N -0.525 122.141 122.820 -0.257 0.000 1.841 461 A HA -0.054 4.269 4.320 0.004 0.000 0.216 461 A C 1.899 179.371 177.584 -0.188 0.000 1.199 461 A CA 1.817 53.679 52.037 -0.292 0.000 0.621 461 A CB -0.970 17.785 19.000 -0.407 0.000 0.835 461 A HN 0.460 nan 8.150 nan 0.000 0.445 462 F N 0.183 120.063 119.950 -0.117 0.000 2.120 462 F HA -0.183 4.346 4.527 0.004 0.000 0.300 462 F C 2.502 178.259 175.800 -0.072 0.000 1.095 462 F CA 1.271 59.214 58.000 -0.096 0.000 1.249 462 F CB -1.255 37.701 39.000 -0.074 0.000 0.995 462 F HN 0.034 nan 8.300 nan 0.000 0.480 463 V N -0.157 119.823 119.914 0.110 0.000 2.427 463 V HA -0.243 3.879 4.120 0.004 0.000 0.248 463 V C 2.576 178.688 176.094 0.030 0.000 1.051 463 V CA 1.619 63.965 62.300 0.076 0.000 1.048 463 V CB -1.500 30.376 31.823 0.089 0.000 0.666 463 V HN 0.360 nan 8.190 nan 0.000 0.456 464 A N -0.072 122.708 122.820 -0.068 0.000 1.929 464 A HA -0.139 4.184 4.320 0.004 0.000 0.216 464 A C 2.445 179.899 177.584 -0.216 0.000 1.176 464 A CA 1.994 53.885 52.037 -0.243 0.000 0.628 464 A CB -0.508 18.012 19.000 -0.801 0.000 0.816 464 A HN 0.522 nan 8.150 nan 0.000 0.444 465 S N 0.710 116.324 115.700 -0.144 0.000 2.414 465 S HA -0.109 4.363 4.470 0.004 0.000 0.227 465 S C 1.783 176.384 174.600 0.002 0.000 1.022 465 S CA 0.940 59.096 58.200 -0.074 0.000 0.958 465 S CB -0.395 62.784 63.200 -0.036 0.000 0.797 465 S HN 0.622 nan 8.310 nan 0.000 0.493 466 N N 2.091 120.806 118.700 0.026 0.000 2.061 466 N HA -0.037 4.706 4.740 0.004 0.000 0.193 466 N C 1.601 177.134 175.510 0.039 0.000 1.030 466 N CA 1.187 54.258 53.050 0.035 0.000 0.856 466 N CB -0.535 37.972 38.487 0.033 0.000 1.023 466 N HN 0.382 nan 8.380 nan 0.000 0.424 467 I N 0.876 121.478 120.570 0.053 0.000 2.179 467 I HA -0.223 3.950 4.170 0.004 0.000 0.242 467 I C 2.030 178.208 176.117 0.102 0.000 1.088 467 I CA 0.886 62.236 61.300 0.083 0.000 1.357 467 I CB -0.212 37.881 38.000 0.155 0.000 1.051 467 I HN 0.058 nan 8.210 nan 0.000 0.409 468 I N 0.567 121.205 120.570 0.114 0.000 2.264 468 I HA -0.302 3.870 4.170 0.004 0.000 0.248 468 I C 2.122 178.281 176.117 0.071 0.000 1.111 468 I CA 1.595 62.960 61.300 0.108 0.000 1.382 468 I CB -0.293 37.754 38.000 0.079 0.000 1.060 468 I HN 0.158 nan 8.210 nan 0.000 0.418 469 K N 0.382 120.815 120.400 0.056 0.000 2.459 469 K HA 0.121 4.443 4.320 0.004 0.000 0.193 469 K C 1.237 177.871 176.600 0.058 0.000 1.030 469 K CA 0.684 57.002 56.287 0.050 0.000 1.026 469 K CB 0.203 32.728 32.500 0.043 0.000 0.809 469 K HN 0.438 nan 8.250 nan 0.000 0.504 470 G N 1.467 110.306 108.800 0.065 0.000 2.143 470 G HA2 -0.248 3.714 3.960 0.004 0.000 0.249 470 G HA3 -0.248 3.714 3.960 0.004 0.000 0.249 470 G C 0.286 175.248 174.900 0.103 0.000 0.981 470 G CA 0.501 45.648 45.100 0.078 0.000 0.665 470 G HN 0.346 nan 8.290 nan 0.000 0.528 471 D N 0.305 120.761 120.400 0.094 0.000 2.355 471 D HA 0.369 5.012 4.640 0.004 0.000 0.218 471 D C 1.335 177.729 176.300 0.157 0.000 1.004 471 D CA 1.275 55.352 54.000 0.128 0.000 0.880 471 D CB 0.413 41.262 40.800 0.082 0.000 0.911 471 D HN 0.875 nan 8.370 nan 0.000 0.528 472 A N -0.023 122.819 122.820 0.036 0.000 2.469 472 A HA 0.646 4.969 4.320 0.004 0.000 0.299 472 A C -0.655 176.823 177.584 -0.176 0.000 1.098 472 A CA -0.494 51.394 52.037 -0.248 0.000 0.737 472 A CB 1.937 20.815 19.000 -0.203 0.000 1.312 472 A HN -0.082 nan 8.150 nan 0.000 0.414 473 T N 3.520 117.856 114.554 -0.364 0.000 2.949 473 T HA 0.637 4.990 4.350 0.004 0.000 0.300 473 T C -2.964 171.652 174.700 -0.140 0.000 0.988 473 T CA -0.837 61.205 