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 3pq4_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.572 174.600 -0.047 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 28 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 29 L N -0.452 120.734 121.223 -0.062 0.000 2.194 29 L HA 1.105 5.484 4.340 0.066 0.000 0.248 29 L C 0.523 177.309 176.870 -0.141 0.000 1.071 29 L CA -1.004 53.783 54.840 -0.089 0.000 0.901 29 L CB -0.299 41.715 42.059 -0.075 0.000 1.497 29 L HN 0.286 nan 8.230 nan 0.000 0.442 30 A N 0.201 122.877 122.820 -0.241 0.000 2.425 30 A HA 0.611 4.971 4.320 0.066 0.000 0.242 30 A C -2.132 175.294 177.584 -0.263 0.000 1.077 30 A CA -0.764 50.997 52.037 -0.461 0.000 0.781 30 A CB -1.137 17.289 19.000 -0.956 0.000 1.020 30 A HN 0.695 nan 8.150 nan 0.000 0.494 31 P HA 0.091 nan 4.420 nan 0.000 0.268 31 P C 0.176 177.453 177.300 -0.038 0.000 1.205 31 P CA 0.030 63.091 63.100 -0.065 0.000 0.771 31 P CB 0.767 32.469 31.700 0.002 0.000 0.858 32 E N 1.412 121.601 120.200 -0.019 0.000 2.209 32 E HA -0.230 4.159 4.350 0.066 0.000 0.196 32 E C 1.084 177.702 176.600 0.030 0.000 0.993 32 E CA 1.510 57.910 56.400 0.002 0.000 0.819 32 E CB -0.085 29.613 29.700 -0.002 0.000 0.745 32 E HN 0.522 nan 8.360 nan 0.000 0.477 33 D N -1.412 119.011 120.400 0.038 0.000 2.363 33 D HA -0.011 4.669 4.640 0.066 0.000 0.226 33 D C 1.297 177.645 176.300 0.080 0.000 1.020 33 D CA 0.830 54.859 54.000 0.048 0.000 0.892 33 D CB -0.216 40.605 40.800 0.036 0.000 0.900 33 D HN 0.220 nan 8.370 nan 0.000 0.531 34 G N 0.302 109.189 108.800 0.146 0.000 2.155 34 G HA2 -0.365 3.635 3.960 0.066 0.000 0.257 34 G HA3 -0.365 3.635 3.960 0.066 0.000 0.257 34 G C 1.068 176.068 174.900 0.166 0.000 0.983 34 G CA 0.939 46.173 45.100 0.223 0.000 0.676 34 G HN 0.721 nan 8.290 nan 0.000 0.528 35 S N -0.081 115.721 115.700 0.169 0.000 2.603 35 S HA 0.012 4.522 4.470 0.066 0.000 0.229 35 S C 1.761 176.417 174.600 0.094 0.000 0.972 35 S CA 1.273 59.525 58.200 0.087 0.000 0.935 35 S CB -0.649 62.590 63.200 0.064 0.000 0.769 35 S HN 1.058 nan 8.310 nan 0.000 0.536 36 H N 0.369 119.445 119.070 0.010 0.000 2.457 36 H HA 0.264 4.860 4.556 0.066 0.000 0.294 36 H C 1.193 176.532 175.328 0.018 0.000 1.064 36 H CA 0.555 56.610 56.048 0.012 0.000 1.330 36 H CB -0.110 29.658 29.762 0.010 0.000 1.395 36 H HN 0.289 nan 8.280 nan 0.000 0.541 37 R N 2.326 122.521 120.500 -0.509 0.000 2.229 37 R HA 0.319 4.699 4.340 0.066 0.000 0.332 37 R C -2.775 173.434 176.300 -0.152 0.000 0.989 37 R CA -2.783 53.088 56.100 -0.382 0.000 0.842 37 R CB 0.522 30.487 30.300 -0.559 0.000 1.119 37 R HN 0.125 nan 8.270 nan 0.000 0.456 38 P HA 0.089 nan 4.420 nan 0.000 0.268 38 P C -0.900 176.391 177.300 -0.014 0.000 1.204 38 P CA -0.156 62.934 63.100 -0.017 0.000 0.768 38 P CB 0.849 32.564 31.700 0.024 0.000 0.842 39 A N 3.121 125.939 122.820 -0.003 0.000 2.511 39 A HA 0.361 4.721 4.320 0.066 0.000 0.242 39 A C 0.949 178.544 177.584 0.019 0.000 1.069 39 A CA 0.190 52.229 52.037 0.003 0.000 0.763 39 A CB -0.354 18.651 19.000 0.008 0.000 1.001 39 A HN 0.576 nan 8.150 nan 0.000 0.498 40 A N 2.988 125.818 122.820 0.018 0.000 3.135 40 A HA 0.487 4.847 4.320 0.066 0.000 0.253 40 A C 0.252 177.855 177.584 0.033 0.000 1.638 40 A CA -0.063 51.991 52.037 0.029 0.000 1.295 40 A CB -0.430 18.583 19.000 0.023 0.000 1.106 40 A HN 0.740 nan 8.150 nan 0.000 0.648 41 E N 0.318 120.539 120.200 0.036 0.000 2.413 41 E HA 0.393 4.783 4.350 0.066 0.000 0.277 41 E C -3.117 173.507 176.600 0.040 0.000 0.958 41 E CA -1.989 54.433 56.400 0.037 0.000 0.779 41 E CB 1.789 31.504 29.700 0.026 0.000 1.278 41 E HN 0.058 nan 8.360 nan 0.000 0.456 42 P HA 0.132 nan 4.420 nan 0.000 0.271 42 P C -0.633 176.677 177.300 0.017 0.000 1.216 42 P CA 0.061 63.178 63.100 0.028 0.000 0.771 42 P CB 0.360 32.063 31.700 0.005 0.000 0.864 43 T N 0.417 114.978 114.554 0.011 0.000 2.916 43 T HA 0.604 4.994 4.350 0.066 0.000 0.305 43 T C -3.010 171.666 174.700 -0.040 0.000 1.119 43 T CA -2.533 59.568 62.100 0.001 0.000 1.008 43 T CB 1.621 70.495 68.868 0.009 0.000 1.129 43 T HN 0.079 nan 8.240 nan 0.000 0.480 44 P HA 0.374 nan 4.420 nan 0.000 0.274 44 P C -2.745 174.422 177.300 -0.222 0.000 1.237 44 P CA -1.581 61.382 63.100 -0.228 0.000 0.793 44 P CB -0.912 30.734 31.700 -0.090 0.000 0.977 45 P HA 0.049 nan 4.420 nan 0.000 0.266 45 P C 1.077 178.333 177.300 -0.073 0.000 1.195 45 P CA 1.408 64.414 63.100 -0.157 0.000 0.768 45 P CB -0.173 31.432 31.700 -0.158 0.000 0.838 46 G N 2.362 111.149 108.800 -0.022 0.000 2.212 46 G HA2 -0.356 3.644 3.960 0.066 0.000 0.266 46 G HA3 -0.356 3.644 3.960 0.066 0.000 0.266 46 G C 1.131 176.031 174.900 -0.001 0.000 0.978 46 G CA 0.464 45.563 45.100 -0.002 0.000 0.632 46 G HN 0.684 nan 8.290 nan 0.000 0.537 47 A N -1.345 121.470 122.820 -0.007 0.000 2.016 47 A HA 0.444 4.804 4.320 0.066 0.000 0.217 47 A C 1.324 178.912 177.584 0.007 0.000 1.162 47 A CA 1.925 53.962 52.037 -0.000 0.000 0.662 47 A CB 0.051 19.049 19.000 -0.003 0.000 0.812 47 A HN 0.485 nan 8.150 nan 0.000 0.450 48 Q N -1.114 118.693 119.800 0.013 0.000 2.456 48 Q HA 0.427 4.807 4.340 0.066 0.000 0.284 48 Q C -2.989 173.026 176.000 0.025 0.000 1.061 48 Q CA -1.938 53.876 55.803 0.018 0.000 0.799 48 Q CB 1.251 30.003 28.738 0.024 0.000 1.445 48 Q HN 0.053 nan 8.270 nan 0.000 0.411 49 P HA 0.087 nan 4.420 nan 0.000 0.271 49 P C -0.279 177.051 177.300 0.049 0.000 1.218 49 P CA 0.006 63.119 63.100 0.022 0.000 0.780 49 P CB 0.304 32.013 31.700 0.016 0.000 0.901 50 T N -0.983 113.597 114.554 0.043 0.000 2.828 50 T HA 0.668 5.058 4.350 0.066 0.000 0.290 50 T C -0.065 174.717 174.700 0.137 0.000 1.019 50 T CA -0.561 61.613 62.100 0.123 0.000 1.031 50 T CB 0.811 69.689 68.868 0.016 0.000 1.001 50 T HN 0.559 nan 8.240 nan 0.000 0.531 51 A N 1.249 124.256 122.820 0.312 0.000 2.594 51 A HA 0.790 5.150 4.320 0.066 0.000 0.291 51 A C -3.000 174.850 177.584 0.445 0.000 1.105 51 A CA -2.005 50.188 52.037 0.259 0.000 0.694 51 A CB 0.669 19.776 19.000 0.179 0.000 1.291 51 A HN 0.682 nan 8.150 nan 0.000 0.410 52 P HA 0.112 nan 4.420 nan 0.000 0.266 52 P C 1.158 178.617 177.300 0.265 0.000 1.195 52 P CA 0.857 64.184 63.100 0.379 0.000 0.768 52 P CB 0.509 32.349 31.700 0.232 0.000 0.838 53 G N 2.321 111.235 108.800 0.191 0.000 2.442 53 G HA2 -0.290 3.710 3.960 0.066 0.000 0.219 53 G HA3 -0.290 3.710 3.960 0.066 0.000 0.219 53 G C 1.572 176.492 174.900 0.034 0.000 1.141 53 G CA 1.103 46.228 45.100 0.041 0.000 0.763 53 G HN 0.603 nan 8.290 nan 0.000 0.554 54 S N 0.011 115.735 115.700 0.039 0.000 2.447 54 S HA 0.125 4.635 4.470 0.066 0.000 0.233 54 S C 2.203 176.823 174.600 0.034 0.000 1.006 54 S CA 0.798 59.007 58.200 0.014 0.000 0.957 54 S CB -0.173 63.028 63.200 0.003 0.000 0.773 54 S HN 0.318 nan 8.310 nan 0.000 0.507 55 L N -0.127 121.134 121.223 0.062 0.000 2.298 55 L HA 0.265 4.645 4.340 0.066 0.000 0.209 55 L C 2.663 179.569 176.870 0.059 0.000 1.084 55 L CA 0.798 55.673 54.840 0.059 0.000 0.816 55 L CB -0.338 41.765 42.059 0.073 0.000 0.967 55 L HN 0.252 nan 8.230 nan 0.000 0.460 56 K N 1.497 121.945 120.400 0.079 0.000 2.103 56 K HA 0.023 4.383 4.320 0.066 0.000 0.204 56 K C 0.735 177.368 176.600 0.056 0.000 1.052 56 K CA 1.266 57.599 56.287 0.078 0.000 0.945 56 K CB 0.117 32.682 32.500 0.109 0.000 0.722 56 K HN 0.151 nan 8.250 nan 0.000 0.443 57 A N 0.811 123.656 122.820 0.043 0.000 3.317 57 A HA 0.352 4.712 4.320 0.066 0.000 0.307 57 A C -2.215 175.378 177.584 0.015 0.000 1.003 57 A CA -0.973 51.086 52.037 0.036 0.000 0.882 57 A CB 0.638 19.663 19.000 0.042 0.000 1.136 57 A HN 0.161 nan 8.150 nan 0.000 0.488 58 P HA -0.071 nan 4.420 nan 0.000 0.226 58 P C 0.034 177.329 177.300 -0.007 0.000 1.153 58 P CA 1.004 64.105 63.100 0.002 0.000 0.777 58 P CB 0.381 32.087 31.700 0.009 0.000 0.794 59 D N -0.794 119.607 120.400 0.000 0.000 2.350 59 D HA 0.014 4.694 4.640 0.066 0.000 0.213 59 D C 0.328 176.618 176.300 -0.016 0.000 1.031 59 D CA 0.585 54.582 54.000 -0.006 0.000 0.861 59 D CB -0.348 40.456 40.800 0.006 0.000 0.926 59 D HN 0.095 nan 8.370 nan 0.000 0.520 60 T N 1.936 116.478 114.554 -0.019 0.000 2.752 60 T HA 0.344 4.734 4.350 0.066 0.000 0.295 60 T C 0.485 175.144 174.700 -0.068 0.000 0.923 60 T CA -0.059 62.016 62.100 -0.042 0.000 1.112 60 T CB 0.879 69.719 68.868 -0.047 0.000 0.884 60 T HN -0.061 nan 8.240 nan 0.000 0.525 61 R N 2.816 123.270 120.500 -0.077 0.000 2.837 61 R HA 0.666 5.046 4.340 0.066 0.000 0.271 61 R C -0.559 175.687 176.300 -0.090 0.000 0.993 61 R CA -1.068 54.980 56.100 -0.086 0.000 0.931 61 R CB 1.544 31.800 30.300 -0.074 0.000 1.206 61 R HN 0.750 nan 8.270 nan 0.000 0.474 62 N N -1.621 117.026 118.700 -0.087 0.000 2.934 62 N HA 0.029 4.808 4.740 0.066 0.000 0.253 62 N C 0.032 175.498 175.510 -0.073 0.000 1.466 62 N CA -0.944 52.068 53.050 -0.065 0.000 0.858 62 N CB 0.767 39.248 38.487 -0.010 0.000 1.459 62 N HN 0.638 nan 8.380 nan 0.000 0.532 63 E N -0.299 119.872 120.200 -0.048 0.000 2.130 63 E HA -0.305 4.084 4.350 0.066 0.000 0.196 63 E C 1.024 177.553 176.600 -0.119 0.000 0.998 63 E CA 1.595 57.959 56.400 -0.059 0.000 0.806 63 E CB 0.091 29.782 29.700 -0.015 0.000 0.738 63 E HN 0.498 nan 8.360 nan 0.000 0.459 64 K N 0.577 120.868 120.400 -0.181 0.000 2.062 64 K HA -0.053 4.307 4.320 0.066 0.000 0.205 64 K C 2.091 178.524 176.600 -0.278 0.000 1.051 64 K CA 1.003 57.085 56.287 -0.342 0.000 0.941 64 K CB -0.377 31.734 32.500 -0.649 0.000 0.719 64 K HN 0.170 nan 8.250 nan 0.000 0.440 65 L N 0.950 122.029 121.223 -0.241 0.000 2.042 65 L HA -0.230 4.150 4.340 0.066 0.000 0.210 65 L C 1.871 178.625 176.870 -0.193 0.000 1.076 65 L CA 1.333 56.005 54.840 -0.281 0.000 0.749 65 L CB -0.604 41.287 42.059 -0.280 0.000 0.893 65 L HN 0.268 nan 8.230 nan 0.000 0.432 66 N N -0.268 118.345 118.700 -0.145 0.000 2.084 66 N HA -0.165 4.615 4.740 0.066 0.000 0.190 66 N C 2.055 177.504 175.510 -0.101 0.000 1.030 66 N CA 1.725 54.712 53.050 -0.105 0.000 0.849 66 N CB -0.552 37.886 38.487 -0.081 0.000 1.012 66 N HN 0.368 nan 8.380 nan 0.000 0.423 67 S N 0.596 116.226 115.700 -0.116 0.000 2.442 67 S HA -0.029 4.480 4.470 0.066 0.000 0.236 67 S C 1.808 176.345 174.600 -0.105 0.000 1.007 67 S CA 0.574 58.712 58.200 -0.104 0.000 0.965 67 S CB -0.566 62.564 63.200 -0.116 0.000 0.773 67 S HN 0.270 nan 8.310 nan 0.000 0.504 68 L N 0.697 121.843 121.223 -0.128 0.000 2.610 68 L HA 0.186 4.566 4.340 0.066 0.000 0.232 68 L C 2.580 179.402 176.870 -0.080 0.000 1.149 68 L CA 0.509 55.281 54.840 -0.112 0.000 0.872 68 L CB -0.397 41.578 42.059 -0.141 0.000 0.992 68 L HN 0.259 nan 8.230 nan 0.000 0.447 69 E N 1.015 121.172 120.200 -0.073 0.000 2.204 69 E HA -0.240 4.150 4.350 0.066 0.000 0.195 69 E C 1.677 178.254 176.600 -0.038 0.000 0.990 69 E CA 1.343 57.713 56.400 -0.050 0.000 0.821 69 E CB -0.046 29.627 29.700 -0.044 0.000 0.750 69 E HN 0.571 nan 8.360 nan 0.000 0.477 70 D N -0.605 119.770 120.400 -0.041 0.000 2.218 70 D HA -0.141 4.539 4.640 0.066 0.000 0.204 70 D C 1.654 177.935 176.300 -0.031 0.000 0.976 70 D CA 1.544 55.525 54.000 -0.033 0.000 0.853 70 D CB -0.368 40.412 40.800 -0.033 0.000 0.939 70 D HN 0.302 nan 8.370 nan 0.000 0.481 71 V N -3.392 116.502 119.914 -0.034 0.000 3.643 71 V HA 0.309 4.469 4.120 0.066 0.000 0.280 71 V C 0.892 176.974 176.094 -0.019 0.000 1.351 71 V CA -0.651 61.633 62.300 -0.027 0.000 1.073 71 V CB -0.484 31.323 31.823 -0.026 0.000 0.863 71 V HN -0.158 nan 8.190 nan 0.000 0.436 72 R N 1.937 122.425 120.500 -0.020 0.000 2.537 72 R HA 0.416 4.795 4.340 0.066 0.000 0.280 72 R C -0.370 175.926 176.300 -0.007 0.000 1.058 72 R CA 0.037 56.133 56.100 -0.007 0.000 1.057 72 R CB 0.630 30.926 30.300 -0.007 0.000 0.973 72 R HN 0.272 nan 8.270 nan 0.000 0.438 73 K N 1.249 121.649 120.400 0.001 0.000 2.413 73 K HA 0.315 4.675 4.320 0.066 0.000 0.257 73 K C -0.083 176.526 176.600 0.016 0.000 0.946 73 K CA -0.309 55.965 56.287 -0.021 0.000 0.823 73 K CB 1.785 34.258 32.500 -0.044 0.000 1.109 73 K HN 0.676 nan 8.250 nan 0.000 0.427 74 G N 0.753 109.582 108.800 0.048 0.000 2.546 74 G HA2 0.295 4.295 3.960 0.066 0.000 0.239 74 G HA3 0.295 4.295 3.960 0.066 0.000 0.239 74 G C 0.194 175.199 174.900 0.175 0.000 1.476 74 G CA 0.274 45.459 45.100 0.142 0.000 1.064 74 G HN 0.782 nan 8.290 nan 0.000 0.561 75 S N -2.756 113.139 115.700 0.324 0.000 2.323 75 S HA 0.088 4.598 4.470 0.066 0.000 0.233 75 S C 0.194 174.964 174.600 0.282 0.000 0.898 75 S CA -0.122 58.269 58.200 0.317 0.000 1.321 75 S CB -0.019 63.271 63.200 0.150 0.000 0.921 75 S HN 0.504 nan 8.310 nan 0.000 0.398 76 E N 3.106 123.383 120.200 0.128 0.000 2.465 76 E HA 0.276 4.666 4.350 0.066 0.000 0.260 76 E C -0.234 176.257 176.600 -0.182 0.000 0.980 76 E CA 0.276 56.675 56.400 -0.002 0.000 0.927 76 E CB 0.038 29.733 29.700 -0.007 0.000 0.934 76 E HN 0.388 nan 8.360 nan 0.000 0.459 77 N N 0.654 119.270 118.700 -0.141 0.000 2.828 77 N HA -0.211 4.569 4.740 0.066 0.000 0.248 77 N C -1.181 174.168 175.510 -0.269 0.000 1.044 77 N CA 1.165 54.086 53.050 -0.215 0.000 0.851 77 N CB -1.414 36.899 38.487 -0.289 0.000 1.136 77 N HN 0.381 nan 8.380 nan 0.000 0.572 78 Y N 0.559 120.865 120.300 0.010 0.000 2.387 78 Y HA 0.653 5.243 4.550 0.067 0.000 0.330 78 Y C 0.919 176.823 175.900 0.006 0.000 1.133 78 Y CA -0.731 57.374 58.100 0.008 0.000 1.152 78 Y CB 1.068 39.533 38.460 0.008 0.000 1.215 78 Y HN 0.127 nan 8.280 nan 0.000 0.466 79 A N 2.682 125.616 122.820 0.189 0.000 2.407 79 A HA 0.405 4.765 4.320 0.066 0.000 0.248 79 A C -0.697 176.938 177.584 0.084 0.000 1.082 79 A CA -0.503 51.596 52.037 0.102 0.000 0.785 79 A CB 0.072 19.118 19.000 0.077 0.000 1.020 79 A HN 0.709 nan 8.150 nan 0.000 0.489 80 L N 2.879 124.133 121.223 0.051 0.000 2.410 80 L HA 0.521 4.901 4.340 0.066 0.000 0.273 80 L C 0.633 177.513 176.870 0.017 0.000 1.152 80 L CA 1.161 56.018 54.840 0.028 0.000 0.855 80 L CB 0.482 42.548 42.059 0.013 0.000 1.129 80 L HN 0.909 nan 8.230 nan 0.000 0.463 81 T N 0.350 114.909 114.554 0.008 0.000 2.883 81 T HA 0.635 5.025 4.350 0.066 0.000 0.296 81 T C 0.169 174.873 174.700 0.006 0.000 1.117 81 T CA -0.199 61.908 62.100 0.012 0.000 1.006 81 T CB 1.019 69.895 68.868 0.014 0.000 1.191 81 T HN 0.826 nan 8.240 nan 0.000 0.508 82 T N 0.480 115.051 114.554 0.028 0.000 2.701 82 T HA 0.181 4.571 4.350 0.066 0.000 0.303 82 T C 1.070 175.789 174.700 0.030 0.000 1.030 82 T CA -0.401 61.725 62.100 0.042 0.000 1.010 82 T CB -0.086 68.852 68.868 0.116 0.000 1.007 82 T HN 0.575 nan 8.240 nan 0.000 0.532 83 N N 0.474 119.195 118.700 0.035 0.000 2.453 83 N HA -0.061 4.718 4.740 0.066 0.000 0.183 83 N C 1.554 177.084 175.510 0.033 0.000 1.041 83 N CA 0.533 53.595 53.050 0.020 0.000 0.900 83 N CB -0.152 38.355 38.487 0.034 0.000 0.961 83 N HN 0.550 nan 8.380 nan 0.000 0.443 84 Q N -0.470 119.363 119.800 0.055 0.000 2.360 84 Q HA 0.182 4.562 4.340 0.066 0.000 0.202 84 Q C 0.795 176.818 176.000 0.039 0.000 0.915 84 Q CA 0.135 55.966 55.803 0.048 0.000 0.943 84 Q CB 0.323 29.096 28.738 0.059 0.000 1.064 84 Q HN 0.393 nan 8.270 nan 0.000 0.511 85 G N 0.420 109.241 108.800 0.035 0.000 2.132 85 G HA2 -0.234 3.766 3.960 0.066 0.000 0.234 85 G HA3 -0.234 3.766 3.960 0.066 0.000 0.234 85 G C 0.052 174.978 174.900 0.043 0.000 0.989 85 G CA 0.151 45.267 45.100 0.026 0.000 0.676 85 G HN 0.219 nan 8.290 nan 0.000 0.522 86 V N 1.690 121.646 119.914 0.070 0.000 2.406 86 V HA 0.361 4.521 4.120 0.066 0.000 0.272 86 V C 1.290 177.426 176.094 0.069 0.000 1.043 86 V CA -0.592 61.762 62.300 0.091 0.000 0.915 86 V CB 1.039 32.963 31.823 0.169 0.000 0.988 86 V HN 0.412 nan 8.190 nan 0.000 0.466 87 R N 4.443 124.975 120.500 0.055 0.000 2.590 87 R HA 0.367 4.747 4.340 0.066 0.000 0.274 87 R C -0.520 175.796 176.300 0.026 0.000 1.061 87 R CA -0.066 56.057 56.100 0.038 0.000 1.081 87 R CB 0.566 30.888 30.300 0.036 0.000 0.984 87 R HN 0.576 nan 8.270 nan 0.000 0.448 88 I N 2.015 122.589 120.570 0.007 0.000 2.359 88 I HA 0.125 4.335 4.170 0.066 0.000 0.294 88 I C 0.966 177.074 176.117 -0.015 0.000 0.987 88 I CA -0.009 61.279 61.300 -0.020 0.000 1.225 88 I CB 1.890 39.867 38.000 -0.038 0.000 1.366 88 I HN 0.778 nan 8.210 nan 0.000 0.466 89 A N 4.085 126.892 122.820 -0.021 0.000 1.911 89 A HA -0.003 4.357 4.320 0.066 0.000 0.212 89 A C 0.697 178.267 177.584 -0.024 0.000 1.189 89 A CA 0.994 53.021 52.037 -0.015 0.000 0.639 89 A CB 0.029 19.023 19.000 -0.010 0.000 0.839 89 A HN 0.680 nan 8.150 nan 0.000 0.449 90 D N -0.644 119.734 120.400 -0.037 0.000 2.440 90 D HA 0.333 5.013 4.640 0.066 0.000 0.252 90 D C -1.221 175.047 176.300 -0.053 0.000 1.180 90 D CA -0.370 53.605 54.000 -0.040 0.000 0.894 90 D CB 1.130 41.907 40.800 -0.039 0.000 1.111 90 D HN 0.073 nan 8.370 nan 0.000 0.544 91 D N 1.891 122.263 120.400 -0.046 0.000 2.358 91 D HA 0.037 4.717 4.640 0.066 0.000 0.224 91 D C 0.653 176.922 176.300 -0.052 0.000 1.123 91 D CA 0.301 54.269 54.000 -0.053 0.000 0.833 91 D CB 0.508 41.282 40.800 -0.043 0.000 0.946 91 D HN 0.233 nan 8.370 nan 0.000 0.505 92 Q N -0.587 119.184 119.800 -0.048 0.000 2.281 92 Q HA 0.267 4.647 4.340 0.066 0.000 0.215 92 Q C -0.180 175.790 176.000 -0.049 0.000 0.867 92 Q CA 0.163 55.938 55.803 -0.047 0.000 0.940 92 Q CB 0.788 29.504 28.738 -0.038 0.000 1.111 92 Q HN 0.196 nan 8.270 nan 0.000 0.513 93 N N 0.058 118.726 118.700 -0.053 0.000 2.331 93 N HA 0.270 5.050 4.740 0.066 0.000 0.280 93 N C -1.063 174.412 175.510 -0.058 0.000 1.155 93 N CA -0.245 52.775 53.050 -0.050 0.000 0.822 93 N CB 2.113 40.576 38.487 -0.041 0.000 1.619 93 N HN -0.178 nan 8.380 nan 0.000 0.476 94 S N 0.851 116.520 115.700 -0.053 0.000 2.592 94 S HA 0.235 4.745 4.470 0.066 0.000 0.271 94 S C 0.224 174.798 174.600 -0.044 0.000 1.326 94 S CA -0.532 57.637 58.200 -0.052 0.000 1.024 94 S CB 0.662 63.837 63.200 -0.042 0.000 0.921 94 S HN 0.382 nan 8.310 nan 0.000 0.527 95 L N 3.997 125.193 121.223 -0.045 0.000 2.360 95 L HA 0.391 4.771 4.340 0.066 0.000 0.276 95 L C 0.158 177.018 176.870 -0.016 0.000 1.121 95 L CA 0.460 55.282 54.840 -0.029 0.000 0.845 95 L CB -0.090 41.954 42.059 -0.025 0.000 1.143 95 L HN 0.722 nan 8.230 nan 0.000 0.452 96 R N 4.186 124.679 120.500 -0.011 0.000 2.836 96 R HA 0.862 5.242 4.340 0.066 0.000 0.269 96 R C -1.191 175.107 176.300 -0.002 0.000 1.010 96 R CA -0.883 55.213 56.100 -0.007 0.000 0.930 96 R CB 1.138 31.433 30.300 -0.010 0.000 1.218 96 R HN 0.574 nan 8.270 nan 0.000 0.473 97 A N 1.307 124.127 122.820 0.000 0.000 2.650 97 A HA 0.591 4.951 4.320 0.066 0.000 0.320 97 A C 0.628 178.211 177.584 -0.000 0.000 1.466 97 A CA 0.263 52.301 52.037 0.002 0.000 1.099 97 A CB -0.796 18.207 19.000 0.004 0.000 1.136 97 A HN 1.216 nan 8.150 nan 0.000 0.532 98 G N 1.308 110.107 108.800 -0.002 0.000 2.733 98 G HA2 -0.010 3.990 3.960 0.066 0.000 0.686 98 G HA3 -0.010 3.990 3.960 0.066 0.000 0.686 98 G C 0.739 175.636 174.900 -0.006 0.000 1.373 98 G CA 0.157 45.255 45.100 -0.003 0.000 0.838 98 G HN 1.884 nan 8.290 nan 0.000 0.588 99 S N -0.427 115.269 115.700 -0.007 0.000 2.515 99 S HA 0.034 4.544 4.470 0.066 0.000 0.231 99 S C 1.532 176.126 174.600 -0.010 0.000 0.987 99 S CA 1.276 59.471 58.200 -0.009 0.000 0.936 99 S CB 0.112 63.306 63.200 -0.010 0.000 0.766 99 S HN 0.733 nan 8.310 nan 0.000 0.528 100 R N 1.059 121.554 120.500 -0.008 0.000 2.552 100 R HA 0.343 4.722 4.340 0.066 0.000 0.314 100 R C 0.829 177.125 176.300 -0.007 0.000 1.041 100 R CA 0.019 56.114 56.100 -0.008 0.000 1.076 100 R CB 0.674 30.970 30.300 -0.007 0.000 1.290 100 R HN 0.461 nan 8.270 nan 0.000 0.563 101 G N 1.546 110.342 108.800 -0.006 0.000 2.613 101 G HA2 0.404 4.404 3.960 0.066 0.000 0.303 101 G HA3 0.404 4.404 3.960 0.066 0.000 0.303 101 G C -2.452 172.446 174.900 -0.005 0.000 1.312 101 G CA -1.120 43.977 45.100 -0.004 0.000 1.036 101 G HN -0.096 nan 8.290 nan 0.000 0.513 102 P HA 0.231 nan 4.420 nan 0.000 0.277 102 P C -0.218 177.081 177.300 -0.002 0.000 1.240 102 P CA -0.058 63.041 63.100 -0.002 0.000 0.798 102 P CB 0.953 32.654 31.700 0.001 0.000 0.979 103 T N 2.414 116.966 114.554 -0.003 0.000 2.919 103 T HA 0.274 4.664 4.350 0.066 0.000 0.302 103 T C 0.474 175.177 174.700 0.004 0.000 1.031 103 T CA -0.114 61.984 62.100 -0.004 0.000 1.127 103 T CB 0.026 68.890 68.868 -0.008 0.000 0.952 103 T HN 0.192 nan 8.240 nan 0.000 0.540 104 L N 3.287 124.515 121.223 0.007 0.000 2.343 104 L HA 0.362 4.742 4.340 0.066 0.000 0.275 104 L C 1.336 178.221 176.870 0.026 0.000 1.056 104 L CA -0.792 54.058 54.840 0.017 0.000 0.804 104 L CB 0.996 43.067 42.059 0.021 0.000 1.203 104 L HN 0.508 nan 8.230 nan 0.000 0.440 105 L N 1.982 123.225 121.223 0.033 0.000 2.275 105 L HA -0.156 4.224 4.340 0.066 0.000 0.215 105 L C 2.251 179.160 176.870 0.066 0.000 1.119 105 L CA 1.535 56.401 54.840 0.043 0.000 0.790 105 L CB -0.541 41.541 42.059 0.038 0.000 0.919 105 L HN 0.793 nan 8.230 nan 0.000 0.443 106 E N -1.530 118.713 120.200 0.072 0.000 2.516 106 E HA -0.179 4.211 4.350 0.066 0.000 0.199 106 E C 0.193 176.893 176.600 0.167 0.000 1.069 106 E CA 0.222 56.693 56.400 0.118 0.000 0.876 106 E CB -0.513 29.249 29.700 0.102 0.000 0.843 106 E HN 0.367 nan 8.360 nan 0.000 0.530 107 D N 1.212 121.662 120.400 0.084 0.000 2.441 107 D HA -0.049 4.630 4.640 0.066 0.000 0.243 107 D C 0.446 176.756 176.300 0.017 0.000 1.257 107 D CA -0.405 53.598 54.000 0.006 0.000 1.027 107 D CB -0.173 40.603 40.800 -0.040 0.000 1.084 107 D HN 0.313 nan 8.370 nan 0.000 0.514 108 F N 1.917 121.875 119.950 0.014 0.000 2.407 108 F HA 0.070 4.637 4.527 0.066 0.000 0.299 108 F C 1.627 177.440 175.800 0.021 0.000 1.097 108 F CA 0.166 58.177 58.000 0.019 0.000 1.422 108 F CB -0.616 38.395 39.000 0.018 0.000 1.067 108 F HN 0.174 nan 8.300 nan 0.000 0.539 109 I N 0.358 120.500 120.570 -0.713 0.000 2.233 109 I HA -0.193 4.017 4.170 0.066 0.000 0.243 109 I C 2.489 178.498 176.117 -0.180 0.000 1.093 109 I CA 1.000 62.023 61.300 -0.462 0.000 1.380 109 I CB -0.570 37.097 38.000 -0.555 0.000 1.067 109 I HN 0.264 nan 8.210 nan 0.000 0.413 110 L N 1.236 122.366 121.223 -0.155 0.000 1.990 110 L HA -0.234 4.146 4.340 0.066 0.000 0.213 110 L C 2.654 179.513 176.870 -0.018 0.000 1.072 110 L CA 1.963 56.758 54.840 -0.075 0.000 0.755 110 L CB -0.564 41.457 42.059 -0.064 0.000 0.889 110 L HN 0.064 nan 8.230 nan 0.000 0.432 111 R N -0.765 119.743 120.500 0.013 0.000 2.115 111 R HA -0.159 4.221 4.340 0.066 0.000 0.230 111 R C 2.293 178.647 176.300 0.090 0.000 1.111 111 R CA 1.357 57.493 56.100 0.060 0.000 0.976 111 R CB -0.326 30.024 30.300 0.084 0.000 0.870 111 R HN 0.596 nan 8.270 nan 0.000 0.445 112 E N 1.225 121.482 120.200 0.096 0.000 2.051 112 E HA -0.240 4.150 4.350 0.066 0.000 0.192 112 E C 1.918 178.596 176.600 0.129 0.000 0.991 112 E CA 1.266 57.742 56.400 0.125 0.000 0.799 112 E CB 0.116 29.892 29.700 0.128 0.000 0.748 112 E HN 0.139 nan 8.360 nan 0.000 0.449 113 K N 0.219 120.664 120.400 0.075 0.000 2.026 113 K HA -0.141 4.219 4.320 0.066 0.000 0.208 113 K C 2.123 178.797 176.600 0.124 0.000 1.048 113 K CA 1.314 57.645 56.287 0.073 0.000 0.929 113 K CB -0.018 32.482 32.500 -0.000 0.000 0.713 113 K HN 0.146 nan 8.250 nan 0.000 0.439 114 I N 1.293 121.916 120.570 0.088 0.000 2.353 114 I HA -0.176 4.034 4.170 0.066 0.000 0.248 114 I C 2.120 178.344 176.117 0.178 0.000 1.119 114 I CA 1.317 62.687 61.300 0.116 0.000 1.417 114 I CB -1.406 36.624 38.000 0.049 0.000 1.078 114 I HN 0.233 nan 8.210 nan 0.000 0.421 115 T N -0.268 114.380 114.554 0.157 0.000 2.746 115 T HA -0.220 4.170 4.350 0.066 0.000 0.267 115 T C 1.960 176.784 174.700 0.207 0.000 1.039 115 T CA 1.393 63.602 62.100 0.181 0.000 1.142 115 T CB -0.440 68.551 68.868 0.204 0.000 0.866 115 T HN 0.335 nan 8.240 nan 0.000 0.444 116 H N 0.024 119.184 119.070 0.151 0.000 2.319 116 H HA -0.089 4.507 4.556 0.067 0.000 0.299 116 H C 2.183 177.563 175.328 0.086 0.000 1.092 116 H CA 1.703 57.825 56.048 0.124 0.000 1.302 116 H CB -0.464 29.353 29.762 0.091 0.000 1.373 116 H HN 0.406 nan 8.280 nan 0.000 0.497 117 F N 1.973 121.976 119.950 0.088 0.000 2.134 117 F HA -0.173 4.394 4.527 0.068 0.000 0.299 117 F C 1.923 177.663 175.800 -0.100 0.000 1.097 117 F CA 1.608 59.613 58.000 0.009 0.000 1.264 117 F CB -0.297 38.702 39.000 -0.002 0.000 1.001 117 F HN 0.048 nan 8.300 nan 0.000 0.479 118 D N -1.166 119.133 120.400 -0.170 0.000 2.310 118 D HA -0.119 4.561 4.640 0.066 0.000 0.212 118 D C 1.066 176.953 176.300 -0.689 0.000 0.965 118 D CA 1.107 54.841 54.000 -0.442 0.000 0.879 118 D CB -0.317 40.191 40.800 -0.487 0.000 0.921 118 D HN 0.487 nan 8.370 nan 0.000 0.510 119 H N -0.551 118.398 119.070 -0.202 0.000 2.510 119 H HA 0.230 4.827 4.556 0.068 0.000 0.266 119 H C 0.965 176.132 175.328 -0.269 0.000 1.146 119 H CA -0.134 55.794 56.048 -0.200 0.000 0.993 119 H CB 0.509 30.174 29.762 -0.161 0.000 1.727 119 H HN 0.245 nan 8.280 nan 0.000 0.590 120 E N 0.702 120.737 120.200 -0.274 0.000 2.150 120 E HA -0.038 4.351 4.350 0.066 0.000 0.193 120 E C 0.502 176.941 176.600 -0.268 0.000 0.985 120 E CA 0.557 56.766 56.400 -0.319 0.000 0.814 120 E CB 0.453 29.936 29.700 -0.362 0.000 0.752 120 E HN 0.148 nan 