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 3pq5_1_C 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 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 29 L N 2.686 123.865 121.223 -0.074 0.000 2.375 29 L HA 0.368 4.734 4.340 0.043 0.000 0.215 29 L C 1.550 178.343 176.870 -0.127 0.000 1.108 29 L CA 0.666 55.458 54.840 -0.080 0.000 0.830 29 L CB -0.637 41.385 42.059 -0.062 0.000 0.959 29 L HN 0.765 nan 8.230 nan 0.000 0.457 30 A N 1.550 124.242 122.820 -0.213 0.000 2.445 30 A HA 0.365 4.711 4.320 0.043 0.000 0.242 30 A C -1.979 175.460 177.584 -0.242 0.000 1.075 30 A CA -0.950 50.843 52.037 -0.407 0.000 0.777 30 A CB -0.536 17.979 19.000 -0.808 0.000 1.013 30 A HN -0.006 nan 8.150 nan 0.000 0.493 31 P HA 0.108 nan 4.420 nan 0.000 0.272 31 P C 0.219 177.510 177.300 -0.016 0.000 1.223 31 P CA -0.034 63.038 63.100 -0.048 0.000 0.784 31 P CB 0.800 32.511 31.700 0.019 0.000 0.923 32 E N 0.998 121.196 120.200 -0.002 0.000 2.153 32 E HA -0.218 4.158 4.350 0.043 0.000 0.194 32 E C 1.058 177.680 176.600 0.037 0.000 0.988 32 E CA 1.651 58.057 56.400 0.011 0.000 0.811 32 E CB -0.218 29.485 29.700 0.005 0.000 0.746 32 E HN 0.530 nan 8.360 nan 0.000 0.466 33 D N -1.440 118.987 120.400 0.046 0.000 2.336 33 D HA 0.042 4.708 4.640 0.043 0.000 0.229 33 D C 1.140 177.488 176.300 0.080 0.000 1.061 33 D CA 0.702 54.733 54.000 0.051 0.000 0.875 33 D CB -0.175 40.647 40.800 0.037 0.000 0.904 33 D HN 0.217 nan 8.370 nan 0.000 0.525 34 G N 0.564 109.454 108.800 0.151 0.000 2.168 34 G HA2 -0.364 3.622 3.960 0.043 0.000 0.257 34 G HA3 -0.364 3.622 3.960 0.043 0.000 0.257 34 G C 1.011 175.983 174.900 0.121 0.000 0.997 34 G CA 0.878 46.104 45.100 0.210 0.000 0.708 34 G HN 0.702 nan 8.290 nan 0.000 0.520 35 S N 0.300 116.093 115.700 0.154 0.000 2.607 35 S HA -0.005 4.491 4.470 0.043 0.000 0.224 35 S C 1.872 176.524 174.600 0.087 0.000 0.969 35 S CA 1.038 59.283 58.200 0.076 0.000 0.927 35 S CB -0.468 62.770 63.200 0.064 0.000 0.772 35 S HN 0.909 nan 8.310 nan 0.000 0.533 36 H N 0.710 119.786 119.070 0.010 0.000 2.502 36 H HA 0.284 4.866 4.556 0.043 0.000 0.283 36 H C 0.775 176.114 175.328 0.018 0.000 1.015 36 H CA 0.201 56.257 56.048 0.012 0.000 1.298 36 H CB -0.307 29.462 29.762 0.011 0.000 1.411 36 H HN 0.309 nan 8.280 nan 0.000 0.556 37 R N 2.428 122.624 120.500 -0.507 0.000 2.229 37 R HA 0.344 4.709 4.340 0.043 0.000 0.332 37 R C -2.607 173.601 176.300 -0.152 0.000 0.989 