62.100 -0.096 0.000 0.993 473 T CB 1.791 70.730 68.868 0.118 0.000 0.984 473 T HN 0.560 nan 8.240 nan 0.000 0.442 474 P HA 0.706 nan 4.420 nan 0.000 0.285 474 P C -1.235 175.949 177.300 -0.193 0.000 1.269 474 P CA -0.945 62.046 63.100 -0.182 0.000 0.844 474 P CB 1.014 32.562 31.700 -0.252 0.000 1.094 475 I N -1.794 118.646 120.570 -0.216 0.000 2.534 475 I HA 0.430 4.603 4.170 0.004 0.000 0.286 475 I C -0.052 175.977 176.117 -0.146 0.000 1.094 475 I CA -0.775 60.427 61.300 -0.165 0.000 1.055 475 I CB 1.080 39.068 38.000 -0.020 0.000 1.225 475 I HN 0.199 nan 8.210 nan 0.000 0.435 476 H N 4.445 123.557 119.070 0.071 0.000 2.603 476 H HA 0.247 4.805 4.556 0.004 0.000 0.370 476 H C 0.952 176.302 175.328 0.036 0.000 1.225 476 H CA -0.139 55.963 56.048 0.090 0.000 1.410 476 H CB 0.916 30.677 29.762 -0.001 0.000 1.495 476 H HN 0.866 nan 8.280 nan 0.000 0.602 477 F N 0.821 120.955 119.950 0.307 0.000 2.184 477 F HA -0.209 4.321 4.527 0.005 0.000 0.301 477 F C 1.449 177.364 175.800 0.192 0.000 1.076 477 F CA 1.218 59.370 58.000 0.254 0.000 1.295 477 F CB -0.415 38.673 39.000 0.146 0.000 1.026 477 F HN 0.421 nan 8.300 nan 0.000 0.494 478 D N -0.059 119.968 120.400 -0.622 0.000 2.336 478 D HA -0.074 4.569 4.640 0.004 0.000 0.229 478 D C 1.344 177.578 176.300 -0.109 0.000 1.061 478 D CA 0.405 54.182 54.000 -0.371 0.000 0.875 478 D CB -0.238 40.228 40.800 -0.556 0.000 0.904 478 D HN 0.594 nan 8.370 nan 0.000 0.525 479 Q N -0.559 119.224 119.800 -0.027 0.000 2.254 479 Q HA 0.318 4.660 4.340 0.004 0.000 0.259 479 Q C 1.913 177.936 176.000 0.038 0.000 0.815 479 Q CA -0.227 55.578 55.803 0.004 0.000 0.961 479 Q CB 0.995 29.736 28.738 0.005 0.000 1.140 479 Q HN 0.152 nan 8.270 nan 0.000 0.502 480 I N 1.273 121.886 120.570 0.071 0.000 2.761 480 I HA -0.172 4.000 4.170 0.004 0.000 0.261 480 I C 0.766 176.916 176.117 0.055 0.000 1.198 480 I CA 0.920 62.254 61.300 0.056 0.000 1.482 480 I CB 0.345 38.361 38.000 0.027 0.000 1.100 480 I HN 0.115 nan 8.210 nan 0.000 0.445 481 D N 0.993 121.459 120.400 0.109 0.000 2.350 481 D HA -0.124 4.518 4.640 0.004 0.000 0.216 481 D C 0.562 176.894 176.300 0.054 0.000 0.968 481 D CA 0.800 54.858 54.000 0.096 0.000 0.894 481 D CB -0.264 40.617 40.800 0.136 0.000 0.909 481 D HN 0.250 nan 8.370 nan 0.000 0.520 482 N N 0.713 119.439 118.700 0.044 0.000 2.886 482 N HA 0.091 4.834 4.740 0.004 0.000 0.285 482 N C -1.227 174.300 175.510 0.028 0.000 1.706 482 N CA -0.315 52.754 53.050 0.031 0.000 0.904 482 N CB -0.043 38.459 38.487 0.024 0.000 1.224 482 N HN -0.183 nan 8.380 nan 0.000 0.488 483 L N 0.725 121.966 121.223 0.029 0.000 2.379 483 L HA 0.510 4.853 4.340 0.004 0.000 0.269 483 L C 1.013 177.899 176.870 0.027 0.000 1.084 483 L CA -0.329 54.529 54.840 0.030 0.000 0.802 483 L CB 1.319 43.398 42.059 0.034 0.000 1.175 483 L HN 0.437 nan 8.230 nan 0.000 0.448 484 S N 0.531 116.247 115.700 0.027 0.000 2.767 484 S HA 0.395 4.868 4.470 0.004 0.000 0.300 484 S C 0.598 175.213 174.600 0.025 0.000 1.123 484 S CA -0.541 57.673 58.200 0.024 0.000 0.992 484 S CB 1.124 64.338 63.200 0.022 0.000 1.138 484 S HN 0.627 nan 8.310 nan 0.000 0.550 485 E N -0.249 119.964 120.200 0.022 0.000 2.435 485 E HA -0.081 4.272 4.350 0.004 0.000 0.195 485 E C 0.753 177.368 176.600 0.025 0.000 1.029 485 E CA 0.333 56.746 56.400 0.022 0.000 0.865 485 E CB 0.008 29.720 29.700 0.019 0.000 0.833 485 E HN 0.753 nan 8.360 nan 0.000 0.510 486 D N 0.470 120.886 120.400 0.027 0.000 2.347 486 D HA -0.064 4.579 4.640 0.004 0.000 0.213 486 D C -0.138 176.185 176.300 0.039 0.000 