8.360 nan 0.000 0.466 121 R N 1.306 121.712 120.500 -0.157 0.000 2.357 121 R HA 0.330 4.710 4.340 0.066 0.000 0.296 121 R C 0.449 176.787 176.300 0.064 0.000 1.052 121 R CA -0.169 55.910 56.100 -0.034 0.000 0.988 121 R CB 0.656 30.930 30.300 -0.043 0.000 1.025 121 R HN 0.173 nan 8.270 nan 0.000 0.469 122 I N -0.785 119.891 120.570 0.177 0.000 3.023 122 I HA 0.619 4.829 4.170 0.066 0.000 0.312 122 I C -2.224 173.960 176.117 0.112 0.000 1.056 122 I CA -3.019 58.373 61.300 0.153 0.000 1.033 122 I CB 1.675 39.799 38.000 0.206 0.000 1.233 122 I HN 0.236 nan 8.210 nan 0.000 0.462 123 P HA 0.141 nan 4.420 nan 0.000 0.271 123 P C -0.997 176.335 177.300 0.054 0.000 1.216 123 P CA -0.180 62.951 63.100 0.051 0.000 0.771 123 P CB 0.491 32.211 31.700 0.033 0.000 0.864 124 E N 2.625 122.859 120.200 0.057 0.000 2.371 124 E HA 0.211 4.601 4.350 0.066 0.000 0.257 124 E C -0.508 176.119 176.600 0.046 0.000 1.134 124 E CA -0.866 55.572 56.400 0.063 0.000 0.919 124 E CB 0.617 30.360 29.700 0.072 0.000 1.025 124 E HN 0.248 nan 8.360 nan 0.000 0.438 125 R N 0.907 121.439 120.500 0.053 0.000 2.585 125 R HA -0.025 4.355 4.340 0.066 0.000 0.275 125 R C 1.313 177.647 176.300 0.056 0.000 1.018 125 R CA -0.346 55.782 56.100 0.047 0.000 1.072 125 R CB 0.203 30.549 30.300 0.076 0.000 0.953 125 R HN 0.566 nan 8.270 nan 0.000 0.419 126 I N 1.972 122.568 120.570 0.044 0.000 2.194 126 I HA -0.163 4.046 4.170 0.066 0.000 0.246 126 I C 1.239 177.408 176.117 0.087 0.000 1.093 126 I CA 1.590 62.926 61.300 0.061 0.000 1.355 126 I CB -1.176 36.865 38.000 0.069 0.000 1.046 126 I HN 0.400 nan 8.210 nan 0.000 0.413 127 V N -3.417 116.582 119.914 0.141 0.000 3.102 127 V HA 0.515 4.675 4.120 0.066 0.000 0.312 127 V C 0.427 176.688 176.094 0.277 0.000 1.135 127 V CA -0.861 61.547 62.300 0.180 0.000 1.022 127 V CB 1.787 33.785 31.823 0.291 0.000 1.056 127 V HN 0.425 nan 8.190 nan 0.000 0.436 128 H N 0.218 119.349 119.070 0.102 0.000 2.862 128 H HA -0.216 4.380 4.556 0.067 0.000 0.290 128 H C 1.532 176.905 175.328 0.075 0.000 1.211 128 H CA 0.775 56.876 56.048 0.088 0.000 1.140 128 H CB -1.210 28.591 29.762 0.066 0.000 1.341 128 H HN 1.158 nan 8.280 nan 0.000 0.392 129 A N 0.730 123.639 122.820 0.149 0.000 2.070 129 A HA -0.095 4.265 4.320 0.066 0.000 0.220 129 A C 1.662 179.335 177.584 0.148 0.000 1.159 129 A CA 1.283 53.398 52.037 0.129 0.000 0.656 129 A CB -0.072 18.983 19.000 0.092 0.000 0.800 129 A HN 0.281 nan 8.150 nan 0.000 0.453 130 R N 0.019 120.609 120.500 0.150 0.000 2.207 130 R HA 0.525 4.905 4.340 0.066 0.000 0.334 130 R C -0.165 176.259 176.300 0.207 0.000 1.013 130 R CA 0.706 56.912 56.100 0.177 0.000 0.858 130 R CB 0.484 30.876 30.300 0.153 0.000 1.094 130 R HN 0.296 nan 8.270 nan 0.000 0.457 131 G N 0.867 109.813 108.800 0.243 0.000 2.673 131 G HA2 0.516 4.516 3.960 0.066 0.000 0.292 131 G HA3 0.516 4.516 3.960 0.066 0.000 0.292 131 G C -1.620 173.427 174.900 0.245 0.000 1.450 131 G CA -0.581 44.623 45.100 0.174 0.000 0.837 131 G HN 0.508 nan 8.290 nan 0.000 0.505 132 S N -1.095 114.689 115.700 0.141 0.000 2.541 132 S HA 0.897 5.407 4.470 0.066 0.000 0.280 132 S C -0.253 174.345 174.600 -0.003 0.000 1.112 132 S CA -0.144 58.200 58.200 0.240 0.000 0.925 132 S CB 1.807 65.261 63.200 0.423 0.000 1.067 132 S HN 1.643 nan 8.310 nan 0.000 0.479 133 A N 1.418 124.200 122.820 -0.063 0.000 2.498 133 A HA 1.019 5.379 4.320 0.066 0.000 0.298 133 A C -0.946 176.432 177.584 -0.343 0.000 1.075 133 A CA -0.679 51.101 52.037 -0.429 0.000 0.714 133 A CB 1.616 20.209 19.000 -0.677 0.000 1.299 133 A HN 1.333 nan 8.150 nan 0.000 0.407 134 A N 0.716 123.184 122.820 -0.587 0.000 2.606 134 A HA 0.746 5.106 4.320 0.066 0.000 0.293 134 A C -1.022 176.351 177.584 -0.352 0.000 1.082 134 A CA -0.662 51.184 52.037 -0.318 0.000 0.685 134 A CB 0.772 19.676 19.000 -0.160 0.000 1.284 134 A HN 0.886 nan 8.150 nan 0.000 0.408 135 H N -0.353 118.738 119.070 0.034 0.000 2.505 135 H HA 0.664 5.260 4.556 0.066 0.000 0.351 135 H C 0.654 175.972 175.328 -0.016 0.000 1.151 135 H CA 0.899 57.018 56.048 0.119 0.000 1.339 135 H CB 1.764 31.596 29.762 0.117 0.000 1.483 135 H HN 1.134 nan 8.280 nan 0.000 0.558 136 G N 0.602 109.489 108.800 0.145 0.000 2.510 136 G HA2 0.336 4.336 3.960 0.066 0.000 0.277 136 G HA3 0.336 4.336 3.960 0.066 0.000 0.277 136 G C -2.021 172.989 174.900 0.185 0.000 1.223 136 G CA -0.584 44.558 45.100 0.071 0.000 0.887 136 G HN 0.629 nan 8.290 nan 0.000 0.485 137 Y N -1.728 118.611 120.300 0.065 0.000 2.597 137 Y HA 0.844 5.434 4.550 0.066 0.000 0.340 137 Y C -1.694 174.346 175.900 0.234 0.000 1.097 137 Y CA -2.025 56.158 58.100 0.140 0.000 1.037 137 Y CB 1.841 40.357 38.460 0.094 0.000 1.305 137 Y HN 0.836 nan 8.280 nan 0.000 0.463 138 F N 2.829 122.919 119.950 0.232 0.000 2.576 138 F HA 0.674 5.241 4.527 0.068 0.000 0.313 138 F C -1.457 174.546 175.800 0.337 0.000 1.078 138 F CA -0.538 57.615 58.000 0.255 0.000 0.921 138 F CB 2.185 41.455 39.000 0.449 0.000 1.232 138 F HN 0.800 nan 8.300 nan 0.000 0.459 139 Q N 5.628 124.925 119.800 -0.839 0.000 2.340 139 Q HA 0.577 4.957 4.340 0.066 0.000 0.276 139 Q C -3.310 172.017 176.000 -1.122 0.000 1.048 139 Q CA -2.291 53.104 55.803 -0.680 0.000 0.832 139 Q CB 2.838 31.495 28.738 -0.136 0.000 1.373 139 Q HN 0.328 nan 8.270 nan 0.000 0.409 140 P HA 0.053 nan 4.420 nan 0.000 0.276 140 P C -0.364 176.790 177.300 -0.244 0.000 1.244 140 P CA -0.166 62.673 63.100 -0.435 0.000 0.801 140 P CB 0.736 32.359 31.700 -0.129 0.000 1.006 141 Y N 0.507 120.744 120.300 -0.104 0.000 2.337 141 Y HA -0.053 4.537 4.550 0.067 0.000 0.293 141 Y C 1.468 177.340 175.900 -0.045 0.000 1.123 141 Y CA 0.487 58.549 58.100 -0.063 0.000 1.201 141 Y CB 0.243 38.674 38.460 -0.048 0.000 1.011 141 Y HN 0.375 nan 8.280 nan 0.000 0.545 142 K N -1.131 119.332 120.400 0.106 0.000 2.579 142 K HA 0.365 4.725 4.320 0.066 0.000 0.284 142 K C -0.990 175.615 176.600 0.009 0.000 0.990 142 K CA -0.912 55.405 56.287 0.050 0.000 0.880 142 K CB 1.503 34.034 32.500 0.052 0.000 1.488 142 K HN -0.244 nan 8.250 nan 0.000 0.425 143 S N 1.043 116.745 115.700 0.004 0.000 2.549 143 S HA 0.146 4.656 4.470 0.066 0.000 0.286 143 S C 0.407 174.996 174.600 -0.017 0.000 1.314 143 S CA -0.591 57.601 58.200 -0.012 0.000 1.062 143 S CB -0.112 63.085 63.200 -0.005 0.000 0.865 143 S HN 0.564 nan 8.310 nan 0.000 0.498 144 L N 4.655 125.857 121.223 -0.035 0.000 2.872 144 L HA 0.124 4.504 4.340 0.066 0.000 0.245 144 L C 1.978 178.833 176.870 -0.025 0.000 1.211 144 L CA -0.014 54.812 54.840 -0.024 0.000 1.013 144 L CB -0.217 41.826 42.059 -0.026 0.000 1.326 144 L HN 0.866 nan 8.230 nan 0.000 0.525 145 S N -1.778 113.905 115.700 -0.027 0.000 2.440 145 S HA -0.186 4.324 4.470 0.066 0.000 0.238 145 S C 1.236 175.821 174.600 -0.025 0.000 1.010 145 S CA 1.064 59.247 58.200 -0.029 0.000 0.972 145 S CB -0.170 63.017 63.200 -0.021 0.000 0.774 145 S HN 0.408 nan 8.310 nan 0.000 0.501 146 D N 1.985 122.375 120.400 -0.016 0.000 2.264 146 D HA 0.029 4.709 4.640 0.066 0.000 0.208 146 D C 1.841 178.127 176.300 -0.023 0.000 0.966 146 D CA 1.325 55.316 54.000 -0.015 0.000 0.864 146 D CB -0.159 40.637 40.800 -0.006 0.000 0.933 146 D HN 0.784 nan 8.370 nan 0.000 0.499 147 I N -3.844 116.713 120.570 -0.020 0.000 4.139 147 I HA 0.209 4.418 4.170 0.066 0.000 0.320 147 I C 0.480 176.560 176.117 -0.063 0.000 1.290 147 I CA 0.061 61.341 61.300 -0.033 0.000 1.253 147 I CB 1.134 39.136 38.000 0.003 0.000 1.122 147 I HN -0.258 nan 8.210 nan 0.000 0.421 148 T N 1.639 116.159 114.554 -0.058 0.000 2.956 148 T HA 0.324 4.714 4.350 0.066 0.000 0.312 148 T C -0.090 174.561 174.700 -0.083 0.000 1.151 148 T CA -0.705 61.342 62.100 -0.088 0.000 1.024 148 T CB 1.831 70.635 68.868 -0.106 0.000 1.140 148 T HN 0.431 nan 8.240 nan 0.000 0.473 149 K N 2.429 122.779 120.400 -0.083 0.000 2.387 149 K HA 0.580 4.940 4.320 0.066 0.000 0.198 149 K C 0.720 177.284 176.600 -0.059 0.000 1.022 149 K CA -0.338 55.911 56.287 -0.062 0.000 1.128 149 K CB 0.274 32.743 32.500 -0.051 0.000 0.853 149 K HN 0.510 nan 8.250 nan 0.000 0.523 150 A N 2.199 124.962 122.820 -0.095 0.000 2.561 150 A HA -0.084 4.275 4.320 0.066 0.000 0.251 150 A C 0.597 178.147 177.584 -0.058 0.000 1.062 150 A CA 0.262 52.253 52.037 -0.078 0.000 0.761 150 A CB -0.026 18.863 19.000 -0.184 0.000 0.986 150 A HN 0.486 nan 8.150 nan 0.000 0.510 151 D N 2.154 122.594 120.400 0.066 0.000 2.178 151 D HA -0.208 4.472 4.640 0.066 0.000 0.201 151 D C 1.298 177.674 176.300 0.127 0.000 0.980 151 D CA 2.121 56.173 54.000 0.086 0.000 0.842 151 D CB -0.224 40.650 40.800 0.123 0.000 0.948 151 D HN 0.730 nan 8.370 nan 0.000 0.472 152 F N -0.848 119.122 119.950 0.033 0.000 2.699 152 F HA 0.212 4.779 4.527 0.067 0.000 0.298 152 F C 0.971 176.863 175.800 0.153 0.000 1.154 152 F CA 0.282 58.344 58.000 0.104 0.000 1.457 152 F CB -0.157 38.895 39.000 0.088 0.000 1.106 152 F HN -0.074 nan 8.300 nan 0.000 0.585 153 L N 0.715 121.635 121.223 -0.504 0.000 2.857 153 L HA 0.198 4.578 4.340 0.066 0.000 0.249 153 L C 1.831 178.610 176.870 -0.152 0.000 1.172 153 L CA 0.325 54.929 54.840 -0.393 0.000 0.980 153 L CB 0.020 41.735 42.059 -0.572 0.000 1.299 153 L HN 0.326 nan 8.230 nan 0.000 0.535 154 S N -2.462 113.193 115.700 -0.074 0.000 2.503 154 S HA 0.056 4.566 4.470 0.066 0.000 0.217 154 S C 0.368 174.964 174.600 -0.006 0.000 0.999 154 S CA -0.113 58.067 58.200 -0.034 0.000 0.914 154 S CB 0.190 63.384 63.200 -0.010 0.000 0.782 154 S HN 0.342 nan 8.310 nan 0.000 0.520 155 D N 0.715 121.121 120.400 0.009 0.000 2.966 155 D HA 0.335 5.015 4.640 0.066 0.000 0.222 155 D C -2.591 173.722 176.300 0.021 0.000 1.292 155 D CA -1.855 52.157 54.000 0.020 0.000 0.907 155 D CB 2.109 42.929 40.800 0.034 0.000 1.621 155 D HN -0.156 nan 8.370 nan 0.000 0.557 156 P HA -0.018 nan 4.420 nan 0.000 0.228 156 P C 0.237 177.550 177.300 0.021 0.000 1.151 156 P CA 0.565 63.674 63.100 0.014 0.000 0.770 156 P CB 0.391 32.112 31.700 0.036 0.000 0.786 157 N N -0.299 118.419 118.700 0.031 0.000 2.214 157 N HA 0.080 4.859 4.740 0.066 0.000 0.214 157 N C 0.230 175.769 175.510 0.049 0.000 1.132 157 N CA 0.085 53.156 53.050 0.036 0.000 0.856 157 N CB 0.628 39.132 38.487 0.029 0.000 1.020 157 N HN 0.259 nan 8.380 nan 0.000 0.509 158 K N 1.334 121.775 120.400 0.068 0.000 2.234 158 K HA 0.402 4.762 4.320 0.066 0.000 0.277 158 K C -0.084 176.606 176.600 0.150 0.000 1.038 158 K CA -0.315 56.034 56.287 0.103 0.000 0.888 158 K CB 1.816 34.385 32.500 0.115 0.000 1.091 158 K HN -0.054 nan 8.250 nan 0.000 0.467 159 I N 2.341 123.000 120.570 0.148 0.000 2.396 159 I HA 0.138 4.348 4.170 0.066 0.000 0.292 159 I C 0.101 176.390 176.117 0.286 0.000 0.999 159 I CA -0.217 61.206 61.300 0.206 0.000 1.310 159 I CB 1.671 39.736 38.000 0.108 0.000 1.404 159 I HN 0.454 nan 8.210 nan 0.000 0.496 160 T N 6.939 121.749 114.554 0.426 0.000 2.809 160 T HA 0.352 4.742 4.350 0.066 0.000 0.284 160 T C -2.482 172.482 174.700 0.441 0.000 0.992 160 T CA -1.346 61.028 62.100 0.457 0.000 0.957 160 T CB 1.801 71.053 68.868 0.642 0.000 0.942 160 T HN 0.248 nan 8.240 nan 0.000 0.439 161 P HA 0.280 nan 4.420 nan 0.000 0.269 161 P C -0.700 176.849 177.300 0.415 0.000 1.209 161 P CA -0.410 62.891 63.100 0.335 0.000 0.776 161 P CB 0.584 32.406 31.700 0.203 0.000 0.876 162 V N -0.268 119.831 119.914 0.309 0.000 3.102 162 V HA 0.746 4.906 4.120 0.066 0.000 0.312 162 V C -1.339 174.927 176.094 0.286 0.000 1.135 162 V CA -0.937 61.448 62.300 0.142 0.000 1.022 162 V CB 2.258 33.938 31.823 -0.237 0.000 1.056 162 V HN 0.330 nan 8.190 nan 0.000 0.436 163 F N 1.669 121.612 119.950 -0.012 0.000 2.561 163 F HA 0.859 5.425 4.527 0.065 0.000 0.313 163 F C -1.014 174.687 175.800 -0.165 0.000 1.126 163 F CA -0.763 57.164 58.000 -0.121 0.000 0.918 163 F CB 2.041 41.003 39.000 -0.063 0.000 1.199 163 F HN 0.533 nan 8.300 nan 0.000 0.444 164 V N 6.471 125.892 119.914 -0.822 0.000 2.656 164 V HA 0.587 4.746 4.120 0.066 0.000 0.307 164 V C -0.829 174.586 176.094 -1.130 0.000 1.051 164 V CA -0.833 60.939 62.300 -0.880 0.000 0.893 164 V CB 2.105 33.364 31.823 -0.941 0.000 0.999 164 V HN 0.752 nan 8.190 nan 0.000 0.426 165 R N 3.414 123.240 120.500 -1.123 0.000 2.480 165 R HA 0.634 5.014 4.340 0.066 0.000 0.306 165 R C -1.697 173.967 176.300 -1.061 0.000 0.958 165 R CA -0.425 55.103 56.100 -0.953 0.000 0.861 165 R CB 1.238 31.153 30.300 -0.641 0.000 1.171 165 R HN 0.554 nan 8.270 nan 0.000 0.445 166 F N 2.001 121.523 119.950 -0.714 0.000 2.425 166 F HA 0.503 5.071 4.527 0.068 0.000 0.331 166 F C 0.420 175.835 175.800 -0.641 0.000 1.085 166 F CA -0.265 57.190 58.000 -0.909 0.000 1.028 166 F CB 2.164 40.114 39.000 -1.749 0.000 1.177 166 F HN 0.566 nan 8.300 nan 0.000 0.487 167 S N -0.835 114.777 115.700 -0.146 0.000 2.596 167 S HA 0.648 5.158 4.470 0.066 0.000 0.270 167 S C -0.487 174.255 174.600 0.237 0.000 1.155 167 S CA -0.894 57.370 58.200 0.107 0.000 0.827 167 S CB 1.402 64.717 63.200 0.191 0.000 1.130 167 S HN 0.712 nan 8.310 nan 0.000 0.467 168 T N -1.293 113.402 114.554 0.235 0.000 2.865 168 T HA 0.625 5.015 4.350 0.066 0.000 0.302 168 T C 0.859 175.536 174.700 -0.038 0.000 1.078 168 T CA -0.040 62.157 62.100 0.162 0.000 0.942 168 T CB 0.110 69.075 68.868 0.162 0.000 1.387 168 T HN 0.609 nan 8.240 nan 0.000 0.557 169 V N -0.137 119.712 119.914 -0.107 0.000 2.948 169 V HA 0.140 4.300 4.120 0.066 0.000 0.234 169 V C 2.700 178.722 176.094 -0.120 0.000 1.205 169 V CA 0.335 62.441 62.300 -0.323 0.000 1.234 169 V CB -0.252 31.453 31.823 -0.196 0.000 1.020 169 V HN 0.863 nan 8.190 nan 0.000 0.491 170 Q N 1.039 120.807 119.800 -0.053 0.000 2.165 170 Q HA 0.109 4.489 4.340 0.066 0.000 0.197 170 Q C 1.240 177.221 176.000 -0.032 0.000 0.952 170 Q CA 1.242 57.013 55.803 -0.054 0.000 0.848 170 Q CB 0.053 28.747 28.738 -0.073 0.000 0.931 170 Q HN 0.583 nan 8.270 nan 0.000 0.470 171 G N -0.108 108.687 108.800 -0.007 0.000 2.572 171 G HA2 0.422 4.421 3.960 0.066 0.000 0.261 171 G HA3 0.422 4.421 3.960 0.066 0.000 0.261 171 G C 0.084 174.995 174.900 0.019 0.000 1.197 171 G CA 0.042 45.142 45.100 -0.000 0.000 0.870 171 G HN 0.311 nan 8.290 nan 0.000 0.548 172 G N -1.133 107.673 108.800 0.010 0.000 2.684 172 G HA2 0.463 4.463 3.960 0.066 0.000 0.255 172 G HA3 0.463 4.463 3.960 0.066 0.000 0.255 172 G C 1.341 176.272 174.900 0.053 0.000 1.219 172 G CA 0.446 45.560 45.100 0.025 0.000 0.901 172 G HN 1.097 nan 8.290 nan 0.000 0.548 173 A N -0.346 122.516 122.820 0.070 0.000 2.076 173 A HA 0.113 4.473 4.320 0.066 0.000 0.220 173 A C 2.156 179.781 177.584 0.068 0.000 1.160 173 A CA 1.929 54.025 52.037 0.098 0.000 0.653 173 A CB -0.297 18.779 19.000 0.126 0.000 0.801 173 A HN 1.175 nan 8.150 nan 0.000 0.455 174 G N -0.111 108.710 108.800 0.035 0.000 3.523 174 G HA2 0.363 4.363 3.960 0.066 0.000 0.270 174 G HA3 0.363 4.363 3.960 0.066 0.000 0.270 174 G C 0.596 175.501 174.900 0.008 0.000 1.134 174 G CA 0.614 45.721 45.100 0.011 0.000 0.825 174 G HN 0.628 nan 8.290 nan 0.000 0.534 175 S N -0.247 115.466 115.700 0.023 0.000 2.661 175 S HA 0.760 5.270 4.470 0.066 0.000 0.265 175 S C 0.489 175.107 174.600 0.029 0.000 1.225 175 S CA -0.112 58.098 58.200 0.017 0.000 0.986 175 S CB 1.569 64.781 63.200 0.019 0.000 1.008 175 S HN 0.568 nan 8.310 nan 0.000 0.565 176 A N 0.058 122.892 122.820 0.023 0.000 2.302 176 A HA 0.448 4.808 4.320 0.066 0.000 0.285 176 A C 0.581 178.193 177.584 0.047 0.000 1.105 176 A CA -0.598 51.450 52.037 0.019 0.000 0.816 176 A CB -0.045 18.949 19.000 -0.010 0.000 1.067 176 A HN 0.851 nan 8.150 nan 0.000 0.489 177 D N 0.460 120.877 120.400 0.029 0.000 2.120 177 D HA -0.067 4.613 4.640 0.066 0.000 0.202 177 D C 1.627 177.917 176.300 -0.018 0.000 0.972 177 D CA 2.266 56.296 54.000 0.050 0.000 0.837 177 D CB -0.226 40.559 40.800 -0.025 0.000 0.989 177 D HN 0.678 nan 8.370 nan 0.000 0.469 178 T N -0.149 114.312 114.554 -0.156 0.000 3.332 178 T HA 0.281 4.671 4.350 0.066 0.000 0.246 178 T C 0.852 175.546 174.700 -0.009 0.000 0.943 178 T CA -0.561 61.442 62.100 -0.161 0.000 0.922 178 T CB -0.948 67.747 68.868 -0.287 0.000 1.086 178 T HN -0.078 nan 8.240 nan 0.000 0.590 179 V N -1.238 118.720 119.914 0.073 0.000 3.376 179 V HA 0.418 4.578 4.120 0.066 0.000 0.303 179 V C 0.713 176.954 176.094 0.245 0.000 1.100 179 V CA -1.374 61.020 62.300 0.158 0.000 1.126 179 V CB 0.346 32.249 31.823 0.133 0.000 1.085 179 V HN 0.546 nan 8.190 nan 0.000 0.480 180 R N 1.556 122.252 120.500 0.327 0.000 2.216 180 R HA 0.480 4.859 4.340 0.066 0.000 0.332 180 R C -1.000 175.382 176.300 0.138 0.000 1.056 180 R CA -0.075 56.169 56.100 0.240 0.000 0.901 180 R CB 0.157 30.534 30.300 0.127 0.000 1.039 180 R HN 1.061 nan 8.270 nan 0.000 0.456 181 D N 3.270 123.761 120.400 0.152 0.000 2.710 181 D HA 0.172 4.852 4.640 0.066 0.000 0.276 181 D C -0.604 175.806 176.300 0.184 0.000 1.267 181 D CA -0.610 53.469 54.000 0.131 0.000 0.772 181 D CB 1.190 42.060 40.800 0.117 0.000 1.299 181 D HN 0.215 nan 8.370 nan 0.000 0.421 182 I N 1.351 122.045 120.570 0.208 0.000 2.836 182 I HA 0.214 4.424 4.170 0.066 0.000 0.285 182 I C 0.873 177.125 176.117 0.225 0.000 1.174 182 I CA -0.013 61.420 61.300 0.222 0.000 1.405 182 I CB 0.020 38.180 38.000 0.266 0.000 1.385 182 I HN 0.243 nan 8.210 nan 0.000 0.594 183 R N 2.755 123.410 120.500 0.258 0.000 2.589 183 R HA 0.554 4.934 4.340 0.066 0.000 0.293 183 R C -0.033 176.456 176.300 0.315 0.000 0.963 183 R CA -0.742 55.530 56.100 0.287 0.000 0.905 183 R CB 1.450 31.943 30.300 0.321 0.000 1.144 183 R HN 0.806 nan 8.270 nan 0.000 0.459 184 G N 0.917 109.923 108.800 0.343 0.000 2.448 184 G HA2 0.468 4.468 3.960 0.066 0.000 0.285 184 G HA3 0.468 4.468 3.960 0.066 0.000 0.285 184 G C -1.242 173.735 174.900 0.128 0.000 1.176 184 G CA -0.039 45.231 45.100 0.283 0.000 0.852 184 G HN 0.364 nan 8.290 nan 0.000 0.530 185 F N 1.639 121.480 119.950 -0.181 0.000 3.090 185 F HA 0.621 5.187 4.527 0.066 0.000 0.381 185 F C -0.277 175.219 175.800 -0.506 0.000 1.231 185 F CA -1.817 55.973 58.000 -0.350 0.000 1.177 185 F CB 0.899 39.815 39.000 -0.139 0.000 1.598 185 F HN 0.675 nan 8.300 nan 0.000 0.589 186 A N 3.192 125.734 122.820 -0.463 0.000 2.318 186 A HA 0.796 5.156 4.320 0.066 0.000 0.324 186 A C -0.600 176.543 177.584 -0.735 0.000 1.170 186 A CA -0.440 51.160 52.037 -0.728 0.000 0.810 186 A CB 0.837 19.041 19.000 -1.326 0.000 1.198 186 A HN 0.529 nan 8.150 nan 0.000 0.484 187 T N 2.421 116.711 114.554 -0.441 0.000 2.847 187 T HA 0.351 4.741 4.350 0.066 0.000 0.291 187 T C -0.362 174.138 174.700 -0.333 0.000 0.998 187 T CA -0.481 61.359 62.100 -0.433 0.000 0.967 187 T CB 0.961 69.495 68.868 -0.556 0.000 0.954 187 T HN 0.646 nan 8.240 nan 0.000 0.441 188 K N 3.773 124.064 120.400 -0.180 0.000 2.253 188 K HA 0.431 4.791 4.320 0.066 0.000 0.277 188 K C -1.239 175.024 176.600 -0.562 0.000 1.053 188 K CA -0.529 55.549 56.287 -0.348 0.000 0.892 188 K CB 0.288 32.519 32.500 -0.449 0.000 1.102 188 K HN 0.376 nan 8.250 nan 0.000 0.469 189 F N 4.155 123.798 119.950 -0.513 0.000 2.405 189 F HA 0.241 4.807 4.527 0.065 0.000 0.355 189 F C -0.434 175.147 175.800 -0.365 0.000 1.121 189 F CA -0.609 57.166 58.000 -0.375 0.000 1.112 189 F CB 0.795 39.486 39.000 -0.514 0.000 1.126 189 F HN 0.435 nan 8.300 nan 0.000 0.481 190 Y N 1.800 122.166 120.300 0.110 0.000 2.802 190 Y HA 0.239 4.829 4.550 0.066 0.000 0.330 190 Y C 0.941 176.899 175.900 0.096 0.000 1.193 190 Y CA -0.858 57.284 58.100 0.069 0.000 1.427 190 Y CB 0.017 38.508 38.460 0.050 0.000 1.357 190 Y HN 0.552 nan 8.280 nan 0.000 0.501 191 T N -2.418 112.230 114.554 0.158 0.000 2.847 191 T HA 0.181 4.571 4.350 0.066 0.000 0.279 191 T C 1.015 175.808 174.700 0.154 0.000 0.984 191 T CA -0.684 61.513 62.100 0.162 0.000 0.988 191 T CB 1.113 70.039 68.868 0.096 0.000 1.040 191 T HN 0.641 nan 8.240 nan 0.000 0.528 192 E N 0.080 120.376 120.200 0.160 0.000 2.409 192 E HA -0.053 4.337 4.350 0.066 0.000 0.198 192 E C 1.056 177.722 176.600 0.110 0.000 1.024 192 E CA 0.761 57.237 56.400 0.127 0.000 0.861 192 E CB 0.124 29.895 29.700 0.119 0.000 0.788 192 E HN 0.733 nan 8.360 nan 0.000 0.521 193 E N 0.027 120.295 120.200 0.112 0.000 2.651 193 E HA 0.254 4.644 4.350 0.066 0.000 0.208 193 E C 0.078 176.724 176.600 0.077 0.000 0.997 193 E CA -0.234 56.224 56.400 0.096 0.000 1.020 193 E CB 1.299 31.059 29.700 0.101 0.000 1.052 193 E HN 0.181 nan 8.360 nan 0.000 0.465 194 G N 1.050 109.891 108.800 0.069 0.000 2.357 194 G HA2 -0.098 3.901 3.960 0.066 0.000 0.643 194 G HA3 -0.098 3.901 3.960 0.066 0.000 0.643 194 G C -0.988 173.918 174.900 0.010 0.000 1.358 194 G CA -1.128 43.990 45.100 0.030 0.000 0.986 194 G HN 0.011 nan 8.290 nan 0.000 0.620 195 I N 0.691 121.234 120.570 -0.045 0.000 2.556 195 I HA 0.393 4.603 4.170 0.066 0.000 0.284 195 I C 0.054 176.170 176.117 -0.000 0.000 1.114 195 I CA -0.046 61.200 61.300 -0.090 0.000 1.418 195 I CB 0.732 38.611 38.000 -0.202 0.000 1.394 195 I HN 0.459 nan 8.210 nan 0.000 0.552 196 F N 6.644 126.472 119.950 -0.203 0.000 2.449 196 F HA 0.453 5.019 4.527 0.064 0.000 0.342 196 F C -0.586 175.160 175.800 -0.090 0.000 1.127 196 F CA -1.240 56.635 58.000 -0.208 0.000 0.975 196 F CB 0.836 39.533 39.000 -0.505 0.000 1.146 196 F HN 0.344 nan 8.300 nan 0.000 0.444 197 D N 6.796 126.980 120.400 -0.359 0.000 2.303 197 D HA 0.258 4.938 4.640 0.066 0.000 0.236 197 D C -0.698 175.103 176.300 -0.832 0.000 1.068 197 D CA 0.009 53.743 54.000 -0.444 0.000 0.830 197 D CB 2.272 43.004 40.800 -0.114 0.000 1.109 197 D HN 0.633 nan 8.370 nan 0.000 0.496 198 L N 3.198 123.880 121.223 -0.900 0.000 2.264 198 L HA 0.311 4.691 4.340 0.066 0.000 0.287 198 L C -0.998 175.632 176.870 -0.400 0.000 1.039 198 L CA -0.622 53.767 54.840 -0.751 0.000 0.829 198 L CB 0.729 42.351 42.059 -0.729 0.000 1.211 198 L HN 0.054 nan 8.230 nan 0.000 0.427 199 V N 5.628 125.350 119.914 -0.320 0.000 2.240 199 V HA 0.488 4.648 4.120 0.066 0.000 0.265 199 V C 0.788 176.775 176.094 -0.178 0.000 1.073 199 V CA -0.318 61.811 62.300 -0.285 0.000 0.857 199 V CB 0.555 32.168 31.823 -0.350 0.000 1.114 199 V HN 0.837 nan 8.190 nan 0.000 0.469 200 G N 3.121 111.830 108.800 -0.151 0.000 2.820 200 G HA2 0.658 4.658 3.960 0.066 0.000 0.291 200 G HA3 0.658 4.658 3.960 0.066 0.000 0.291 200 G C -0.820 174.098 174.900 0.030 0.000 1.323 200 G CA -0.590 44.479 45.100 -0.053 0.000 1.055 200 G HN 0.479 nan 8.290 nan 0.000 0.520 201 N N -1.019 117.746 118.700 0.109 0.000 2.761 201 N HA 0.229 5.009 4.740 0.066 0.000 0.283 201 N C 0.319 176.003 175.510 0.290 0.000 1.377 201 N CA -0.740 52.434 53.050 0.206 0.000 0.791 201 N CB 1.393 39.991 38.487 0.185 0.000 1.540 201 N HN 0.523 nan 8.380 nan 0.000 0.539 202 N N -1.308 117.579 118.700 0.312 0.000 2.314 202 N HA -0.014 4.766 4.740 0.066 0.000 0.200 202 N C -0.351 175.402 175.510 0.406 0.000 1.135 202 N CA -0.045 53.244 53.050 0.398 0.000 0.835 202 N CB -0.179 38.521 38.487 0.355 0.000 0.989 202 N HN 0.556 nan 8.380 nan 0.000 0.478 203 T N -3.706 110.900 114.554 0.085 0.000 2.906 203 T HA 0.467 4.857 4.350 0.066 0.000 0.295 203 T C -2.715 171.350 174.700 -1.059 0.000 1.075 203 T CA -1.598 60.118 62.100 -0.640 0.000 1.005 203 T CB 3.056 71.439 68.868 -0.808 0.000 1.136 203 T HN -0.222 nan 8.240 nan 0.000 0.498 204 P HA 0.245 nan 4.420 nan 0.000 0.257 204 P C 0.276 177.064 177.300 -0.853 0.000 1.281 204 P CA -0.067 62.150 63.100 -1.472 0.000 0.826 204 P CB -0.075 30.680 31.700 -1.576 0.000 1.237 205 I N -4.266 115.774 120.570 -0.883 0.000 3.343 205 I HA 0.570 4.780 4.170 0.066 0.000 0.315 205 I C -1.372 174.483 176.117 -0.437 0.000 1.153 205 I CA -1.989 58.949 61.300 -0.604 0.000 0.952 205 I CB 1.304 38.906 38.000 -0.663 0.000 1.287 205 I HN -0.241 nan 8.210 nan 0.000 0.472 206 F N 0.047 119.718 119.950 -0.464 0.000 2.618 206 F HA 0.515 5.084 4.527 0.069 0.000 0.332 206 F C 0.317 175.874 175.800 -0.406 0.000 1.061 206 F CA -0.753 57.012 58.000 -0.392 0.000 0.974 206 F CB 2.009 40.918 39.000 -0.152 0.000 1.310 206 F HN 0.365 nan 8.300 nan 0.000 0.491 207 F N 2.269 121.404 119.950 -1.357 0.000 2.325 207 F HA 0.056 4.622 4.527 0.065 0.000 0.299 207 F C 0.665 176.168 175.800 -0.496 0.000 1.090 207 F CA 0.777 58.197 58.000 -0.967 0.000 1.392 207 F CB -0.096 37.929 39.000 -1.625 0.000 1.053 207 F HN 0.139 nan 8.300 nan 0.000 0.521 208 I N -3.568 116.976 120.570 -0.043 0.000 3.042 208 I HA 0.375 4.585 4.170 0.066 0.000 0.310 208 I C 0.342 176.615 176.117 0.259 0.000 1.117 208 I CA -0.850 60.549 61.300 0.164 0.000 1.003 208 I CB 1.919 40.087 38.000 0.280 0.000 1.228 208 I HN -0.190 nan 8.210 nan 0.000 0.443 209 Q N 0.264 120.215 119.800 0.251 0.000 2.259 209 Q HA 0.137 4.517 4.340 0.066 0.000 0.201 209 Q C -0.304 175.876 176.000 0.299 0.000 0.938 209 Q CA 0.657 56.647 55.803 0.311 0.000 0.872 209 Q CB 0.490 29.479 28.738 0.419 0.000 0.971 209 Q HN 0.641 nan 8.270 nan 0.000 0.494 210 D N -1.108 119.440 120.400 0.247 0.000 2.505 210 D HA 0.295 4.975 4.640 0.066 0.000 0.249 210 D C 0.051 176.482 176.300 0.218 0.000 1.082 210 D CA -0.207 53.909 54.000 0.193 0.000 0.839 210 D CB 1.818 42.704 40.800 0.143 0.000 1.317 210 D HN 0.067 