37 R CA -2.001 53.870 56.100 -0.382 0.000 0.842 37 R CB 0.786 30.777 30.300 -0.516 0.000 1.119 37 R HN 0.108 nan 8.270 nan 0.000 0.456 38 P HA 0.081 nan 4.420 nan 0.000 0.268 38 P C -1.030 176.261 177.300 -0.014 0.000 1.204 38 P CA -0.163 62.929 63.100 -0.015 0.000 0.768 38 P CB 1.001 32.718 31.700 0.028 0.000 0.842 39 A N 3.212 126.029 122.820 -0.005 0.000 2.520 39 A HA 0.364 4.710 4.320 0.043 0.000 0.245 39 A C 0.858 178.451 177.584 0.016 0.000 1.072 39 A CA 0.150 52.187 52.037 0.001 0.000 0.761 39 A CB -0.421 18.582 19.000 0.005 0.000 1.004 39 A HN 0.579 nan 8.150 nan 0.000 0.499 40 A N 3.595 126.424 122.820 0.015 0.000 3.091 40 A HA 0.514 4.860 4.320 0.043 0.000 0.264 40 A C 0.324 177.925 177.584 0.029 0.000 1.673 40 A CA 0.188 52.240 52.037 0.025 0.000 1.362 40 A CB -0.849 18.163 19.000 0.020 0.000 1.137 40 A HN 0.950 nan 8.150 nan 0.000 0.617 41 E N -0.545 119.675 120.200 0.034 0.000 2.396 41 E HA 0.423 4.799 4.350 0.043 0.000 0.280 41 E C -3.332 173.291 176.600 0.038 0.000 1.065 41 E CA -2.273 54.148 56.400 0.036 0.000 0.831 41 E CB 0.428 30.143 29.700 0.026 0.000 1.272 41 E HN 0.061 nan 8.360 nan 0.000 0.443 42 P HA 0.107 nan 4.420 nan 0.000 0.267 42 P C -0.819 176.490 177.300 0.014 0.000 1.205 42 P CA 0.351 63.467 63.100 0.027 0.000 0.765 42 P CB 0.613 32.321 31.700 0.013 0.000 0.828 43 T N 0.674 115.231 114.554 0.006 0.000 2.900 43 T HA 0.663 5.039 4.350 0.043 0.000 0.303 43 T C -3.024 171.649 174.700 -0.045 0.000 1.142 43 T CA -2.458 59.640 62.100 -0.004 0.000 1.007 43 T CB 1.892 70.763 68.868 0.005 0.000 1.156 43 T HN 0.079 nan 8.240 nan 0.000 0.490 44 P HA 0.447 nan 4.420 nan 0.000 0.278 44 P C -2.866 174.286 177.300 -0.247 0.000 1.258 44 P CA -1.957 60.999 63.100 -0.241 0.000 0.811 44 P CB -0.682 30.933 31.700 -0.141 0.000 1.063 45 P HA 0.044 nan 4.420 nan 0.000 0.262 45 P C 1.067 178.313 177.300 -0.088 0.000 1.182 45 P CA 1.549 64.541 63.100 -0.180 0.000 0.761 45 P CB -0.340 31.252 31.700 -0.181 0.000 0.795 46 G N 2.798 111.578 108.800 -0.034 0.000 2.217 46 G HA2 -0.327 3.659 3.960 0.043 0.000 0.246 46 G HA3 -0.327 3.659 3.960 0.043 0.000 0.246 46 G C 1.135 176.031 174.900 -0.007 0.000 0.990 46 G CA 0.376 45.470 45.100 -0.009 0.000 0.627 46 G HN 0.669 nan 8.290 nan 0.000 0.522 47 A N -1.097 121.714 122.820 -0.015 0.000 1.968 47 A HA 0.430 4.776 4.320 0.043 0.000 0.217 47 A C 1.326 178.912 177.584 0.003 0.000 1.169 47 A CA 1.994 54.028 52.037 -0.006 0.000 0.638 47 A CB 0.010 19.003 19.000 -0.011 0.000 0.812 47 A HN 0.490 nan 8.150 nan 0.000 0.446 48 Q N -1.190 118.616 119.800 0.010 0.000 2.456 48 Q HA 0.436 4.802 4.340 0.043 0.000 0.284 48 Q C -2.973 173.042 176.000 0.025 0.000 1.061 48 Q CA -1.950 53.863 55.803 0.017 0.000 0.799 48 Q CB 1.026 29.778 28.738 0.023 0.000 1.445 48 Q HN 0.055 nan 8.270 nan 0.000 0.411 49 P HA 0.063 nan 4.420 nan 0.000 0.269 49 P C -0.339 176.993 177.300 0.054 0.000 1.209 49 P CA 0.011 63.126 63.100 0.026 0.000 0.776 49 P CB 0.265 31.978 31.700 0.021 0.000 0.876 50 T N -0.629 113.957 114.554 0.054 0.000 2.856 50 T HA 0.551 4.927 4.350 0.043 0.000 0.306 50 T C 0.014 174.803 174.700 0.149 0.000 1.062 50 T CA -0.525 61.655 62.100 0.134 0.000 1.083 50 T CB 0.522 69.407 68.868 0.028 0.000 0.984 50 T HN 0.534 nan 8.240 nan 0.000 0.542 51 A N 2.247 125.254 122.820 0.310 0.000 2.566 51 A HA 0.805 5.151 4.320 0.043 0.000 0.292 51 A C -2.954 174.892 177.584 0.436 0.000 1.112 51 A CA -2.181 50.014 52.037 0.263 0.000 0.707 51 A CB 0.793 19.899 19.000 0.177 0.000 1.302 51 A HN 0.662 nan 8.150 nan 0.000 0.409 52 P HA 0.136 nan 4.420 nan 0.000 0.267 52 P C 1.195 178.654 177.300 0.264 0.000 1.200 52 P CA 0.779 64.100 63.100 0.368 0.000 0.772 52 P CB 0.580 32.415 31.700 0.226 0.000 0.855 53 G N 1.727 110.648 108.800 0.201 0.000 2.440 53 G HA2 -0.276 3.710 3.960 0.043 0.000 0.218 53 G HA3 -0.276 3.710 3.960 0.043 0.000 0.218 53 G C 1.506 176.429 174.900 0.038 0.000 1.154 53 G CA 1.122 46.251 45.100 0.048 0.000 0.767 53 G HN 0.594 nan 8.290 nan 0.000 0.552 54 S N 0.019 115.745 115.700 0.043 0.000 2.481 54 S HA 0.158 4.654 4.470 0.043 0.000 0.231 54 S C 2.211 176.831 174.600 0.034 0.000 0.996 54 S CA 0.657 58.866 58.200 0.015 0.000 0.942 54 S CB -0.151 63.050 63.200 0.000 0.000 0.768 54 S HN 0.310 nan 8.310 nan 0.000 0.520 55 L N 0.007 121.268 121.223 0.064 0.000 2.202 55 L HA 0.233 4.599 4.340 0.043 0.000 0.205 55 L C 2.707 179.612 176.870 0.059 0.000 1.083 55 L CA 0.786 55.663 54.840 0.061 0.000 0.790 55 L CB -0.389 41.715 42.059 0.075 0.000 0.942 55 L HN 0.220 nan 8.230 nan 0.000 0.452 56 K N 1.527 121.974 120.400 0.078 0.000 2.057 56 K HA -0.032 4.314 4.320 0.043 0.000 0.206 56 K C 0.808 177.439 176.600 0.052 0.000 1.050 56 K CA 1.556 57.888 56.287 0.076 0.000 0.935 56 K CB -0.025 32.537 32.500 0.103 0.000 0.715 56 K HN 0.182 nan 8.250 nan 0.000 0.439 57 A N 0.486 123.329 122.820 0.039 0.000 