0.985 486 D CA 0.262 54.281 54.000 0.031 0.000 0.879 486 D CB 0.448 41.265 40.800 0.028 0.000 0.919 486 D HN 0.198 nan 8.370 nan 0.000 0.526 487 Q N 0.799 120.623 119.800 0.039 0.000 2.278 487 Q HA 0.391 4.734 4.340 0.004 0.000 0.257 487 Q C -0.906 175.121 176.000 0.046 0.000 0.928 487 Q CA -0.692 55.139 55.803 0.047 0.000 0.932 487 Q CB 2.421 31.186 28.738 0.046 0.000 1.221 487 Q HN 0.056 nan 8.270 nan 0.000 0.434 488 L N 4.041 125.293 121.223 0.049 0.000 2.280 488 L HA 0.330 4.673 4.340 0.004 0.000 0.287 488 L C -1.264 175.636 176.870 0.051 0.000 1.023 488 L CA -0.772 54.093 54.840 0.042 0.000 0.819 488 L CB 1.118 43.198 42.059 0.034 0.000 1.212 488 L HN 0.547 nan 8.230 nan 0.000 0.420 489 L N 6.098 127.360 121.223 0.065 0.000 2.477 489 L HA 0.293 4.636 4.340 0.004 0.000 0.272 489 L C -0.951 175.971 176.870 0.087 0.000 1.157 489 L CA 0.781 55.685 54.840 0.107 0.000 0.889 489 L CB 0.237 42.370 42.059 0.123 0.000 1.158 489 L HN 0.630 nan 8.230 nan 0.000 0.473 490 L N 5.546 126.814 121.223 0.076 0.000 2.406 490 L HA 0.390 4.733 4.340 0.004 0.000 0.270 490 L C -1.208 175.502 176.870 -0.267 0.000 0.982 490 L CA -0.523 54.281 54.840 -0.060 0.000 0.843 490 L CB 1.599 43.616 42.059 -0.070 0.000 1.225 490 L HN 0.599 nan 8.230 nan 0.000 0.412 491 D N 3.963 124.083 120.400 -0.466 0.000 2.313 491 D HA 0.154 4.796 4.640 0.004 0.000 0.239 491 D C 0.703 176.711 176.300 -0.486 0.000 1.142 491 D CA -0.178 53.276 54.000 -0.910 0.000 0.847 491 D CB 1.841 42.231 40.800 -0.683 0.000 1.082 491 D HN 0.432 nan 8.370 nan 0.000 0.480 492 V N 1.967 121.617 119.914 -0.439 0.000 3.444 492 V HA 0.334 4.457 4.120 0.004 0.000 0.308 492 V C 0.901 176.887 176.094 -0.180 0.000 1.371 492 V CA -0.407 61.752 62.300 -0.235 0.000 1.141 492 V CB -0.553 31.179 31.823 -0.151 0.000 1.037 492 V HN 0.247 nan 8.190 nan 0.000 0.433 493 R N 1.349 121.718 120.500 -0.219 0.000 2.801 493 R HA 0.277 4.620 4.340 0.004 0.000 0.273 493 R C -0.134 176.106 176.300 -0.101 0.000 1.080 493 R CA -0.270 55.752 56.100 -0.130 0.000 1.197 493 R CB 0.089 30.316 30.300 -0.122 0.000 1.109 493 R HN 0.379 nan 8.270 nan 0.000 0.535 494 N N 1.637 120.300 118.700 -0.063 0.000 2.508 494 N HA 0.051 4.794 4.740 0.004 0.000 0.264 494 N C -1.737 173.742 175.510 -0.052 0.000 1.216 494 N CA -1.252 51.768 53.050 -0.050 0.000 0.943 494 N CB 0.388 38.858 38.487 -0.029 0.000 1.113 494 N HN 0.319 nan 8.380 nan 0.000 0.447 495 P HA -0.107 nan 4.420 nan 0.000 0.216 495 P C 1.148 178.427 177.300 -0.034 0.000 1.150 495 P CA 1.194 64.268 63.100 -0.044 0.000 0.837 495 P CB -0.004 31.674 31.700 -0.035 0.000 0.786 496 G N 0.163 108.948 108.800 -0.025 0.000 2.479 496 G HA2 -0.244 3.719 3.960 0.004 0.000 0.220 496 G HA3 -0.244 3.719 3.960 0.004 0.000 0.220 496 G C 1.427 176.317 174.900 -0.017 0.000 1.115 496 G CA 0.490 45.580 45.100 -0.016 0.000 0.757 496 G HN 0.336 nan 8.290 nan 0.000 0.560 497 E N -0.630 119.554 120.200 -0.026 0.000 2.299 497 E HA 0.076 4.429 4.350 0.004 0.000 0.193 497 E C 2.158 178.730 176.600 -0.046 0.000 0.998 497 E CA -0.185 56.200 56.400 -0.025 0.000 0.851 497 E CB 0.025 29.710 29.700 -0.025 0.000 0.795 497 E HN 0.284 nan 8.360 nan 0.000 0.492 498 L N 1.171 122.359 121.223 -0.057 0.000 2.265 498 L HA -0.170 4.173 4.340 0.004 0.000 0.215 498 L C 2.111 178.946 176.870 -0.058 0.000 1.117 498 L CA 1.288 56.084 54.840 -0.072 0.000 0.782 498 L CB -0.102 41.920 42.059 -0.062 0.000 0.914 498 L HN 0.038 nan 8.230 nan 0.000 0.441 499 Q N -0.947 118.833 119.800 -0.034 0.000 2.472 499 Q HA 0.005 4.348 4.340 0.004 0.000 0.208 499 Q