nan 8.370 nan 0.000 0.497 211 A N 3.401 126.319 122.820 0.162 0.000 2.084 211 A HA -0.258 4.102 4.320 0.066 0.000 0.221 211 A C 1.773 179.481 177.584 0.206 0.000 1.161 211 A CA 1.787 53.913 52.037 0.147 0.000 0.653 211 A CB -0.765 18.265 19.000 0.051 0.000 0.802 211 A HN 0.807 nan 8.150 nan 0.000 0.457 212 H N -0.122 119.015 119.070 0.111 0.000 2.456 212 H HA 0.030 4.624 4.556 0.064 0.000 0.296 212 H C 1.613 177.024 175.328 0.137 0.000 1.079 212 H CA 1.788 57.894 56.048 0.096 0.000 1.322 212 H CB 0.049 29.842 29.762 0.052 0.000 1.388 212 H HN 0.412 nan 8.280 nan 0.000 0.538 213 K N -0.588 119.930 120.400 0.196 0.000 2.444 213 K HA -0.041 4.319 4.320 0.066 0.000 0.193 213 K C 1.373 178.105 176.600 0.220 0.000 1.024 213 K CA 0.027 56.429 56.287 0.193 0.000 1.077 213 K CB 0.048 32.724 32.500 0.292 0.000 0.833 213 K HN 0.287 nan 8.250 nan 0.000 0.517 214 F N 2.890 122.892 119.950 0.087 0.000 2.126 214 F HA -0.141 4.426 4.527 0.067 0.000 0.299 214 F C -1.027 174.778 175.800 0.007 0.000 1.096 214 F CA 1.322 59.398 58.000 0.127 0.000 1.255 214 F CB -0.385 38.675 39.000 0.101 0.000 0.997 214 F HN 0.016 nan 8.300 nan 0.000 0.479 215 P HA -0.108 nan 4.420 nan 0.000 0.221 215 P C 0.950 177.915 177.300 -0.558 0.000 1.150 215 P CA 1.492 64.352 63.100 -0.400 0.000 0.800 215 P CB -0.034 31.451 31.700 -0.359 0.000 0.787 216 D N -1.210 119.010 120.400 -0.300 0.000 2.084 216 D HA -0.145 4.535 4.640 0.066 0.000 0.196 216 D C 1.775 177.749 176.300 -0.543 0.000 0.985 216 D CA 1.043 54.895 54.000 -0.247 0.000 0.826 216 D CB -0.818 40.013 40.800 0.051 0.000 0.978 216 D HN 0.148 nan 8.370 nan 0.000 0.456 217 F N 1.927 121.437 119.950 -0.733 0.000 2.075 217 F HA -0.230 4.336 4.527 0.065 0.000 0.297 217 F C 2.268 177.675 175.800 -0.655 0.000 1.113 217 F CA 1.189 58.574 58.000 -1.025 0.000 1.218 217 F CB -0.244 38.391 39.000 -0.607 0.000 0.984 217 F HN -0.251 nan 8.300 nan 0.000 0.472 218 V N 0.307 119.788 119.914 -0.721 0.000 2.343 218 V HA -0.342 3.818 4.120 0.066 0.000 0.247 218 V C 2.279 178.135 176.094 -0.397 0.000 1.051 218 V CA 2.458 64.372 62.300 -0.642 0.000 1.036 218 V CB -1.068 30.406 31.823 -0.581 0.000 0.654 218 V HN 0.484 nan 8.190 nan 0.000 0.451 219 H N -0.305 118.525 119.070 -0.400 0.000 2.387 219 H HA -0.118 4.478 4.556 0.066 0.000 0.299 219 H C 2.328 177.501 175.328 -0.258 0.000 1.090 219 H CA 1.003 56.899 56.048 -0.255 0.000 1.332 219 H CB 0.035 29.699 29.762 -0.163 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.432 123.074 122.820 -0.297 0.000 1.933 220 A HA -0.117 4.243 4.320 0.066 0.000 0.218 220 A C 2.475 179.901 177.584 -0.262 0.000 1.175 220 A CA 1.420 53.275 52.037 -0.303 0.000 0.628 220 A CB -0.673 18.026 19.000 -0.501 0.000 0.814 220 A HN 0.312 nan 8.150 nan 0.000 0.444 221 V N -0.375 119.245 119.914 -0.489 0.000 2.788 221 V HA 0.020 4.180 4.120 0.066 0.000 0.251 221 V C 0.847 176.915 176.094 -0.044 0.000 1.068 221 V CA 0.715 62.825 62.300 -0.316 0.000 1.090 221 V CB -0.485 30.957 31.823 -0.636 0.000 0.710 221 V HN 0.318 nan 8.190 nan 0.000 0.467 222 K N 1.045 121.383 120.400 -0.103 0.000 2.187 222 K HA 0.222 4.582 4.320 0.066 0.000 0.247 222 K C -2.305 174.246 176.600 -0.082 0.000 1.019 222 K CA -1.695 54.543 56.287 -0.081 0.000 0.893 222 K CB -0.214 32.231 32.500 -0.091 0.000 1.025 222 K HN 0.155 nan 8.250 nan 0.000 0.500 223 P HA -0.059 nan 4.420 nan 0.000 0.264 223 P C -0.488 176.748 177.300 -0.106 0.000 1.183 223 P CA 0.566 63.529 63.100 -0.227 0.000 0.763 223 P CB 0.333 31.914 31.700 -0.198 0.000 0.807 224 E N 5.736 125.917 120.200 -0.031 0.000 2.398 224 E HA -0.011 4.379 4.350 0.066 0.000 0.263 224 E C -1.253 175.420 176.600 0.122 0.000 1.046 224 E CA -1.277 55.214 56.400 0.151 0.000 0.908 224 E CB 0.134 30.052 29.700 0.363 0.000 0.963 224 E HN 0.431 nan 8.360 nan 0.000 0.431 225 P HA -0.181 nan 4.420 nan 0.000 0.225 225 P C 0.996 178.365 177.300 0.114 0.000 1.156 225 P CA 1.285 64.424 63.100 0.066 0.000 0.787 225 P CB 0.063 31.776 31.700 0.022 0.000 0.802 226 H N -0.557 118.550 119.070 0.063 0.000 2.326 226 H HA -0.086 4.510 4.556 0.066 0.000 0.301 226 H C 1.492 176.916 175.328 0.161 0.000 1.081 226 H CA 1.465 57.538 56.048 0.042 0.000 1.334 226 H CB -1.360 28.357 29.762 -0.076 0.000 1.385 226 H HN 0.298 nan 8.280 nan 0.000 0.504 227 W N 0.118 121.028 121.300 -0.650 0.000 2.870 227 W HA 0.693 5.392 4.660 0.066 0.000 0.358 227 W C 0.431 176.778 176.519 -0.287 0.000 1.043 227 W CA -1.072 56.027 57.345 -0.410 0.000 1.692 227 W CB -0.748 28.461 29.460 -0.419 0.000 1.100 227 W HN 0.447 nan 8.180 nan 0.000 0.557 228 A N 1.395 124.189 122.820 -0.044 0.000 2.610 228 A HA -0.143 4.217 4.320 0.066 0.000 0.299 228 A C -0.422 176.930 177.584 -0.386 0.000 1.487 228 A CA 1.456 53.392 52.037 -0.169 0.000 0.743 228 A CB -2.396 16.533 19.000 -0.119 0.000 1.070 228 A HN 0.472 nan 8.150 nan 0.000 0.439 229 I N 0.644 120.844 120.570 -0.617 0.000 2.686 229 I HA 0.549 4.759 4.170 0.066 0.000 0.295 229 I C -2.487 173.314 176.117 -0.527 0.000 1.114 229 I CA -2.334 58.491 61.300 -0.792 0.000 1.038 229 I CB 3.051 40.061 38.000 -1.650 0.000 1.238 229 I HN 0.231 nan 8.210 nan 0.000 0.420 230 P HA 0.304 nan 4.420 nan 0.000 0.292 230 P C -1.596 175.545 177.300 -0.264 0.000 1.300 230 P CA -0.822 62.060 63.100 -0.364 0.000 0.900 230 P CB 1.878 33.444 31.700 -0.224 0.000 1.139 231 Q N 0.918 120.605 119.800 -0.187 0.000 2.286 231 Q HA 0.482 4.862 4.340 0.066 0.000 0.257 231 Q C 1.086 177.052 176.000 -0.057 0.000 0.941 231 Q CA 1.081 56.812 55.803 -0.119 0.000 0.912 231 Q CB -0.274 28.404 28.738 -0.101 0.000 1.192 231 Q HN 0.827 nan 8.270 nan 0.000 0.410 232 G N 3.158 111.935 108.800 -0.038 0.000 2.176 232 G HA2 -0.272 3.728 3.960 0.066 0.000 0.252 232 G HA3 -0.272 3.728 3.960 0.066 0.000 0.252 232 G C -0.396 174.523 174.900 0.031 0.000 1.024 232 G CA 0.397 45.501 45.100 0.007 0.000 0.755 232 G HN 0.543 nan 8.290 nan 0.000 0.507 233 Q N -1.058 118.746 119.800 0.007 0.000 2.309 233 Q HA 0.515 4.894 4.340 0.066 0.000 0.273 233 Q C 0.668 176.681 176.000 0.021 0.000 1.040 233 Q CA -0.091 55.743 55.803 0.052 0.000 0.834 233 Q CB 1.726 30.534 28.738 0.117 0.000 1.345 233 Q HN 0.473 nan 8.270 nan 0.000 0.414 234 S N -0.563 115.039 115.700 -0.163 0.000 2.575 234 S HA 0.202 4.711 4.470 0.066 0.000 0.215 234 S C 0.875 175.386 174.600 -0.148 0.000 0.966 234 S CA -0.002 57.865 58.200 -0.556 0.000 0.911 234 S CB 0.337 62.635 63.200 -1.502 0.000 0.780 234 S HN 0.586 nan 8.310 nan 0.000 0.514 235 A N 2.374 125.320 122.820 0.210 0.000 3.063 235 A HA 0.524 4.884 4.320 0.066 0.000 0.263 235 A C 0.108 177.930 177.584 0.396 0.000 1.736 235 A CA -0.561 51.687 52.037 0.352 0.000 1.408 235 A CB -1.235 17.911 19.000 0.243 0.000 1.108 235 A HN 0.894 nan 8.150 nan 0.000 0.621 236 H N -3.597 115.680 119.070 0.344 0.000 3.003 236 H HA 0.466 5.062 4.556 0.066 0.000 0.327 236 H C -0.336 175.191 175.328 0.330 0.000 1.353 236 H CA -0.740 55.471 56.048 0.272 0.000 1.142 236 H CB 0.220 30.100 29.762 0.196 0.000 1.864 236 H HN 0.064 nan 8.280 nan 0.000 0.529 237 D N 0.289 120.877 120.400 0.313 0.000 2.104 237 D HA -0.195 4.485 4.640 0.066 0.000 0.194 237 D C 2.126 178.502 176.300 0.128 0.000 0.994 237 D CA 3.055 57.172 54.000 0.196 0.000 0.830 237 D CB -0.334 40.553 40.800 0.145 0.000 0.959 237 D HN 0.783 nan 8.370 nan 0.000 0.452 238 T N -1.426 113.207 114.554 0.132 0.000 2.759 238 T HA -0.230 4.160 4.350 0.066 0.000 0.269 238 T C 1.922 176.572 174.700 -0.083 0.000 1.042 238 T CA 0.841 62.977 62.100 0.061 0.000 1.140 238 T CB -0.769 68.181 68.868 0.137 0.000 0.864 238 T HN 0.179 nan 8.240 nan 0.000 0.455 239 F N 0.678 120.338 119.950 -0.484 0.000 2.102 239 F HA 0.094 4.660 4.527 0.066 0.000 0.298 239 F C 1.886 177.416 175.800 -0.451 0.000 1.105 239 F CA 0.680 58.312 58.000 -0.614 0.000 1.239 239 F CB -0.566 37.868 39.000 -0.944 0.000 0.991 239 F HN 0.146 nan 8.300 nan 0.000 0.474 240 W N 0.648 121.892 121.300 -0.094 0.000 2.467 240 W HA -0.088 4.613 4.660 0.068 0.000 0.275 240 W C 2.294 178.742 176.519 -0.120 0.000 1.239 240 W CA 1.036 58.317 57.345 -0.107 0.000 1.266 240 W CB -0.613 28.866 29.460 0.031 0.000 1.112 240 W HN 0.076 nan 8.180 nan 0.000 0.576 241 D N -0.577 119.868 120.400 0.076 0.000 2.092 241 D HA -0.299 4.381 4.640 0.066 0.000 0.193 241 D C 1.888 178.192 176.300 0.006 0.000 0.994 241 D CA 1.548 55.578 54.000 0.050 0.000 0.828 241 D CB -0.598 40.242 40.800 0.067 0.000 0.963 241 D HN 0.188 nan 8.370 nan 0.000 0.450 242 Y N 0.337 120.529 120.300 -0.180 0.000 2.128 242 Y HA -0.219 4.371 4.550 0.066 0.000 0.284 242 Y C 2.309 178.070 175.900 -0.233 0.000 1.154 242 Y CA 1.587 59.566 58.100 -0.202 0.000 1.149 242 Y CB -0.372 37.927 38.460 -0.269 0.000 0.976 242 Y HN -0.102 nan 8.280 nan 0.000 0.505 243 V N 0.035 119.808 119.914 -0.235 0.000 2.332 243 V HA -0.345 3.815 4.120 0.066 0.000 0.248 243 V C 2.572 178.605 176.094 -0.102 0.000 1.055 243 V CA 2.212 64.369 62.300 -0.239 0.000 1.038 243 V CB -1.176 30.406 31.823 -0.401 0.000 0.651 243 V HN 0.667 nan 8.190 nan 0.000 0.450 244 S N -0.250 115.438 115.700 -0.020 0.000 2.419 244 S HA -0.071 4.439 4.470 0.066 0.000 0.233 244 S C 1.713 176.282 174.600 -0.052 0.000 1.016 244 S CA 1.368 59.581 58.200 0.022 0.000 0.974 244 S CB -0.454 62.790 63.200 0.073 0.000 0.786 244 S HN 0.556 nan 8.310 nan 0.000 0.492 245 L N 0.031 121.174 121.223 -0.132 0.000 2.607 245 L HA 0.321 4.701 4.340 0.066 0.000 0.228 245 L C 0.483 177.178 176.870 -0.291 0.000 1.123 245 L CA 0.141 54.874 54.840 -0.177 0.000 0.890 245 L CB 0.053 42.014 42.059 -0.164 0.000 1.103 245 L HN 0.259 nan 8.230 nan 0.000 0.468 246 Q N 0.140 119.724 119.800 -0.360 0.000 3.255 246 Q HA 0.229 4.609 4.340 0.066 0.000 0.231 246 Q C -1.992 173.774 176.000 -0.391 0.000 0.935 246 Q CA -1.352 54.187 55.803 -0.440 0.000 0.714 246 Q CB 1.598 29.946 28.738 -0.651 0.000 1.345 246 Q HN -0.019 nan 8.270 nan 0.000 0.463 247 P HA -0.201 nan 4.420 nan 0.000 0.225 247 P C 1.059 178.045 177.300 -0.524 0.000 1.148 247 P CA 0.966 63.814 63.100 -0.421 0.000 0.779 247 P CB 0.249 31.667 31.700 -0.471 0.000 0.780 248 E N 0.912 120.628 120.200 -0.805 0.000 2.233 248 E HA -0.221 4.169 4.350 0.066 0.000 0.199 248 E C 1.341 177.877 176.600 -0.107 0.000 1.004 248 E CA 2.018 58.206 56.400 -0.353 0.000 0.819 248 E CB -1.311 28.268 29.700 -0.203 0.000 0.738 248 E HN 0.292 nan 8.360 nan 0.000 0.478 249 T N -0.936 113.560 114.554 -0.097 0.000 3.085 249 T HA 0.046 4.436 4.350 0.066 0.000 0.263 249 T C 1.901 176.652 174.700 0.085 0.000 1.127 249 T CA 0.381 62.490 62.100 0.015 0.000 1.103 249 T CB -0.235 68.668 68.868 0.058 0.000 0.921 249 T HN 0.157 nan 8.240 nan 0.000 0.510 250 L N -0.060 121.223 121.223 0.100 0.000 2.201 250 L HA -0.011 4.369 4.340 0.066 0.000 0.212 250 L C 2.808 179.839 176.870 0.268 0.000 1.105 250 L CA 1.407 56.382 54.840 0.225 0.000 0.775 250 L CB -0.660 41.547 42.059 0.246 0.000 0.913 250 L HN 0.489 nan 8.230 nan 0.000 0.440 251 H N -0.075 119.030 119.070 0.059 0.000 2.299 251 H HA -0.168 4.428 4.556 0.067 0.000 0.302 251 H C 2.082 177.395 175.328 -0.025 0.000 1.078 251 H CA 1.576 57.657 56.048 0.055 0.000 1.323 251 H CB 0.304 30.072 29.762 0.009 0.000 1.381 251 H HN 0.349 nan 8.280 nan 0.000 0.498 252 N N 0.015 118.515 118.700 -0.333 0.000 2.331 252 N HA -0.114 4.666 4.740 0.066 0.000 0.180 252 N C 1.896 177.194 175.510 -0.354 0.000 1.019 252 N CA 0.610 53.236 53.050 -0.707 0.000 0.881 252 N CB 0.341 37.946 38.487 -1.469 0.000 0.972 252 N HN 0.124 nan 8.380 nan 0.000 0.435 253 V N 1.638 121.573 119.914 0.035 0.000 2.343 253 V HA -0.255 3.905 4.120 0.066 0.000 0.247 253 V C 2.522 178.728 176.094 0.187 0.000 1.051 253 V CA 1.250 63.720 62.300 0.284 0.000 1.036 253 V CB -0.380 31.678 31.823 0.392 0.000 0.654 253 V HN 0.401 nan 8.190 nan 0.000 0.451 254 M N -1.505 118.246 119.600 0.252 0.000 2.108 254 M HA -0.216 4.304 4.480 0.066 0.000 0.261 254 M C 2.058 178.346 176.300 -0.020 0.000 1.066 254 M CA 1.874 57.326 55.300 0.254 0.000 1.107 254 M CB -1.291 31.481 32.600 0.286 0.000 1.356 254 M HN 0.482 nan 8.290 nan 0.000 0.406 255 W N 0.278 121.299 121.300 -0.465 0.000 2.358 255 W HA -0.059 4.642 4.660 0.068 0.000 0.303 255 W C 2.757 179.202 176.519 -0.124 0.000 1.208 255 W CA 1.751 58.802 57.345 -0.490 0.000 1.274 255 W CB -0.962 28.139 29.460 -0.599 0.000 1.138 255 W HN 0.287 nan 8.180 nan 0.000 0.515 256 A N -0.590 122.306 122.820 0.126 0.000 1.930 256 A HA -0.178 4.182 4.320 0.066 0.000 0.217 256 A C 1.941 179.574 177.584 0.080 0.000 1.175 256 A CA 1.648 53.764 52.037 0.131 0.000 0.627 256 A CB -0.623 18.485 19.000 0.180 0.000 0.815 256 A HN 0.080 nan 8.150 nan 0.000 0.443 257 M N 0.845 120.447 119.600 0.004 0.000 2.394 257 M HA -0.009 4.511 4.480 0.066 0.000 0.264 257 M C 1.515 177.868 176.300 0.087 0.000 1.073 257 M CA 0.911 56.163 55.300 -0.081 0.000 1.111 257 M CB -1.513 30.788 32.600 -0.498 0.000 1.401 257 M HN 0.552 nan 8.290 nan 0.000 0.448 258 S N 0.274 116.084 115.700 0.184 0.000 2.634 258 S HA 0.077 4.587 4.470 0.066 0.000 0.261 258 S C 0.730 175.470 174.600 0.234 0.000 1.271 258 S CA -0.464 57.888 58.200 0.252 0.000 0.985 258 S CB 0.956 64.359 63.200 0.337 0.000 0.968 258 S HN 0.187 nan 8.310 nan 0.000 0.568 259 D N 0.182 120.737 120.400 0.258 0.000 2.378 259 D HA 0.021 4.701 4.640 0.066 0.000 0.222 259 D C 1.772 178.224 176.300 0.252 0.000 0.980 259 D CA 0.363 54.535 54.000 0.286 0.000 0.907 259 D CB -0.142 40.890 40.800 0.387 0.000 0.899 259 D HN 0.398 nan 8.370 nan 0.000 0.527 260 R N 0.073 120.718 120.500 0.241 0.000 2.189 260 R HA -0.021 4.359 4.340 0.066 0.000 0.223 260 R C 2.004 178.464 176.300 0.268 0.000 1.092 260 R CA 0.793 57.057 56.100 0.274 0.000 0.989 260 R CB -0.554 29.979 30.300 0.388 0.000 0.876 260 R HN 0.156 nan 8.270 nan 0.000 0.457 261 G N 1.342 110.287 108.800 0.242 0.000 2.679 261 G HA2 -0.034 3.966 3.960 0.066 0.000 0.212 261 G HA3 -0.034 3.966 3.960 0.066 0.000 0.212 261 G C 1.001 176.046 174.900 0.241 0.000 1.137 261 G CA 0.084 45.317 45.100 0.222 0.000 0.787 261 G HN 0.402 nan 8.290 nan 0.000 0.534 262 I N -2.134 118.589 120.570 0.255 0.000 2.871 262 I HA 0.366 4.576 4.170 0.066 0.000 0.284 262 I C -2.883 173.392 176.117 0.263 0.000 1.390 262 I CA -2.600 58.859 61.300 0.264 0.000 0.958 262 I CB 1.890 40.051 38.000 0.268 0.000 1.618 262 I HN -0.257 nan 8.210 nan 0.000 0.595 263 P HA 0.103 nan 4.420 nan 0.000 0.272 263 P C 0.408 177.850 177.300 0.238 0.000 1.223 263 P CA -0.226 62.981 63.100 0.178 0.000 0.784 263 P CB 1.428 33.163 31.700 0.058 0.000 0.923 264 R N 1.563 122.181 120.500 0.198 0.000 2.115 264 R HA 0.042 4.422 4.340 0.066 0.000 0.226 264 R C 0.459 176.901 176.300 0.237 0.000 1.100 264 R CA 1.297 57.564 56.100 0.278 0.000 0.980 264 R CB -0.458 29.974 30.300 0.220 0.000 0.875 264 R HN 0.566 nan 8.270 nan 0.000 0.445 265 S N -2.730 112.900 115.700 -0.117 0.000 2.565 265 S HA 0.201 4.711 4.470 0.066 0.000 0.274 265 S C -0.387 173.888 174.600 -0.542 0.000 1.144 265 S CA -0.842 57.127 58.200 -0.384 0.000 0.849 265 S CB 0.016 63.126 63.200 -0.150 0.000 1.103 265 S HN 0.089 nan 8.310 nan 0.000 0.455 266 Y N 2.297 122.218 120.300 -0.631 0.000 2.403 266 Y HA 0.047 4.638 4.550 0.068 0.000 0.291 266 Y C 2.321 177.852 175.900 -0.616 0.000 1.143 266 Y CA 1.150 58.748 58.100 -0.837 0.000 1.257 266 Y CB -0.354 37.206 38.460 -1.500 0.000 0.984 266 Y HN 0.578 nan 8.280 nan 0.000 0.550 267 R N -0.543 119.811 120.500 -0.244 0.000 2.235 267 R HA -0.035 4.345 4.340 0.066 0.000 0.213 267 R C 1.116 177.364 176.300 -0.085 0.000 1.059 267 R CA 1.515 57.527 56.100 -0.147 0.000 0.997 267 R CB -0.499 29.713 30.300 -0.146 0.000 0.884 267 R HN 0.338 nan 8.270 nan 0.000 0.462 268 T N -1.938 112.583 114.554 -0.054 0.000 3.331 268 T HA 0.338 4.728 4.350 0.066 0.000 0.282 268 T C 0.228 174.961 174.700 0.056 0.000 1.010 268 T CA -0.698 61.401 62.100 -0.000 0.000 0.928 268 T CB -0.044 68.812 68.868 -0.019 0.000 1.154 268 T HN 0.105 nan 8.240 nan 0.000 0.516 269 M N -0.947 118.722 119.600 0.114 0.000 2.644 269 M HA 0.738 5.258 4.480 0.066 0.000 0.304 269 M C -1.132 175.339 176.300 0.285 0.000 1.215 269 M CA -0.874 54.539 55.300 0.188 0.000 0.871 269 M CB 2.133 34.841 32.600 0.180 0.000 1.740 269 M HN -0.156 nan 8.290 nan 0.000 0.464 270 E N 0.430 120.798 120.200 0.279 0.000 2.314 270 E HA 0.637 5.027 4.350 0.066 0.000 0.262 270 E C -0.296 176.390 176.600 0.144 0.000 1.093 270 E CA -0.584 55.921 56.400 0.174 0.000 0.908 270 E CB 1.692 31.407 29.700 0.026 0.000 1.091 270 E HN 0.860 nan 8.360 nan 0.000 0.425 271 G N 0.795 109.541 108.800 -0.089 0.000 2.481 271 G HA2 0.638 4.638 3.960 0.066 0.000 0.315 271 G HA3 0.638 4.638 3.960 0.066 0.000 0.315 271 G C -1.416 173.100 174.900 -0.640 0.000 1.231 271 G CA -0.444 44.575 45.100 -0.134 0.000 0.968 271 G HN 0.289 nan 8.290 nan 0.000 0.482 272 F N -0.706 119.195 119.950 -0.082 0.000 2.619 272 F HA 0.509 5.076 4.527 0.066 0.000 0.308 272 F C 1.027 176.740 175.800 -0.145 0.000 1.097 272 F CA -0.573 57.299 58.000 -0.212 0.000 0.953 272 F CB 2.571 41.395 39.000 -0.293 0.000 1.287 272 F HN 0.596 nan 8.300 nan 0.000 0.446 273 G N -0.545 108.319 108.800 0.107 0.000 2.985 273 G HA2 0.192 4.192 3.960 0.066 0.000 0.209 273 G HA3 0.192 4.192 3.960 0.066 0.000 0.209 273 G C 0.706 175.667 174.900 0.101 0.000 1.165 273 G CA 0.638 45.847 45.100 0.182 0.000 0.776 273 G HN 0.997 nan 8.290 nan 0.000 0.541 274 C N -1.248 118.006 119.300 -0.076 0.000 5.885 274 C HA -0.163 4.336 4.460 0.066 0.000 0.327 274 C C 0.789 175.493 174.990 -0.477 0.000 2.426 274 C CA 0.780 59.584 59.018 -0.357 0.000 2.190 274 C CB -1.969 25.441 27.740 -0.550 0.000 3.229 274 C HN 0.608 nan 8.230 nan 0.000 0.266 275 H N 0.099 119.199 119.070 0.051 0.000 2.670 275 H HA 0.473 5.070 4.556 0.068 0.000 0.361 275 H C -0.152 175.120 175.328 -0.093 0.000 1.169 275 H CA 0.077 56.062 56.048 -0.106 0.000 1.198 275 H CB 0.745 30.305 29.762 -0.337 0.000 1.700 275 H HN 0.299 nan 8.280 nan 0.000 0.542 276 T N 3.030 117.566 114.554 -0.030 0.000 2.769 276 T HA 0.184 4.574 4.350 0.066 0.000 0.293 276 T C 0.237 174.869 174.700 -0.112 0.000 0.931 276 T CA 0.192 62.257 62.100 -0.059 0.000 1.139 276 T CB -0.518 68.269 68.868 -0.135 0.000 0.881 276 T HN 0.199 nan 8.240 nan 0.000 0.532 277 F N 1.509 121.418 119.950 -0.067 0.000 2.450 277 F HA 0.647 5.213 4.527 0.064 0.000 0.361 277 F C 1.164 176.915 175.800 -0.083 0.000 1.092 277 F CA -1.313 56.667 58.000 -0.033 0.000 1.105 277 F CB 1.228 40.195 39.000 -0.056 0.000 1.458 277 F HN 0.196 nan 8.300 nan 0.000 0.496 278 R N 0.553 121.101 120.500 0.079 0.000 2.686 278 R HA 0.601 4.981 4.340 0.066 0.000 0.286 278 R C -1.589 174.592 176.300 -0.198 0.000 0.969 278 R CA -0.848 55.161 56.100 -0.152 0.000 0.898 278 R CB 1.907 32.040 30.300 -0.278 0.000 1.183 278 R HN 0.430 nan 8.270 nan 0.000 0.456 279 L N 3.735 124.794 121.223 -0.274 0.000 2.325 279 L HA 0.516 4.896 4.340 0.066 0.000 0.279 279 L C -0.397 176.314 176.870 -0.264 0.000 1.054 279 L CA -0.870 53.818 54.840 -0.253 0.000 0.804 279 L CB 1.141 43.055 42.059 -0.241 0.000 1.200 279 L HN 0.373 nan 8.230 nan 0.000 0.436 280 I N 2.713 123.154 120.570 -0.215 0.000 2.418 280 I HA 0.268 4.478 4.170 0.066 0.000 0.287 280 I C -0.229 175.806 176.117 -0.137 0.000 1.008 280 I CA -0.764 60.417 61.300 -0.199 0.000 1.104 280 I CB 1.300 39.193 38.000 -0.179 0.000 1.264 280 I HN 0.617 nan 8.210 nan 0.000 0.438 281 N N 4.890 123.522 118.700 -0.114 0.000 2.448 281 N HA 0.378 5.157 4.740 0.066 0.000 0.274 281 N C 0.882 176.356 175.510 -0.061 0.000 1.239 281 N CA -0.299 52.704 53.050 -0.079 0.000 0.982 281 N CB 0.621 39.070 38.487 -0.064 0.000 1.199 281 N HN 0.527 nan 8.380 nan 0.000 0.576 282 A N -0.556 122.236 122.820 -0.046 0.000 1.972 282 A HA -0.124 4.235 4.320 0.066 0.000 0.219 282 A C 1.481 179.047 177.584 -0.030 0.000 1.169 282 A CA 1.105 53.121 52.037 -0.036 0.000 0.635 282 A CB -0.623 18.362 19.000 -0.026 0.000 0.810 282 A HN 0.695 nan 8.150 nan 0.000 0.446 283 E N -1.006 119.178 120.200 -0.027 0.000 2.511 283 E HA 0.117 4.506 4.350 0.066 0.000 0.196 283 E C 1.322 177.914 176.600 -0.013 0.000 1.066 283 E CA 0.669 57.058 56.400 -0.019 0.000 0.871 283 E CB -0.416 29.274 29.700 -0.017 0.000 0.863 283 E HN 0.803 nan 8.360 nan 0.000 0.520 284 G N 2.004 110.793 108.800 -0.017 0.000 2.159 284 G HA2 -0.345 3.655 3.960 0.066 0.000 0.256 284 G HA3 -0.345 3.655 3.960 0.066 0.000 0.256 284 G C 0.402 175.323 174.900 0.035 0.000 0.977 284 G CA 0.541 45.648 45.100 0.013 0.000 0.652 284 G HN 0.300 nan 8.290 nan 0.000 0.531 285 K N 0.877 121.261 120.400 -0.027 0.000 2.368 285 K HA 0.602 4.962 4.320 0.066 0.000 0.282 285 K C 0.658 177.137 176.600 -0.201 0.000 1.035 285 K CA 0.235 56.481 56.287 -0.068 0.000 0.973 285 K CB 0.394 32.853 32.500 -0.068 0.000 0.957 285 K HN 0.550 nan 8.250 nan 0.000 0.474 286 A N 3.609 126.202 122.820 -0.378 0.000 2.301 286 A HA 0.369 4.729 4.320 0.066 0.000 0.298 286 A C -0.695 176.578 177.584 -0.520 0.000 1.185 286 A CA -0.430 51.214 52.037 -0.655 0.000 0.830 286 A CB 0.944 19.110 19.000 -1.390 0.000 1.112 286 A HN 0.715 nan 8.150 nan 0.000 0.508 287 T N 2.621 116.903 114.554 -0.452 0.000 2.824 287 T HA 0.533 4.923 4.350 0.066 0.000 0.282 287 T C -0.524 173.961 174.700 -0.359 0.000 0.993 287 T CA -0.096 61.800 62.100 -0.340 0.000 0.967 287 T CB 0.457 69.217 68.868 -0.180 0.000 0.960 287 T HN 0.347 nan 8.240 nan 0.000 0.441 288 F N 1.975 121.830 119.950 -0.157 0.000 2.459 288 F HA 0.515 5.081 4.527 0.065 0.000 0.346 288 F C 0.613 176.294 175.800 -0.199 0.000 1.128 288 F CA -0.322 57.578 58.000 -0.166 0.000 1.268 288 F CB 0.613 39.536 39.000 -0.128 0.000 1.161 288 F HN 0.200 nan 8.300 nan 0.000 0.583 289 V N 4.200 124.073 119.914 -0.069 0.000 2.888 289 V HA 0.612 4.772 4.120 0.066 0.000 0.309 289 V C -1.040 174.837 176.094 -0.362 0.000 1.114 289 V CA -0.763 61.350 62.300 -0.311 0.000 0.940 289 V CB 2.153 33.563 31.823 -0.688 0.000 1.021 289 V HN 0.778 nan 8.190 nan 0.000 0.426 290 R N 4.531 124.869 120.500 -0.270 0.000 2.599 290 R HA 0.571 4.951 4.340 0.066 0.000 0.295 290 R C -1.686 174.557 176.300 -0.095 0.000 0.963 290 R CA -0.486 55.489 56.100 -0.208 0.000 0.883 290 R CB 2.161 32.462 30.300 0.001 0.000 1.171 290 R HN 0.593 nan 8.270 nan 0.000 0.450 291 F N 2.069 122.072 119.950 0.088 0.000 2.385 291 F HA 0.380 4.946 4.527 0.065 0.000 0.336 291 F C 0.948 176.699 175.800 -0.082 0.000 1.100 291 F CA -0.106 57.917 58.000 0.038 0.000 1.116 291 F CB 0.871 39.784 39.000 -0.146 0.000 1.166 291 F HN 0.190 nan 8.300 nan 0.000 0.511 292 H N 0.894 119.974 119.070 0.017 0.000 2.768 292 H HA 0.269 4.865 4.556 0.067 0.000 0.371 292 H C -1.592 173.530 175.328 -0.342 0.000 1.151 292 H CA -1.008 54.946 56.048 -0.157 0.000 1.165 292 H CB 2.079 31.835 29.762 -0.011 0.000 1.722 292 H HN 0.682 nan 8.280 nan 0.000 0.543 293 W N 2.212 123.414 121.300 -0.165 0.000 2.683 293 W HA 0.305 5.004 4.660 0.065 0.000 0.329 293 W C -0.200 176.364 176.519 0.075 0.000 1.037 293 W CA -0.775 56.536 57.345 -0.057 0.000 1.232 293 W CB 1.807 31.077 29.460 -0.317 0.000 1.390 293 W HN 0.288 nan 8.180 nan 0.000 0.465 294 K N 5.774 126.458 120.400 0.473 0.000 2.240 294 K HA 0.376 4.736 4.320 0.066 0.000 0.271 294 K C -2.358 174.477 176.600 0.390 0.000 1.018 294 K CA -1.835 54.661 56.287 0.348 0.000 0.874 294 K CB 1.306 33.959 32.500 0.256 0.000 1.098 294 K HN 0.035 nan 8.250 nan 0.000 0.458 295 P HA 0.044 nan 4.420 nan 0.000 0.276 295 P C 0.353 177.664 177.300 0.019 0.000 1.253 295 P CA -0.074 63.099 63.100 0.122 0.000 0.766 295 P CB 0.752 32.532 31.700 0.135 0.000 0.845 296 L N 2.708 123.884 121.223 -0.077 0.000 2.362 296 L HA -0.070 4.310 4.340 0.066 0.000 0.219 296 L C 2.134 178.984 176.870 -0.034 0.000 1.134 296 L CA 1.130 55.957 54.840 -0.021 0.000 0.807 296 L CB -0.640 41.418 42.059 -0.002 0.000 0.927 296 L HN 0.343 nan 8.230 nan 0.000 0.447 297 A N 0.063 122.836 122.820 -0.079 0.000 2.251 297 A HA 0.435 4.795 4.320 0.066 0.000 0.209 297 A C 1.257 178.836 177.584 -0.007 0.000 1.187 297 A CA 0.593 52.600 52.037 -0.048 0.000 0.823 297 A CB -0.411 18.541 19.000 -0.079 0.000 0.846 297 A HN 0.447 nan 8.150 nan 0.000 0.486 298 G N -0.503 108.307 108.800 0.017 0.000 2.795 298 G HA2 -0.154 3.846 3.960 0.066 0.000 0.664 298 G HA3 -0.154 3.846 3.960 0.066 0.000 0.664 298 G C -0.597 174.335 174.900 0.052 0.000 1.381 298 G CA -0.431 44.700 45.100 0.051 0.000 0.853 298 G HN 0.449 nan 8.290 nan 0.000 0.545 299 K N 0.310 120.750 120.400 0.067 0.000 2.211 299 K HA 0.681 5.041 4.320 0.066 0.000 0.275 299 K C 0.201 176.811 176.600 0.017 0.000 1.024 299 K CA 0.278 56.592 56.287 0.046 0.000 0.887 299 K CB 1.599 34.116 32.500 0.028 0.000 1.084 299 K HN 1.381 nan 8.250 nan 0.000 0.463 300 A N 1.965 124.780 122.820 -0.008 0.000 2.540 300 A HA 0.586 4.946 4.320 0.066 0.000 0.297 300 A C -1.108 176.525 177.584 0.082 0.000 1.056 300 A CA -0.670 51.319 52.037 -0.080 0.000 0.700 300 A CB 1.693 20.389 19.000 -0.507 0.000 1.280 300 A HN 0.515 nan 8.150 nan 0.000 0.398 301 S N 0.732 116.638 115.700 0.343 0.000 2.632 301 S HA 0.737 5.247 4.470 0.066 0.000 0.289 301 S C -0.048 