3.355 57 A HA 0.336 4.682 4.320 0.043 0.000 0.290 57 A C -2.134 175.456 177.584 0.010 0.000 0.973 57 A CA -0.891 51.165 52.037 0.031 0.000 0.933 57 A CB 0.570 19.592 19.000 0.037 0.000 1.138 57 A HN 0.180 nan 8.150 nan 0.000 0.490 58 P HA -0.127 nan 4.420 nan 0.000 0.222 58 P C 0.101 177.394 177.300 -0.011 0.000 1.147 58 P CA 1.026 64.125 63.100 -0.001 0.000 0.790 58 P CB 0.293 31.996 31.700 0.006 0.000 0.780 59 D N -0.529 119.869 120.400 -0.004 0.000 2.355 59 D HA 0.004 4.670 4.640 0.043 0.000 0.218 59 D C 0.522 176.807 176.300 -0.026 0.000 1.004 59 D CA 0.669 54.662 54.000 -0.011 0.000 0.880 59 D CB -0.316 40.484 40.800 0.001 0.000 0.911 59 D HN 0.171 nan 8.370 nan 0.000 0.528 60 T N 2.314 116.848 114.554 -0.032 0.000 2.869 60 T HA 0.361 4.737 4.350 0.043 0.000 0.295 60 T C 0.535 175.187 174.700 -0.080 0.000 0.987 60 T CA -0.461 61.603 62.100 -0.060 0.000 1.109 60 T CB 1.542 70.370 68.868 -0.066 0.000 0.932 60 T HN 0.124 nan 8.240 nan 0.000 0.518 61 R N 1.656 122.098 120.500 -0.097 0.000 2.710 61 R HA 0.566 4.932 4.340 0.043 0.000 0.270 61 R C -1.651 174.583 176.300 -0.110 0.000 1.021 61 R CA -0.920 55.119 56.100 -0.101 0.000 0.889 61 R CB 1.063 31.312 30.300 -0.085 0.000 1.243 61 R HN 0.777 nan 8.270 nan 0.000 0.464 62 N N -1.486 117.155 118.700 -0.099 0.000 3.179 62 N HA 0.097 4.863 4.740 0.043 0.000 0.250 62 N C 0.045 175.510 175.510 -0.075 0.000 1.507 62 N CA -0.455 52.549 53.050 -0.076 0.000 0.883 62 N CB 0.575 39.047 38.487 -0.026 0.000 1.435 62 N HN 0.706 nan 8.380 nan 0.000 0.532 63 E N -0.357 119.814 120.200 -0.048 0.000 2.110 63 E HA -0.237 4.139 4.350 0.043 0.000 0.193 63 E C 1.045 177.577 176.600 -0.113 0.000 0.988 63 E CA 1.373 57.739 56.400 -0.055 0.000 0.804 63 E CB 0.076 29.770 29.700 -0.009 0.000 0.745 63 E HN 0.471 nan 8.360 nan 0.000 0.458 64 K N 0.775 121.073 120.400 -0.171 0.000 2.062 64 K HA -0.066 4.280 4.320 0.043 0.000 0.205 64 K C 2.099 178.537 176.600 -0.270 0.000 1.051 64 K CA 1.084 57.175 56.287 -0.327 0.000 0.941 64 K CB -0.430 31.703 32.500 -0.612 0.000 0.719 64 K HN 0.180 nan 8.250 nan 0.000 0.440 65 L N 0.967 122.047 121.223 -0.238 0.000 2.042 65 L HA -0.233 4.133 4.340 0.043 0.000 0.210 65 L C 1.843 178.600 176.870 -0.187 0.000 1.076 65 L CA 1.386 56.061 54.840 -0.274 0.000 0.749 65 L CB -0.642 41.254 42.059 -0.273 0.000 0.893 65 L HN 0.253 nan 8.230 nan 0.000 0.432 66 N N -0.372 118.243 118.700 -0.141 0.000 2.142 66 N HA -0.155 4.611 4.740 0.043 0.000 0.186 66 N C 2.075 177.526 175.510 -0.098 0.000 1.023 66 N CA 1.655 54.644 53.050 -0.102 0.000 0.852 66 N CB -0.491 37.950 38.487 -0.077 0.000 0.998 66 N HN 0.374 nan 8.380 nan 0.000 0.424 67 S N 0.424 116.056 115.700 -0.114 0.000 2.447 67 S HA 0.026 4.522 4.470 0.043 0.000 0.233 67 S C 1.773 176.312 174.600 -0.102 0.000 1.006 67 S CA 0.409 58.549 58.200 -0.100 0.000 0.957 67 S CB -0.443 62.693 63.200 -0.107 0.000 0.773 67 S HN 0.244 nan 8.310 nan 0.000 0.507 68 L N 0.776 121.923 121.223 -0.126 0.000 2.554 68 L HA 0.199 4.565 4.340 0.043 0.000 0.226 68 L C 2.606 179.428 176.870 -0.080 0.000 1.137 68 L CA 0.562 55.336 54.840 -0.111 0.000 0.863 68 L CB -0.326 41.647 42.059 -0.144 0.000 0.985 68 L HN 0.298 nan 8.230 nan 0.000 0.451 69 E N 1.160 121.316 120.200 -0.074 0.000 2.153 69 E HA -0.261 4.115 4.350 0.043 0.000 0.194 69 E C 1.617 178.196 176.600 -0.036 0.000 0.988 69 E CA 1.579 57.949 56.400 -0.051 0.000 0.811 69 E CB -0.030 29.642 29.700 -0.046 0.000 0.746 69 E HN 0.573 nan 8.360 nan 0.000 0.466 70 D N -0.506 119.872 120.400 -0.037 0.000 2.311 70 D HA -0.153 4.513 4.640 0.043 0.000 0.212 70 D C 1.581 177.867 176.300 -0.024 0.000 0.972 70 D CA 1.450 55.433 54.000 -0.028 0.000 0.887 70 D CB -0.363 40.421 40.800 -0.028 0.000 0.915 70 D HN 0.302 nan 8.370 nan 0.000 0.497 71 V N -3.946 115.952 119.914 -0.026 0.000 3.528 71 V HA 0.329 4.475 4.120 0.043 0.000 0.294 71 V C 0.728 176.815 176.094 -0.011 0.000 1.404 71 V CA -0.721 61.569 62.300 -0.017 0.000 1.065 71 V CB -0.554 31.260 31.823 -0.015 0.000 0.904 71 V HN -0.151 nan 8.190 nan 0.000 0.435 72 R N 2.224 122.715 120.500 -0.014 0.000 2.491 72 R HA 0.438 4.804 4.340 0.043 0.000 0.283 72 R C -0.434 175.867 176.300 0.002 0.000 1.072 72 R CA 0.149 56.249 56.100 -0.001 0.000 1.048 72 R CB 0.634 30.933 30.300 -0.002 0.000 0.983 72 R HN 0.461 nan 8.270 nan 0.000 0.450 73 K N 1.450 121.855 120.400 0.009 0.000 2.323 73 K HA 0.291 4.637 4.320 0.043 0.000 0.259 73 K C 0.260 176.878 176.600 0.030 0.000 0.947 73 K CA -0.535 55.746 56.287 -0.009 0.000 0.819 73 K CB 2.290 34.769 32.500 -0.034 0.000 1.109 73 K HN 0.687 nan 8.250 nan 0.000 0.429 74 G N 0.451 109.289 108.800 0.063 0.000 2.546 74 G HA2 0.222 4.208 3.960 0.043 0.000 0.239 74 G HA3 0.222 4.208 3.960 0.043 0.000 0.239 74 G C 0.586 175.601 174.900 0.190 0.000 1.476 74 G CA 0.321 45.513 45.100 0.152 0.000 1.064 74 G HN 0.654 nan 8.290 nan 