C 1.459 177.455 176.000 -0.007 0.000 0.958 499 Q CA 0.447 56.240 55.803 -0.017 0.000 0.932 499 Q CB -0.173 28.561 28.738 -0.007 0.000 1.007 499 Q HN 0.663 nan 8.270 nan 0.000 0.508 500 N N -0.074 118.618 118.700 -0.013 0.000 2.446 500 N HA 0.063 4.806 4.740 0.004 0.000 0.179 500 N C 0.325 175.853 175.510 0.030 0.000 1.054 500 N CA 0.591 53.653 53.050 0.021 0.000 0.905 500 N CB 0.682 39.194 38.487 0.042 0.000 0.973 500 N HN 0.140 nan 8.380 nan 0.000 0.448 501 G N -0.657 108.103 108.800 -0.066 0.000 2.435 501 G HA2 0.300 4.262 3.960 0.004 0.000 0.603 501 G HA3 0.300 4.262 3.960 0.004 0.000 0.603 501 G C -0.726 173.880 174.900 -0.490 0.000 1.496 501 G CA -0.564 44.471 45.100 -0.108 0.000 0.896 501 G HN 0.330 nan 8.290 nan 0.000 0.657 502 G N -0.738 107.864 108.800 -0.331 0.000 2.976 502 G HA2 0.835 4.798 3.960 0.004 0.000 0.276 502 G HA3 0.835 4.798 3.960 0.004 0.000 0.276 502 G C -1.218 173.589 174.900 -0.155 0.000 1.207 502 G CA -0.727 44.168 45.100 -0.341 0.000 0.803 502 G HN 1.130 nan 8.290 nan 0.000 0.572 503 L N 1.026 122.198 121.223 -0.084 0.000 2.362 503 L HA 0.424 4.766 4.340 0.004 0.000 0.275 503 L C 0.263 177.128 176.870 -0.008 0.000 0.998 503 L CA -0.780 53.978 54.840 -0.136 0.000 0.820 503 L CB 2.172 43.987 42.059 -0.406 0.000 1.270 503 L HN 0.707 nan 8.230 nan 0.000 0.415 504 E N 2.884 123.084 120.200 0.000 0.000 2.905 504 E HA -0.033 4.320 4.350 0.004 0.000 0.240 504 E C 0.903 177.520 176.600 0.028 0.000 0.990 504 E CA 1.143 57.555 56.400 0.020 0.000 0.954 504 E CB 0.205 29.920 29.700 0.025 0.000 0.908 504 E HN 0.877 nan 8.360 nan 0.000 0.532 505 G N 2.578 111.398 108.800 0.034 0.000 2.159 505 G HA2 -0.238 3.725 3.960 0.004 0.000 0.227 505 G HA3 -0.238 3.725 3.960 0.004 0.000 0.227 505 G C 0.243 175.171 174.900 0.048 0.000 0.986 505 G CA -0.002 45.118 45.100 0.035 0.000 0.651 505 G HN 0.920 nan 8.290 nan 0.000 0.523 506 A N 0.101 122.966 122.820 0.075 0.000 2.477 506 A HA 0.653 4.976 4.320 0.004 0.000 0.246 506 A C 0.838 178.435 177.584 0.021 0.000 1.078 506 A CA 0.376 52.466 52.037 0.089 0.000 0.770 506 A CB 0.773 19.883 19.000 0.183 0.000 1.011 506 A HN 1.158 nan 8.150 nan 0.000 0.494 507 V N 3.072 122.983 119.914 -0.004 0.000 2.732 507 V HA 0.115 4.237 4.120 0.004 0.000 0.297 507 V C 0.804 176.851 176.094 -0.077 0.000 1.060 507 V CA -0.410 61.867 62.300 -0.037 0.000 1.038 507 V CB 1.292 33.090 31.823 -0.041 0.000 1.003 507 V HN 0.957 nan 8.190 nan 0.000 0.481 508 N N 4.335 122.985 118.700 -0.083 0.000 2.511 508 N HA 0.445 5.187 4.740 0.004 0.000 0.249 508 N C -1.242 174.204 175.510 -0.106 0.000 0.971 508 N CA -0.470 52.513 53.050 -0.113 0.000 0.938 508 N CB 0.668 39.098 38.487 -0.094 0.000 1.131 508 N HN 0.580 nan 8.380 nan 0.000 0.505 509 I N 4.409 124.904 120.570 -0.125 0.000 2.420 509 I HA 0.321 4.494 4.170 0.004 0.000 0.282 509 I C -2.414 173.639 176.117 -0.107 0.000 1.019 509 I CA -2.135 59.100 61.300 -0.108 0.000 1.130 509 I CB 1.808 39.739 38.000 -0.114 0.000 1.262 509 I HN 0.267 nan 8.210 nan 0.000 0.454 510 P HA 0.001 nan 4.420 nan 0.000 0.268 510 P C 1.119 178.379 177.300 -0.067 0.000 1.204 510 P CA 0.074 63.127 63.100 -0.078 0.000 0.768 510 P CB 1.208 32.875 31.700 -0.056 0.000 0.842 511 V N 3.022 122.898 119.914 -0.064 0.000 2.311 511 V HA -0.307 3.816 4.120 0.004 0.000 0.256 511 V C 1.272 177.347 176.094 -0.032 0.000 1.077 511 V CA 2.342 64.614 62.300 -0.046 0.000 1.067 511 V CB -0.708 31.099 31.823 -0.028 0.000 0.659 511 V HN 0.557 nan 8.190 nan 0.000 0.451 512 D N -0.748 119.636 120.400 -0.026 0.000 2.348 512 D HA -0.061 