174.869 174.600 0.528 0.000 1.115 301 S CA -0.630 57.804 58.200 0.391 0.000 0.889 301 S CB 1.197 64.613 63.200 0.359 0.000 1.116 301 S HN 0.653 nan 8.310 nan 0.000 0.486 302 L N 1.445 122.874 121.223 0.342 0.000 2.470 302 L HA 0.457 4.837 4.340 0.066 0.000 0.243 302 L C 0.172 177.163 176.870 0.202 0.000 1.227 302 L CA -0.653 54.310 54.840 0.205 0.000 0.824 302 L CB 0.133 42.231 42.059 0.066 0.000 1.175 302 L HN 0.501 nan 8.230 nan 0.000 0.503 303 V N -2.826 117.101 119.914 0.023 0.000 2.850 303 V HA 0.174 4.334 4.120 0.066 0.000 0.315 303 V C 0.703 176.731 176.094 -0.109 0.000 1.064 303 V CA -0.780 61.499 62.300 -0.034 0.000 0.979 303 V CB 1.605 33.371 31.823 -0.096 0.000 1.039 303 V HN 0.956 nan 8.190 nan 0.000 0.452 304 W N 1.903 123.070 121.300 -0.222 0.000 2.335 304 W HA -0.212 4.487 4.660 0.066 0.000 0.311 304 W C 1.739 178.099 176.519 -0.265 0.000 1.213 304 W CA 2.496 59.706 57.345 -0.226 0.000 1.274 304 W CB -0.069 29.241 29.460 -0.250 0.000 1.148 304 W HN 1.001 nan 8.180 nan 0.000 0.498 305 D N 0.221 120.315 120.400 -0.510 0.000 2.144 305 D HA -0.272 4.408 4.640 0.066 0.000 0.199 305 D C 2.139 178.073 176.300 -0.610 0.000 0.984 305 D CA 1.977 55.644 54.000 -0.556 0.000 0.834 305 D CB -0.450 40.270 40.800 -0.134 0.000 0.955 305 D HN 0.356 nan 8.370 nan 0.000 0.465 306 E N -0.307 119.414 120.200 -0.800 0.000 2.047 306 E HA -0.198 4.191 4.350 0.066 0.000 0.191 306 E C 2.042 178.309 176.600 -0.555 0.000 0.987 306 E CA 1.014 56.915 56.400 -0.832 0.000 0.799 306 E CB -0.224 28.877 29.700 -0.998 0.000 0.752 306 E HN 0.308 nan 8.360 nan 0.000 0.449 307 A N 1.272 123.783 122.820 -0.514 0.000 1.883 307 A HA -0.282 4.078 4.320 0.066 0.000 0.217 307 A C 2.191 179.445 177.584 -0.551 0.000 1.186 307 A CA 1.938 53.719 52.037 -0.425 0.000 0.624 307 A CB -0.771 18.094 19.000 -0.225 0.000 0.822 307 A HN 0.457 nan 8.150 nan 0.000 0.444 308 Q N -0.617 118.637 119.800 -0.909 0.000 2.079 308 Q HA -0.181 4.199 4.340 0.066 0.000 0.200 308 Q C 2.181 177.900 176.000 -0.469 0.000 0.974 308 Q CA 1.778 57.069 55.803 -0.853 0.000 0.840 308 Q CB -0.148 27.776 28.738 -1.357 0.000 0.898 308 Q HN 0.667 nan 8.270 nan 0.000 0.430 309 K N 0.041 120.189 120.400 -0.421 0.000 2.148 309 K HA -0.146 4.214 4.320 0.066 0.000 0.204 309 K C 2.024 178.483 176.600 -0.234 0.000 1.050 309 K CA 0.689 56.823 56.287 -0.255 0.000 0.942 309 K CB -0.006 32.387 32.500 -0.177 0.000 0.724 309 K HN 0.182 nan 8.250 nan 0.000 0.446 310 L N 1.258 122.302 121.223 -0.299 0.000 2.217 310 L HA -0.103 4.277 4.340 0.066 0.000 0.211 310 L C 2.183 178.921 176.870 -0.219 0.000 1.107 310 L CA 2.064 56.726 54.840 -0.296 0.000 0.783 310 L CB -0.872 40.924 42.059 -0.438 0.000 0.919 310 L HN 0.290 nan 8.230 nan 0.000 0.442 311 T N -4.090 110.339 114.554 -0.209 0.000 2.849 311 T HA -0.082 4.307 4.350 0.066 0.000 0.270 311 T C 1.835 176.476 174.700 -0.099 0.000 1.066 311 T CA 1.071 63.091 62.100 -0.133 0.000 1.130 311 T CB -0.941 67.861 68.868 -0.110 0.000 0.864 311 T HN 0.379 nan 8.240 nan 0.000 0.481 312 G N 0.958 109.693 108.800 -0.109 0.000 2.441 312 G HA2 0.019 4.019 3.960 0.066 0.000 0.212 312 G HA3 0.019 4.019 3.960 0.066 0.000 0.212 312 G C 1.906 176.763 174.900 -0.071 0.000 1.164 312 G CA -0.283 44.770 45.100 -0.080 0.000 0.811 312 G HN 0.313 nan 8.290 nan 0.000 0.535 313 R N 0.246 120.692 120.500 -0.089 0.000 2.115 313 R HA 0.047 4.427 4.340 0.066 0.000 0.226 313 R C -0.196 176.076 176.300 -0.046 0.000 1.100 313 R CA 0.747 56.806 56.100 -0.068 0.000 0.980 313 R CB -0.146 30.103 30.300 -0.085 0.000 0.875 313 R HN 0.311 nan 8.270 nan 0.000 0.445 314 D N -0.461 119.907 120.400 -0.053 0.000 2.411 314 D HA 0.143 4.823 4.640 0.066 0.000 0.239 314 D C -2.137 174.166 176.300 0.006 0.000 1.307 314 D CA -1.779 52.223 54.000 0.005 0.000 0.930 314 D CB 1.431 42.281 40.800 0.083 0.000 1.395 314 D HN -0.142 nan 8.370 nan 0.000 0.536 315 P HA 0.028 nan 4.420 nan 0.000 0.234 315 P C 0.003 177.312 177.300 0.015 0.000 1.167 315 P CA 0.581 63.673 63.100 -0.014 0.000 0.763 315 P CB 0.520 32.209 31.700 -0.018 0.000 0.835 316 D N -1.479 118.942 120.400 0.035 0.000 2.463 316 D HA 0.086 4.766 4.640 0.066 0.000 0.224 316 D C 1.155 177.492 176.300 0.062 0.000 1.174 316 D CA -0.470 53.554 54.000 0.041 0.000 0.829 316 D CB -0.501 40.302 40.800 0.005 0.000 0.993 316 D HN 0.113 nan 8.370 nan 0.000 0.497 317 F N 1.144 121.038 119.950 -0.093 0.000 2.126 317 F HA -0.225 4.342 4.527 0.066 0.000 0.299 317 F C 2.039 177.813 175.800 -0.042 0.000 1.096 317 F CA 1.860 59.800 58.000 -0.099 0.000 1.255 317 F CB 0.130 39.013 39.000 -0.196 0.000 0.997 317 F HN 0.106 nan 8.300 nan 0.000 0.479 318 H N -1.323 117.638 119.070 -0.182 0.000 2.403 318 H HA -0.032 4.564 4.556 0.066 0.000 0.298 318 H C 2.357 177.579 175.328 -0.178 0.000 1.059 318 H CA 0.699 56.498 56.048 -0.416 0.000 1.363 318 H CB -0.080 29.266 29.762 -0.692 0.000 1.410 318 H HN 0.140 nan 8.280 nan 0.000 0.528 319 R N 1.271 121.868 120.500 0.161 0.000 2.103 319 R HA -0.166 4.214 4.340 0.066 0.000 0.242 319 R C 2.436 178.838 176.300 0.171 0.000 1.142 319 R CA 1.614 57.859 56.100 0.242 0.000 0.960 319 R CB -0.038 30.390 30.300 0.214 0.000 0.858 319 R HN 0.214 nan 8.270 nan 0.000 0.439 320 R N 0.171 120.690 120.500 0.031 0.000 2.062 320 R HA -0.112 4.268 4.340 0.066 0.000 0.229 320 R C 2.127 178.423 176.300 -0.005 0.000 1.128 320 R CA 1.495 57.600 56.100 0.009 0.000 0.960 320 R CB -0.219 30.051 30.300 -0.051 0.000 0.855 320 R HN 0.243 nan 8.270 nan 0.000 0.432 321 E N 0.730 120.809 120.200 -0.202 0.000 2.110 321 E HA -0.193 4.197 4.350 0.066 0.000 0.193 321 E C 1.992 178.557 176.600 -0.059 0.000 0.988 321 E CA 1.000 57.258 56.400 -0.238 0.000 0.804 321 E CB -0.017 29.366 29.700 -0.529 0.000 0.745 321 E HN 0.275 nan 8.360 nan 0.000 0.458 322 L N 0.680 121.914 121.223 0.018 0.000 2.027 322 L HA -0.133 4.247 4.340 0.066 0.000 0.206 322 L C 2.208 179.178 176.870 0.166 0.000 1.074 322 L CA 1.759 56.657 54.840 0.097 0.000 0.745 322 L CB -0.904 41.278 42.059 0.205 0.000 0.898 322 L HN 0.287 nan 8.230 nan 0.000 0.433 323 W N 0.994 122.326 121.300 0.053 0.000 2.358 323 W HA -0.203 4.496 4.660 0.065 0.000 0.303 323 W C 2.159 178.709 176.519 0.051 0.000 1.208 323 W CA 2.142 59.532 57.345 0.076 0.000 1.274 323 W CB -0.113 29.395 29.460 0.080 0.000 1.138 323 W HN 0.360 nan 8.180 nan 0.000 0.515 324 E N -0.113 120.258 120.200 0.285 0.000 2.208 324 E HA -0.104 4.286 4.350 0.066 0.000 0.193 324 E C 2.332 178.965 176.600 0.055 0.000 0.988 324 E CA 0.930 57.420 56.400 0.151 0.000 0.828 324 E CB -0.266 29.478 29.700 0.074 0.000 0.763 324 E HN 0.180 nan 8.360 nan 0.000 0.478 325 A N 1.169 124.021 122.820 0.053 0.000 1.898 325 A HA -0.140 4.220 4.320 0.066 0.000 0.216 325 A C 2.130 179.746 177.584 0.054 0.000 1.181 325 A CA 0.919 52.981 52.037 0.042 0.000 0.620 325 A CB -0.411 18.611 19.000 0.038 0.000 0.819 325 A HN 0.123 nan 8.150 nan 0.000 0.442 326 I N -0.488 120.131 120.570 0.081 0.000 2.286 326 I HA -0.201 4.009 4.170 0.066 0.000 0.245 326 I C 2.349 178.546 176.117 0.133 0.000 1.104 326 I CA 1.195 62.597 61.300 0.169 0.000 1.397 326 I CB -0.407 37.614 38.000 0.036 0.000 1.072 326 I HN 0.409 nan 8.210 nan 0.000 0.417 327 E N 0.942 121.168 120.200 0.042 0.000 2.204 327 E HA -0.187 4.203 4.350 0.066 0.000 0.195 327 E C 2.062 178.683 176.600 0.035 0.000 0.990 327 E CA 1.182 57.619 56.400 0.061 0.000 0.821 327 E CB -0.069 29.698 29.700 0.111 0.000 0.750 327 E HN 0.494 nan 8.360 nan 0.000 0.477 328 A N 0.091 122.907 122.820 -0.007 0.000 2.218 328 A HA 0.237 4.597 4.320 0.066 0.000 0.209 328 A C 1.784 179.297 177.584 -0.118 0.000 1.168 328 A CA 0.849 52.858 52.037 -0.046 0.000 0.804 328 A CB -0.125 18.836 19.000 -0.066 0.000 0.834 328 A HN 0.321 nan 8.150 nan 0.000 0.482 329 G N -0.252 108.390 108.800 -0.264 0.000 2.162 329 G HA2 -0.229 3.771 3.960 0.066 0.000 0.260 329 G HA3 -0.229 3.771 3.960 0.066 0.000 0.260 329 G C -0.129 174.260 174.900 -0.851 0.000 0.976 329 G CA 0.327 44.923 45.100 -0.840 0.000 0.655 329 G HN 0.469 nan 8.290 nan 0.000 0.533 330 D N 0.909 121.097 120.400 -0.354 0.000 2.934 330 D HA 0.252 4.932 4.640 0.066 0.000 0.237 330 D C 0.895 177.141 176.300 -0.089 0.000 1.158 330 D CA -0.192 53.697 54.000 -0.184 0.000 0.971 330 D CB -0.776 40.016 40.800 -0.014 0.000 1.123 330 D HN 0.457 nan 8.370 nan 0.000 0.467 331 F N 1.353 121.305 119.950 0.003 0.000 2.612 331 F HA 0.019 4.586 4.527 0.067 0.000 0.389 331 F C -1.340 174.428 175.800 -0.053 0.000 1.055 331 F CA -1.684 56.308 58.000 -0.014 0.000 1.232 331 F CB -0.137 38.865 39.000 0.003 0.000 1.044 331 F HN -0.085 nan 8.300 nan 0.000 0.560 332 P HA 0.036 nan 4.420 nan 0.000 0.266 332 P C -1.035 176.200 177.300 -0.108 0.000 1.215 332 P CA 0.333 63.410 63.100 -0.038 0.000 0.763 332 P CB 0.479 32.236 31.700 0.095 0.000 0.806 333 E N 2.516 122.518 120.200 -0.329 0.000 2.222 333 E HA 0.455 4.844 4.350 0.066 0.000 0.267 333 E C -0.996 175.286 176.600 -0.531 0.000 0.884 333 E CA -0.567 55.691 56.400 -0.237 0.000 0.764 333 E CB 1.389 31.049 29.700 -0.066 0.000 1.169 333 E HN 0.384 nan 8.360 nan 0.000 0.413 334 Y N 0.322 120.693 120.300 0.118 0.000 2.477 334 Y HA 0.241 4.832 4.550 0.068 0.000 0.347 334 Y C -0.196 175.948 175.900 0.406 0.000 0.981 334 Y CA -1.006 57.243 58.100 0.249 0.000 1.033 334 Y CB 1.953 40.517 38.460 0.173 0.000 1.245 334 Y HN 0.470 nan 8.280 nan 0.000 0.455 335 E N 2.703 123.248 120.200 0.575 0.000 2.174 335 E HA 0.387 4.777 4.350 0.066 0.000 0.282 335 E C -1.488 175.418 176.600 0.509 0.000 0.992 335 E CA -0.923 55.770 56.400 0.487 0.000 0.803 335 E CB 0.989 30.906 29.700 0.362 0.000 1.090 335 E HN 0.590 nan 8.360 nan 0.000 0.396 336 L N 4.417 125.850 121.223 0.350 0.000 2.367 336 L HA 0.514 4.894 4.340 0.066 0.000 0.275 336 L C -0.081 176.719 176.870 -0.116 0.000 1.129 336 L CA 0.577 55.309 54.840 -0.179 0.000 0.839 336 L CB 1.038 42.924 42.059 -0.287 0.000 1.133 336 L HN 0.587 nan 8.230 nan 0.000 0.453 337 G N 4.425 113.169 108.800 -0.094 0.000 2.612 337 G HA2 0.568 4.568 3.960 0.066 0.000 0.298 337 G HA3 0.568 4.568 3.960 0.066 0.000 0.298 337 G C -1.632 173.387 174.900 0.198 0.000 1.336 337 G CA -0.511 44.570 45.100 -0.031 0.000 0.953 337 G HN 0.461 nan 8.290 nan 0.000 0.482 338 F N 0.237 120.207 119.950 0.032 0.000 2.507 338 F HA 0.372 4.939 4.527 0.067 0.000 0.325 338 F C 0.392 176.186 175.800 -0.010 0.000 1.116 338 F CA -0.993 57.029 58.000 0.037 0.000 0.930 338 F CB 2.588 41.595 39.000 0.012 0.000 1.146 338 F HN 0.149 nan 8.300 nan 0.000 0.447 339 Q N 4.304 124.219 119.800 0.192 0.000 2.294 339 Q HA 0.435 4.815 4.340 0.066 0.000 0.257 339 Q C -1.022 175.023 176.000 0.074 0.000 0.955 339 Q CA -0.333 55.529 55.803 0.100 0.000 0.936 339 Q CB 1.733 30.537 28.738 0.109 0.000 1.188 339 Q HN 0.521 nan 8.270 nan 0.000 0.420 340 L N 4.631 125.905 121.223 0.084 0.000 2.313 340 L HA 0.565 4.945 4.340 0.066 0.000 0.283 340 L C -0.494 176.429 176.870 0.089 0.000 1.013 340 L CA -0.526 54.352 54.840 0.064 0.000 0.816 340 L CB 1.141 43.246 42.059 0.077 0.000 1.236 340 L HN 0.498 nan 8.230 nan 0.000 0.419 341 I N 4.440 125.077 120.570 0.113 0.000 2.418 341 I HA 0.376 4.586 4.170 0.066 0.000 0.287 341 I C -2.261 173.971 176.117 0.192 0.000 1.008 341 I CA -2.109 59.300 61.300 0.182 0.000 1.104 341 I CB 2.193 40.318 38.000 0.207 0.000 1.264 341 I HN 0.281 nan 8.210 nan 0.000 0.438 342 P HA 0.043 nan 4.420 nan 0.000 0.270 342 P C 0.600 177.980 177.300 0.132 0.000 1.223 342 P CA -0.129 63.017 63.100 0.076 0.000 0.785 342 P CB 0.897 32.632 31.700 0.059 0.000 0.923 343 E N 1.511 121.712 120.200 0.003 0.000 2.110 343 E HA -0.232 4.158 4.350 0.066 0.000 0.193 343 E C 1.388 178.097 176.600 0.182 0.000 0.988 343 E CA 1.038 57.446 56.400 0.013 0.000 0.804 343 E CB -0.009 29.619 29.700 -0.120 0.000 0.745 343 E HN 0.475 nan 8.360 nan 0.000 0.458 344 E N 0.107 120.380 120.200 0.121 0.000 2.478 344 E HA -0.157 4.233 4.350 0.066 0.000 0.198 344 E C 0.338 177.018 176.600 0.133 0.000 1.046 344 E CA 0.733 57.209 56.400 0.127 0.000 0.870 344 E CB 0.093 29.841 29.700 0.080 0.000 0.818 344 E HN 0.229 nan 8.360 nan 0.000 0.527 345 D N 1.302 121.786 120.400 0.141 0.000 2.368 345 D HA -0.002 4.678 4.640 0.066 0.000 0.218 345 D C 1.336 177.699 176.300 0.106 0.000 1.112 345 D CA 0.018 54.081 54.000 0.105 0.000 0.834 345 D CB 0.202 41.071 40.800 0.115 0.000 0.953 345 D HN 0.403 nan 8.370 nan 0.000 0.505 346 E N -0.224 120.014 120.200 0.063 0.000 2.130 346 E HA -0.200 4.190 4.350 0.066 0.000 0.196 346 E C 0.510 176.833 176.600 -0.462 0.000 0.998 346 E CA 1.112 57.338 56.400 -0.289 0.000 0.806 346 E CB 0.025 29.459 29.700 -0.444 0.000 0.738 346 E HN 0.269 nan 8.360 nan 0.000 0.459 347 F N -0.478 119.483 119.950 0.018 0.000 2.639 347 F HA 0.274 4.841 4.527 0.066 0.000 0.302 347 F C 1.395 177.142 175.800 -0.088 0.000 1.097 347 F CA -0.290 57.696 58.000 -0.023 0.000 1.294 347 F CB 0.629 39.621 39.000 -0.013 0.000 1.027 347 F HN -0.180 nan 8.300 nan 0.000 0.550 348 K N 0.048 120.411 120.400 -0.062 0.000 2.487 348 K HA 0.106 4.466 4.320 0.066 0.000 0.192 348 K C -0.241 175.969 176.600 -0.650 0.000 1.027 348 K CA 0.390 56.471 56.287 -0.344 0.000 1.054 348 K CB 0.163 32.403 32.500 -0.433 0.000 0.824 348 K HN 0.128 nan 8.250 nan 0.000 0.510 349 F N 0.691 120.479 119.950 -0.270 0.000 2.509 349 F HA 0.085 4.653 4.527 0.067 0.000 0.334 349 F C 1.207 176.783 175.800 -0.373 0.000 1.060 349 F CA -1.312 56.420 58.000 -0.447 0.000 0.997 349 F CB 0.659 39.030 39.000 -1.048 0.000 1.271 349 F HN -0.037 nan 8.300 nan 0.000 0.488 350 D N -0.523 119.842 120.400 -0.058 0.000 2.319 350 D HA 0.052 4.732 4.640 0.066 0.000 0.230 350 D C -0.414 175.963 176.300 0.128 0.000 1.094 350 D CA 0.133 54.167 54.000 0.056 0.000 0.856 350 D CB -0.855 40.014 40.800 0.115 0.000 0.915 350 D HN 0.232 nan 8.370 nan 0.000 0.517 351 F N -1.655 118.378 119.950 0.139 0.000 2.611 351 F HA 0.532 5.099 4.527 0.066 0.000 0.324 351 F C -0.178 175.612 175.800 -0.016 0.000 1.061 351 F CA -1.761 56.244 58.000 0.008 0.000 0.954 351 F CB 0.823 39.780 39.000 -0.071 0.000 1.301 351 F HN -0.335 nan 8.300 nan 0.000 0.482 352 D N 1.694 122.104 120.400 0.018 0.000 2.312 352 D HA 0.175 4.855 4.640 0.066 0.000 0.252 352 D C 1.054 177.291 176.300 -0.106 0.000 1.150 352 D CA -0.021 53.938 54.000 -0.069 0.000 0.870 352 D CB 1.457 42.251 40.800 -0.011 0.000 1.153 352 D HN 0.737 nan 8.370 nan 0.000 0.457 353 L N 3.509 124.599 121.223 -0.221 0.000 2.261 353 L HA -0.154 4.226 4.340 0.066 0.000 0.216 353 L C 1.911 178.642 176.870 -0.231 0.000 1.114 353 L CA 0.789 55.477 54.840 -0.253 0.000 0.777 353 L CB -0.037 41.721 42.059 -0.501 0.000 0.910 353 L HN 0.485 nan 8.230 nan 0.000 0.440 354 L N -1.170 119.941 121.223 -0.187 0.000 2.592 354 L HA 0.068 4.447 4.340 0.066 0.000 0.227 354 L C 0.439 177.241 176.870 -0.114 0.000 1.127 354 L CA -0.155 54.645 54.840 -0.067 0.000 0.884 354 L CB -0.221 41.906 42.059 0.112 0.000 1.065 354 L HN 0.075 nan 8.230 nan 0.000 0.457 355 D N 2.042 122.127 120.400 -0.526 0.000 2.339 355 D HA 0.119 4.799 4.640 0.066 0.000 0.241 355 D C -1.670 174.394 176.300 -0.393 0.000 1.183 355 D CA -2.165 51.249 54.000 -0.976 0.000 0.859 355 D CB 1.607 41.647 40.800 -1.267 0.000 1.067 355 D HN -0.054 nan 8.370 nan 0.000 0.484 356 P HA 0.005 nan 4.420 nan 0.000 0.249 356 P C 0.840 178.053 177.300 -0.145 0.000 1.229 356 P CA 0.396 63.433 63.100 -0.105 0.000 0.788 356 P CB -0.061 31.676 31.700 0.062 0.000 1.072 357 T N -4.306 110.148 114.554 -0.168 0.000 3.129 357 T HA 0.142 4.531 4.350 0.066 0.000 0.251 357 T C 0.752 175.363 174.700 -0.148 0.000 1.117 357 T CA 0.041 62.051 62.100 -0.149 0.000 1.034 357 T CB -0.219 68.606 68.868 -0.072 0.000 0.968 357 T HN -0.156 nan 8.240 nan 0.000 0.526 358 K N 2.092 122.315 120.400 -0.294 0.000 2.244 358 K HA 0.570 4.930 4.320 0.066 0.000 0.260 358 K C -0.355 176.063 176.600 -0.304 0.000 0.951 358 K CA -0.875 55.116 56.287 -0.492 0.000 0.826 358 K CB 2.092 34.189 32.500 -0.671 0.000 1.108 358 K HN 0.303 nan 8.250 nan 0.000 0.433 359 L N -0.166 121.015 121.223 -0.071 0.000 2.358 359 L HA 0.663 5.043 4.340 0.066 0.000 0.268 359 L C -0.030 176.674 176.870 -0.277 0.000 1.032 359 L CA -0.525 54.238 54.840 -0.129 0.000 0.805 359 L CB 0.373 42.440 42.059 0.013 0.000 1.253 359 L HN 0.435 nan 8.230 nan 0.000 0.452 360 I N 1.474 121.967 120.570 -0.129 0.000 2.307 360 I HA 0.379 4.589 4.170 0.066 0.000 0.289 360 I C -2.146 173.994 176.117 0.037 0.000 1.021 360 I CA -1.704 59.563 61.300 -0.054 0.000 1.224 360 I CB 1.291 39.280 38.000 -0.017 0.000 1.376 360 I HN 0.443 nan 8.210 nan 0.000 0.470 361 P HA 0.069 nan 4.420 nan 0.000 0.267 361 P C 0.293 177.664 177.300 0.118 0.000 1.205 361 P CA -0.024 63.127 63.100 0.086 0.000 0.765 361 P CB 0.611 32.352 31.700 0.068 0.000 0.828 362 E N 1.864 122.141 120.200 0.129 0.000 2.209 362 E HA -0.214 4.176 4.350 0.066 0.000 0.196 362 E C 1.378 178.033 176.600 0.093 0.000 0.993 362 E CA 0.849 57.312 56.400 0.105 0.000 0.819 362 E CB -0.052 29.710 29.700 0.104 0.000 0.745 362 E HN 0.516 nan 8.360 nan 0.000 0.477 363 E N 0.407 120.661 120.200 0.092 0.000 2.209 363 E HA -0.164 4.226 4.350 0.066 0.000 0.196 363 E C 2.039 178.703 176.600 0.107 0.000 0.993 363 E CA 0.822 57.272 56.400 0.084 0.000 0.819 363 E CB 0.036 29.777 29.700 0.070 0.000 0.745 363 E HN 0.386 nan 8.360 nan 0.000 0.477 364 L N -0.475 120.837 121.223 0.147 0.000 2.221 364 L HA 0.056 4.436 4.340 0.066 0.000 0.202 364 L C 0.621 177.616 176.870 0.209 0.000 1.074 364 L CA 0.414 55.381 54.840 0.211 0.000 0.795 364 L CB 0.492 42.754 42.059 0.337 0.000 0.960 364 L HN -0.201 nan 8.230 nan 0.000 0.458 365 V N 1.659 121.673 119.914 0.168 0.000 2.445 365 V HA 0.299 4.459 4.120 0.066 0.000 0.283 365 V C -2.378 173.766 176.094 0.084 0.000 1.014 365 V CA -1.386 60.996 62.300 0.137 0.000 0.852 365 V CB 1.540 33.439 31.823 0.126 0.000 1.021 365 V HN -0.019 nan 8.190 nan 0.000 0.435 366 P HA 0.177 nan 4.420 nan 0.000 0.271 366 P C -0.236 177.065 177.300 0.001 0.000 1.218 366 P CA 0.013 63.135 63.100 0.037 0.000 0.780 366 P CB 1.326 33.051 31.700 0.042 0.000 0.901 367 V N 3.507 123.386 119.914 -0.059 0.000 2.470 367 V HA 0.045 4.205 4.120 0.066 0.000 0.276 367 V C 0.977 177.059 176.094 -0.019 0.000 1.040 367 V CA 0.171 62.403 62.300 -0.115 0.000 1.008 367 V CB -0.018 31.653 31.823 -0.252 0.000 0.990 367 V HN 0.568 nan 8.190 nan 0.000 0.477 368 Q N 6.075 125.886 119.800 0.018 0.000 2.279 368 Q HA 0.318 4.698 4.340 0.066 0.000 0.256 368 Q C 0.397 176.394 176.000 -0.005 0.000 0.937 368 Q CA -0.805 55.013 55.803 0.024 0.000 0.933 368 Q CB 0.746 29.512 28.738 0.047 0.000 1.189 368 Q HN 0.831 nan 8.270 nan 0.000 0.417 369 R N 1.965 122.488 120.500 0.038 0.000 2.537 369 R HA 0.099 4.479 4.340 0.066 0.000 0.280 369 R C -0.485 175.854 176.300 0.066 0.000 1.058 369 R CA -0.315 55.849 56.100 0.107 0.000 1.057 369 R CB 0.647 31.073 30.300 0.211 0.000 0.973 369 R HN 0.474 nan 8.270 nan 0.000 0.438 370 V N 1.586 121.456 119.914 -0.073 0.000 3.137 370 V HA 0.351 4.511 4.120 0.066 0.000 0.236 370 V C 0.775 176.614 176.094 -0.425 0.000 1.260 370 V CA 0.986 63.115 62.300 -0.285 0.000 1.244 370 V CB 0.865 32.262 31.823 -0.709 0.000 1.016 370 V HN 1.079 nan 8.190 nan 0.000 0.477 371 G N -0.211 108.223 108.800 -0.611 0.000 2.430 371 G HA2 0.475 4.474 3.960 0.066 0.000 0.300 371 G HA3 0.475 4.474 3.960 0.066 0.000 0.300 371 G C -1.873 172.652 174.900 -0.625 0.000 1.330 371 G CA -0.508 43.876 45.100 -1.194 0.000 0.813 371 G HN 0.072 nan 8.290 nan 0.000 0.487 372 K N -0.472 119.604 120.400 -0.540 0.000 2.371 372 K HA 0.744 5.104 4.320 0.066 0.000 0.251 372 K C -0.853 175.804 176.600 0.096 0.000 0.934 372 K CA -0.795 55.481 56.287 -0.017 0.000 0.798 372 K CB 2.034 34.574 32.500 0.067 0.000 1.204 372 K HN 0.615 nan 8.250 nan 0.000 0.427 373 M N 4.559 124.345 119.600 0.309 0.000 2.311 373 M HA 0.424 4.944 4.480 0.066 0.000 0.325 373 M C -1.798 174.498 176.300 -0.007 0.000 1.061 373 M CA -0.764 54.659 55.300 0.205 0.000 0.957 373 M CB 1.787 34.553 32.600 0.277 0.000 1.646 373 M HN 0.364 nan 8.290 nan 0.000 0.434 374 V N 6.197 125.932 119.914 -0.297 0.000 2.531 374 V HA 0.439 4.599 4.120 0.066 0.000 0.301 374 V C -0.608 175.329 176.094 -0.262 0.000 1.034 374 V CA -0.700 61.426 62.300 -0.290 0.000 0.865 374 V CB 1.894 33.424 31.823 -0.488 0.000 0.995 374 V HN 0.811 nan 8.190 nan 0.000 0.424 375 L N 5.653 126.818 121.223 -0.098 0.000 2.259 375 L HA 0.475 4.855 4.340 0.066 0.000 0.288 375 L C 0.493 177.252 176.870 -0.186 0.000 1.051 375 L CA -0.294 54.490 54.840 -0.093 0.000 0.824 375 L CB 0.820 42.876 42.059 -0.004 0.000 1.206 375 L HN 0.862 nan 8.230 nan 0.000 0.429 376 N N 2.534 121.034 118.700 -0.333 0.000 2.197 376 N HA 0.143 4.923 4.740 0.066 0.000 0.228 376 N C 0.002 175.304 175.510 -0.347 0.000 1.212 376 N CA -0.372 52.226 53.050 -0.754 0.000 0.883 376 N CB 0.769 38.523 38.487 -1.223 0.000 1.107 376 N HN 0.460 nan 8.380 nan 0.000 0.519 377 R N -0.048 120.368 120.500 -0.141 0.000 2.604 377 R HA 0.343 4.723 4.340 0.066 0.000 0.270 377 R C -1.290 174.958 176.300 -0.088 0.000 1.052 377 R CA -0.603 55.440 56.100 -0.096 0.000 0.902 377 R CB 1.378 31.632 30.300 -0.076 0.000 1.233 377 R HN 0.042 nan 8.270 nan 0.000 0.455 378 N N 2.703 121.240 118.700 -0.271 0.000 2.463 378 N HA 0.345 5.125 4.740 0.066 0.000 0.270 378 N C -2.304 173.134 175.510 -0.120 0.000 1.205 378 N CA -1.327 51.420 53.050 -0.504 0.000 0.974 378 N CB 0.746 38.282 38.487 -1.586 0.000 1.197 378 N HN 0.338 nan 8.380 nan 0.000 0.504 379 P HA 0.092 nan 4.420 nan 0.000 0.274 379 P C 0.033 177.511 177.300 0.297 0.000 1.260 379 P CA -0.054 63.228 63.100 0.303 0.000 0.793 379 P CB 1.110 33.038 31.700 0.380 0.000 1.048 380 D N -1.015 119.535 120.400 0.251 0.000 2.149 380 D HA -0.027 4.653 4.640 0.066 0.000 0.206 380 D C 0.536 177.013 176.300 0.295 0.000 0.967 380 D CA 1.380 55.528 54.000 0.247 0.000 0.848 380 D CB 0.166 41.051 40.800 0.140 0.000 0.998 380 D HN 0.407 nan 8.370 nan 0.000 0.474 381 N N -0.324 118.540 118.700 0.275 0.000 2.410 381 N HA 0.010 4.790 4.740 0.066 0.000 0.287 381 N C -0.076 175.643 175.510 0.349 0.000 1.044 381 N CA -0.342 52.884 53.050 0.293 0.000 0.881 381 N CB 1.644 40.270 38.487 0.231 0.000 1.405 381 N HN -0.158 nan 8.380 nan 0.000 0.490 382 F N 4.446 124.549 119.950 0.256 0.000 2.134 382 F HA -0.111 4.456 4.527 0.067 0.000 0.299 382 F C 1.652 177.587 175.800 0.225 0.000 1.097 382 F CA 1.292 59.447 58.000 0.258 0.000 1.264 382 F CB -0.088 39.040 39.000 0.213 0.000 1.001 382 F HN 0.599 nan 8.300 nan 0.000 0.479 383 F N 0.959 121.160 119.950 0.417 0.000 2.069 383 F HA -0.157 4.410 4.527 0.066 0.000 0.298 383 F C 2.343 178.204 175.800 0.102 0.000 1.113 383 F CA 1.907 60.065 58.000 0.264 0.000 1.214 383 F CB -1.015 38.112 39.000 0.212 0.000 0.978 383 F HN -0.009 nan 8.300 nan 0.000 0.474 384 A N -0.278 122.679 122.820 0.228 0.000 1.902 384 A HA -0.183 4.177 4.320 0.066 0.000 0.217 384 A C 2.096 179.608 177.584 -0.120 0.000 1.181 384 A CA 2.074 54.151 52.037 0.066 0.000 0.623 384 A CB -0.743 18.346 19.000 0.149 0.000 0.818 384 A HN 0.609 nan 8.150 nan 0.000 0.443 385 E N -1.392 118.756 120.200 -0.088 0.000 2.162 385 E HA -0.062 4.328 4.350 0.066 0.000 0.193 385 E C 1.964 178.470 176.600 -0.157 0.000 0.953 385 E CA 0.480 56.764 56.400 -0.194 0.000 0.849 385 E CB -0.105 29.527 29.700 -0.112 0.000 0.810 385 E HN 0.578 nan 8.360 nan 0.000 0.470 386 N N 1.364 119.964 118.700 -0.167 0.000 2.176 386 N HA -0.156 4.624 4.740 0.066 0.000 0.187 386 N C 1.838 177.179 175.510 -0.282 0.000 1.043 386 N CA 1.328 54.226 53.050 -0.254 0.000 0.851 386 N CB 0.041 37.968 38.487 -0.933 0.000 1.018 386 N HN -0.069 nan 8.380 nan 0.000 0.436 387 E N 0.834 120.799 120.200 -0.391 0.000 2.118 387 E HA -0.119 4.271 4.350 0.066 0.000 0.195 387 E C 1.644 178.051 176.600 -0.322 0.000 0.992 387 E CA 1.510 57.752 56.400 -0.263 0.000 0.804 387 E CB -0.158 29.413 29.700 -0.215 0.000 0.741 387 E HN 0.491 nan 8.360 nan 0.000 0.458 388 Q N -0.365 119.174 119.800 -0.435 0.000 2.403 388 Q HA 0.236 4.616 4.340 0.066 0.000 0.203 388 Q C -0.021 175.856 176.000 -0.206 0.000 0.932 388 Q CA 0.215 55.813 55.803 -0.340 0.000 0.945 388 Q CB 0.469 28.980 28.738 -0.379 0.000 1.045 388 Q HN 0.232 nan 8.270 nan 0.000 0.511 389 A N 1.089 123.814 122.820 -0.157 0.000 2.462 389 A HA 0.487 4.847 4.320 0.066 0.000 0.243 389 A C -0.191 177.287 177.584 -0.177 0.000 1.076 389 A CA 0.091 52.018 52.037 -0.184 0.000 0.773 389 A CB 0.315 19.278 19.000 -0.063 0.000 1.010 389 A HN 0.261 nan 8.150 nan 0.000 0.493 390 A N 2.213 124.871 122.820 -0.270 0.000 2.311 390 A HA 0.711 5.070 4.320 0.066 0.000 0.306 390 A C -0.791 176.667 177.584 -0.211 0.000 1.189 390 A CA -0.403 51.538 52.037 -0.159 0.000 0.791 390 A CB 0.281 19.184 19.000 -0.162 0.000 1.172 390 A HN 0.647 nan 8.150 nan 0.000 0.481 391 F N 0.835 120.788 119.950 0.004 0.000 2.492 391 F HA 0.676 5.243 4.527 0.066 0.000 0.327 391 F C 0.285 176.058 175.800 -0.044 0.000 1.079 391 F CA -0.181 57.797 58.000 -0.036 0.000 0.967 391 F CB 2.111 41.032 39.000 -0.131 0.000 1.169 391 F