0.000 0.561 75 S N -2.904 112.993 115.700 0.329 0.000 1.946 75 S HA 0.076 4.572 4.470 0.043 0.000 0.223 75 S C 0.165 174.923 174.600 0.263 0.000 0.832 75 S CA -0.065 58.326 58.200 0.318 0.000 1.453 75 S CB -0.147 63.145 63.200 0.154 0.000 0.947 75 S HN 0.492 nan 8.310 nan 0.000 0.408 76 E N 2.860 123.131 120.200 0.118 0.000 2.415 76 E HA 0.304 4.680 4.350 0.043 0.000 0.263 76 E C -0.169 176.325 176.600 -0.177 0.000 0.995 76 E CA 0.218 56.615 56.400 -0.006 0.000 0.915 76 E CB 0.105 29.797 29.700 -0.013 0.000 0.951 76 E HN 0.406 nan 8.360 nan 0.000 0.449 77 N N 0.621 119.240 118.700 -0.135 0.000 2.965 77 N HA -0.203 4.563 4.740 0.043 0.000 0.232 77 N C -1.045 174.316 175.510 -0.249 0.000 0.913 77 N CA 1.107 54.032 53.050 -0.207 0.000 0.981 77 N CB -1.305 37.020 38.487 -0.269 0.000 1.077 77 N HN 0.385 nan 8.380 nan 0.000 0.589 78 Y N 0.810 121.116 120.300 0.010 0.000 2.335 78 Y HA 0.628 5.204 4.550 0.044 0.000 0.323 78 Y C 1.078 176.982 175.900 0.006 0.000 1.224 78 Y CA -0.462 57.642 58.100 0.008 0.000 1.241 78 Y CB 0.834 39.300 38.460 0.009 0.000 1.235 78 Y HN 0.120 nan 8.280 nan 0.000 0.492 79 A N 2.386 125.324 122.820 0.196 0.000 2.371 79 A HA 0.409 4.755 4.320 0.043 0.000 0.257 79 A C -0.734 176.902 177.584 0.086 0.000 1.089 79 A CA -0.559 51.542 52.037 0.106 0.000 0.794 79 A CB 0.111 19.158 19.000 0.077 0.000 1.029 79 A HN 0.715 nan 8.150 nan 0.000 0.488 80 L N 2.659 123.912 121.223 0.051 0.000 2.410 80 L HA 0.494 4.860 4.340 0.043 0.000 0.273 80 L C 0.628 177.507 176.870 0.014 0.000 1.144 80 L CA 1.162 56.017 54.840 0.026 0.000 0.863 80 L CB 0.310 42.376 42.059 0.011 0.000 1.140 80 L HN 0.902 nan 8.230 nan 0.000 0.463 81 T N 0.397 114.954 114.554 0.005 0.000 2.883 81 T HA 0.626 5.002 4.350 0.043 0.000 0.296 81 T C 0.137 174.838 174.700 0.002 0.000 1.117 81 T CA -0.206 61.899 62.100 0.009 0.000 1.006 81 T CB 1.073 69.948 68.868 0.011 0.000 1.191 81 T HN 0.795 nan 8.240 nan 0.000 0.508 82 T N 0.656 115.225 114.554 0.025 0.000 2.748 82 T HA 0.166 4.542 4.350 0.043 0.000 0.304 82 T C 1.119 175.836 174.700 0.029 0.000 1.041 82 T CA -0.428 61.696 62.100 0.041 0.000 1.033 82 T CB -0.064 68.871 68.868 0.112 0.000 0.995 82 T HN 0.582 nan 8.240 nan 0.000 0.536 83 N N 0.735 119.453 118.700 0.030 0.000 2.519 83 N HA -0.085 4.681 4.740 0.043 0.000 0.186 83 N C 1.459 176.989 175.510 0.034 0.000 1.062 83 N CA 0.646 53.709 53.050 0.021 0.000 0.910 83 N CB -0.194 38.315 38.487 