4.581 4.640 0.004 0.000 0.216 512 D C 1.877 178.167 176.300 -0.016 0.000 0.970 512 D CA 0.891 54.881 54.000 -0.016 0.000 0.889 512 D CB 0.013 40.807 40.800 -0.010 0.000 0.912 512 D HN 0.690 nan 8.370 nan 0.000 0.524 513 E N -0.477 119.708 120.200 -0.025 0.000 2.498 513 E HA 0.064 4.417 4.350 0.004 0.000 0.203 513 E C 1.572 178.155 176.600 -0.028 0.000 1.013 513 E CA -0.239 56.148 56.400 -0.022 0.000 0.927 513 E CB 0.480 30.165 29.700 -0.026 0.000 1.012 513 E HN 0.019 nan 8.360 nan 0.000 0.482 514 L N 1.550 122.749 121.223 -0.040 0.000 2.046 514 L HA -0.127 4.215 4.340 0.004 0.000 0.208 514 L C 2.319 179.167 176.870 -0.036 0.000 1.077 514 L CA 1.833 56.639 54.840 -0.056 0.000 0.747 514 L CB -0.190 41.825 42.059 -0.073 0.000 0.896 514 L HN -0.037 nan 8.230 nan 0.000 0.432 515 R N -0.648 119.842 120.500 -0.017 0.000 2.103 515 R HA -0.200 4.143 4.340 0.004 0.000 0.242 515 R C 1.781 178.098 176.300 0.029 0.000 1.142 515 R CA 2.070 58.172 56.100 0.004 0.000 0.960 515 R CB -0.295 30.010 30.300 0.007 0.000 0.858 515 R HN 0.437 nan 8.270 nan 0.000 0.439 516 D N -0.498 119.920 120.400 0.030 0.000 2.234 516 D HA -0.002 4.641 4.640 0.004 0.000 0.205 516 D C 0.582 176.952 176.300 0.115 0.000 0.962 516 D CA 0.831 54.869 54.000 0.062 0.000 0.855 516 D CB 0.219 41.045 40.800 0.044 0.000 0.951 516 D HN 0.192 nan 8.370 nan 0.000 0.500 520 E N 2.098 121.924 120.200 -0.623 0.000 2.233 520 E HA -0.042 4.310 4.350 0.004 0.000 0.199 520 E C 0.163 176.700 176.600 -0.106 0.000 1.004 520 E CA 1.096 57.314 56.400 -0.302 0.000 0.819 520 E CB 0.194 29.703 29.700 -0.318 0.000 0.738 520 E HN 0.378 nan 8.360 nan 0.000 0.478 521 L N 2.315 123.502 121.223 -0.059 0.000 2.295 521 L HA 0.321 4.664 4.340 0.004 0.000 0.285 521 L C -2.175 174.798 176.870 0.171 0.000 1.035 521 L CA -2.346 52.500 54.840 0.010 0.000 0.806 521 L CB 0.918 42.918 42.059 -0.098 0.000 1.214 521 L HN -0.168 nan 8.230 nan 0.000 0.426 522 P HA 0.092 nan 4.420 nan 0.000 0.276 522 P C -0.233 177.192 177.300 0.209 0.000 1.235 522 P CA -0.501 62.684 63.100 0.142 0.000 0.772 522 P CB 1.277 33.023 31.700 0.077 0.000 0.871 523 K N 1.696 122.131 120.400 0.060 0.000 2.574 523 K HA -0.117 4.206 4.320 0.004 0.000 0.193 523 K C 0.486 177.057 176.600 -0.047 0.000 1.035 523 K CA 1.077 57.273 56.287 -0.151 0.000 0.982 523 K CB -0.325 31.927 32.500 -0.413 0.000 0.795 523 K HN 0.487 nan 8.250 nan 0.000 0.491 524 D N -1.384 119.023 120.400 0.012 0.000 2.340 524 D HA 0.028 4.670 4.640 0.004 0.000 0.217 524 D C -0.397 175.925 176.300 0.037 0.000 1.081 524 D CA -0.018 53.989 54.000 0.012 0.000 0.842 524 D CB 0.370 41.173 40.800 0.005 0.000 0.934 524 D HN -0.082 nan 8.370 nan 0.000 0.511 525 K N 0.558 121.000 120.400 0.070 0.000 2.259 525 K HA 0.241 4.564 4.320 0.004 0.000 0.252 525 K C -0.578 176.083 176.600 0.101 0.000 0.936 525 K CA -0.818 55.515 56.287 0.076 0.000 0.810 525 K CB 2.167 34.709 32.500 0.069 0.000 1.143 525 K HN -0.028 nan 8.250 nan 0.000 0.427 526 E N 4.001 124.249 120.200 0.079 0.000 2.166 526 E HA 0.030 4.383 4.350 0.004 0.000 0.279 526 E C -0.419 176.230 176.600 0.082 0.000 1.095 526 E CA -0.451 56.000 56.400 0.085 0.000 0.888 526 E CB 0.410 30.152 29.700 0.070 0.000 1.041 526 E HN 0.316 nan 8.360 nan 0.000 0.414 527 I N 5.832 126.452 120.570 0.083 0.000 2.396 527 I HA 0.107 4.280 4.170 0.004 0.000 0.289 527 I C 0.189 176.350 176.117 0.073 0.000 1.056 527 I CA -0.381 60.948 61.300 0.047 0.000 1.365 527 I CB 0.188 38.173 38.000 -0.025 0.000 1.407 527 I HN 0.436 nan 8.210 nan 0.000 0.509 528 I N 7.995 128.614 120.570 