HN 0.760 nan 8.300 nan 0.000 0.472 392 H N 2.895 121.825 119.070 -0.234 0.000 3.099 392 H HA 0.257 4.858 4.556 0.075 0.000 0.342 392 H C -2.507 172.439 175.328 -0.637 0.000 1.054 392 H CA -1.576 54.100 56.048 -0.620 0.000 1.328 392 H CB 2.701 32.061 29.762 -0.671 0.000 1.876 392 H HN 0.194 nan 8.280 nan 0.000 0.495 393 P HA 0.024 nan 4.420 nan 0.000 0.233 393 P C 1.104 178.288 177.300 -0.194 0.000 1.167 393 P CA 1.170 63.953 63.100 -0.529 0.000 0.770 393 P CB 0.167 31.614 31.700 -0.422 0.000 0.837 394 G N -0.973 107.529 108.800 -0.498 0.000 2.679 394 G HA2 -0.142 3.857 3.960 0.066 0.000 0.212 394 G HA3 -0.142 3.857 3.960 0.066 0.000 0.212 394 G C 0.413 175.548 174.900 0.393 0.000 1.137 394 G CA -0.015 45.188 45.100 0.171 0.000 0.787 394 G HN 0.438 nan 8.290 nan 0.000 0.534 395 H N 0.700 119.898 119.070 0.213 0.000 3.092 395 H HA 0.349 4.941 4.556 0.061 0.000 0.263 395 H C 0.578 176.008 175.328 0.170 0.000 1.611 395 H CA -0.792 55.341 56.048 0.142 0.000 1.457 395 H CB 0.010 29.818 29.762 0.077 0.000 1.731 395 H HN 0.373 nan 8.280 nan 0.000 0.532 396 I N -0.323 120.371 120.570 0.206 0.000 3.217 396 I HA 0.702 4.912 4.170 0.066 0.000 0.308 396 I C -0.165 175.917 176.117 -0.059 0.000 1.091 396 I CA -1.373 59.964 61.300 0.061 0.000 1.013 396 I CB 1.827 39.745 38.000 -0.136 0.000 1.250 396 I HN 0.123 nan 8.210 nan 0.000 0.496 397 V N -2.698 117.161 119.914 -0.091 0.000 3.160 397 V HA 0.673 4.833 4.120 0.066 0.000 0.310 397 V C -2.890 173.293 176.094 0.148 0.000 1.181 397 V CA -2.448 59.865 62.300 0.021 0.000 1.047 397 V CB 1.047 32.868 31.823 -0.004 0.000 1.068 397 V HN 0.603 nan 8.190 nan 0.000 0.441 398 P HA 0.430 nan 4.420 nan 0.000 0.268 398 P C 0.874 178.182 177.300 0.013 0.000 1.204 398 P CA 1.959 65.150 63.100 0.152 0.000 0.768 398 P CB 0.910 32.669 31.700 0.098 0.000 0.842 399 G N 1.648 110.412 108.800 -0.061 0.000 2.238 399 G HA2 -0.157 3.843 3.960 0.066 0.000 0.217 399 G HA3 -0.157 3.843 3.960 0.066 0.000 0.217 399 G C -0.248 174.568 174.900 -0.139 0.000 0.996 399 G CA -0.416 44.623 45.100 -0.102 0.000 0.632 399 G HN 0.436 nan 8.290 nan 0.000 0.503 400 L N 0.123 121.276 121.223 -0.118 0.000 2.323 400 L HA 0.916 5.296 4.340 0.066 0.000 0.265 400 L C -0.462 176.346 176.870 -0.104 0.000 1.012 400 L CA -1.043 53.700 54.840 -0.162 0.000 0.820 400 L CB 2.071 43.950 42.059 -0.299 0.000 1.334 400 L HN 0.119 nan 8.230 nan 0.000 0.427 401 D N -0.657 119.663 120.400 -0.133 0.000 2.692 401 D HA 0.455 5.135 4.640 0.066 0.000 0.303 401 D C -1.198 175.002 176.300 -0.166 0.000 1.278 401 D CA -0.370 53.502 54.000 -0.215 0.000 0.852 401 D CB 1.805 42.560 40.800 -0.076 0.000 1.375 401 D HN 0.120 nan 8.370 nan 0.000 0.453 402 F N -0.208 119.865 119.950 0.205 0.000 2.321 402 F HA 0.526 5.094 4.527 0.068 0.000 0.318 402 F C 1.496 177.309 175.800 0.021 0.000 1.129 402 F CA -0.195 57.850 58.000 0.075 0.000 1.074 402 F CB 1.061 40.081 39.000 0.034 0.000 1.432 402 F HN 0.237 nan 8.300 nan 0.000 0.502 403 T N -3.291 111.358 114.554 0.157 0.000 2.716 403 T HA 0.312 4.702 4.350 0.066 0.000 0.286 403 T C -0.171 174.566 174.700 0.061 0.000 1.052 403 T CA -0.981 61.196 62.100 0.129 0.000 1.024 403 T CB 1.172 70.099 68.868 0.098 0.000 1.349 403 T HN 0.343 nan 8.240 nan 0.000 0.525 404 N N 1.241 119.980 118.700 0.066 0.000 2.370 404 N HA 0.083 4.862 4.740 0.066 0.000 0.198 404 N C -0.058 175.460 175.510 0.012 0.000 1.156 404 N CA -0.005 53.065 53.050 0.034 0.000 0.839 404 N CB -0.350 38.173 38.487 0.061 0.000 0.989 404 N HN 0.679 nan 8.380 nan 0.000 0.468 405 D N 2.214 122.602 120.400 -0.019 0.000 2.581 405 D HA -0.075 4.605 4.640 0.066 0.000 0.238 405 D C -1.462 174.825 176.300 -0.022 0.000 1.145 405 D CA -0.809 53.196 54.000 0.007 0.000 0.866 405 D CB 1.343 42.083 40.800 -0.100 0.000 1.151 405 D HN 0.147 nan 8.370 nan 0.000 0.500 406 P HA -0.054 nan 4.420 nan 0.000 0.236 406 P C 1.465 178.778 177.300 0.023 0.000 1.177 406 P CA -0.018 63.098 63.100 0.026 0.000 0.773 406 P CB 0.509 32.226 31.700 0.029 0.000 0.878 407 L N -0.085 121.164 121.223 0.042 0.000 2.071 407 L HA 0.004 4.384 4.340 0.066 0.000 0.201 407 L C 2.378 179.148 176.870 -0.166 0.000 1.076 407 L CA 1.270 56.124 54.840 0.024 0.000 0.755 407 L CB -1.599 40.564 42.059 0.173 0.000 0.915 407 L HN -0.176 nan 8.230 nan 0.000 0.445 408 L N -0.377 120.557 121.223 -0.483 0.000 2.013 408 L HA -0.272 4.108 4.340 0.066 0.000 0.212 408 L C 2.502 179.116 176.870 -0.427 0.000 1.073 408 L CA 1.873 56.239 54.840 -0.790 0.000 0.753 408 L CB -0.943 40.437 42.059 -1.132 0.000 0.890 408 L HN 0.403 nan 8.230 nan 0.000 0.432 409 Q N -0.264 119.358 119.800 -0.297 0.000 2.077 409 Q HA -0.193 4.187 4.340 0.066 0.000 0.206 409 Q C 2.108 178.026 176.000 -0.137 0.000 0.989 409 Q CA 1.947 57.622 55.803 -0.213 0.000 0.853 409 Q CB -0.917 27.748 28.738 -0.121 0.000 0.907 409 Q HN 0.715 nan 8.270 nan 0.000 0.418 410 G N 0.366 109.117 108.800 -0.081 0.000 2.448 410 G HA2 -0.202 3.798 3.960 0.066 0.000 0.218 410 G HA3 -0.202 3.798 3.960 0.066 0.000 0.218 410 G C 1.502 176.416 174.900 0.024 0.000 1.135 410 G CA 0.151 45.251 45.100 0.001 0.000 0.784 410 G HN 0.248 nan 8.290 nan 0.000 0.543 411 R N -0.143 120.316 120.500 -0.068 0.000 2.105 411 R HA 0.040 4.419 4.340 0.066 0.000 0.239 411 R C 2.441 178.814 176.300 0.122 0.000 1.135 411 R CA 0.787 56.904 56.100 0.029 0.000 0.967 411 R CB -0.422 29.853 30.300 -0.042 0.000 0.861 411 R HN 0.347 nan 8.270 nan 0.000 0.442 412 L N -0.383 120.810 121.223 -0.051 0.000 2.191 412 L HA -0.184 4.196 4.340 0.066 0.000 0.212 412 L C 2.240 179.246 176.870 0.227 0.000 1.103 412 L CA 0.985 55.824 54.840 -0.001 0.000 0.769 412 L CB -0.440 41.465 42.059 -0.257 0.000 0.908 412 L HN 0.151 nan 8.230 nan 0.000 0.438 413 F N 0.138 120.122 119.950 0.056 0.000 2.163 413 F HA -0.194 4.355 4.527 0.036 0.000 0.297 413 F C 2.759 178.598 175.800 0.065 0.000 1.094 413 F CA 1.606 59.635 58.000 0.048 0.000 1.290 413 F CB -0.230 38.777 39.000 0.011 0.000 1.017 413 F HN -0.046 nan 8.300 nan 0.000 0.483 414 S N -0.786 114.877 115.700 -0.062 0.000 2.355 414 S HA -0.202 4.307 4.470 0.066 0.000 0.222 414 S C 2.035 176.490 174.600 -0.241 0.000 1.031 414 S CA 1.364 59.430 58.200 -0.223 0.000 0.993 414 S CB -0.777 62.332 63.200 -0.152 0.000 0.859 414 S HN 0.530 nan 8.310 nan 0.000 0.453 415 Y N 1.915 122.213 120.300 -0.003 0.000 2.439 415 Y HA -0.057 4.530 4.550 0.062 0.000 0.292 415 Y C 2.978 178.578 175.900 -0.501 0.000 1.130 415 Y CA 1.291 59.427 58.100 0.060 0.000 1.254 415 Y CB -0.561 38.797 38.460 1.496 0.000 1.000 415 Y HN 0.514 nan 8.280 nan 0.000 0.554 416 T N -2.814 111.366 114.554 -0.624 0.000 2.852 416 T HA -0.146 4.244 4.350 0.066 0.000 0.256 416 T C 1.578 176.075 174.700 -0.338 0.000 1.038 416 T CA 1.163 62.994 62.100 -0.449 0.000 1.141 416 T CB -0.593 68.070 68.868 -0.341 0.000 0.869 416 T HN 0.242 nan 8.240 nan 0.000 0.439 417 D N 1.403 121.540 120.400 -0.438 0.000 2.106 417 D HA -0.170 4.510 4.640 0.066 0.000 0.191 417 D C 2.274 178.417 176.300 -0.262 0.000 0.997 417 D CA 2.089 55.847 54.000 -0.403 0.000 0.834 417 D CB -0.898 39.465 40.800 -0.729 0.000 0.956 417 D HN 0.396 nan 8.370 nan 0.000 0.448 418 T N -1.030 113.357 114.554 -0.277 0.000 2.833 418 T HA -0.148 4.242 4.350 0.066 0.000 0.269 418 T C 1.656 176.234 174.700 -0.204 0.000 1.054 418 T CA 1.328 63.309 62.100 -0.199 0.000 1.135 418 T CB -0.233 68.513 68.868 -0.204 0.000 0.869 418 T HN 0.188 nan 8.240 nan 0.000 0.466 419 Q N 0.655 120.263 119.800 -0.321 0.000 2.291 419 Q HA -0.021 4.359 4.340 0.066 0.000 0.206 419 Q C 2.260 178.151 176.000 -0.181 0.000 0.976 419 Q CA 0.708 56.270 55.803 -0.401 0.000 0.875 419 Q CB -0.457 27.648 28.738 -1.054 0.000 0.927 419 Q HN 0.514 nan 8.270 nan 0.000 0.450 420 I N 1.218 121.734 120.570 -0.089 0.000 2.208 420 I HA -0.235 3.974 4.170 0.066 0.000 0.245 420 I C 2.410 178.538 176.117 0.019 0.000 1.097 420 I CA 1.856 63.166 61.300 0.015 0.000 1.363 420 I CB -1.444 36.570 38.000 0.023 0.000 1.051 420 I HN 0.220 nan 8.210 nan 0.000 0.413 421 S N 0.499 116.193 115.700 -0.010 0.000 2.387 421 S HA -0.098 4.411 4.470 0.066 0.000 0.221 421 S C 2.184 176.784 174.600 0.000 0.000 1.041 421 S CA 0.337 58.541 58.200 0.007 0.000 0.959 421 S CB -0.428 62.776 63.200 0.006 0.000 0.843 421 S HN 0.321 nan 8.310 nan 0.000 0.488 422 R N 0.936 121.413 120.500 -0.037 0.000 2.081 422 R HA 0.138 4.518 4.340 0.066 0.000 0.235 422 R C 1.531 177.813 176.300 -0.030 0.000 1.131 422 R CA 1.506 57.583 56.100 -0.038 0.000 0.960 422 R CB -0.266 29.987 30.300 -0.078 0.000 0.856 422 R HN 0.466 nan 8.270 nan 0.000 0.436 423 L N -0.958 120.237 121.223 -0.047 0.000 2.728 423 L HA 0.331 4.711 4.340 0.066 0.000 0.238 423 L C 0.904 177.797 176.870 0.037 0.000 1.143 423 L CA 0.321 55.145 54.840 -0.026 0.000 0.937 423 L CB 1.082 43.113 42.059 -0.047 0.000 1.225 423 L HN 0.601 nan 8.230 nan 0.000 0.507 424 G N 0.049 108.894 108.800 0.075 0.000 2.179 424 G HA2 -0.131 3.869 3.960 0.066 0.000 0.260 424 G HA3 -0.131 3.869 3.960 0.066 0.000 0.260 424 G C 0.468 175.502 174.900 0.223 0.000 0.977 424 G CA 0.022 45.221 45.100 0.164 0.000 0.641 424 G HN 0.779 nan 8.290 nan 0.000 0.533 425 G N -1.519 107.400 108.800 0.198 0.000 2.356 425 G HA2 0.585 4.585 3.960 0.066 0.000 0.288 425 G HA3 0.585 4.585 3.960 0.066 0.000 0.288 425 G C -2.136 172.926 174.900 0.269 0.000 1.302 425 G CA 0.409 45.629 45.100 0.199 0.000 0.887 425 G HN 0.494 nan 8.290 nan 0.000 0.521 426 P HA 0.114 nan 4.420 nan 0.000 0.249 426 P C 0.351 177.667 177.300 0.026 0.000 1.229 426 P CA 0.373 63.578 63.100 0.174 0.000 0.788 426 P CB 0.191 31.953 31.700 0.103 0.000 1.072 427 N N 0.459 119.184 118.700 0.040 0.000 2.322 427 N HA 0.042 4.822 4.740 0.066 0.000 0.216 427 N C 1.129 176.479 175.510 -0.267 0.000 1.144 427 N CA -0.117 52.841 53.050 -0.155 0.000 0.830 427 N CB -0.723 37.720 38.487 -0.075 0.000 1.034 427 N HN 0.280 nan 8.380 nan 0.000 0.484 428 F N 0.977 120.902 119.950 -0.041 0.000 2.307 428 F HA -0.135 4.422 4.527 0.050 0.000 0.301 428 F C 2.225 177.952 175.800 -0.122 0.000 1.076 428 F CA 0.917 58.867 58.000 -0.084 0.000 1.383 428 F CB -0.840 38.133 39.000 -0.045 0.000 1.055 428 F HN 0.188 nan 8.300 nan 0.000 0.526 429 H N 0.413 119.134 119.070 -0.581 0.000 2.545 429 H HA 0.050 4.644 4.556 0.064 0.000 0.282 429 H C 0.909 176.078 175.328 -0.265 0.000 1.020 429 H CA 1.339 57.133 56.048 -0.423 0.000 1.243 429 H CB -0.796 28.572 29.762 -0.657 0.000 1.377 429 H HN 0.538 nan 8.280 nan 0.000 0.581 430 E N 0.891 120.668 120.200 -0.705 0.000 2.478 430 E HA 0.174 4.563 4.350 0.066 0.000 0.194 430 E C 0.365 176.846 176.600 -0.198 0.000 1.045 430 E CA -0.261 55.891 56.400 -0.413 0.000 0.868 430 E CB 0.520 29.982 29.700 -0.397 0.000 0.885 430 E HN 0.428 nan 8.360 nan 0.000 0.505 431 I N 2.393 122.868 120.570 -0.158 0.000 2.618 431 I HA -0.038 4.172 4.170 0.066 0.000 0.284 431 I C -1.570 174.485 176.117 -0.103 0.000 1.146 431 I CA -1.489 59.748 61.300 -0.105 0.000 1.425 431 I CB 0.761 38.712 38.000 -0.081 0.000 1.383 431 I HN -0.214 nan 8.210 nan 0.000 0.562 432 P HA -0.207 nan 4.420 nan 0.000 0.215 432 P C 1.748 178.974 177.300 -0.124 0.000 1.153 432 P CA 1.140 64.181 63.100 -0.098 0.000 0.853 432 P CB 0.181 31.829 31.700 -0.087 0.000 0.788 433 I N -0.476 119.992 120.570 -0.169 0.000 2.335 433 I HA -0.221 3.989 4.170 0.066 0.000 0.251 433 I C 1.326 177.366 176.117 -0.128 0.000 1.129 433 I CA 1.760 62.908 61.300 -0.253 0.000 1.402 433 I CB -0.588 37.143 38.000 -0.448 0.000 1.069 433 I HN -0.090 nan 8.210 nan 0.000 0.424 434 N N 0.673 119.316 118.700 -0.096 0.000 2.422 434 N HA 0.027 4.807 4.740 0.066 0.000 0.181 434 N C 0.257 175.772 175.510 0.007 0.000 1.080 434 N CA 0.210 53.234 53.050 -0.043 0.000 0.893 434 N CB -0.147 38.333 38.487 -0.012 0.000 0.973 434 N HN 0.389 nan 8.380 nan 0.000 0.456 435 R N 1.827 122.327 120.500 -0.001 0.000 2.522 435 R HA 0.122 4.502 4.340 0.066 0.000 0.284 435 R C -2.188 174.171 176.300 0.099 0.000 1.032 435 R CA -1.119 54.986 56.100 0.009 0.000 1.049 435 R CB -0.193 30.098 30.300 -0.015 0.000 0.956 435 R HN 0.057 nan 8.270 nan 0.000 0.422 436 P HA -0.032 nan 4.420 nan 0.000 0.269 436 P C 0.669 178.043 177.300 0.122 0.000 1.215 436 P CA -0.003 63.179 63.100 0.137 0.000 0.780 436 P CB 0.642 32.378 31.700 0.059 0.000 0.898 437 T N -1.906 112.735 114.554 0.146 0.000 3.054 437 T HA 0.217 4.607 4.350 0.066 0.000 0.259 437 T C 0.937 175.685 174.700 0.080 0.000 1.092 437 T CA 0.157 62.299 62.100 0.069 0.000 1.121 437 T CB -0.375 68.518 68.868 0.041 0.000 0.912 437 T HN 0.474 nan 8.240 nan 0.000 0.489 438 A N 3.081 125.962 122.820 0.103 0.000 2.386 438 A HA 0.558 4.918 4.320 0.066 0.000 0.248 438 A C -2.203 175.438 177.584 0.096 0.000 1.082 438 A CA -1.389 50.705 52.037 0.095 0.000 0.789 438 A CB -0.368 18.690 19.000 0.097 0.000 1.025 438 A HN 0.285 nan 8.150 nan 0.000 0.490 439 P HA 0.276 nan 4.420 nan 0.000 0.268 439 P C -1.070 176.284 177.300 0.091 0.000 1.205 439 P CA 0.655 63.810 63.100 0.092 0.000 0.771 439 P CB 0.106 31.912 31.700 0.175 0.000 0.858 440 Y N 0.827 120.989 120.300 -0.230 0.000 2.421 440 Y HA 0.674 5.264 4.550 0.066 0.000 0.339 440 Y C -1.386 174.148 175.900 -0.610 0.000 0.996 440 Y CA -0.976 56.971 58.100 -0.255 0.000 1.046 440 Y CB 1.484 39.830 38.460 -0.189 0.000 1.226 440 Y HN 0.422 nan 8.280 nan 0.000 0.445 441 H N 3.767 122.695 119.070 -0.237 0.000 2.947 441 H HA 0.520 5.116 4.556 0.067 0.000 0.354 441 H C -1.167 174.024 175.328 -0.228 0.000 1.085 441 H CA -0.765 55.072 56.048 -0.352 0.000 1.253 441 H CB 1.589 31.193 29.762 -0.262 0.000 1.757 441 H HN 0.896 nan 8.280 nan 0.000 0.523 442 N N 0.517 119.095 118.700 -0.203 0.000 3.449 442 N HA 0.206 4.986 4.740 0.066 0.000 0.312 442 N C -1.153 174.113 175.510 -0.406 0.000 1.582 442 N CA -0.942 51.949 53.050 -0.266 0.000 0.850 442 N CB 0.698 39.187 38.487 0.004 0.000 1.822 442 N HN 0.302 nan 8.380 nan 0.000 0.577 443 F N -0.427 119.564 119.950 0.069 0.000 2.639 443 F HA 0.361 4.924 4.527 0.059 0.000 0.302 443 F C 0.424 176.267 175.800 0.071 0.000 1.097 443 F CA -0.397 57.638 58.000 0.059 0.000 1.294 443 F CB 0.245 39.274 39.000 0.047 0.000 1.027 443 F HN 0.126 nan 8.300 nan 0.000 0.550 444 Q N 1.752 121.661 119.800 0.182 0.000 2.352 444 Q HA 0.382 4.762 4.340 0.066 0.000 0.260 444 Q C 0.024 176.102 176.000 0.130 0.000 0.976 444 Q CA 0.054 55.942 55.803 0.142 0.000 0.881 444 Q CB 0.983 29.781 28.738 0.099 0.000 1.235 444 Q HN 0.100 nan 8.270 nan 0.000 0.419 445 R N 1.737 122.306 120.500 0.115 0.000 2.774 445 R HA 0.360 4.740 4.340 0.066 0.000 0.272 445 R C -0.695 175.652 176.300 0.079 0.000 1.000 445 R CA -0.634 55.525 56.100 0.098 0.000 0.906 445 R CB 1.334 31.694 30.300 0.100 0.000 1.227 445 R HN 0.714 nan 8.270 nan 0.000 0.468 446 D N -0.202 120.237 120.400 0.065 0.000 3.555 446 D HA -0.149 4.531 4.640 0.066 0.000 0.215 446 D C 0.279 176.605 176.300 0.043 0.000 1.480 446 D CA 1.914 55.942 54.000 0.046 0.000 1.126 446 D CB -1.108 39.717 40.800 0.042 0.000 0.676 446 D HN 0.916 nan 8.370 nan 0.000 0.824 447 G N -1.122 107.697 108.800 0.031 0.000 2.733 447 G HA2 0.195 4.195 3.960 0.066 0.000 0.686 447 G HA3 0.195 4.195 3.960 0.066 0.000 0.686 447 G C -0.204 174.694 174.900 -0.003 0.000 1.373 447 G CA 0.108 45.225 45.100 0.028 0.000 0.838 447 G HN 0.827 nan 8.290 nan 0.000 0.588 448 M N 2.296 121.877 119.600 -0.033 0.000 2.252 448 M HA 0.422 4.942 4.480 0.066 0.000 0.321 448 M C 1.422 177.644 176.300 -0.131 0.000 1.070 448 M CA 0.906 56.096 55.300 -0.184 0.000 1.143 448 M CB -0.365 32.067 32.600 -0.281 0.000 1.498 448 M HN 1.201 nan 8.290 nan 0.000 0.445 449 H N 0.151 119.224 119.070 0.005 0.000 2.839 449 H HA -0.164 4.431 4.556 0.064 0.000 0.298 449 H C -0.398 174.919 175.328 -0.018 0.000 1.224 449 H CA 0.740 56.786 56.048 -0.002 0.000 1.144 449 H CB -1.883 27.879 29.762 -0.001 0.000 1.372 449 H HN 0.614 nan 8.280 nan 0.000 0.408 450 R N 1.259 121.788 120.500 0.047 0.000 2.316 450 R HA 0.133 4.513 4.340 0.066 0.000 0.314 450 R C 1.300 177.614 176.300 0.024 0.000 1.069 450 R CA -0.119 55.999 56.100 0.030 0.000 0.959 450 R CB 0.343 30.657 30.300 0.024 0.000 0.987 450 R HN 0.118 nan 8.270 nan 0.000 0.446 451 M N 2.530 122.133 119.600 0.005 0.000 2.412 451 M HA 0.215 4.735 4.480 0.066 0.000 0.263 451 M C 0.966 177.268 176.300 0.002 0.000 1.122 451 M CA 1.049 56.349 55.300 -0.000 0.000 1.179 451 M CB -0.843 31.743 32.600 -0.023 0.000 1.335 451 M HN 0.696 nan 8.290 nan 0.000 0.465 452 G N 1.794 110.600 108.800 0.010 0.000 2.365 452 G HA2 0.410 4.410 3.960 0.066 0.000 0.249 452 G HA3 0.410 4.410 3.960 0.066 0.000 0.249 452 G C -0.371 174.532 174.900 0.006 0.000 1.288 452 G CA -0.406 44.699 45.100 0.007 0.000 0.887 452 G HN 0.310 nan 8.290 nan 0.000 0.524 453 I N 2.820 123.387 120.570 -0.006 0.000 2.306 453 I HA 0.101 4.311 4.170 0.066 0.000 0.288 453 I C -0.278 175.835 176.117 -0.007 0.000 1.036 453 I CA -0.507 60.793 61.300 -0.000 0.000 1.221 453 I CB 0.925 38.925 38.000 -0.001 0.000 1.385 453 I HN 0.351 nan 8.210 nan 0.000 0.472 454 D N 4.846 125.247 120.400 0.002 0.000 2.351 454 D HA 0.072 4.752 4.640 0.066 0.000 0.251 454 D C 1.207 177.512 176.300 0.008 0.000 1.137 454 D CA 0.185 54.183 54.000 -0.003 0.000 0.879 454 D CB 1.885 42.689 40.800 0.007 0.000 1.181 454 D HN 0.567 nan 8.370 nan 0.000 0.448 455 T N -0.775 113.779 114.554 0.000 0.000 3.060 455 T HA -0.065 4.325 4.350 0.066 0.000 0.249 455 T C 0.856 175.568 174.700 0.020 0.000 1.079 455 T CA -0.496 61.609 62.100 0.007 0.000 1.013 455 T CB 0.143 69.009 68.868 -0.004 0.000 0.975 455 T HN 0.120 nan 8.240 nan 0.000 0.518 456 N N 3.328 122.041 118.700 0.023 0.000 2.411 456 N HA 0.087 4.867 4.740 0.066 0.000 0.265 456 N C -1.682 173.871 175.510 0.073 0.000 1.266 456 N CA -1.532 51.545 53.050 0.045 0.000 0.889 456 N CB 1.400 39.918 38.487 0.051 0.000 1.069 456 N HN 0.063 nan 8.380 nan 0.000 0.476 457 P HA -0.040 nan 4.420 nan 0.000 0.219 457 P C -0.566 176.799 177.300 0.108 0.000 1.146 457 P CA 0.954 64.102 63.100 0.081 0.000 0.808 457 P CB 0.203 31.946 31.700 0.071 0.000 0.779 458 A N 0.681 123.558 122.820 0.094 0.000 2.305 458 A HA 0.395 4.755 4.320 0.066 0.000 0.322 458 A C 0.463 178.155 177.584 0.179 0.000 1.187 458 A CA -0.670 51.377 52.037 0.016 0.000 0.825 458 A CB 0.007 18.868 19.000 -0.232 0.000 1.164 458 A HN 0.266 nan 8.150 nan 0.000 0.498 459 N N 0.545 119.387 118.700 0.236 0.000 2.401 459 N HA 0.391 5.171 4.740 0.066 0.000 0.264 459 N C -0.886 174.786 175.510 0.270 0.000 1.238 459 N CA -0.364 52.900 53.050 0.357 0.000 0.889 459 N CB 0.286 38.939 38.487 0.276 0.000 1.196 459 N HN 0.691 nan 8.380 nan 0.000 0.511 460 Y N -1.355 118.796 120.300 -0.248 0.000 2.624 460 Y HA 0.624 5.211 4.550 0.062 0.000 0.334 460 Y C -1.674 173.617 175.900 -1.015 0.000 1.155 460 Y CA -1.357 56.436 58.100 -0.510 0.000 1.046 460 Y CB 0.903 39.230 38.460 -0.222 0.000 1.316 460 Y HN 0.110 nan 8.280 nan 0.000 0.457 461 E N 0.834 120.561 120.200 -0.789 0.000 2.390 461 E HA 0.645 5.035 4.350 0.066 0.000 0.277 461 E C -3.175 173.316 176.600 -0.181 0.000 0.939 461 E CA -2.031 53.997 56.400 -0.620 0.000 0.769 461 E CB 1.590 30.865 29.700 -0.709 0.000 1.251 461 E HN 0.581 nan 8.360 nan 0.000 0.450 462 P HA 0.227 nan 4.420 nan 0.000 0.271 462 P C -1.243 175.999 177.300 -0.096 0.000 1.216 462 P CA -0.299 62.728 63.100 -0.120 0.000 0.776 462 P CB 0.363 32.029 31.700 -0.055 0.000 0.881 463 N N -1.178 117.384 118.700 -0.230 0.000 2.229 463 N HA 0.334 5.113 4.740 0.066 0.000 0.298 463 N C 0.359 175.812 175.510 -0.095 0.000 1.114 463 N CA -0.757 52.167 53.050 -0.209 0.000 0.776 463 N CB 1.521 39.592 38.487 -0.693 0.000 1.501 463 N HN 0.186 nan 8.380 nan 0.000 0.474 464 S N 0.931 116.627 115.700 -0.007 0.000 2.492 464 S HA -0.025 4.484 4.470 0.066 0.000 0.218 464 S C 1.573 176.183 174.600 0.017 0.000 1.016 464 S CA 0.098 58.298 58.200 -0.000 0.000 0.916 464 S CB -0.797 62.417 63.200 0.022 0.000 0.791 464 S HN 0.721 nan 8.310 nan 0.000 0.513 465 I N -0.734 119.854 120.570 0.031 0.000 2.830 465 I HA 0.207 4.417 4.170 0.066 0.000 0.263 465 I C 1.281 177.429 176.117 0.051 0.000 1.230 465 I CA 1.251 62.582 61.300 0.051 0.000 1.480 465 I CB -0.382 37.669 38.000 0.086 0.000 1.095 465 I HN 0.177 nan 8.210 nan 0.000 0.455 466 N N 1.203 119.928 118.700 0.041 0.000 2.291 466 N HA 0.039 4.819 4.740 0.066 0.000 0.244 466 N C -0.086 175.524 175.510 0.166 0.000 1.216 466 N CA -0.061 53.055 53.050 0.109 0.000 0.879 466 N CB -0.006 38.560 38.487 0.132 0.000 1.167 466 N HN 0.197 nan 8.380 nan 0.000 0.515 467 D N 0.776 121.222 120.400 0.077 0.000 2.751 467 D HA -0.258 4.421 4.640 0.066 0.000 0.233 467 D C -0.048 176.135 176.300 -0.196 0.000 1.149 467 D CA 1.046 55.055 54.000 0.014 0.000 0.682 467 D CB -1.336 39.552 40.800 0.147 0.000 1.068 467 D HN 0.479 nan 8.370 nan 0.000 0.429 468 N N -1.733 116.880 118.700 -0.145 0.000 2.753 468 N HA -0.249 4.531 4.740 0.066 0.000 0.251 468 N C -0.772 174.637 175.510 -0.169 0.000 1.097 468 N CA 1.410 54.339 53.050 -0.201 0.000 0.786 468 N CB -1.289 37.035 38.487 -0.272 0.000 1.137 468 N HN 0.537 nan 8.380 nan 0.000 0.566 469 W N 1.103 122.452 121.300 0.081 0.000 2.313 469 W HA 0.425 5.124 4.660 0.065 0.000 0.328 469 W C -1.625 174.934 176.519 0.066 0.000 1.197 469 W CA -1.574 55.802 57.345 0.051 0.000 1.235 469 W CB 0.457 29.895 29.460 -0.036 0.000 1.158 469 W HN -0.031 nan 8.180 nan 0.000 0.578 470 P HA 0.187 nan 4.420 nan 0.000 0.275 470 P C -0.688 176.735 177.300 0.205 0.000 1.228 470 P CA -0.137 63.090 63.100 0.211 0.000 0.786 470 P CB 0.978 32.649 31.700 -0.049 0.000 0.927 471 R N 1.213 121.813 120.500 0.167 0.000 2.604 471 R HA 0.305 4.685 4.340 0.066 0.000 0.287 471 R C 0.364 176.695 176.300 0.052 0.000 0.970 471 R CA -0.827 55.258 56.100 -0.025 0.000 0.946 471 R CB 1.125 31.198 30.300 -0.379 0.000 1.127 471 R HN 0.498 nan 8.270 nan 0.000 0.473 472 E N 0.756 120.977 120.200 0.036 0.000 2.459 472 E HA -0.024 4.366 4.350 0.066 0.000 0.264 472 E C -0.529 176.094 176.600 0.039 0.000 1.055 472 E CA 0.857 57.287 56.400 0.050 0.000 0.957 472 E CB 0.560 30.279 29.700 0.031 0.000 0.952 472 E HN 0.362 nan 8.360 nan 0.000 0.448 473 T N 3.571 118.159 114.554 0.057 0.000 2.879 473 T HA 0.336 4.726 4.350 0.066 0.000 0.290 473 T C -2.440 172.285 174.700 0.040 0.000 0.993 473 T CA -1.545 60.586 62.100 0.052 0.000 0.975 473 T CB 1.504 70.415 68.868 0.072 0.000 0.981 473 T HN 0.240 nan 8.240 nan 0.000 0.439 474 P HA 0.201 nan 4.420 nan 0.000 0.268 474 P C -2.399 174.908 177.300 0.011 0.000 1.208 474 P CA -1.076 62.032 63.100 0.013 0.000 0.777 474 P CB -0.314 31.389 31.700 0.005 0.000 0.875 475 P HA 0.320 nan 4.420 nan 0.000 0.272 475 P C 0.005 177.294 177.300 -0.019 0.000 1.230 475 P CA 0.290 63.376 63.100 -0.023 0.000 0.788 475 P CB 0.729 32.394 31.700 -0.059 0.000 0.949 476 G N 0.260 109.047 108.800 -0.021 0.000 2.340 476 G HA2 0.312 4.312 3.960 0.066 0.000 0.299 476 G HA3 0.312 4.312 3.960 0.066 0.000 0.299 476 G C -2.612 172.279 174.900 -0.015 0.000 1.291 476 G CA -0.668 44.423 45.100 -0.015 0.000 0.841 476 G HN 0.106 nan 8.290 nan 0.000 0.500 477 P HA 0.096 nan 4.420 nan 0.000 0.216 477 P C 0.266 177.563 177.300 -0.005 0.000 1.150 477 P CA 1.248 64.341 63.100 -0.012 0.000 0.837 477 P CB 0.126 31.822 31.700 -0.007 0.000 0.786 478 K N -2.407 117.996 120.400 0.006 0.000 2.551 478 K HA 0.398 4.758 4.320 0.066 0.000 0.269 478 K C -0.230 176.387 176.600 0.028 0.000 0.949 478 K CA -0.900 55.398 56.287 0.017 0.000 0.849 478 K CB 1.784 34.296 32.500 0.020 0.000 1.411 478 K HN -0.364 nan 8.250 nan 0.000 0.432 479 R N -0.705 119.819 120.500 0.041 0.000 3.847 479 R HA -0.155 4.225 4.340 0.066 0.000 0.304 479 R C 0.055 176.386 176.300 0.052 0.000 1.203 479 R CA 1.079 57.209 56.100 0.051 0.000 0.835 479 R CB -2.335 27.994 30.300 0.049 0.000 1.253 479 R HN 0.938 nan 8.270 nan 0.000 0.516 480 G N -0.609 108.217 108.800 0.043 0.000 2.528 480 G HA2 0.567 4.567 3.960 0.066 0.000 0.289 480 G HA3 0.567 4.567 3.960 0.066 0.000 0.289 480 G C 0.395 175.330 174.900 0.058 0.000 1.192 480 G CA 0.096 45.219 45.100 0.038 0.000 0.921 480 G HN 0.247 nan 8.290 nan 0.000 0.512 481 G N -1.212 107.623 108.800 0.057 0.000 2.527 481 G HA2 0.385 4.385 3.960 0.066 0.000 0.248 481 G HA3 0.385 4.385 3.960 0.066 0.000 0.248 481 G C -0.546 174.410 174.900 0.093 0.000 1.231 481 G CA -0.519 44.636 45.100 0.091 0.000 0.838 481 G HN 0.449 nan 8.290 nan 0.000 0.570 482 F N 0.626 120.592 119.950 0.026 0.000 2.504 482 F HA 0.352 4.921 4.527 0.070 0.000 0.369 482 F C 0.601 176.415 175.800 0.024 0.000 1.082 482 F CA -0.086 57.925 58.000 0.018 0.000 1.216 482 F CB 0.808 39.822 39.000 0.023 0.000 1.108 482 F HN 0.477 nan 8.300 nan 0.000 0.554 483 E N 4.011 123.842 120.200 -0.616 0.000 2.272 483 E HA 0.343 4.733 4.350 0.066 0.000 0.269 483 E C -1.180 175.047 176.600 -0.621 0.000 0.877 483 E CA -0.817 55.353 56.400 -0.382 0.000 0.755 483 E CB 1.613 31.187 29.700 -0.209 0.000 1.192 483 E HN 0.603 nan 8.360 nan 0.000 0.422 484 S N 2.371 117.933 115.700 -0.230 0.000 2.576 484 S HA 0.042 4.552 4.470 0.066 0.000 0.276 484 S C -0.669 173.901 174.600 -0.049 0.000 1.339 484 S CA -0.398 57.756 58.200 -0.076 0.000 1.039 484 S CB 0.190 63.483 63.200 0.155 0.000 0.902 484 S HN 0.477 nan 8.310 nan 0.000 0.516 485 Y N 2.399 122.625 120.300 -0.123 0.000 2.511 485 Y HA 0.023 4.612 4.550 0.065 0.000 0.332 485 Y C 0.839 176.712 175.900 -0.046 0.000 1.177 485 Y CA 0.049 58.087 58.100 -0.102 0.000 1.422 485 Y CB 0.235 38.633 38.460 -0.104 0.000 1.271 485 Y HN 0.594 nan 8.280 nan 0.000 0.550 486 Q N 5.070 124.482 119.800 -0.646 0.000 3.141 486 Q HA -0.010 4.370 4.340 0.066 0.000 0.304 486 Q C -0.273 175.406 176.000 -0.536 0.000 1.305 486 Q CA 0.062 55.581 55.803 -0.473 0.000 0.929 486 Q CB -0.298 28.241 28.738 -0.331 0.000 1.701 486 Q HN 0.635 nan 8.270 nan 0.000 0.483 487 E N 1.321 121.311 120.200 -0.350 0.000 2.384 487 E HA 0.006 4.396 4.350 0.066 0.000 0.266 487 E C -0.228 176.341 176.600 -0.052 0.000 1.012 487 E CA -0.546 55.785 56.400 -0.115 0.000 0.901 487 E CB 0.627 30.411 29.700 0.141 0.000 0.967 487 E HN 0.110 nan 8.360 nan 0.000 0.435 488 R N 3.189 123.680 120.500 -0.015 0.000 2.449 488 R HA 0.142 4.521 4.340 0.066 0.000 0.296 488 R C -1.434 174.890 176.300 0.041 0.000 1.047 488 R CA -0.055 56.049 56.100 0.007 0.000 1.018 488 R CB 0.566 30.878 30.300 0.020 0.000 0.962 488 R HN 0.285 nan 8.270 nan 0.000 0.428 489 V N 5.249 125.179 119.914 0.027 0.000 2.417 489 V HA 0.402 4.562 4.120 0.066 0.000 0.291 489 V C -0.410 175.699 176.094 0.025 0.000 1.024 489 V CA -0.533 61.789 62.300 0.035 0.000 0.861 489 V CB 1.630 33.471 31.823 0.030 0.000 0.985 489 V HN 0.816 nan 8.190 nan 0.000 0.436 490 E N 2.908 123.125 120.200 0.028 0.000 2.302 490 E HA 0.682 5.072 4.350 0.066 0.000 0.263 490 E C -0.115 176.492 176.600 0.012 0.000 0.897 490 E CA -0.362 56.047 56.400 0.016 0.000 0.809 490 E CB 2.217 31.926 29.700 0.016 0.000 1.270 490 E HN 0.965 nan 8.360 nan 0.000 0.410 491 G N 2.369 111.172 108.800 0.004 0.000 2.322 491 G HA2 0.180 4.180 3.960 0.066 0.000 0.295 491 G HA3 0.180 4.180 3.960 0.066 0.000 0.295 491 G C -1.484 173.412 174.900 -0.008 0.000 1.369 491 G CA -1.001 44.097 45.100 -0.002 0.000 0.821 491 G HN 0.344 nan 8.290 nan 0.000 0.536 492 N N 0.045 118.737 118.700 -0.013 0.000 2.495 492 N HA 0.429 5.209 4.740 0.066 0.000 0.280 492 N C -0.253 175.245 175.510 -0.020 0.000 1.168 492 N CA -0.579 52.461 53.050 -0.015 0.000 0.978 492 N CB 1.093 39.570 38.487 -0.017 0.000 1.191 492 N HN 0.420 nan 8.380 nan 0.000 0.497 493 K N 1.029 121.417 120.400 -0.021 0.000 2.361 493 K HA 0.150 4.510 4.320 0.066 0.000 0.283 493 K C -0.692 175.888 176.600 -0.034 0.000 1.078 493 K CA -0.079 56.192 56.287 -0.027 0.000 1.041 493 K CB -0.337 32.148 32.500 -0.025 0.000 0.932 493 K HN 0.336 nan 8.250 nan 0.000 0.462 494 V N 0.281 120.170 119.914 -0.042 0.000 2.925 494 V HA 0.463 4.623 4.120 0.066 0.000 0.311 494 V C -0.574 175.482 176.094 -0.064 0.000 1.104 494 V CA -1.336 60.935 62.300 -0.048 0.000 0.954 494 V CB 2.016 33.812 31.823 -0.045 0.000 1.022 494 V HN 0.614 nan 8.190 nan 0.000 0.427 495 R N 2.490 122.948 120.500 -0.070 0.000 2.369 495 R HA 0.613 4.993 4.340 0.066 0.000 0.310 495 R C -0.506 175.749 176.300 -0.075 0.000 1.141 495 R CA -0.150 55.897 56.100 -0.088 0.000 1.116 495 R CB 0.875 31.110 30.300 -0.108 0.000 1.135 495 R HN 0.947 nan 8.270 nan 0.000 0.529 496 E N 2.174 122.325 120.200 -0.081 0.000 2.321 496 E HA 0.220 4.610 4.350 0.066 0.000 0.281 496 E C -1.297 175.237 176.600 -0.111 0.000 0.910 496 E CA -1.004 55.350 56.400 -0.076 0.000 0.770 496 E CB 1.580 31.241 29.700 -0.065 0.000 1.225 496 E HN 0.146 nan 8.360 nan 0.000 0.417 497 R N 1.907 122.346 120.500 -0.101 0.000 2.389 497 R HA 0.215 4.595 4.340 0.066 0.000 0.295 497 R C -0.512 175.669 176.300 -0.198 0.000 1.075 497 R CA 0.062 56.062 56.100 -0.168 0.000 1.005 497 R CB 1.167 31.427 30.300 -0.066 0.000 0.987 497 R HN 0.412 nan 8.270 nan 0.000 0.452 498 S N 5.118 120.583 115.700 -0.392 0.000 2.546 498 S HA 0.059 4.569 4.470 0.066 0.000 0.290 498 S C -1.499 173.066 174.600 -0.059 0.000 1.290 498 S CA -1.123 56.926 58.200 -0.252 0.000 1.069 498 S CB 0.576 63.557 63.200 -0.364 0.000 0.846 498 S HN 0.544 nan 8.310 nan 0.000 0.495 499 P HA -0.105 nan 4.420 nan 0.000 0.219 499 P C 1.468 178.821 177.300 0.088 0.000 1.146 499 P CA 1.237 64.359 63.100 0.037 0.000 0.808 499 P CB -0.125 31.588 31.700 0.021 0.000 0.779 500 S N -2.269 113.523 115.700 0.154 0.000 2.507 500 S HA -0.085 4.425 4.470 0.066 0.000 0.235 500 S C 1.416 176.181 174.600 0.276 0.000 0.988 500 S CA 0.713 59.035 58.200 0.204 0.000 0.944 500 S CB -1.317 62.039 63.200 0.260 0.000 0.762 500 S HN -0.019 nan 8.310 nan 0.000 0.526 501 F N 2.251 122.192 119.950 -0.015 0.000 2.797 501 F HA 0.386 4.953 4.527 0.066 0.000 0.302 501 F C 1.896 177.630 175.800 -0.111 0.000 1.130 501 F CA -0.779 57.208 58.000 -0.021 0.000 1.387 501 F CB -0.432 38.587 39.000 0.033 0.000 1.107 501 F HN 0.353 nan 8.300 nan 0.000 0.577 502 G N 0.432 109.229 108.800 -0.006 0.000 3.741 502 G HA2 0.144 4.144 3.960 0.066 0.000 0.263 502 G HA3 0.144 4.144 3.960 0.066 0.000 0.263 502 G C -0.147 174.325 174.900 -0.715 0.000 1.175 502 G CA 0.077 44.999 45.100 -0.296 0.000 1.642 502 G HN 0.031 nan 8.290 nan 0.000 0.644 503 E N 0.131 119.817 120.200 -0.857 0.000 2.275 503 E HA 0.366 4.756 4.350 0.066 0.000 0.270 503 E C -0.939 175.199 176.600 -0.770 0.000 0.882 503 E CA -0.755 55.211 56.400 -0.724 0.000 0.758 503 E CB 1.701 31.245 29.700 -0.261 0.000 1.195 503 E HN 0.196 nan 8.360 nan 0.000 0.419 504 Y N 2.334 122.442 120.300 -0.321 0.000 2.448 504 Y HA 0.199 4.789 4.550 0.066 0.000 0.257 504 Y C 0.744 176.409 175.900 -0.392 0.000 1.089 504 Y CA -0.136 57.689 58.100 -0.458 0.000 1.245 504 Y CB 0.394 38.428 38.460 -0.710 0.000 1.282 504 Y HN 0.412 nan 8.280 nan 0.000 0.529 505 Y N -1.753 118.637 120.300 0.150 0.000 2.535 505 Y HA 0.164 4.755 4.550 0.067 0.000 0.264 505 Y C 2.248 178.215 175.900 0.111 0.000 1.087 505 Y CA 0.222 58.406 58.100 0.139 0.000 1.285 505 Y CB -0.217 38.330 38.460 0.144 0.000 1.200 505 Y HN -0.128 nan 8.280 nan 0.000 0.514 506 S N -0.585 115.251 115.700 0.226 0.000 2.368 506 S HA -0.174 4.336 4.470 0.066 0.000 0.225 506 S C 1.667 176.345 174.600 0.129 0.000 1.030 506 S CA 1.392 59.706 58.200 0.190 0.000 0.999 506 S CB -0.395 62.927 63.200 0.203 0.000 0.844 506 S HN 0.573 nan 8.310 nan 0.000 0.459 507 H N 0.757 119.746 119.070 -0.135 0.000 2.357 507 H HA 0.002 4.598 4.556 0.067 0.000 0.301 507 H C -0.603 174.524 175.328 -0.334 0.000 1.082 507 H CA 1.067 56.885 56.048 -0.383 0.000 1.342 507 H CB -1.267 28.048 29.762 -0.746 0.000 1.389 507 H HN 0.328 nan 8.280 nan 0.000 0.511 508 P HA -0.160 nan 4.420 nan 0.000 0.215 508 P C 1.658 179.144 177.300 0.310 0.000 1.153 508 P CA 1.383 64.630 63.100 0.246 0.000 0.853 508 P CB -0.109 31.764 31.700 0.289 0.000 0.788 509 R N -0.397 120.238 120.500 0.224 0.000 2.073 509 R HA -0.143 4.236 4.340 0.066 0.000 0.234 509 R C 2.139 178.569 176.300 0.217 0.000 1.134 509 R CA 1.248 57.485 56.100 0.228 0.000 0.952 509 R CB -1.147 29.248 30.300 0.160 0.000 0.850 509 R HN 0.034 nan 8.270 nan 0.000 0.433 510 L N 0.595 121.885 121.223 0.111 0.000 2.013 510 L HA -0.187 4.193 4.340 0.066 0.000 0.212 510 L C 2.018 178.939 176.870 0.085 0.000 1.073 510 L CA 1.835 56.702 54.840 0.044 0.000 0.753 510 L CB -0.878 41.130 42.059 -0.086 0.000 0.890 510 L HN 0.255 nan 8.230 nan 0.000 0.432 511 F N -0.795 119.167 119.950 0.020 0.000 2.095 511 F HA -0.293 4.275 4.527 0.067 0.000 0.298 511 F C 2.371 178.164 175.800 -0.012 0.000 1.104 511 F CA 2.255 60.246 58.000 -0.015 0.000 1.232 511 F CB -0.694 38.326 39.000 0.033 0.000 0.987 511 F HN 0.400 nan 8.300 nan 0.000 0.475 512 W N 1.265 122.573 121.300 0.013 0.000 2.317 512 W HA -0.265 4.434 4.660 0.066 0.000 0.318 512 W C 1.742 178.145 176.519 -0.193 0.000 1.227 512 W CA 1.841 59.143 57.345 -0.072 0.000 1.269 512 W CB -0.757 28.739 29.460 0.060 0.000 1.155 512 W HN 0.079 nan 8.180 nan 0.000 0.484 513 L N 1.066 122.199 121.223 -0.149 0.000 2.465 513 L HA -0.132 4.248 4.340 0.066 0.000 0.224 513 L C 2.214 178.885 176.870 -0.332 0.000 1.145 513 L CA 0.920 55.606 54.840 -0.255 0.000 0.834 513 L CB -0.524 41.517 42.059 -0.029 0.000 0.944 513 L HN -0.119 nan 8.230 nan 0.000 0.451 514 S N -1.495 113.982 115.700 -0.373 0.000 2.575 514 S HA 0.087 4.597 4.470 0.066 0.000 0.215 514 S C 0.658 174.959 174.600 -0.498 0.000 0.966 514 S CA -0.092 57.887 58.200 -0.367 0.000 0.911 514 S CB 0.125 63.133 63.200 -0.319 0.000 0.780 514 S HN 0.272 nan 8.310 nan 0.000 0.514 515 Q N 2.142 121.546 119.800 -0.661 0.000 2.260 515 Q HA 0.308 4.688 4.340 0.066 0.000 0.238 515 Q C 0.616 176.221 176.000 -0.659 0.000 0.948 515 Q CA -0.110 55.265 55.803 -0.713 0.000 0.895 515 Q CB 0.533 28.784 28.738 -0.812 0.000 1.218 515 Q HN 0.418 nan 8.270 nan 0.000 0.470 516 T N -2.061 112.054 114.554 -0.730 0.000 2.766 516 T HA 0.183 4.573 4.350 0.066 0.000 0.295 516 T C -1.769 172.465 174.700 -0.778 0.000 1.024 516 T CA -1.331 60.301 62.100 -0.781 0.000 1.018 516 T CB 0.310 68.443 68.868 -1.225 0.000 1.002 516 T HN 0.225 nan 8.240 nan 0.000 0.532 517 P HA 0.009 nan 4.420 nan 0.000 0.217 517 P C 1.413 178.496 177.300 -0.361 0.000 1.150 517 P CA 0.880 63.751 63.100 -0.382 0.000 0.832 517 P CB -0.275 31.320 31.700 -0.176 0.000 0.787 518 F N 0.056 119.811 119.950 -0.324 0.000 2.234 518 F HA 0.019 4.586 4.527 0.066 0.000 0.299 518 F C 1.816 177.244 175.800 -0.619 0.000 1.087 518 F CA 0.868 58.610 58.000 -0.431 0.000 1.340 518 F CB -1.667 37.069 39.000 -0.441 0.000 1.031 518 F HN -0.101 nan 8.300 nan 0.000 0.500 519 E N 0.597 120.252 120.200 -0.909 0.000 2.110 519 E HA -0.212 4.178 4.350 0.066 0.000 0.193 519 E C 2.217 178.625 176.600 -0.320 0.000 0.988 519 E CA 1.445 57.517 56.400 -0.547 0.000 0.804 519 E CB -0.278 29.047 29.700 -0.625 0.000 0.745 519 E HN 0.637 nan 8.360 nan 0.000 0.458 520 Q N 0.359 119.893 119.800 -0.443 0.000 2.050 520 Q HA -0.187 4.193 4.340 0.066 0.000 0.202 520 Q C 2.321 178.357 176.000 0.059 0.000 0.980 520 Q CA 1.125 56.712 55.803 -0.360 0.000 0.840 520 Q CB -0.226 28.048 28.738 -0.773 0.000 0.898 520 Q HN 0.146 nan 8.270 nan 0.000 0.424 521 R N 0.344 120.854 120.500 0.017 0.000 2.091 521 R HA -0.185 4.195 4.340 0.066 0.000 0.238 521 R C 1.732 178.213 176.300 0.302 0.000 1.136 521 R CA 1.700 57.897 56.100 0.163 0.000 0.959 521 R CB -0.183 30.189 30.300 0.119 0.000 0.856 521 R HN 0.521 nan 8.270 nan 0.000 0.437 522 H N -0.550 118.619 119.070 0.164 0.000 2.428 522 H HA -0.031 4.564 4.556 0.066 0.000 0.296 522 H C 2.204 177.657 175.328 0.208 0.000 1.062 522 H CA 1.062 57.223 56.048 0.189 0.000 1.350 522 H CB 0.106 29.986 29.762 0.197 0.000 1.403 522 H HN 0.211 nan 8.280 nan 0.000 0.533 523 I N 0.230 121.023 120.570 0.372 0.000 2.142 523 I HA -0.270 3.940 4.170 0.066 0.000 0.240 523 I C 2.318 178.734 176.117 0.498 0.000 1.078 523 I CA 0.850 62.408 61.300 0.430 0.000 1.343 523 I CB -0.216 38.133 38.000 0.581 0.000 1.046 523 I HN 0.066 nan 8.210 nan 0.000 0.405 524 V N 1.071 121.271 119.914 0.476 0.000 2.278 524 V HA -0.374 3.786 4.120 0.066 0.000 0.251 524 V C 2.095 178.369 176.094 0.300 0.000 1.062 524 V CA 2.298 64.815 62.300 0.362 0.000 1.038 524 V CB -0.753 31.241 31.823 0.285 0.000 0.646 524 V HN 0.444 nan 8.190 nan 0.000 0.447 525 D N 0.274 120.837 120.400 0.272 0.000 2.144 525 D HA -0.099 4.581 4.640 0.066 0.000 0.199 525 D C 2.169 178.565 176.300 0.160 0.000 0.984 525 D CA 1.591 55.721 54.000 0.216 0.000 0.834 525 D CB -0.635 40.296 40.800 0.218 0.000 0.955 525 D HN 0.497 nan 8.370 nan 0.000 0.465 526 G N -0.058 108.819 108.800 0.129 0.000 2.404 526 G HA2 -0.234 3.766 3.960 0.066 0.000 0.215 526 G HA3 -0.234 3.766 3.960 0.066 0.000 0.215 526 G C 1.461 176.378 174.900 0.029 0.000 1.174 526 G CA 0.125 45.207 45.100 -0.029 0.000 0.780 526 G HN 0.161 nan 8.290 nan 0.000 0.537 527 F N 1.890 121.884 119.950 0.073 0.000 2.126 527 F HA -0.106 4.461 4.527 0.067 0.000 0.299 527 F C 3.145 178.858 175.800 -0.145 0.000 1.096 527 F CA 1.637 59.609 58.000 -0.046 0.000 1.255 527 F CB -0.308 38.675 39.000 -0.028 0.000 0.997 527 F HN 0.089 nan 8.300 nan 0.000 0.479 528 S N -0.257 115.543 115.700 0.166 0.000 2.355 528 S HA -0.202 4.308 4.470 0.066 0.000 0.222 528 S C 1.874 176.485 174.600 0.018 0.000 1.031 528 S CA 1.255 59.494 58.200 0.064 0.000 0.993 528 S CB -0.761 62.501 63.200 0.103 0.000 0.859 528 S HN 0.411 nan 8.310 nan 0.000 0.453 529 F N 2.569 122.479 119.950 -0.066 0.000 2.102 529 F HA -0.089 4.478 4.527 0.066 0.000 0.298 529 F C 2.310 178.040 175.800 -0.117 0.000 1.105 529 F CA 1.450 59.397 58.000 -0.088 0.000 1.239 529 F CB -0.280 38.610 39.000 -0.182 0.000 0.991 529 F HN 0.135 nan 8.300 nan 0.000 0.474 530 E N 0.615 120.763 120.200 -0.086 0.000 2.051 530 E HA -0.204 4.186 4.350 0.066 0.000 0.192 530 E C 2.337 178.718 176.600 -0.366 0.000 0.991 530 E CA 1.686 57.999 56.400 -0.145 0.000 0.799 530 E CB -0.536 29.220 29.700 0.093 0.000 0.748 530 E HN 0.471 nan 8.360 nan 0.000 0.449 531 L N 1.422 122.356 121.223 -0.482 0.000 2.275 531 L HA -0.120 4.260 4.340 0.066 0.000 0.215 531 L C 2.711 179.405 176.870 -0.293 0.000 1.119 531 L CA 1.000 55.536 54.840 -0.506 0.000 0.790 531 L CB -0.459 41.319 42.059 -0.469 0.000 0.919 531 L HN 0.138 nan 8.230 nan 0.000 0.443 532 S N -0.546 114.997 115.700 -0.263 0.000 2.447 532 S HA -0.115 4.395 4.470 0.066 0.000 0.233 532 S C 1.788 176.271 174.600 -0.195 0.000 1.006 532 S CA 0.623 58.699 58.200 -0.207 0.000 0.957 532 S CB -0.115 62.964 63.200 -0.202 0.000 0.773 532 S HN 0.274 nan 8.310 nan 0.000 0.507 533 K N 1.327 121.586 120.400 -0.235 0.000 2.444 533 K HA 0.314 4.674 4.320 0.066 0.000 0.193 533 K C 0.064 176.658 176.600 -0.010 0.000 1.024 533 K CA -0.028 56.187 56.287 -0.119 0.000 1.077 533 K CB -0.356 32.071 32.500 -0.122 0.000 0.833 533 K HN 0.340 nan 8.250 nan 0.000 0.517 534 V N 2.238 122.124 119.914 -0.046 0.000 2.439 534 V HA -0.017 4.143 4.120 0.066 0.000 0.271 534 V C 1.798 177.877 176.094 -0.024 0.000 1.040 534 V CA -0.055 62.245 62.300 -0.000 0.000 1.002 534 V CB 1.191 32.984 31.823 -0.051 0.000 1.000 534 V HN -0.119 nan 8.190 nan 0.000 0.477 535 V N 5.165 125.087 119.914 0.013 0.000 2.453 535 V HA -0.056 4.104 4.120 0.066 0.000 0.247 535 V C 1.358 177.433 176.094 -0.032 0.000 1.048 535 V CA 1.332 63.634 62.300 0.003 0.000 1.049 535 V CB -0.449 31.394 31.823 0.033 0.000 0.672 535 V HN 0.755 nan 8.190 nan 0.000 0.457 536 R N 0.773 121.224 120.500 -0.082 0.000 2.220 536 R HA 0.187 4.566 4.340 0.066 0.000 0.340 536 R C -1.754 174.408 176.300 -0.230 0.000 1.076 536 R CA -1.439 54.573 56.100 -0.146 0.000 0.920 536 R CB 0.748 30.878 30.300 -0.283 0.000 1.062 536 R HN 0.244 nan 8.270 nan 0.000 0.469 537 P HA -0.182 nan 4.420 nan 0.000 0.218 537 P C 0.724 177.972 177.300 -0.086 0.000 1.149 537 P CA 1.053 64.111 63.100 -0.070 0.000 0.817 537 P CB 0.016 31.717 31.700 0.001 0.000 0.785 538 Y N -1.236 119.066 120.300 0.002 0.000 2.333 538 Y HA -0.100 4.490 4.550 0.066 0.000 0.290 538 Y C 1.872 177.780 175.900 0.013 0.000 1.144 538 Y CA 0.710 58.813 58.100 0.004 0.000 1.228 538 Y CB -1.803 36.660 38.460 0.004 0.000 0.985 538 Y HN -0.101 nan 8.280 nan 0.000 0.542 539 I N 0.868 121.010 120.570 -0.713 0.000 2.252 539 I HA -0.243 3.967 4.170 0.066 0.000 0.245 539 I C 2.499 178.539 176.117 -0.128 0.000 1.102 539 I CA 1.405 62.492 61.300 -0.355 0.000 1.385 539 I CB -0.394 37.398 38.000 -0.348 0.000 1.064 539 I HN 0.197 nan 8.210 nan 0.000 0.414 540 R N 0.848 121.258 120.500 -0.151 0.000 2.081 540 R HA -0.174 4.206 4.340 0.066 0.000 0.235 540 R C 2.148 178.403 176.300 -0.075 0.000 1.131 540 R CA 1.453 57.477 56.100 -0.127 0.000 0.960 540 R CB -0.416 29.803 30.300 -0.135 0.000 0.856 540 R HN 0.426 nan 8.270 nan 0.000 0.436 541 E N 0.496 120.672 120.200 -0.041 0.000 2.085 541 E HA -0.182 4.208 4.350 0.066 0.000 0.194 541 E C 2.137 178.746 176.600 0.015 0.000 0.994 541 E CA 1.176 57.572 56.400 -0.006 0.000 0.801 541 E CB -0.019 29.701 29.700 0.032 0.000 0.743 541 E HN 0.252 nan 8.360 nan 0.000 0.453 542 R N 0.111 120.637 120.500 0.042 0.000 2.092 542 R HA -0.086 4.294 4.340 0.066 0.000 0.231 542 R C 2.347 178.678 176.300 0.052 0.000 1.119 542 R CA 0.862 57.000 56.100 0.063 0.000 0.970 542 R CB -0.119 30.240 30.300 0.097 0.000 0.864 542 R HN 0.051 nan 8.270 nan 0.000 0.440 543 V N 0.123 120.064 119.914 0.045 0.000 2.358 543 V HA -0.199 3.961 4.120 0.066 0.000 0.246 543 V C 2.235 178.321 176.094 -0.013 0.000 1.047 543 V CA 1.485 63.826 62.300 0.069 0.000 1.035 543 V CB -0.257 31.629 31.823 0.105 0.000 0.658 543 V HN 0.120 nan 8.190 nan 0.000 0.452 544 V N 0.563 120.440 119.914 -0.062 0.000 2.332 544 V HA -0.328 3.831 4.120 0.066 0.000 0.248 544 V C 2.305 178.360 176.094 -0.065 0.000 1.055 544 V CA 2.495 64.731 62.300 -0.107 0.000 1.038 544 V CB -0.717 31.049 31.823 -0.096 0.000 0.651 544 V HN 0.663 nan 8.190 nan 0.000 0.450 545 D N -0.569 119.827 120.400 -0.007 0.000 2.123 545 D HA -0.222 4.457 4.640 0.066 0.000 0.196 545 D C 2.267 178.645 176.300 0.130 0.000 0.992 545 D CA 1.555 55.584 54.000 0.048 0.000 0.833 545 D CB -0.059 40.786 40.800 0.075 0.000 0.954 545 D HN 0.521 nan 8.370 nan 0.000 0.455 546 Q N -0.453 119.399 119.800 0.088 0.000 2.050 546 Q HA -0.110 4.270 4.340 0.066 0.000 0.202 546 Q C 2.496 178.533 176.000 0.062 0.000 0.980 546 Q CA 0.971 56.839 55.803 0.109 0.000 0.840 546 Q CB -0.118 28.698 28.738 0.131 0.000 0.898 546 Q HN 0.398 nan 8.270 nan 0.000 0.424 547 L N 0.179 121.371 121.223 -0.052 0.000 2.079 547 L HA -0.198 4.182 4.340 0.066 0.000 0.210 547 L C 2.428 179.188 176.870 -0.183 0.000 1.081 547 L CA 0.890 55.621 54.840 -0.182 0.000 0.752 547 L CB -0.653 41.187 42.059 -0.366 0.000 0.896 547 L HN 0.223 nan 8.230 nan 0.000 0.433 548 A N -0.774 121.959 122.820 -0.147 0.000 2.125 548 A HA -0.215 4.145 4.320 0.066 0.000 0.219 548 A C 1.761 179.157 177.584 -0.313 0.000 1.156 548 A CA 1.405 53.315 52.037 -0.211 0.000 0.671 548 A CB -0.741 18.141 19.000 -0.196 0.000 0.794 548 A HN 0.466 nan 8.150 nan 0.000 0.459 549 H N -1.341 117.526 119.070 -0.340 0.000 2.548 549 H HA 0.267 4.863 4.556 0.067 0.000 0.268 549 H C 1.607 176.662 175.328 -0.454 0.000 0.975 549 H CA 1.009 56.716 56.048 -0.568 0.000 1.195 549 H CB 0.102 29.104 29.762 -1.267 0.000 1.397 549 H HN 0.503 nan 8.280 nan 0.000 0.572 550 I N -1.196 119.274 120.570 -0.166 0.000 2.900 550 I HA 0.081 4.291 4.170 0.066 0.000 0.251 550 I C -0.134 175.916 176.117 -0.112 0.000 1.102 550 I CA 0.456 61.730 61.300 -0.043 0.000 1.457 550 I CB 0.658 38.662 38.000 0.007 0.000 1.285 550 I HN 0.089 nan 8.210 nan 0.000 0.459 551 D N -0.965 119.294 120.400 -0.235 0.000 2.931 551 D HA 0.230 4.910 4.640 0.066 0.000 0.215 551 D C 0.167 176.299 176.300 -0.280 0.000 1.297 551 D CA -0.417 53.422 54.000 -0.268 0.000 0.892 551 D CB 1.422 41.929 40.800 -0.488 0.000 1.642 551 D HN -0.209 nan 8.370 nan 0.000 0.560 552 L N 2.420 123.537 121.223 -0.176 0.000 2.141 552 L HA 0.011 4.391 4.340 0.066 0.000 0.209 552 L C 2.203 178.988 176.870 -0.141 0.000 1.094 552 L CA 1.631 56.379 54.840 -0.153 0.000 0.763 552 L CB -1.233 40.764 42.059 -0.104 0.000 0.908 552 L HN 0.627 nan 8.230 nan 0.000 0.437 553 T N -0.110 114.384 114.554 -0.101 0.000 2.674 553 T HA -0.190 4.200 4.350 0.066 0.000 0.265 553 T C 1.898 176.529 174.700 -0.114 0.000 1.039 553 T CA 1.444 63.526 62.100 -0.030 0.000 1.150 553 T CB -0.378 68.567 68.868 0.127 0.000 0.864 553 T HN 0.200 nan 8.240 nan 0.000 0.427 554 L N 1.770 122.763 121.223 -0.384 0.000 1.990 554 L HA -0.053 4.327 4.340 0.066 0.000 0.213 554 L C 2.595 179.234 176.870 -0.386 0.000 1.072 554 L CA 2.228 56.686 54.840 -0.638 0.000 0.755 554 L CB -1.152 40.086 42.059 -1.368 0.000 0.889 554 L HN 0.226 nan 8.230 nan 0.000 0.432 555 A N -1.224 121.385 122.820 -0.352 0.000 1.902 555 A HA -0.264 4.096 4.320 0.066 0.000 0.217 555 A C 2.240 179.719 177.584 -0.176 0.000 1.181 555 A CA 1.918 53.794 52.037 -0.267 0.000 0.623 555 A CB -0.644 18.218 19.000 -0.230 0.000 0.818 555 A HN 0.700 nan 8.150 nan 0.000 0.443 556 Q N -0.911 118.810 119.800 -0.132 0.000 2.119 556 Q HA -0.043 4.337 4.340 0.066 0.000 0.201 556 Q C 2.406 178.373 176.000 -0.055 0.000 0.972 556 Q CA 1.231 56.987 55.803 -0.079 0.000 0.847 556 Q CB -0.322 28.386 28.738 -0.051 0.000 0.903 556 Q HN 0.698 nan 8.270 nan 0.000 0.433 557 A N 0.074 122.866 122.820 -0.047 0.000 1.898 557 A HA -0.118 4.241 4.320 0.066 0.000 0.216 557 A C 2.273 179.853 177.584 -0.006 0.000 1.181 557 A CA 1.171 53.209 52.037 0.001 0.000 0.620 557 A CB -0.588 18.444 19.000 0.053 0.000 0.819 557 A HN 0.206 nan 8.150 nan 0.000 0.442 558 V N 0.048 119.928 119.914 -0.057 0.000 2.295 558 V HA -0.258 3.902 4.120 0.066 0.000 0.246 558 V C 3.061 179.117 176.094 -0.063 0.000 1.049 558 V CA 1.952 64.213 62.300 -0.064 0.000 1.024 558 V CB -1.370 30.356 31.823 -0.161 0.000 0.648 558 V HN 0.601 nan 8.190 nan 0.000 0.447 559 A N -0.160 122.613 122.820 -0.079 0.000 1.908 559 A HA -0.300 4.060 4.320 0.066 0.000 0.218 559 A C 2.356 179.919 177.584 -0.035 0.000 1.181 559 A CA 2.360 54.359 52.037 -0.062 0.000 0.627 559 A CB -0.531 18.430 19.000 -0.065 0.000 0.818 559 A HN 0.547 nan 8.150 nan 0.000 0.445 560 K N -0.412 119.975 120.400 -0.022 0.000 2.026 560 K HA -0.181 4.178 4.320 0.066 0.000 0.208 560 K C 1.513 178.115 176.600 0.004 0.000 1.048 560 K CA 1.591 57.875 56.287 -0.004 0.000 0.929 560 K CB -0.220 32.285 32.500 0.007 0.000 0.713 560 K HN 0.423 nan 8.250 nan 0.000 0.439 561 N N 0.694 119.400 118.700 0.010 0.000 2.443 561 N HA -0.114 4.666 4.740 0.066 0.000 0.184 561 N C 1.228 176.738 175.510 -0.000 0.000 1.037 561 N CA 0.897 53.958 53.050 0.019 0.000 0.896 561 N CB 0.078 38.589 38.487 0.041 0.000 0.959 561 N HN 0.286 nan 8.380 nan 0.000 0.442 562 L N -1.030 120.181 121.223 -0.020 0.000 2.693 562 L HA 0.275 4.654 4.340 0.066 0.000 0.235 562 L C 0.956 177.811 176.870 -0.026 0.000 1.127 562 L CA -0.111 54.708 54.840 -0.036 0.000 0.914 562 L CB 0.071 42.093 42.059 -0.061 0.000 1.193 562 L HN 0.043 nan 8.230 nan 0.000 0.502 563 G N 1.563 110.354 108.800 -0.016 0.000 2.221 563 G HA2 -0.285 3.715 3.960 0.066 0.000 0.265 563 G HA3 -0.285 3.715 3.960 0.066 0.000 0.265 563 G C 0.028 174.919 174.900 -0.015 0.000 1.041 563 G CA 0.163 45.257 45.100 -0.010 0.000 0.807 563 G HN 0.317 nan 8.290 nan 0.000 0.502 564 I N -0.404 120.153 120.570 -0.022 0.000 2.525 564 I HA 0.538 4.748 4.170 0.066 0.000 0.301 564 I C 0.313 176.415 176.117 -0.025 0.000 0.992 564 I CA -0.767 60.519 61.300 -0.025 0.000 1.162 564 I CB 1.921 39.900 38.000 -0.036 0.000 1.332 564 I HN 0.175 nan 8.210 nan 0.000 0.458 565 E N 5.607 125.794 120.200 -0.022 0.000 2.199 565 E HA 0.425 4.815 4.350 0.066 0.000 0.265 565 E C -1.216 175.368 176.600 -0.027 0.000 0.882 565 E CA -0.715 55.671 56.400 -0.022 0.000 0.759 565 E CB 1.472 31.162 29.700 -0.015 0.000 1.148 565 E HN 0.469 nan 8.360 nan 0.000 0.412 566 L N 3.513 124.714 121.223 -0.036 0.000 2.456 566 L HA 0.121 4.501 4.340 0.066 0.000 0.272 566 L C 1.087 177.936 176.870 -0.035 0.000 1.189 566 L CA -0.029 54.785 54.840 -0.043 0.000 0.846 566 L CB 0.479 42.503 42.059 -0.057 0.000 1.111 566 L HN 0.703 nan 8.230 nan 0.000 0.475 567 T N -2.086 112.448 114.554 -0.034 0.000 2.788 567 T HA 0.047 4.436 4.350 0.066 0.000 0.287 567 T C 0.795 175.474 174.700 -0.035 0.000 1.007 567 T CA -0.749 61.334 62.100 -0.028 0.000 1.005 567 T CB 1.056 69.911 68.868 -0.022 0.000 1.012 567 T HN 0.501 nan 8.240 nan 0.000 0.530 568 D N 0.504 120.887 120.400 -0.028 0.000 2.123 568 D HA -0.080 4.600 4.640 0.066 0.000 0.196 568 D C 1.735 178.011 176.300 -0.040 0.000 0.992 568 D CA 1.271 55.253 54.000 -0.031 0.000 0.833 568 D CB -0.365 40.422 40.800 -0.023 0.000 0.954 568 D HN 0.617 nan 8.370 nan 0.000 0.455 569 D N 0.337 120.715 120.400 -0.037 0.000 2.104 569 D HA -0.138 4.542 4.640 0.066 0.000 0.194 569 D C 2.107 178.362 176.300 -0.075 0.000 0.994 569 D CA 0.836 54.809 54.000 -0.046 0.000 0.830 569 D CB -0.281 40.501 40.800 -0.031 0.000 0.959 569 D HN 0.329 nan 8.370 nan 0.000 0.452 570 Q N -0.250 119.505 119.800 -0.076 0.000 2.124 570 Q HA -0.043 4.337 4.340 0.066 0.000 0.202 570 Q C 2.379 178.304 176.000 -0.125 0.000 0.977 570 Q CA 0.573 56.307 55.803 -0.114 0.000 0.850 570 Q CB -0.062 28.623 28.738 -0.088 0.000 0.901 570 Q HN 0.322 nan 8.270 nan 0.000 0.429 571 L N 0.717 121.886 121.223 -0.089 0.000 2.265 571 L HA -0.145 4.235 4.340 0.066 0.000 0.215 571 L C 1.200 178.020 176.870 -0.083 0.000 1.117 571 L CA 0.519 55.311 54.840 -0.080 0.000 0.782 571 L CB -0.137 41.888 42.059 -0.056 0.000 0.914 571 L HN 0.241 nan 8.230 nan 0.000 0.441 572 N N -0.183 118.466 118.700 -0.085 0.000 2.230 572 N HA 0.217 4.997 4.740 0.066 0.000 0.202 572 N C 0.330 175.780 175.510 -0.100 0.000 1.119 572 N CA 0.065 53.069 53.050 -0.076 0.000 0.851 572 N CB 0.502 38.956 38.487 -0.054 0.000 0.990 572 N HN 0.231 nan 8.380 nan 0.000 0.497 573 I N 1.876 122.353 120.570 -0.157 0.000 2.598 573 I HA -0.057 4.153 4.170 0.066 0.000 0.284 573 I C 0.362 176.383 176.117 -0.159 0.000 1.140 573 I CA 0.383 61.554 61.300 -0.215 0.000 1.420 573 I CB 