0.081 0.000 2.330 528 I HA 0.387 4.560 4.170 0.004 0.000 0.286 528 I C 0.307 176.517 176.117 0.155 0.000 1.025 528 I CA -0.619 60.750 61.300 0.115 0.000 1.197 528 I CB 0.859 38.921 38.000 0.104 0.000 1.358 528 I HN 0.358 nan 8.210 nan 0.000 0.467 529 I N 7.725 128.394 120.570 0.167 0.000 2.437 529 I HA 0.484 4.656 4.170 0.004 0.000 0.298 529 I C -0.320 175.959 176.117 0.271 0.000 0.984 529 I CA -0.657 60.736 61.300 0.154 0.000 1.214 529 I CB 1.299 39.370 38.000 0.119 0.000 1.365 529 I HN 0.456 nan 8.210 nan 0.000 0.469 530 F N 4.863 124.836 119.950 0.039 0.000 2.631 530 F HA 0.802 5.331 4.527 0.004 0.000 0.308 530 F C -0.444 175.385 175.800 0.047 0.000 1.097 530 F CA -0.914 57.120 58.000 0.057 0.000 0.952 530 F CB 0.834 39.869 39.000 0.059 0.000 1.307 530 F HN 0.645 nan 8.300 nan 0.000 0.450 531 C N 0.834 120.241 119.300 0.179 0.000 3.680 531 C HA 0.599 5.062 4.460 0.004 0.000 0.341 531 C C 1.113 176.265 174.990 0.270 0.000 3.788 531 C CA 0.054 59.124 59.018 0.086 0.000 1.552 531 C CB 1.026 28.799 27.740 0.054 0.000 4.276 531 C HN 1.028 nan 8.230 nan 0.000 0.531 532 Q N 0.403 120.320 119.800 0.195 0.000 2.123 532 Q HA 0.081 4.423 4.340 0.004 0.000 0.196 532 Q C 1.479 177.620 176.000 0.235 0.000 0.958 532 Q CA 2.993 58.934 55.803 0.230 0.000 0.841 532 Q CB -0.029 28.800 28.738 0.151 0.000 0.915 532 Q HN 1.095 nan 8.270 nan 0.000 0.455 533 V N -5.729 114.319 119.914 0.225 0.000 3.451 533 V HA 0.633 4.756 4.120 0.004 0.000 0.288 533 V C 0.916 177.203 176.094 0.322 0.000 1.502 533 V CA 0.626 63.105 62.300 0.299 0.000 1.026 533 V CB 0.730 32.732 31.823 0.299 0.000 0.840 533 V HN 0.296 nan 8.190 nan 0.000 0.437 534 G N 0.908 109.854 108.800 0.242 0.000 2.255 534 G HA2 -0.249 3.713 3.960 0.004 0.000 0.196 534 G HA3 -0.249 3.713 3.960 0.004 0.000 0.196 534 G C 0.542 175.533 174.900 0.153 0.000 0.998 534 G CA 0.399 45.625 45.100 0.211 0.000 0.656 534 G HN 0.537 nan 8.290 nan 0.000 0.490 535 L N 0.459 121.766 121.223 0.140 0.000 2.049 535 L HA 0.332 4.674 4.340 0.004 0.000 0.203 535 L C 2.864 179.783 176.870 0.082 0.000 1.074 535 L CA 1.752 56.654 54.840 0.104 0.000 0.749 535 L CB -0.301 41.816 42.059 0.096 0.000 0.907 535 L HN 0.227 nan 8.230 nan 0.000 0.439 536 R N -0.255 120.288 120.500 0.072 0.000 2.159 536 R HA -0.127 4.215 4.340 0.004 0.000 0.237 536 R C 2.107 178.438 176.300 0.051 0.000 1.131 536 R CA 1.031 57.160 56.100 0.048 0.000 0.982 536 R CB -0.639 29.678 30.300 0.028 0.000 0.868 536 R HN 0.585 nan 8.270 nan 0.000 0.453 537 G N 0.530 109.374 108.800 0.074 0.000 2.408 537 G HA2 -0.319 3.643 3.960 0.004 0.000 0.217 537 G HA3 -0.319 3.643 3.960 0.004 0.000 0.217 537 G C 1.196 176.163 174.900 0.111 0.000 1.150 537 G CA 0.819 45.972 45.100 0.089 0.000 0.776 537 G HN 0.316 nan 8.290 nan 0.000 0.542 538 N N -0.082 118.676 118.700 0.097 0.000 2.106 538 N HA -0.105 4.638 4.740 0.004 0.000 0.188 538 N C 2.232 177.825 175.510 0.138 0.000 1.029 538 N CA 1.366 54.477 53.050 0.101 0.000 0.848 538 N CB -0.185 38.339 38.487 0.062 0.000 1.007 538 N HN 0.100 nan 8.380 nan 0.000 0.423 539 V N 1.066 121.034 119.914 0.091 0.000 2.231 539 V HA -0.315 3.807 4.120 0.004 0.000 0.250 539 V C 2.447 178.582 176.094 0.069 0.000 1.058 539 V CA 2.139 64.481 62.300 0.070 0.000 1.022 539 V CB -1.396 30.451 31.823 0.040 0.000 0.640 539 V HN 0.522 nan 8.190 nan 0.000 0.445 540 A N -0.954 121.900 122.820 0.057 0.000 1.892 540 A HA -0.341 3.982 4.320 0.004 0.000 0.218 540 A C 2.173 179.789 177.584 0.053 0.000 1.188 540 A CA 2.532 54.585 52.037 0.027 0.000 0.631 540 A CB -0.981 18.021 19.000 0.003 0.000 0.822 540 A HN 0.723 nan 8.150 nan 0.000 0.447 541 Y N 0.430 120.725 120.300 -0.008 0.000 2.128 541 Y HA -0.271 4.281 4.550 0.004 0.000 0.284 541 Y C 2.532 178.440 175.900 0.014 0.000 1.154 541 Y CA 2.208 60.310 58.100 0.005 0.000 1.149 541 Y CB -0.105 38.371 38.460 0.025 0.000 0.976 541 Y HN 0.185 nan 8.280 nan 0.000 0.505 542 R N 0.596 121.208 120.500 0.186 0.000 2.091 542 R HA -0.187 4.155 4.340 0.004 0.000 0.238 542 R C 2.134 178.411 176.300 -0.039 0.000 1.136 542 R CA 1.932 58.066 56.100 0.057 0.000 0.959 542 R CB -0.948 29.426 30.300 0.124 0.000 0.856 542 R HN 0.606 nan 8.270 nan 0.000 0.437 543 Q N 0.239 120.025 119.800 -0.024 0.000 2.119 543 Q HA -0.046 4.297 4.340 0.004 0.000 0.201 543 Q C 2.340 178.309 176.000 -0.052 0.000 0.972 543 Q CA 1.027 56.812 55.803 -0.030 0.000 0.847 543 Q CB -0.109 28.612 28.738 -0.029 0.000 0.903 543 Q HN 0.290 nan 8.270 nan 0.000 0.433 544 L N -0.302 120.849 121.223 -0.120 0.000 2.005 544 L HA -0.160 4.183 4.340 0.004 0.000 0.207 544 L C 2.333 179.193 176.870 -0.017 0.000 1.072 544 L CA 0.784 55.549 54.840 -0.125 0.000 0.744 544 L CB -0.440 41.446 42.059 -0.288 0.000 0.895 544 L HN 0.057 nan 8.230 nan 0.000 0.433 545 V N 0.086 119.863 119.914 -0.228 0.000 2.594 545 V HA -0.272 3.851 4.120 0.004 0.000 0.253 545 V C 1.884 177.932 176.094 -0.077 0.000 1.069 545 V CA 1.928 64.105 62.300 -0.206 0.000 1.082 545 V CB -0.845 30.709 31.823 -0.449 0.000 0.680 545 V HN 0.499 nan 8.190 nan 0.000 0.469 546 N N 0.298 118.965 118.700 -0.054 0.000 2.396 546 N HA -0.088 4.655 4.740 0.004 0.000 0.180 546 N C 0.945 176.464 175.510 0.014 0.000 1.028 546 N CA 0.890 53.933 53.050 -0.013 0.000 0.893 546 N CB -0.053 38.431 38.487 -0.006 0.000 0.967 546 N HN 0.533 nan 8.380 nan 0.000 0.440 547 N N -0.746 117.987 118.700 0.055 0.000 2.279 547 N HA 0.192 4.935 4.740 0.004 0.000 0.226 547 N C 0.438 175.956 175.510 0.014 0.000 1.126 547 N CA 0.170 53.261 53.050 0.068 0.000 0.846 547 N CB 1.181 39.765 38.487 0.161 0.000 1.050 547 N HN 0.148 nan 8.380 nan 0.000 0.502 548 G N -0.484 108.310 108.800 -0.010 0.000 2.176 548 G HA2 -0.324 3.638 3.960 0.004 0.000 0.253 548 G HA3 -0.324 3.638 3.960 0.004 0.000 0.253 548 G C -0.196 174.627 174.900 -0.128 0.000 0.979 548 G CA -0.269 44.782 45.100 -0.081 0.000 0.641 548 G HN 0.335 nan 8.290 nan 0.000 0.530 549 Y N 1.007 121.271 120.300 -0.060 0.000 2.457 549 Y HA 0.445 4.998 4.550 0.005 0.000 0.341 549 Y C 1.612 177.469 175.900 -0.071 0.000 1.240 549 Y CA 0.021 58.084 58.100 -0.060 0.000 1.437 549 Y CB 0.470 38.888 38.460 -0.071 0.000 1.328 549 Y HN 0.116 nan 8.280 nan 0.000 0.588 550 R N 1.757 122.332 120.500 0.124 0.000 2.297 550 R HA 0.754 5.096 4.340 0.004 0.000 0.308 550 R C -0.769 175.588 176.300 0.094 0.000 1.029 550 R CA -0.503 55.645 56.100 0.079 0.000 0.929 550 R CB 0.990 31.330 30.300 0.067 0.000 1.046 550 R HN 0.742 nan 8.270 nan 0.000 0.461 551 A N 3.035 125.908 122.820 0.088 0.000 2.609 551 A HA 0.681 5.003 4.320 0.004 0.000 0.291 551 A C -1.109 176.675 177.584 0.333 0.000 1.096 551 A CA -0.856 51.267 52.037 0.142 0.000 0.684 551 A CB 1.854 20.860 19.000 0.011 0.000 1.282 551 A HN 0.691 nan 8.150 nan 0.000 0.412 552 R N 0.140 120.824 120.500 0.306 0.000 2.651 552 R HA 0.492 4.835 4.340 0.004 0.000 0.278 552 R C -1.484 174.920 176.300 0.173 0.000 1.010 552 R CA -0.791 55.438 56.100 0.215 0.000 0.896 552 R CB 2.265 32.630 30.300 0.108 0.000 1.211 552 R HN 0.778 nan 8.270 nan 0.000 0.456 553 N N 1.852 120.571 118.700 0.031 0.000 2.342 553 N HA 0.207 4.950 4.740 0.004 