0.221 37.962 38.000 -0.432 0.000 1.387 573 I HN -0.147 nan 8.210 nan 0.000 0.553 574 T N 7.882 122.371 114.554 -0.108 0.000 2.834 574 T HA 0.179 4.569 4.350 0.066 0.000 0.298 574 T C -2.056 172.607 174.700 -0.062 0.000 0.966 574 T CA -0.936 61.127 62.100 -0.061 0.000 1.141 574 T CB 0.165 69.019 68.868 -0.024 0.000 0.905 574 T HN 0.367 nan 8.240 nan 0.000 0.535 575 P HA 0.173 nan 4.420 nan 0.000 0.267 575 P C -2.155 175.157 177.300 0.021 0.000 1.200 575 P CA -1.187 61.898 63.100 -0.025 0.000 0.772 575 P CB -0.333 31.364 31.700 -0.006 0.000 0.855 576 P HA 0.194 nan 4.420 nan 0.000 0.272 576 P C -2.540 174.815 177.300 0.090 0.000 1.240 576 P CA -1.242 61.925 63.100 0.111 0.000 0.791 576 P CB -0.793 31.021 31.700 0.191 0.000 0.978 577 P HA 0.122 nan 4.420 nan 0.000 0.272 577 P C -0.227 177.123 177.300 0.084 0.000 1.223 577 P CA 0.121 63.269 63.100 0.079 0.000 0.784 577 P CB 0.126 31.874 31.700 0.081 0.000 0.923 578 D N 0.046 120.487 120.400 0.069 0.000 2.390 578 D HA 0.011 4.691 4.640 0.066 0.000 0.236 578 D C -0.118 176.231 176.300 0.080 0.000 1.189 578 D CA 0.248 54.285 54.000 0.062 0.000 0.887 578 D CB 0.273 41.104 40.800 0.051 0.000 1.198 578 D HN -0.040 nan 8.370 nan 0.000 0.444 579 V N 2.987 122.938 119.914 0.062 0.000 2.353 579 V HA 0.050 4.210 4.120 0.066 0.000 0.264 579 V C 0.372 176.554 176.094 0.146 0.000 1.049 579 V CA -0.392 61.971 62.300 0.104 0.000 0.896 579 V CB -0.416 31.385 31.823 -0.036 0.000 1.025 579 V HN 0.615 nan 8.190 nan 0.000 0.475 580 N N 4.524 123.328 118.700 0.174 0.000 2.714 580 N HA -0.235 4.545 4.740 0.066 0.000 0.252 580 N C 1.166 176.733 175.510 0.094 0.000 1.014 580 N CA 1.039 54.173 53.050 0.140 0.000 0.735 580 N CB -0.864 37.744 38.487 0.202 0.000 0.924 580 N HN 1.256 nan 8.380 nan 0.000 0.540 581 G N -2.080 106.764 108.800 0.073 0.000 2.199 581 G HA2 -0.322 3.677 3.960 0.066 0.000 0.254 581 G HA3 -0.322 3.677 3.960 0.066 0.000 0.254 581 G C 0.120 175.048 174.900 0.046 0.000 0.982 581 G CA 0.285 45.415 45.100 0.051 0.000 0.632 581 G HN 0.382 nan 8.290 nan 0.000 0.529 582 L N 0.677 121.931 121.223 0.052 0.000 2.331 582 L HA 0.389 4.768 4.340 0.066 0.000 0.278 582 L C 1.590 178.472 176.870 0.020 0.000 1.106 582 L CA -0.534 54.326 54.840 0.034 0.000 0.824 582 L CB 0.981 43.060 42.059 0.033 0.000 1.142 582 L HN -0.051 nan 8.230 nan 0.000 0.443 583 K N 2.939 123.346 120.400 0.010 0.000 2.379 583 K HA 0.108 4.468 4.320 0.066 0.000 0.194 583 K C -0.148 176.442 176.600 -0.016 0.000 1.031 583 K CA 0.339 56.628 56.287 0.003 0.000 1.037 583 K CB 0.382 32.882 32.500 -0.001 0.000 0.824 583 K HN 0.665 nan 8.250 nan 0.000 0.516 584 K N -0.370 120.016 120.400 -0.023 0.000 2.870 584 K HA 0.188 4.547 4.320 0.066 0.000 0.290 584 K C -2.188 174.390 176.600 -0.037 0.000 1.070 584 K CA -0.853 55.403 56.287 -0.052 0.000 0.843 584 K CB 0.981 33.431 32.500 -0.084 0.000 1.475 584 K HN -0.233 nan 8.250 nan 0.000 0.359 585 D N 1.491 121.861 120.400 -0.049 0.000 2.478 585 D HA 0.332 5.012 4.640 0.066 0.000 0.240 585 D C -2.290 173.987 176.300 -0.037 0.000 1.364 585 D CA -1.970 52.020 54.000 -0.017 0.000 0.987 585 D CB 2.272 43.084 40.800 0.020 0.000 1.328 585 D HN 0.268 nan 8.370 nan 0.000 0.584 586 P HA -0.040 nan 4.420 nan 0.000 0.230 586 P C 1.206 178.489 177.300 -0.029 0.000 1.158 586 P CA 0.617 63.679 63.100 -0.062 0.000 0.769 586 P CB 0.229 31.905 31.700 -0.040 0.000 0.807 587 S N -1.001 114.716 115.700 0.029 0.000 2.507 587 S HA -0.036 4.474 4.470 0.066 0.000 0.235 587 S C 1.611 176.282 174.600 0.119 0.000 0.988 587 S CA 0.708 58.962 58.200 0.090 0.000 0.944 587 S CB -1.315 61.970 63.200 0.142 0.000 0.762 587 S HN 0.149 nan 8.310 nan 0.000 0.526 588 L N 1.301 122.551 121.223 0.045 0.000 2.554 588 L HA 0.216 4.596 4.340 0.066 0.000 0.226 588 L C 1.401 178.140 176.870 -0.217 0.000 1.137 588 L CA 0.060 54.912 54.840 0.021 0.000 0.863 588 L CB -0.216 41.831 42.059 -0.019 0.000 0.985 588 L HN 0.326 nan 8.230 nan 0.000 0.451 589 S N -0.393 115.172 115.700 -0.224 0.000 2.586 589 S HA 0.298 4.808 4.470 0.066 0.000 0.274 589 S C 1.080 175.543 174.600 -0.229 0.000 1.281 589 S CA -0.638 57.369 58.200 -0.321 0.000 1.035 589 S CB 1.349 64.367 63.200 -0.303 0.000 0.962 589 S HN 0.173 nan 8.310 nan 0.000 0.512 590 L N 3.062 124.068 121.223 -0.362 0.000 2.217 590 L HA 0.011 4.391 4.340 0.066 0.000 0.211 590 L C 0.809 177.399 176.870 -0.467 0.000 1.107 590 L CA 1.095 55.630 54.840 -0.509 0.000 0.783 590 L CB -0.275 41.164 42.059 -1.032 0.000 0.919 590 L HN 0.754 nan 8.230 nan 0.000 0.442 591 Y N -2.465 117.828 120.300 -0.012 0.000 2.425 591 Y HA 0.326 4.917 4.550 0.067 0.000 0.261 591 Y C 2.146 178.067 175.900 0.034 0.000 1.084 591 Y CA -0.232 57.912 58.100 0.075 0.000 1.248 591 Y CB -0.428 38.109 38.460 0.128 0.000 1.270 591 Y HN -0.066 nan 8.280 nan 0.000 0.524 592 A N 0.540 123.383 122.820 0.037 0.000 1.933 592 A HA -0.044 4.316 4.320 0.066 0.000 0.218 592 A C 0.933 178.549 177.584 0.053 0.000 1.175 592 A CA 1.102 53.139 52.037 -0.000 0.000 0.628 592 A CB -0.542 18.398 19.000 -0.099 0.000 0.814 592 A HN 0.162 nan 8.150 nan 0.000 0.444 593 I N 1.071 121.679 120.570 0.062 0.000 2.307 593 I HA 0.255 4.465 4.170 0.066 0.000 0.289 593 I C -2.600 173.587 176.117 0.116 0.000 1.021 593 I CA -2.336 59.009 61.300 0.076 0.000 1.224 593 I CB 0.604 38.639 38.000 0.058 0.000 1.376 593 I HN -0.003 nan 8.210 nan 0.000 0.470 594 P HA 0.045 nan 4.420 nan 0.000 0.264 594 P C -0.041 177.333 177.300 0.123 0.000 1.183 594 P CA 0.400 63.590 63.100 0.150 0.000 0.763 594 P CB 0.518 32.292 31.700 0.122 0.000 0.807 595 D N 0.695 121.177 120.400 0.136 0.000 2.755 595 D HA 0.077 4.756 4.640 0.066 0.000 0.293 595 D C 0.412 176.773 176.300 0.102 0.000 1.642 595 D CA -0.378 53.686 54.000 0.106 0.000 0.825 595 D CB -0.573 40.288 40.800 0.102 0.000 1.303 595 D HN 0.343 nan 8.370 nan 0.000 0.434 596 G N 0.261 109.130 108.800 0.116 0.000 2.491 596 G HA2 0.356 4.356 3.960 0.066 0.000 0.238 596 G HA3 0.356 4.356 3.960 0.066 0.000 0.238 596 G C -0.623 174.315 174.900 0.063 0.000 1.277 596 G CA 0.071 45.232 45.100 0.102 0.000 0.851 596 G HN 0.196 nan 8.290 nan 0.000 0.573 597 D N 0.523 120.952 120.400 0.049 0.000 2.763 597 D HA 0.161 4.840 4.640 0.066 0.000 0.235 597 D C 0.896 177.207 176.300 0.018 0.000 1.334 597 D CA -0.521 53.493 54.000 0.025 0.000 0.950 597 D CB 1.619 42.427 40.800 0.014 0.000 1.433 597 D HN 0.331 nan 8.370 nan 0.000 0.580 598 V N 1.864 121.782 119.914 0.007 0.000 3.306 598 V HA 0.217 4.377 4.120 0.066 0.000 0.264 598 V C 1.064 177.138 176.094 -0.033 0.000 1.149 598 V CA 0.233 62.532 62.300 -0.002 0.000 1.143 598 V CB -0.760 31.057 31.823 -0.009 0.000 0.767 598 V HN 0.421 nan 8.190 nan 0.000 0.476 599 K N 1.224 121.597 120.400 -0.045 0.000 2.451 599 K HA 0.388 4.748 4.320 0.066 0.000 0.280 599 K C 1.240 177.792 176.600 -0.081 0.000 1.020 599 K CA 1.079 57.315 56.287 -0.086 0.000 1.008 599 K CB 0.157 32.615 32.500 -0.071 0.000 0.917 599 K HN 0.668 nan 8.250 nan 0.000 0.478 600 G N 3.239 111.952 108.800 -0.146 0.000 2.234 600 G HA2 -0.208 3.792 3.960 0.066 0.000 0.235 600 G HA3 -0.208 3.792 3.960 0.066 0.000 0.235 600 G C 0.068 175.003 174.900 0.057 0.000 0.997 600 G CA -0.278 44.810 45.100 -0.019 0.000 0.623 600 G HN 0.568 nan 8.290 nan 0.000 0.514 601 R N -0.022 120.485 120.500 0.011 0.000 2.738 601 R HA 0.671 5.051 4.340 0.066 0.000 0.275 601 R C 0.027 176.381 176.300 0.090 0.000 1.121 601 R CA 0.007 56.147 56.100 0.067 0.000 1.207 601 R CB 0.816 31.149 30.300 0.056 0.000 1.141 601 R HN 0.694 nan 8.270 nan 0.000 0.571 602 V N 0.431 120.419 119.914 0.123 0.000 2.841 602 V HA 0.425 4.585 4.120 0.066 0.000 0.310 602 V C -1.022 175.140 176.094 0.113 0.000 1.090 602 V CA -0.758 61.630 62.300 0.148 0.000 0.930 602 V CB 2.458 34.394 31.823 0.189 0.000 1.014 602 V HN 0.362 nan 8.190 nan 0.000 0.425 603 V N 5.577 125.552 119.914 0.101 0.000 2.581 603 V HA 0.821 4.981 4.120 0.066 0.000 0.303 603 V C 0.514 176.665 176.094 0.094 0.000 1.041 603 V CA -0.136 62.213 62.300 0.082 0.000 0.907 603 V CB 1.757 33.614 31.823 0.057 0.000 0.994 603 V HN 1.172 nan 8.190 nan 0.000 0.442 604 A N 5.584 128.464 122.820 0.100 0.000 2.331 604 A HA 0.785 5.145 4.320 0.066 0.000 0.283 604 A C -0.481 177.112 177.584 0.013 0.000 1.142 604 A CA -0.316 51.764 52.037 0.071 0.000 0.812 604 A CB 0.164 19.222 19.000 0.096 0.000 1.074 604 A HN 0.758 nan 8.150 nan 0.000 0.497 605 I N 3.495 124.069 120.570 0.006 0.000 2.390 605 I HA 0.187 4.397 4.170 0.066 0.000 0.283 605 I C -0.637 175.482 176.117 0.004 0.000 1.016 605 I CA -0.198 61.106 61.300 0.007 0.000 1.151 605 I CB 1.276 39.293 38.000 0.029 0.000 1.293 605 I HN 0.490 nan 8.210 nan 0.000 0.458 606 L N 7.213 128.419 121.223 -0.028 0.000 2.342 606 L HA 0.348 4.728 4.340 0.066 0.000 0.285 606 L C 0.202 177.163 176.870 0.153 0.000 1.095 606 L CA -0.288 54.588 54.840 0.061 0.000 0.843 606 L CB -0.040 41.909 42.059 -0.183 0.000 1.201 606 L HN 0.451 nan 8.230 nan 0.000 0.445 607 L N 3.576 124.937 121.223 0.229 0.000 2.476 607 L HA 0.208 4.588 4.340 0.066 0.000 0.255 607 L C 0.234 177.293 176.870 0.315 0.000 1.218 607 L CA -0.252 54.691 54.840 0.172 0.000 0.819 607 L CB 0.497 42.563 42.059 0.012 0.000 1.119 607 L HN 0.705 nan 8.230 nan 0.000 0.485 608 N N -2.156 116.632 118.700 0.146 0.000 2.509 608 N HA 0.209 4.989 4.740 0.066 0.000 0.280 608 N C -0.304 175.189 175.510 -0.027 0.000 1.306 608 N CA -0.798 52.378 53.050 0.211 0.000 0.782 608 N CB 0.886 39.483 38.487 0.185 0.000 1.493 608 N HN 0.541 nan 8.380 nan 0.000 0.498 609 D N -1.566 118.852 120.400 0.030 0.000 2.378 609 D HA -0.091 4.589 4.640 0.066 0.000 0.227 609 D C -0.317 175.947 176.300 -0.060 0.000 1.012 609 D CA 0.825 54.770 54.000 -0.090 0.000 0.905 609 D CB -0.045 40.773 40.800 0.031 0.000 0.895 609 D HN 0.748 nan 8.370 nan 0.000 0.532 610 E N 0.268 120.451 120.200 -0.027 0.000 3.352 610 E HA 0.248 4.637 4.350 0.066 0.000 0.254 610 E C -1.304 175.284 176.600 -0.021 0.000 1.229 610 E CA -0.472 55.912 56.400 -0.027 0.000 0.949 610 E CB 0.673 30.366 29.700 -0.011 0.000 1.373 610 E HN -0.107 nan 8.360 nan 0.000 0.392 611 V N 2.392 122.285 119.914 -0.036 0.000 2.763 611 V HA 0.076 4.236 4.120 0.066 0.000 0.306 611 V C 0.896 176.974 176.094 -0.026 0.000 1.059 611 V CA 0.126 62.411 62.300 -0.025 0.000 1.138 611 V CB 0.926 32.729 31.823 -0.034 0.000 0.940 611 V HN 0.528 nan 8.190 nan 0.000 0.489 612 R N 3.113 123.598 120.500 -0.024 0.000 2.357 612 R HA 0.050 4.429 4.340 0.066 0.000 0.330 612 R C 1.565 177.843 176.300 -0.037 0.000 1.102 612 R CA 0.481 56.562 56.100 -0.032 0.000 0.974 612 R CB 0.352 30.628 30.300 -0.040 0.000 1.002 612 R HN 1.007 nan 8.270 nan 0.000 0.463 613 S N 3.144 118.824 115.700 -0.033 0.000 2.419 613 S HA -0.191 4.319 4.470 0.066 0.000 0.233 613 S C 1.911 176.491 174.600 -0.034 0.000 1.016 613 S CA 0.900 59.081 58.200 -0.031 0.000 0.974 613 S CB -0.000 63.184 63.200 -0.027 0.000 0.786 613 S HN 0.673 nan 8.310 nan 0.000 0.492 614 A N 2.141 124.938 122.820 -0.039 0.000 1.930 614 A HA -0.081 4.279 4.320 0.066 0.000 0.217 614 A C 1.984 179.532 177.584 -0.059 0.000 1.175 614 A CA 1.579 53.590 52.037 -0.043 0.000 0.627 614 A CB -0.754 18.220 19.000 -0.044 0.000 0.815 614 A HN 0.479 nan 8.150 nan 0.000 0.443 615 D N -0.460 119.895 120.400 -0.075 0.000 2.097 615 D HA -0.109 4.571 4.640 0.066 0.000 0.197 615 D C 1.843 178.101 176.300 -0.070 0.000 0.984 615 D CA 1.096 55.030 54.000 -0.109 0.000 0.826 615 D CB -0.405 40.317 40.800 -0.131 0.000 0.973 615 D HN 0.298 nan 8.370 nan 0.000 0.460 616 L N 0.460 121.657 121.223 -0.044 0.000 2.083 616 L HA -0.114 4.266 4.340 0.066 0.000 0.209 616 L C 2.110 178.972 176.870 -0.014 0.000 1.083 616 L CA 1.119 55.946 54.840 -0.021 0.000 0.752 616 L CB -0.581 41.467 42.059 -0.018 0.000 0.899 616 L HN -0.017 nan 8.230 nan 0.000 0.433 617 L N -0.452 120.759 121.223 -0.020 0.000 2.012 617 L HA -0.177 4.202 4.340 0.066 0.000 0.210 617 L C 2.549 179.414 176.870 -0.008 0.000 1.073 617 L CA 2.184 57.016 54.840 -0.013 0.000 0.748 617 L CB -1.081 40.968 42.059 -0.017 0.000 0.891 617 L HN 0.329 nan 8.230 nan 0.000 0.431 618 A N -1.110 121.700 122.820 -0.017 0.000 1.968 618 A HA -0.100 4.260 4.320 0.066 0.000 0.217 618 A C 2.249 179.844 177.584 0.019 0.000 1.169 618 A CA 1.445 53.478 52.037 -0.006 0.000 0.638 618 A CB -0.654 18.330 19.000 -0.027 0.000 0.812 618 A HN 0.425 nan 8.150 nan 0.000 0.446 619 I N -0.183 120.399 120.570 0.020 0.000 2.142 619 I HA -0.262 3.948 4.170 0.066 0.000 0.240 619 I C 2.309 178.453 176.117 0.045 0.000 1.078 619 I CA 1.288 62.624 61.300 0.059 0.000 1.343 619 I CB -0.365 37.672 38.000 0.062 0.000 1.046 619 I HN 0.268 nan 8.210 nan 0.000 0.405 620 L N 0.462 121.702 121.223 0.029 0.000 2.141 620 L HA -0.199 4.181 4.340 0.066 0.000 0.209 620 L C 2.581 179.463 176.870 0.020 0.000 1.094 620 L CA 1.213 56.068 54.840 0.026 0.000 0.763 620 L CB -0.640 41.431 42.059 0.021 0.000 0.908 620 L HN 0.242 nan 8.230 nan 0.000 0.437 621 K N 0.827 121.237 120.400 0.016 0.000 2.026 621 K HA -0.193 4.167 4.320 0.066 0.000 0.208 621 K C 2.192 178.800 176.600 0.014 0.000 1.048 621 K CA 1.538 57.833 56.287 0.013 0.000 0.929 621 K CB -0.137 32.369 32.500 0.010 0.000 0.713 621 K HN 0.230 nan 8.250 nan 0.000 0.439 622 A N 1.198 124.031 122.820 0.023 0.000 1.902 622 A HA -0.103 4.257 4.320 0.066 0.000 0.217 622 A C 2.159 179.750 177.584 0.011 0.000 1.181 622 A CA 1.383 53.434 52.037 0.024 0.000 0.623 622 A CB -0.674 18.353 19.000 0.045 0.000 0.818 622 A HN 0.341 nan 8.150 nan 0.000 0.443 623 L N -0.468 120.764 121.223 0.014 0.000 2.042 623 L HA -0.225 4.155 4.340 0.066 0.000 0.210 623 L C 2.693 179.547 176.870 -0.026 0.000 1.076 623 L CA 2.022 56.860 54.840 -0.004 0.000 0.749 623 L CB -0.487 41.578 42.059 0.010 0.000 0.893 623 L HN 0.489 nan 8.230 nan 0.000 0.432 624 K N 0.644 121.038 120.400 -0.011 0.000 2.057 624 K HA -0.188 4.172 4.320 0.066 0.000 0.207 624 K C 2.082 178.667 176.600 -0.025 0.000 1.049 624 K CA 1.381 57.658 56.287 -0.017 0.000 0.931 624 K CB -0.077 32.424 32.500 0.002 0.000 0.714 624 K HN 0.264 nan 8.250 nan 0.000 0.440 625 A N 1.243 124.054 122.820 -0.015 0.000 2.024 625 A HA -0.110 4.250 4.320 0.066 0.000 0.220 625 A C 1.568 179.137 177.584 -0.025 0.000 1.164 625 A CA 1.333 53.361 52.037 -0.015 0.000 0.643 625 A CB -0.087 18.910 19.000 -0.005 0.000 0.806 625 A HN 0.204 nan 8.150 nan 0.000 0.451 626 K N -1.422 118.957 120.400 -0.036 0.000 2.373 626 K HA 0.217 4.577 4.320 0.066 0.000 0.202 626 K C 0.834 177.384 176.600 -0.082 0.000 1.025 626 K CA 0.556 56.815 56.287 -0.046 0.000 1.115 626 K CB 0.173 32.651 32.500 -0.035 0.000 0.858 626 K HN 0.651 nan 8.250 nan 0.000 0.525 627 G N 1.861 110.595 108.800 -0.109 0.000 2.249 627 G HA2 -0.234 3.766 3.960 0.066 0.000 0.273 627 G HA3 -0.234 3.766 3.960 0.066 0.000 0.273 627 G C 0.054 174.751 174.900 -0.338 0.000 1.036 627 G CA 0.221 45.206 45.100 -0.191 0.000 0.824 627 G HN 0.113 nan 8.290 nan 0.000 0.504 628 V N 2.212 121.977 119.914 -0.248 0.000 2.439 628 V HA 0.434 4.594 4.120 0.066 0.000 0.282 628 V C 0.723 176.675 176.094 -0.236 0.000 1.039 628 V CA -1.134 61.020 62.300 -0.242 0.000 0.913 628 V CB 1.205 32.974 31.823 -0.090 0.000 0.983 628 V HN 0.381 nan 8.190 nan 0.000 0.460 629 H N 2.487 121.569 119.070 0.021 0.000 2.508 629 H HA 0.763 5.359 4.556 0.066 0.000 0.358 629 H C 0.136 175.485 175.328 0.034 0.000 1.212 629 H CA -0.186 55.877 56.048 0.025 0.000 1.356 629 H CB 1.812 31.591 29.762 0.027 0.000 1.525 629 H HN 0.765 nan 8.280 nan 0.000 0.578 630 A N 1.402 124.329 122.820 0.177 0.000 2.401 630 A HA 0.538 4.897 4.320 0.066 0.000 0.310 630 A C -0.654 176.986 177.584 0.094 0.000 1.075 630 A CA -0.923 51.180 52.037 0.109 0.000 0.746 630 A CB 1.306 20.352 19.000 0.076 0.000 1.277 630 A HN 0.742 nan 8.150 nan 0.000 0.425 631 K N 2.361 122.810 120.400 0.082 0.000 2.376 631 K HA 0.688 5.048 4.320 0.066 0.000 0.257 631 K C -1.569 175.060 176.600 0.048 0.000 0.939 631 K CA -0.514 55.813 56.287 0.067 0.000 0.809 631 K CB 1.465 34.015 32.500 0.083 0.000 1.121 631 K HN 0.512 nan 8.250 nan 0.000 0.425 632 L N 5.115 126.357 121.223 0.032 0.000 2.260 632 L HA 0.378 4.758 4.340 0.066 0.000 0.289 632 L C -0.426 176.451 176.870 0.012 0.000 1.057 632 L CA -0.786 54.066 54.840 0.020 0.000 0.811 632 L CB 0.358 42.419 42.059 0.004 0.000 1.184 632 L HN 0.527 nan 8.230 nan 0.000 0.429 633 L N 3.626 124.862 121.223 0.022 0.000 2.330 633 L HA 0.596 4.976 4.340 0.066 0.000 0.271 633 L C -0.823 176.006 176.870 -0.067 0.000 1.013 633 L CA -0.736 54.087 54.840 -0.028 0.000 0.816 633 L CB 1.952 44.018 42.059 0.012 0.000 1.287 633 L HN 0.411 nan 8.230 nan 0.000 0.435 634 Y N -0.571 119.351 120.300 -0.630 0.000 2.840 634 Y HA 0.187 4.777 4.550 0.066 0.000 0.324 634 Y C 0.749 175.863 175.900 -1.311 0.000 1.378 634 Y CA -0.837 56.782 58.100 -0.801 0.000 1.077 634 Y CB 1.589 39.869 38.460 -0.300 0.000 1.361 634 Y HN 0.544 nan 8.280 nan 0.000 0.459 635 S N 0.604 115.409 115.700 -1.492 0.000 2.593 635 S HA 0.257 4.767 4.470 0.066 0.000 0.217 635 S C 0.044 174.358 174.600 -0.476 0.000 0.966 635 S CA 0.256 57.937 58.200 -0.864 0.000 0.914 635 S CB -0.195 62.656 63.200 -0.583 0.000 0.776 635 S HN 0.602 nan 8.310 nan 0.000 0.523 636 R N -1.131 119.164 120.500 -0.343 0.000 2.795 636 R HA 0.655 5.034 4.340 0.066 0.000 0.268 636 R C -0.813 175.479 176.300 -0.013 0.000 1.041 636 R CA -1.119 54.917 56.100 -0.106 0.000 0.927 636 R CB 0.535 30.819 30.300 -0.027 0.000 1.235 636 R HN -0.075 nan 8.270 nan 0.000 0.463 637 M N -0.015 119.581 119.600 -0.006 0.000 2.336 637 M HA 0.555 5.074 4.480 0.066 0.000 0.256 637 M C 0.932 177.246 176.300 0.025 0.000 1.176 637 M CA 0.671 55.974 55.300 0.005 0.000 0.948 637 M CB 0.602 33.197 32.600 -0.008 0.000 1.393 637 M HN 1.053 nan 8.290 nan 0.000 0.528 638 G N 0.852 109.657 108.800 0.009 0.000 2.601 638 G HA2 -0.126 3.874 3.960 0.066 0.000 0.224 638 G HA3 -0.126 3.874 3.960 0.066 0.000 0.224 638 G C -0.922 173.971 174.900 -0.013 0.000 1.171 638 G CA -0.508 44.594 45.100 0.003 0.000 1.009 638 G HN 0.629 nan 8.290 nan 0.000 0.589 639 E N -0.861 119.324 120.200 -0.025 0.000 2.369 639 E HA 0.618 5.008 4.350 0.066 0.000 0.270 639 E C -0.379 176.156 176.600 -0.108 0.000 0.909 639 E CA -0.546 55.819 56.400 -0.059 0.000 0.775 639 E CB 2.941 32.614 29.700 -0.044 0.000 1.270 639 E HN 1.221 nan 8.360 nan 0.000 0.445 640 V N -1.676 118.139 119.914 -0.165 0.000 3.001 640 V HA 0.714 4.874 4.120 0.066 0.000 0.314 640 V C -0.460 175.552 176.094 -0.136 0.000 1.099 640 V CA -0.683 61.489 62.300 -0.212 0.000 0.989 640 V CB 1.941 33.513 31.823 -0.418 0.000 1.040 640 V HN 0.624 nan 8.190 nan 0.000 0.434 641 T N 2.596 117.085 114.554 -0.108 0.000 2.794 641 T HA 0.785 5.175 4.350 0.066 0.000 0.280 641 T C 0.359 175.017 174.700 -0.069 0.000 0.987 641 T CA 0.282 62.338 62.100 -0.072 0.000 0.993 641 T CB 1.428 70.266 68.868 -0.050 0.000 0.939 641 T HN 1.350 nan 8.240 nan 0.000 0.449 642 A N 2.185 124.971 122.820 -0.058 0.000 2.267 642 A HA 0.362 4.722 4.320 0.066 0.000 0.271 642 A C 1.568 179.131 177.584 -0.036 0.000 1.131 642 A CA -0.283 51.725 52.037 -0.048 0.000 0.818 642 A CB -0.004 18.971 19.000 -0.042 0.000 1.118 642 A HN 0.904 nan 8.150 nan 0.000 0.501 643 D N -0.388 119.994 120.400 -0.030 0.000 2.265 643 D HA -0.182 4.497 4.640 0.066 0.000 0.208 643 D C 0.548 176.834 176.300 -0.022 0.000 0.977 643 D CA 1.557 55.543 54.000 -0.024 0.000 0.871 643 D CB -0.240 40.547 40.800 -0.022 0.000 0.925 643 D HN 0.576 nan 8.370 nan 0.000 0.485 644 D N -1.582 118.804 120.400 -0.023 0.000 2.368 644 D HA 0.215 4.895 4.640 0.066 0.000 0.218 644 D C 1.583 177.871 176.300 -0.019 0.000 1.112 644 D CA 0.279 54.267 54.000 -0.020 0.000 0.834 644 D CB -0.049 40.740 40.800 -0.019 0.000 0.953 644 D HN 0.336 nan 8.370 nan 0.000 0.505 645 G N 0.007 108.794 108.800 -0.022 0.000 2.199 645 G HA2 -0.271 3.729 3.960 0.066 0.000 0.254 645 G HA3 -0.271 3.729 3.960 0.066 0.000 0.254 645 G C 0.441 175.327 174.900 -0.024 0.000 0.982 645 G CA 0.260 45.347 45.100 -0.022 0.000 0.632 645 G HN 0.428 nan 8.290 nan 0.000 0.529 646 T N 1.521 116.060 114.554 -0.025 0.000 2.867 646 T HA 0.402 4.792 4.350 0.066 0.000 0.297 646 T C 0.682 175.362 174.700 -0.033 0.000 0.989 646 T CA 0.140 62.224 62.100 -0.026 0.000 1.159 646 T CB 1.882 70.736 68.868 -0.025 0.000 0.928 646 T HN 0.409 nan 8.240 nan 0.000 0.538 647 V N 6.168 126.064 119.914 -0.030 0.000 2.461 647 V HA 0.281 4.441 4.120 0.066 0.000 0.275 647 V C 0.238 176.308 176.094 -0.040 0.000 1.047 647 V CA -0.426 61.852 62.300 -0.037 0.000 0.955 647 V CB 0.655 32.461 31.823 -0.029 0.000 0.988 647 V HN 0.676 nan 8.190 nan 0.000 0.471 648 L N 8.441 129.630 121.223 -0.057 0.000 2.294 648 L HA 0.465 4.845 4.340 0.066 0.000 0.283 648 L C -2.343 174.492 176.870 -0.057 0.000 1.015 648 L CA -1.761 53.045 54.840 -0.056 0.000 0.831 648 L CB 1.926 43.941 42.059 -0.073 0.000 1.217 648 L HN 0.441 nan 8.230 nan 0.000 0.420 649 P HA 0.268 nan 4.420 nan 0.000 0.278 649 P C -0.577 176.706 177.300 -0.029 0.000 1.238 649 P CA -0.169 62.914 63.100 -0.030 0.000 0.794 649 P CB 1.195 32.886 31.700 -0.016 0.000 0.955 650 I N 1.620 122.175 120.570 -0.025 0.000 2.336 650 I HA 0.264 4.473 4.170 0.066 0.000 0.292 650 I C 1.504 177.615 176.117 -0.009 0.000 0.991 650 I CA -0.488 60.801 61.300 -0.019 0.000 1.227 650 I CB 1.539 39.534 38.000 -0.008 0.000 1.366 650 I HN 0.357 nan 8.210 nan 0.000 0.466 651 A N 5.230 128.048 122.820 -0.004 0.000 1.929 651 A HA 0.529 4.889 4.320 0.066 0.000 0.216 651 A C 0.978 178.565 177.584 0.004 0.000 1.176 651 A CA 1.308 53.349 52.037 0.006 0.000 0.628 651 A CB -0.008 19.004 19.000 0.020 0.000 0.816 651 A HN 0.838 nan 8.150 nan 0.000 0.444 652 A N -2.236 120.579 122.820 -0.009 0.000 2.567 652 A HA 0.550 4.910 4.320 0.066 0.000 0.291 652 A C -0.061 177.479 177.584 -0.074 0.000 1.048 652 A CA 0.047 52.076 52.037 -0.014 0.000 0.661 652 A CB -0.334 18.682 19.000 0.028 0.000 1.288 652 A HN 0.816 nan 8.150 nan 0.000 0.424 653 T N -1.393 113.109 114.554 -0.087 0.000 2.816 653 T HA 0.559 4.949 4.350 0.066 0.000 0.282 653 T C 1.006 175.646 174.700 -0.101 0.000 0.993 653 T CA 0.150 62.124 62.100 -0.210 0.000 0.994 653 T CB 0.049 68.825 68.868 -0.153 0.000 1.025 653 T HN 0.512 nan 8.240 nan 0.000 0.529 654 F N 0.596 120.572 119.950 0.043 0.000 2.120 654 F HA -0.044 4.523 4.527 0.066 0.000 0.300 654 F C 2.966 178.900 175.800 0.222 0.000 1.095 654 F CA 1.121 59.200 58.000 0.132 0.000 1.249 654 F CB -0.731 38.327 39.000 0.096 0.000 0.995 654 F HN 0.705 nan 8.300 nan 0.000 0.480 655 A N 0.188 123.167 122.820 0.266 0.000 1.968 655 A HA 0.043 4.403 4.320 0.066 0.000 0.217 655 A C 2.408 180.060 177.584 0.113 0.000 1.169 655 A CA 1.457 53.593 52.037 0.165 0.000 0.638 655 A CB -1.351 17.703 19.000 0.091 0.000 0.812 655 A HN 0.396 nan 8.150 nan 0.000 0.446 656 G N -1.233 107.622 108.800 0.090 0.000 2.551 656 G HA2 0.340 4.340 3.960 0.066 0.000 0.216 656 G HA3 0.340 4.340 3.960 0.066 0.000 0.216 656 G C 0.583 175.532 174.900 0.082 0.000 1.137 656 G CA 0.856 45.991 45.100 0.059 0.000 0.798 656 G HN 0.986 nan 8.290 nan 0.000 0.536 657 A N 1.031 123.937 122.820 0.144 0.000 3.030 657 A HA 0.707 5.067 4.320 0.066 0.000 0.335 657 A C -2.659 175.077 177.584 0.253 0.000 1.089 657 A CA -1.167 50.970 52.037 0.167 0.000 0.807 657 A CB 1.346 20.445 19.000 0.165 0.000 1.099 657 A HN 0.081 nan 8.150 nan 0.000 0.474 658 P HA 0.089 nan 4.420 nan 0.000 0.273 658 P C 1.316 178.422 177.300 -0.324 0.000 1.250 658 P CA 0.116 63.141 63.100 -0.125 0.000 0.793 658 P CB 0.721 32.343 31.700 -0.130 0.000 1.011 659 S N -0.103 115.046 115.700 -0.919 0.000 2.469 659 S HA -0.112 4.398 4.470 0.066 0.000 0.238 659 S C 1.809 176.258 174.600 -0.251 0.000 0.998 659 S CA 0.810 58.632 58.200 -0.630 0.000 0.957 659 S CB -1.328 61.436 63.200 -0.727 0.000 0.764 659 S HN 0.312 nan 8.310 nan 0.000 0.514 660 L N 1.870 122.947 121.223 -0.244 0.000 2.129 660 L HA -0.108 4.272 4.340 0.066 0.000 0.212 660 L C 2.922 179.608 176.870 -0.307 0.000 1.087 660 L CA 1.698 56.392 54.840 -0.244 0.000 0.757 660 L CB -1.421 40.468 42.059 -0.284 0.000 0.896 660 L HN 0.633 nan 8.230 nan 0.000 0.434 661 T N -3.134 111.302 114.554 -0.197 0.000 3.129 661 T HA 0.238 4.628 4.350 0.066 0.000 0.251 661 T C 0.304 175.083 174.700 0.133 0.000 1.117 661 T CA 0.140 62.187 62.100 -0.087 0.000 1.034 661 T CB -0.426 68.496 68.868 0.090 0.000 0.968 661 T HN 0.165 nan 8.240 nan 0.000 0.526 662 V N -3.073 116.886 119.914 0.074 0.000 3.141 662 V HA 0.585 4.744 4.120 0.066 0.000 0.312 662 V C -0.283 175.857 176.094 0.077 0.000 1.157 662 V CA -0.977 61.399 62.300 0.127 0.000 1.041 662 V CB 2.110 34.025 31.823 0.155 0.000 1.071 662 V HN -0.018 nan 8.190 nan 0.000 0.441 663 D N 0.819 121.267 120.400 0.079 0.000 2.366 663 D HA 0.530 5.210 4.640 0.066 0.000 0.205 663 D C 0.536 176.821 176.300 -0.025 0.000 1.022 663 D CA 1.477 55.497 54.000 0.033 0.000 0.868 663 D CB 1.532 42.373 40.800 0.069 0.000 0.953 663 D HN 1.041 nan 8.370 nan 0.000 0.514 664 A N 0.066 122.888 122.820 0.004 0.000 2.583 664 A HA 0.500 4.860 4.320 