0.000 0.293 553 N C -1.373 174.173 175.510 0.059 0.000 1.026 553 N CA -0.738 52.344 53.050 0.053 0.000 0.857 553 N CB 1.237 39.701 38.487 -0.039 0.000 1.256 553 N HN 0.421 nan 8.380 nan 0.000 0.484 554 L N 5.052 126.360 121.223 0.142 0.000 2.485 554 L HA 0.389 4.731 4.340 0.004 0.000 0.279 554 L C -0.625 176.377 176.870 0.221 0.000 1.124 554 L CA 0.145 55.087 54.840 0.170 0.000 0.888 554 L CB -0.536 41.653 42.059 0.217 0.000 1.217 554 L HN 0.537 nan 8.230 nan 0.000 0.464 555 I N 6.274 126.985 120.570 0.235 0.000 2.618 555 I HA 0.241 4.414 4.170 0.004 0.000 0.284 555 I C 1.534 177.942 176.117 0.484 0.000 1.146 555 I CA 0.980 62.487 61.300 0.345 0.000 1.425 555 I CB 0.348 38.591 38.000 0.406 0.000 1.383 555 I HN 0.889 nan 8.210 nan 0.000 0.562 556 G N 3.720 112.785 108.800 0.442 0.000 2.205 556 G HA2 -0.155 3.808 3.960 0.004 0.000 0.261 556 G HA3 -0.155 3.808 3.960 0.004 0.000 0.261 556 G C 0.812 175.951 174.900 0.400 0.000 0.980 556 G CA 0.158 45.536 45.100 0.463 0.000 0.632 556 G HN 1.500 nan 8.290 nan 0.000 0.533 557 G N -0.765 108.236 108.800 0.336 0.000 2.591 557 G HA2 -0.148 3.815 3.960 0.004 0.000 0.278 557 G HA3 -0.148 3.815 3.960 0.004 0.000 0.278 557 G C 0.557 175.637 174.900 0.301 0.000 1.293 557 G CA 1.043 46.340 45.100 0.328 0.000 0.930 557 G HN 1.573 nan 8.290 nan 0.000 0.562 558 Y N 1.372 121.793 120.300 0.202 0.000 2.274 558 Y HA -0.069 4.483 4.550 0.004 0.000 0.290 558 Y C 3.077 179.056 175.900 0.132 0.000 1.145 558 Y CA 2.495 60.666 58.100 0.118 0.000 1.203 558 Y CB -0.239 38.312 38.460 0.151 0.000 0.984 558 Y HN 0.608 nan 8.280 nan 0.000 0.533 559 R N -0.647 119.921 120.500 0.113 0.000 2.091 559 R HA -0.170 4.173 4.340 0.004 0.000 0.238 559 R C 1.928 178.195 176.300 -0.055 0.000 1.136 559 R CA 2.135 58.223 56.100 -0.020 0.000 0.959 559 R CB -0.555 29.641 30.300 -0.174 0.000 0.856 559 R HN 0.287 nan 8.270 nan 0.000 0.437 560 T N 0.035 114.557 114.554 -0.053 0.000 2.777 560 T HA -0.186 4.167 4.350 0.004 0.000 0.266 560 T C 1.317 175.831 174.700 -0.311 0.000 1.040 560 T CA 1.525 63.515 62.100 -0.183 0.000 1.141 560 T CB -0.436 68.264 68.868 -0.280 0.000 0.868 560 T HN 0.410 nan 8.240 nan 0.000 0.444 561 Y N 2.111 122.235 120.300 -0.293 0.000 2.097 561 Y HA -0.196 4.356 4.550 0.004 0.000 0.282 561 Y C 2.554 178.191 175.900 -0.439 0.000 1.152 561 Y CA 1.979 59.907 58.100 -0.288 0.000 1.136 561 Y CB -0.144 38.191 38.460 -0.208 0.000 0.975 561 Y HN 0.027 nan 8.280 nan 0.000 0.498 562 K N -0.490 119.663 120.400 -0.413 0.000 2.063 562 K HA -0.209 4.113 4.320 0.004 0.000 0.208 562 K C 1.688 177.905 176.600 -0.640 0.000 1.048 562 K CA 1.994 57.940 56.287 -0.569 0.000 0.928 562 K CB -0.542 31.504 32.500 -0.757 0.000 0.713 562 K HN 0.355 nan 8.250 nan 0.000 0.442 563 F N 0.515 120.148 119.950 -0.527 0.000 2.604 563 F HA 0.056 4.585 4.527 0.004 0.000 0.298 563 F C 2.086 177.548 175.800 -0.563 0.000 1.131 563 F CA 0.713 58.333 58.000 -0.633 0.000 1.457 563 F CB -0.105 38.191 39.000 -1.173 0.000 1.095 563 F HN 0.112 nan 8.300 nan 0.000 0.574 564 A N -0.711 121.810 122.820 -0.498 0.000 2.251 564 A HA 0.181 4.503 4.320 0.004 0.000 0.209 564 A C 1.159 178.536 177.584 -0.344 0.000 1.187 564 A CA 0.573 52.310 52.037 -0.499 0.000 0.823 564 A CB -0.638 17.832 19.000 -0.884 0.000 0.846 564 A HN 0.257 nan 8.150 nan 0.000 0.486 565 S N 0.000 115.475 115.700 -0.376 0.000 2.498 565 S HA 0.000 4.473 4.470 0.004 0.000 0.327 565 S CA 0.000 58.024 58.200 -0.293 0.000 1.107 565 S CB 0.000 62.982 63.200 -0.363 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517