0.066 0.000 0.292 664 A C -1.641 175.960 177.584 0.028 0.000 1.045 664 A CA -0.572 51.454 52.037 -0.018 0.000 0.672 664 A CB 1.287 20.261 19.000 -0.044 0.000 1.283 664 A HN -0.111 nan 8.150 nan 0.000 0.419 665 V N 1.364 121.286 119.914 0.014 0.000 2.588 665 V HA 0.608 4.768 4.120 0.066 0.000 0.304 665 V C -0.613 175.480 176.094 -0.000 0.000 1.042 665 V CA -0.251 62.067 62.300 0.029 0.000 0.877 665 V CB 1.586 33.441 31.823 0.054 0.000 0.996 665 V HN 0.710 nan 8.190 nan 0.000 0.425 666 I N 4.096 124.673 120.570 0.011 0.000 2.509 666 I HA 0.566 4.776 4.170 0.066 0.000 0.293 666 I C -0.880 175.254 176.117 0.028 0.000 1.020 666 I CA -0.958 60.376 61.300 0.057 0.000 1.088 666 I CB 2.348 40.416 38.000 0.112 0.000 1.267 666 I HN 0.287 nan 8.210 nan 0.000 0.430 667 V N 7.278 127.225 119.914 0.055 0.000 2.326 667 V HA 0.350 4.510 4.120 0.066 0.000 0.281 667 V C -2.146 173.994 176.094 0.076 0.000 1.015 667 V CA -1.598 60.715 62.300 0.022 0.000 0.823 667 V CB 1.180 32.971 31.823 -0.054 0.000 1.009 667 V HN 0.555 nan 8.190 nan 0.000 0.436 668 P HA 0.362 nan 4.420 nan 0.000 0.274 668 P C -0.098 177.213 177.300 0.019 0.000 1.246 668 P CA -0.123 62.982 63.100 0.008 0.000 0.795 668 P CB 1.164 32.861 31.700 -0.005 0.000 1.006 669 A N 0.389 123.197 122.820 -0.021 0.000 2.292 669 A HA 0.639 4.999 4.320 0.066 0.000 0.265 669 A C 0.853 178.440 177.584 0.005 0.000 1.133 669 A CA 0.728 52.762 52.037 -0.005 0.000 0.807 669 A CB -0.933 18.044 19.000 -0.038 0.000 1.102 669 A HN 0.875 nan 8.150 nan 0.000 0.502 670 G N -0.560 108.244 108.800 0.007 0.000 2.225 670 G HA2 -0.006 3.994 3.960 0.066 0.000 0.203 670 G HA3 -0.006 3.994 3.960 0.066 0.000 0.203 670 G C -0.319 174.592 174.900 0.018 0.000 1.335 670 G CA 0.035 45.139 45.100 0.007 0.000 1.183 670 G HN 1.142 nan 8.290 nan 0.000 0.488 671 N N 1.987 120.703 118.700 0.027 0.000 3.103 671 N HA 0.184 4.964 4.740 0.066 0.000 0.305 671 N C 1.880 177.426 175.510 0.060 0.000 1.232 671 N CA -0.254 52.817 53.050 0.036 0.000 1.190 671 N CB -0.386 38.123 38.487 0.038 0.000 1.461 671 N HN 0.413 nan 8.380 nan 0.000 0.538 672 I N 0.694 121.291 120.570 0.046 0.000 2.248 672 I HA -0.286 3.924 4.170 0.066 0.000 0.248 672 I C 2.123 178.251 176.117 0.018 0.000 1.107 672 I CA 0.895 62.224 61.300 0.049 0.000 1.373 672 I CB -1.582 36.420 38.000 0.004 0.000 1.055 672 I HN 0.442 nan 8.210 nan 0.000 0.418 673 A N 0.635 123.454 122.820 -0.002 0.000 1.997 673 A HA -0.320 4.040 4.320 0.066 0.000 0.221 673 A C 2.099 179.701 177.584 0.031 0.000 1.172 673 A CA 2.312 54.344 52.037 -0.008 0.000 0.645 673 A CB -0.869 18.128 19.000 -0.006 0.000 0.813 673 A HN 0.462 nan 8.150 nan 0.000 0.454 674 D N 0.212 120.656 120.400 0.073 0.000 2.133 674 D HA -0.172 4.508 4.640 0.066 0.000 0.195 674 D C 1.601 177.982 176.300 0.136 0.000 0.997 674 D CA 1.906 55.978 54.000 0.120 0.000 0.840 674 D CB -0.222 40.688 40.800 0.184 0.000 0.947 674 D HN 0.673 nan 8.370 nan 0.000 0.452 675 I N -3.864 116.804 120.570 0.162 0.000 4.139 675 I HA 0.463 4.673 4.170 0.066 0.000 0.335 675 I C 1.881 178.099 176.117 0.169 0.000 1.327 675 I CA 0.011 61.424 61.300 0.187 0.000 1.112 675 I CB 0.128 38.284 38.000 0.260 0.000 1.058 675 I HN -0.080 nan 8.210 nan 0.000 0.396 676 A N 1.706 124.542 122.820 0.027 0.000 1.978 676 A HA -0.166 4.194 4.320 0.066 0.000 0.220 676 A C 1.532 179.067 177.584 -0.083 0.000 1.170 676 A CA 2.001 53.923 52.037 -0.193 0.000 0.636 676 A CB -0.469 18.360 19.000 -0.285 0.000 0.810 676 A HN 0.529 nan 8.150 nan 0.000 0.448 677 D N -0.519 119.872 120.400 -0.015 0.000 2.424 677 D HA 0.033 4.713 4.640 0.066 0.000 0.220 677 D C -0.061 176.259 176.300 0.035 0.000 1.150 677 D CA -0.182 53.819 54.000 0.002 0.000 0.831 677 D CB -0.221 40.574 40.800 -0.007 0.000 0.981 677 D HN 0.351 nan 8.370 nan 0.000 0.500 678 N N 1.102 119.838 118.700 0.061 0.000 2.411 678 N HA 0.041 4.821 4.740 0.066 0.000 0.259 678 N C 1.341 176.885 175.510 0.057 0.000 1.103 678 N CA -0.011 53.076 53.050 0.062 0.000 0.954 678 N CB 1.534 40.070 38.487 0.081 0.000 1.085 678 N HN -0.000 nan 8.380 nan 0.000 0.485 679 G N 3.384 112.217 108.800 0.056 0.000 2.440 679 G HA2 -0.262 3.738 3.960 0.066 0.000 0.218 679 G HA3 -0.262 3.738 3.960 0.066 0.000 0.218 679 G C 0.966 175.917 174.900 0.085 0.000 1.154 679 G CA 0.572 45.707 45.100 0.060 0.000 0.767 679 G HN 0.602 nan 8.290 nan 0.000 0.552 680 D N 0.994 121.452 120.400 0.097 0.000 2.123 680 D HA -0.042 4.638 4.640 0.066 0.000 0.196 680 D C 2.799 179.118 176.300 0.033 0.000 0.992 680 D CA 1.293 55.385 54.000 0.153 0.000 0.833 680 D CB -0.474 40.488 40.800 0.270 0.000 0.954 680 D HN 0.317 nan 8.370 nan 0.000 0.455 681 A N 0.836 123.501 122.820 -0.258 0.000 1.930 681 A HA -0.161 4.199 4.320 0.066 0.000 0.217 681 A C 2.023 179.433 177.584 -0.290 0.000 1.175 681 A CA 1.139 52.780 52.037 -0.659 0.000 0.627 681 A CB -0.387 18.093 19.000 -0.868 0.000 0.815 681 A HN 0.148 nan 8.150 nan 0.000 0.443 682 N N -1.576 117.099 118.700 -0.042 0.000 2.142 682 N HA -0.158 4.622 4.740 0.066 0.000 0.186 682 N C 1.694 177.216 175.510 0.020 0.000 1.023 682 N CA 1.638 54.718 53.050 0.050 0.000 0.852 682 N CB -0.388 38.181 38.487 0.137 0.000 0.998 682 N HN 0.672 nan 8.380 nan 0.000 0.424 683 Y N 0.707 120.984 120.300 -0.038 0.000 2.224 683 Y HA -0.276 4.314 4.550 0.066 0.000 0.289 683 Y C 2.371 178.234 175.900 -0.062 0.000 1.146 683 Y CA 1.304 59.377 58.100 -0.046 0.000 1.182 683 Y CB -0.409 38.029 38.460 -0.036 0.000 0.983 683 Y HN 0.021 nan 8.280 nan 0.000 0.524 684 Y N 0.509 120.725 120.300 -0.141 0.000 2.102 684 Y HA -0.371 4.219 4.550 0.067 0.000 0.280 684 Y C 2.107 177.827 175.900 -0.300 0.000 1.178 684 Y CA 2.344 60.318 58.100 -0.210 0.000 1.146 684 Y CB -0.574 37.756 38.460 -0.217 0.000 0.968 684 Y HN 0.139 nan 8.280 nan 0.000 0.504 685 L N -1.241 119.929 121.223 -0.089 0.000 2.093 685 L HA -0.249 4.131 4.340 0.066 0.000 0.208 685 L C 2.452 179.204 176.870 -0.197 0.000 1.085 685 L CA 1.324 56.080 54.840 -0.141 0.000 0.755 685 L CB -0.531 41.409 42.059 -0.198 0.000 0.904 685 L HN 0.279 nan 8.230 nan 0.000 0.435 686 M N -0.532 118.888 119.600 -0.300 0.000 2.159 686 M HA -0.218 4.302 4.480 0.066 0.000 0.263 686 M C 2.287 178.311 176.300 -0.459 0.000 1.063 686 M CA 1.693 56.792 55.300 -0.335 0.000 1.110 686 M CB -0.279 32.111 32.600 -0.349 0.000 1.374 686 M HN 0.236 nan 8.290 nan 0.000 0.411 687 E N 0.417 120.165 120.200 -0.753 0.000 2.046 687 E HA -0.158 4.232 4.350 0.066 0.000 0.190 687 E C 1.987 178.216 176.600 -0.618 0.000 0.982 687 E CA 1.159 57.083 56.400 -0.793 0.000 0.800 687 E CB 0.029 29.239 29.700 -0.818 0.000 0.756 687 E HN 0.455 nan 8.360 nan 0.000 0.449 688 A N 0.453 123.038 122.820 -0.391 0.000 1.908 688 A HA -0.220 4.139 4.320 0.066 0.000 0.218 688 A C 2.054 179.538 177.584 -0.167 0.000 1.181 688 A CA 1.550 53.454 52.037 -0.223 0.000 0.627 688 A CB -0.999 17.930 19.000 -0.119 0.000 0.818 688 A HN 0.558 nan 8.150 nan 0.000 0.445 689 Y N 0.533 120.676 120.300 -0.262 0.000 2.097 689 Y HA -0.247 4.343 4.550 0.067 0.000 0.282 689 Y C 2.434 178.209 175.900 -0.208 0.000 1.152 689 Y CA 2.431 60.406 58.100 -0.210 0.000 1.136 689 Y CB -0.272 38.078 38.460 -0.183 0.000 0.975 689 Y HN 0.319 nan 8.280 nan 0.000 0.498 690 K N -0.618 119.666 120.400 -0.194 0.000 2.074 690 K HA -0.244 4.116 4.320 0.066 0.000 0.209 690 K C 1.278 177.775 176.600 -0.172 0.000 1.048 690 K CA 2.146 58.297 56.287 -0.226 0.000 0.926 690 K CB -0.458 31.845 32.500 -0.328 0.000 0.713 690 K HN 0.605 nan 8.250 nan 0.000 0.444 691 H N 0.167 119.114 119.070 -0.204 0.000 2.536 691 H HA 0.163 4.759 4.556 0.067 0.000 0.276 691 H C 0.079 175.240 175.328 -0.280 0.000 1.019 691 H CA 0.273 56.195 56.048 -0.210 0.000 1.159 691 H CB 0.122 29.761 29.762 -0.205 0.000 1.373 691 H HN 0.137 nan 8.280 nan 0.000 0.584 692 L N -0.356 120.712 121.223 -0.259 0.000 4.406 692 L HA -0.253 4.127 4.340 0.066 0.000 0.406 692 L C -0.342 176.260 176.870 -0.447 0.000 1.133 692 L CA 0.502 55.096 54.840 -0.411 0.000 0.974 692 L CB -1.767 40.026 42.059 -0.444 0.000 2.152 692 L HN 0.275 nan 8.230 nan 0.000 0.736 693 K N 0.816 121.023 120.400 -0.322 0.000 2.144 693 K HA 0.490 4.850 4.320 0.066 0.000 0.270 693 K C -2.165 174.296 176.600 -0.232 0.000 1.005 693 K CA -1.759 54.360 56.287 -0.280 0.000 0.932 693 K CB 0.698 33.089 32.500 -0.181 0.000 1.021 693 K HN -0.225 nan 8.250 nan 0.000 0.462 694 P HA 0.051 nan 4.420 nan 0.000 0.266 694 P C -0.809 176.423 177.300 -0.113 0.000 1.195 694 P CA 0.397 63.393 63.100 -0.172 0.000 0.768 694 P CB 0.461 32.060 31.700 -0.168 0.000 0.838 695 I N 1.657 122.172 120.570 -0.092 0.000 2.582 695 I HA 0.628 4.838 4.170 0.066 0.000 0.292 695 I C -0.428 175.633 176.117 -0.093 0.000 1.066 695 I CA -0.857 60.406 61.300 -0.061 0.000 1.053 695 I CB 2.291 40.282 38.000 -0.015 0.000 1.241 695 I HN 0.256 nan 8.210 nan 0.000 0.421 696 A N 7.340 130.111 122.820 -0.081 0.000 2.343 696 A HA 0.922 5.282 4.320 0.066 0.000 0.316 696 A C -1.177 176.496 177.584 0.149 0.000 1.104 696 A CA -0.447 51.519 52.037 -0.118 0.000 0.768 696 A CB 1.099 19.879 19.000 -0.367 0.000 1.213 696 A HN 0.655 nan 8.150 nan 0.000 0.456 697 L N 1.985 123.362 121.223 0.256 0.000 2.406 697 L HA 0.724 5.104 4.340 0.066 0.000 0.272 697 L C 0.133 177.212 176.870 0.349 0.000 0.980 697 L CA -0.557 54.441 54.840 0.264 0.000 0.831 697 L CB 1.992 44.154 42.059 0.171 0.000 1.253 697 L HN 0.791 nan 8.230 nan 0.000 0.406 698 A N 2.163 125.097 122.820 0.189 0.000 2.337 698 A HA 0.899 5.259 4.320 0.066 0.000 0.329 698 A C 0.584 178.161 177.584 -0.010 0.000 1.146 698 A CA 0.248 52.265 52.037 -0.034 0.000 0.800 698 A CB 1.278 20.075 19.000 -0.339 0.000 1.220 698 A HN 1.010 nan 8.150 nan 0.000 0.472 699 G N 1.616 110.400 108.800 -0.027 0.000 2.596 699 G HA2 -0.311 3.689 3.960 0.066 0.000 0.295 699 G HA3 -0.311 3.689 3.960 0.066 0.000 0.295 699 G C 0.452 175.358 174.900 0.010 0.000 1.240 699 G CA 0.773 45.863 45.100 -0.016 0.000 0.985 699 G HN 0.721 nan 8.290 nan 0.000 0.555 700 D N 1.170 121.573 120.400 0.004 0.000 2.351 700 D HA 0.204 4.884 4.640 0.066 0.000 0.216 700 D C 2.564 178.873 176.300 0.016 0.000 0.968 700 D CA 1.504 55.502 54.000 -0.003 0.000 0.899 700 D CB -0.623 40.166 40.800 -0.018 0.000 0.907 700 D HN 0.811 nan 8.370 nan 0.000 0.514 701 A N 0.384 123.252 122.820 0.080 0.000 2.125 701 A HA -0.159 4.201 4.320 0.066 0.000 0.219 701 A C 2.048 179.756 177.584 0.205 0.000 1.156 701 A CA 0.693 52.854 52.037 0.207 0.000 0.671 701 A CB -0.351 18.783 19.000 0.223 0.000 0.794 701 A HN 0.139 nan 8.150 nan 0.000 0.459 702 R N -0.243 120.319 120.500 0.103 0.000 2.241 702 R HA -0.086 4.294 4.340 0.066 0.000 0.224 702 R C 1.527 177.843 176.300 0.027 0.000 1.101 702 R CA 0.949 57.096 56.100 0.078 0.000 0.995 702 R CB -0.094 30.238 30.300 0.053 0.000 0.870 702 R HN 0.310 nan 8.270 nan 0.000 0.463 703 K N 0.088 120.460 120.400 -0.047 0.000 2.218 703 K HA -0.157 4.203 4.320 0.066 0.000 0.205 703 K C 1.597 178.083 176.600 -0.190 0.000 1.046 703 K CA 1.363 57.557 56.287 -0.154 0.000 0.933 703 K CB -0.262 32.073 32.500 -0.276 0.000 0.728 703 K HN 0.261 nan 8.250 nan 0.000 0.454 704 F N 1.472 121.396 119.950 -0.043 0.000 2.502 704 F HA -0.061 4.506 4.527 0.067 0.000 0.298 704 F C 2.073 177.823 175.800 -0.084 0.000 1.111 704 F CA 0.697 58.658 58.000 -0.064 0.000 1.445 704 F CB -0.071 38.889 39.000 -0.065 0.000 1.081 704 F HN -0.017 nan 8.300 nan 0.000 0.558 705 K N 0.322 120.769 120.400 0.078 0.000 2.160 705 K HA -0.229 4.131 4.320 0.066 0.000 0.206 705 K C 2.279 178.851 176.600 -0.047 0.000 1.047 705 K CA 1.184 57.469 56.287 -0.003 0.000 0.930 705 K CB -0.385 32.110 32.500 -0.008 0.000 0.720 705 K HN 0.284 nan 8.250 nan 0.000 0.450 706 A N 0.799 123.595 122.820 -0.039 0.000 1.969 706 A HA -0.128 4.232 4.320 0.066 0.000 0.218 706 A C 2.080 179.628 177.584 -0.059 0.000 1.169 706 A CA 1.844 53.848 52.037 -0.055 0.000 0.635 706 A CB -0.711 18.253 19.000 -0.060 0.000 0.810 706 A HN 0.298 nan 8.150 nan 0.000 0.445 707 T N 0.456 114.990 114.554 -0.032 0.000 2.915 707 T HA -0.025 4.365 4.350 0.066 0.000 0.269 707 T C 1.381 176.006 174.700 -0.126 0.000 1.071 707 T CA 1.433 63.512 62.100 -0.036 0.000 1.132 707 T CB -0.451 68.444 68.868 0.044 0.000 0.878 707 T HN 0.747 nan 8.240 nan 0.000 0.479 708 I N -2.029 118.409 120.570 -0.219 0.000 3.936 708 I HA 0.468 4.678 4.170 0.066 0.000 0.330 708 I C -0.343 175.504 176.117 -0.450 0.000 1.509 708 I CA -0.836 60.181 61.300 -0.472 0.000 1.126 708 I CB -0.243 37.303 38.000 -0.757 0.000 1.115 708 I HN -0.105 nan 8.210 nan 0.000 0.424 709 K N 1.905 122.169 120.400 -0.226 0.000 3.257 709 K HA -0.122 4.238 4.320 0.066 0.000 0.270 709 K C -0.476 176.051 176.600 -0.122 0.000 0.984 709 K CA 0.388 56.591 56.287 -0.140 0.000 0.739 709 K CB -1.367 31.072 32.500 -0.102 0.000 1.351 709 K HN 0.362 nan 8.250 nan 0.000 0.463 710 I N 0.849 121.348 120.570 -0.120 0.000 2.365 710 I HA 0.307 4.517 4.170 0.066 0.000 0.291 710 I C 1.304 177.401 176.117 -0.033 0.000 1.004 710 I CA -0.775 60.487 61.300 -0.064 0.000 1.311 710 I CB 0.701 38.668 38.000 -0.055 0.000 1.401 710 I HN 0.312 nan 8.210 nan 0.000 0.491 711 A N 4.772 127.584 122.820 -0.014 0.000 2.332 711 A HA 0.204 4.564 4.320 0.066 0.000 0.258 711 A C 1.061 178.642 177.584 -0.006 0.000 1.087 711 A CA -0.295 51.736 52.037 -0.009 0.000 0.802 711 A CB 0.175 19.173 19.000 -0.002 0.000 1.042 711 A HN 0.754 nan 8.150 nan 0.000 0.489 712 D N -0.019 120.378 120.400 -0.006 0.000 2.133 712 D HA -0.192 4.488 4.640 0.066 0.000 0.192 712 D C 1.710 178.012 176.300 0.002 0.000 1.001 712 D CA 2.018 56.017 54.000 -0.002 0.000 0.844 712 D CB -0.165 40.633 40.800 -0.003 0.000 0.944 712 D HN 0.630 nan 8.370 nan 0.000 0.447 713 Q N -0.068 119.734 119.800 0.003 0.000 2.248 713 Q HA 0.034 4.414 4.340 0.066 0.000 0.208 713 Q C 0.915 176.919 176.000 0.006 0.000 0.984 713 Q CA 1.287 57.093 55.803 0.005 0.000 0.875 713 Q CB -0.370 28.371 28.738 0.004 0.000 0.910 713 Q HN 0.393 nan 8.270 nan 0.000 0.433 714 G N -0.540 108.263 108.800 0.006 0.000 2.610 714 G HA2 -0.187 3.813 3.960 0.066 0.000 0.304 714 G HA3 -0.187 3.813 3.960 0.066 0.000 0.304 714 G C -1.157 173.748 174.900 0.008 0.000 1.309 714 G CA -0.238 44.866 45.100 0.007 0.000 0.906 714 G HN 0.247 nan 8.290 nan 0.000 0.521 715 E N -0.418 119.787 120.200 0.008 0.000 2.321 715 E HA 0.435 4.824 4.350 0.066 0.000 0.281 715 E C -0.355 176.241 176.600 -0.007 0.000 0.910 715 E CA -0.565 55.843 56.400 0.013 0.000 0.770 715 E CB 1.191 30.918 29.700 0.046 0.000 1.225 715 E HN 0.595 nan 8.360 nan 0.000 0.417 716 E N 1.681 121.869 120.200 -0.020 0.000 2.585 716 E HA 0.169 4.559 4.350 0.066 0.000 0.252 716 E C 0.720 177.278 176.600 -0.069 0.000 0.981 716 E CA 1.575 57.947 56.400 -0.046 0.000 0.943 716 E CB 0.405 30.078 29.700 -0.046 0.000 0.923 716 E HN 0.836 nan 8.360 nan 0.000 0.486 717 G N 3.292 112.037 108.800 -0.092 0.000 2.218 717 G HA2 -0.196 3.804 3.960 0.066 0.000 0.216 717 G HA3 -0.196 3.804 3.960 0.066 0.000 0.216 717 G C 0.042 174.889 174.900 -0.088 0.000 0.994 717 G CA -0.505 44.521 45.100 -0.123 0.000 0.637 717 G HN 0.429 nan 8.290 nan 0.000 0.505 718 I N 2.193 122.734 120.570 -0.049 0.000 2.354 718 I HA 0.501 4.710 4.170 0.066 0.000 0.286 718 I C 0.437 176.506 176.117 -0.079 0.000 1.007 718 I CA -1.191 60.086 61.300 -0.038 0.000 1.167 718 I CB 1.221 39.230 38.000 0.016 0.000 1.320 718 I HN -0.100 nan 8.210 nan 0.000 0.458 719 V N 7.326 127.148 119.914 -0.153 0.000 2.509 719 V HA 0.438 4.598 4.120 0.066 0.000 0.284 719 V C 0.193 176.201 176.094 -0.144 0.000 1.047 719 V CA -0.431 61.722 62.300 -0.245 0.000 0.952 719 V CB 1.360 32.869 31.823 -0.524 0.000 0.988 719 V HN 0.877 nan 8.190 nan 0.000 0.469 720 E N 3.879 124.078 120.200 -0.002 0.000 2.352 720 E HA 0.866 5.256 4.350 0.066 0.000 0.280 720 E C -1.034 175.713 176.600 0.245 0.000 0.930 720 E CA -0.971 55.537 56.400 0.180 0.000 0.765 720 E CB 2.498 32.257 29.700 0.100 0.000 1.219 720 E HN 0.840 nan 8.360 nan 0.000 0.434 721 A N 1.780 124.774 122.820 0.291 0.000 2.566 721 A HA 0.361 4.721 4.320 0.066 0.000 0.290 721 A C -0.519 177.104 177.584 0.065 0.000 1.071 721 A CA -0.591 51.550 52.037 0.174 0.000 0.658 721 A CB 1.103 20.246 19.000 0.238 0.000 1.285 721 A HN 0.585 nan 8.150 nan 0.000 0.427 722 D N 0.518 120.930 120.400 0.019 0.000 2.149 722 D HA 0.002 4.682 4.640 0.066 0.000 0.198 722 D C 1.127 177.380 176.300 -0.078 0.000 0.990 722 D CA 2.427 56.415 54.000 -0.020 0.000 0.839 722 D CB 0.023 40.813 40.800 -0.016 0.000 0.948 722 D HN 0.811 nan 8.370 nan 0.000 0.460 723 S N -1.619 114.002 115.700 -0.132 0.000 2.651 723 S HA 0.707 5.217 4.470 0.066 0.000 0.279 723 S C -0.874 173.425 174.600 -0.502 0.000 1.148 723 S CA -0.903 57.149 58.200 -0.246 0.000 0.837 723 S CB 2.206 65.312 63.200 -0.157 0.000 1.138 723 S HN 0.049 nan 8.310 nan 0.000 0.478 724 A N 1.602 124.026 122.820 -0.659 0.000 2.350 724 A HA 0.616 4.976 4.320 0.066 0.000 0.293 724 A C -0.132 177.258 177.584 -0.323 0.000 1.231 724 A CA -0.185 51.295 52.037 -0.928 0.000 0.883 724 A CB -1.100 17.499 19.000 -0.669 0.000 1.133 724 A HN 0.912 nan 8.150 nan 0.000 0.533 725 D N 1.253 121.583 120.400 -0.116 0.000 2.846 725 D HA 0.550 5.230 4.640 0.066 0.000 0.273 725 D C 1.255 177.610 176.300 0.092 0.000 1.145 725 D CA 0.093 54.093 54.000 -0.000 0.000 1.091 725 D CB -0.074 40.726 40.800 0.000 0.000 1.364 725 D HN 0.222 nan 8.370 nan 0.000 0.613 726 G N -0.432 108.406 108.800 0.063 0.000 2.480 726 G HA2 -0.303 3.697 3.960 0.066 0.000 0.216 726 G HA3 -0.303 3.697 3.960 0.066 0.000 0.216 726 G C 1.526 176.477 174.900 0.085 0.000 1.200 726 G CA 1.620 46.759 45.100 0.064 0.000 0.782 726 G HN 0.460 nan 8.290 nan 0.000 0.554 727 S N -0.259 115.493 115.700 0.087 0.000 2.359 727 S HA -0.145 4.365 4.470 0.066 0.000 0.224 727 S C 2.103 176.775 174.600 0.120 0.000 1.035 727 S CA 1.625 59.875 58.200 0.084 0.000 1.018 727 S CB -0.457 62.787 63.200 0.074 0.000 0.876 727 S HN 0.369 nan 8.310 nan 0.000 0.448 728 F N 1.871 121.818 119.950 -0.005 0.000 2.069 728 F HA -0.102 4.465 4.527 0.066 0.000 0.298 728 F C 2.173 177.969 175.800 -0.008 0.000 1.113 728 F CA 1.882 59.878 58.000 -0.006 0.000 1.214 728 F CB -0.302 38.696 39.000 -0.004 0.000 0.978 728 F HN 0.210 nan 8.300 nan 0.000 0.474 729 M N 0.093 119.859 119.600 0.277 0.000 2.229 729 M HA -0.153 4.367 4.480 0.066 0.000 0.264 729 M C 1.736 178.048 176.300 0.020 0.000 1.063 729 M CA 1.254 56.635 55.300 0.135 0.000 1.114 729 M CB -1.322 31.372 32.600 0.157 0.000 1.387 729 M HN 0.138 nan 8.290 nan 0.000 0.420 730 D N 0.490 120.906 120.400 0.026 0.000 2.117 730 D HA -0.133 4.546 4.640 0.066 0.000 0.197 730 D C 1.981 178.259 176.300 -0.037 0.000 0.987 730 D CA 1.116 55.116 54.000 -0.001 0.000 0.829 730 D CB -0.097 40.708 40.800 0.009 0.000 0.961 730 D HN 0.473 nan 8.370 nan 0.000 0.460 731 E N 0.370 120.533 120.200 -0.063 0.000 2.047 731 E HA -0.104 4.286 4.350 0.066 0.000 0.191 731 E C 2.180 178.697 176.600 -0.139 0.000 0.987 731 E CA 0.144 56.484 56.400 -0.100 0.000 0.799 731 E CB -0.036 29.585 29.700 -0.130 0.000 0.752 731 E HN 0.162 nan 8.360 nan 0.000 0.449 732 L N 1.083 122.187 121.223 -0.199 0.000 2.012 732 L HA -0.204 4.176 4.340 0.066 0.000 0.210 732 L C 2.263 179.064 176.870 -0.114 0.000 1.073 732 L CA 1.544 56.265 54.840 -0.198 0.000 0.748 732 L CB -0.400 41.509 42.059 -0.250 0.000 0.891 732 L HN 0.246 nan 8.230 nan 0.000 0.431 733 L N -0.588 120.590 121.223 -0.075 0.000 2.083 733 L HA -0.230 4.150 4.340 0.066 0.000 0.209 733 L C 2.489 179.333 176.870 -0.043 0.000 1.083 733 L CA 1.617 56.430 54.840 -0.046 0.000 0.752 733 L CB -0.763 41.281 42.059 -0.026 0.000 0.899 733 L HN 0.289 nan 8.230 nan 0.000 0.433 734 T N 0.275 114.800 114.554 -0.047 0.000 2.684 734 T HA -0.195 4.195 4.350 0.066 0.000 0.267 734 T C 1.949 176.616 174.700 -0.055 0.000 1.036 734 T CA 1.343 63.419 62.100 -0.040 0.000 1.148 734 T CB -0.302 68.544 68.868 -0.037 0.000 0.863 734 T HN 0.200 nan 8.240 nan 0.000 0.436 735 L N 0.258 121.429 121.223 -0.087 0.000 2.042 735 L HA -0.129 4.251 4.340 0.066 0.000 0.210 735 L C 2.725 179.526 176.870 -0.115 0.000 1.076 735 L CA 1.444 56.211 54.840 -0.121 0.000 0.749 735 L CB -0.577 41.391 42.059 -0.153 0.000 0.893 735 L HN 0.321 nan 8.230 nan 0.000 0.432 736 M N -0.892 118.657 119.600 -0.085 0.000 2.229 736 M HA -0.126 4.394 4.480 0.066 0.000 0.264 736 M C 2.414 178.711 176.300 -0.005 0.000 1.063 736 M CA 1.496 56.763 55.300 -0.055 0.000 1.114 736 M CB -0.451 32.128 32.600 -0.035 0.000 1.387 736 M HN 0.303 nan 8.290 nan 0.000 0.420 737 A N 0.295 123.114 122.820 -0.002 0.000 2.067 737 A HA 0.082 4.442 4.320 0.066 0.000 0.219 737 A C 2.110 179.732 177.584 0.063 0.000 1.158 737 A CA 1.619 53.676 52.037 0.032 0.000 0.661 737 A CB -0.562 18.451 19.000 0.023 0.000 0.801 737 A HN 0.490 nan 8.150 nan 0.000 0.452 738 A N -2.644 120.192 122.820 0.025 0.000 2.307 738 A HA 0.379 4.739 4.320 0.066 0.000 0.218 738 A C 0.912 178.511 177.584 0.025 0.000 1.228 738 A CA 1.147 53.210 52.037 0.044 0.000 0.857 738 A CB -0.422 18.561 19.000 -0.028 0.000 0.897 738 A HN 0.913 nan 8.150 nan 0.000 0.495 739 H N -1.211 117.796 119.070 -0.106 0.000 4.884 739 H HA -0.186 4.410 4.556 0.067 0.000 0.061 739 H C 0.098 175.197 175.328 -0.381 0.000 0.590 739 H CA 2.402 58.368 56.048 -0.137 0.000 0.961 739 H CB -0.572 29.212 29.762 0.036 0.000 0.443 739 H HN 0.453 nan 8.280 nan 0.000 0.794 740 R N -0.439 119.460 120.500 -1.001 0.000 2.855 740 R HA 0.636 5.016 4.340 0.066 0.000 0.266 740 R C -0.697 174.750 176.300 -1.422 0.000 1.034 740 R CA -0.281 54.995 56.100 -1.373 0.000 0.944 740 R CB 1.716 30.823 30.300 -1.987 0.000 1.219 740 R HN 0.064 nan 8.270 nan 0.000 0.474 741 V N 2.244 121.533 119.914 -1.042 0.000 2.218 741 V HA 0.137 4.297 4.120 0.066 0.000 0.261 741 V C 0.588 176.308 176.094 -0.622 0.000 1.142 741 V CA -0.507 61.371 62.300 -0.702 0.000 0.965 741 V CB -0.041 31.511 31.823 -0.450 0.000 1.190 741 V HN 0.716 nan 8.190 nan 0.000 0.478 742 W N 1.532 122.549 121.300 -0.472 0.000 2.374 742 W HA -0.177 4.523 4.660 0.066 0.000 0.288 742 W C 2.550 178.854 176.519 -0.359 0.000 1.218 742 W CA 0.913 57.888 57.345 -0.618 0.000 1.245 742 W CB -0.427 28.250 29.460 -1.304 0.000 1.126 742 W HN 0.646 nan 8.180 nan 0.000 0.545 743 S N 0.874 116.526 115.700 -0.080 0.000 2.469 743 S HA -0.188 4.322 4.470 0.066 0.000 0.238 743 S C 1.724 176.286 174.600 -0.064 0.000 0.998 743 S CA 1.040 59.214 58.200 -0.042 0.000 0.957 743 S CB -0.466 62.711 63.200 -0.038 0.000 0.764 743 S HN 0.410 nan 8.310 nan 0.000 0.514 744 R N 0.573 120.990 120.500 -0.137 0.000 2.276 744 R HA 0.231 4.611 4.340 0.066 0.000 0.203 744 R C 1.803 178.037 176.300 -0.111 0.000 1.017 744 R CA 0.470 56.469 56.100 -0.168 0.000 1.010 744 R CB -0.381 29.701 30.300 -0.364 0.000 0.900 744 R HN 0.495 nan 8.270 nan 0.000 0.469 745 I N 1.636 122.180 120.570 -0.044 0.000 2.151 745 I HA -0.243 3.966 4.170 0.066 0.000 0.243 745 I C -0.836 175.305 176.117 0.041 0.000 1.080 745 I CA 1.397 62.714 61.300 0.028 0.000 1.339 745 I CB -0.948 37.119 38.000 0.113 0.000 1.039 745 I HN 0.159 nan 8.210 nan 0.000 0.409 746 P HA -0.193 nan 4.420 nan 0.000 0.217 746 P C 1.247 178.577 177.300 0.051 0.000 1.148 746 P CA 1.543 64.674 63.100 0.051 0.000 0.828 746 P CB -0.066 31.660 31.700 0.044 0.000 0.783 747 K N -0.649 119.777 120.400 0.044 0.000 2.432 747 K HA 0.036 4.395 4.320 0.066 0.000 0.196 747 K C 1.916 178.585 176.600 0.114 0.000 1.038 747 K CA 0.653 56.990 56.287 0.084 0.000 0.986 747 K CB -0.322 32.251 32.500 0.123 0.000 0.782 747 K HN 0.306 nan 8.250 nan 0.000 0.485 748 I N -2.596 118.012 120.570 0.062 0.000 3.030 748 I HA -0.007 4.203 4.170 0.066 0.000 0.270 748 I C 1.171 177.333 176.117 0.075 0.000 1.211 748 I CA 0.758 62.100 61.300 0.069 0.000 1.479 748 I CB -0.001 37.994 38.000 -0.008 0.000 1.105 748 I HN -0.174 nan 8.210 nan 0.000 0.447 749 D N 2.372 122.816 120.400 0.075 0.000 2.203 749 D HA -0.206 4.474 4.640 0.066 0.000 0.199 749 D C 2.018 178.359 176.300 0.068 0.000 0.997 749 D CA 1.551 55.596 54.000 0.075 0.000 0.863 749 D CB 0.010 40.853 40.800 0.073 0.000 0.928 749 D HN 0.460 nan 8.370 nan 0.000 0.458 750 K N -0.494 119.947 120.400 0.068 0.000 2.284 750 K HA 0.057 4.417 4.320 0.066 0.000 0.198 750 K C 0.445 177.077 176.600 0.054 0.000 1.048 750 K CA -0.202 56.119 56.287 0.057 0.000 0.987 750 K CB 0.322 32.853 32.500 0.051 0.000 0.800 750 K HN 0.160 nan 8.250 nan 0.000 0.486 751 I N 1.467 122.077 120.570 0.067 0.000 2.533 751 I HA 0.128 4.338 4.170 0.066 0.000 0.284 751 I C -2.602 173.542 176.117 0.045 0.000 1.109 751 I CA -3.450 57.881 61.300 0.052 0.000 1.412 751 I CB -0.180 37.861 38.000 0.068 0.000 1.396 751 I HN -0.086 nan 8.210 nan 0.000 0.543 752 P HA 0.560 nan 4.420 nan 0.000 0.256 752 P C -0.739 176.614 177.300 0.089 0.000 1.689 752 P CA -0.040 63.095 63.100 0.058 0.000 1.124 752 P CB 0.236 31.965 31.700 0.050 0.000 1.766 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.360 4.320 0.066 0.000 0.244 753 A CA 0.000 52.125 52.037 0.147 0.000 0.836 753 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486