0.035 0.000 0.958 83 N HN 0.563 nan 8.380 nan 0.000 0.445 84 Q N -0.639 119.194 119.800 0.054 0.000 2.320 84 Q HA 0.204 4.570 4.340 0.043 0.000 0.201 84 Q C 0.893 176.915 176.000 0.038 0.000 0.910 84 Q CA 0.132 55.963 55.803 0.047 0.000 0.946 84 Q CB 0.351 29.125 28.738 0.061 0.000 1.062 84 Q HN 0.409 nan 8.270 nan 0.000 0.503 85 G N 0.368 109.187 108.800 0.032 0.000 2.143 85 G HA2 -0.246 3.740 3.960 0.043 0.000 0.249 85 G HA3 -0.246 3.740 3.960 0.043 0.000 0.249 85 G C 0.150 175.075 174.900 0.041 0.000 0.981 85 G CA 0.218 45.332 45.100 0.023 0.000 0.665 85 G HN 0.231 nan 8.290 nan 0.000 0.528 86 V N 1.788 121.743 119.914 0.069 0.000 2.461 86 V HA 0.345 4.491 4.120 0.043 0.000 0.275 86 V C 1.311 177.445 176.094 0.067 0.000 1.047 86 V CA -0.519 61.834 62.300 0.089 0.000 0.955 86 V CB 1.082 33.007 31.823 0.170 0.000 0.988 86 V HN 0.397 nan 8.190 nan 0.000 0.471 87 R N 4.436 124.968 120.500 0.053 0.000 2.537 87 R HA 0.348 4.714 4.340 0.043 0.000 0.280 87 R C -0.506 175.809 176.300 0.024 0.000 1.058 87 R CA -0.077 56.045 56.100 0.036 0.000 1.057 87 R CB 0.508 30.829 30.300 0.035 0.000 0.973 87 R HN 0.579 nan 8.270 nan 0.000 0.438 88 I N 2.260 122.832 120.570 0.003 0.000 2.331 88 I HA 0.105 4.301 4.170 0.043 0.000 0.292 88 I C 1.030 177.136 176.117 -0.018 0.000 0.998 88 I CA 0.032 61.317 61.300 -0.025 0.000 1.267 88 I CB 1.831 39.805 38.000 -0.043 0.000 1.386 88 I HN 0.773 nan 8.210 nan 0.000 0.476 89 A N 4.211 127.017 122.820 -0.023 0.000 1.911 89 A HA -0.003 4.343 4.320 0.043 0.000 0.212 89 A C 0.696 178.265 177.584 -0.025 0.000 1.189 89 A CA 0.961 52.988 52.037 -0.017 0.000 0.639 89 A CB 0.037 19.030 19.000 -0.011 0.000 0.839 89 A HN 0.681 nan 8.150 nan 0.000 0.449 90 D N -0.642 119.735 120.400 -0.039 0.000 2.469 90 D HA 0.356 5.022 4.640 0.043 0.000 0.251 90 D C -1.376 174.893 176.300 -0.053 0.000 1.173 90 D CA -0.366 53.609 54.000 -0.041 0.000 0.882 90 D CB 1.294 42.070 40.800 -0.039 0.000 1.129 90 D HN 0.078 nan 8.370 nan 0.000 0.549 91 D N 2.118 122.490 120.400 -0.046 0.000 2.427 91 D HA 0.066 4.732 4.640 0.043 0.000 0.224 91 D C 0.528 176.797 176.300 -0.052 0.000 1.157 91 D CA 0.170 54.138 54.000 -0.054 0.000 0.828 91 D CB 0.493 41.267 40.800 -0.044 0.000 0.974 91 D HN 0.191 nan 8.370 nan 0.000 0.498 92 Q N -0.598 119.173 119.800 -0.048 0.000 2.280 92 Q HA 0.283 4.649 4.340 0.043 0.000 0.228 92 Q C -0.183 175.788 176.000 -0.048 0.000 0.857 92 Q CA 0.202 55.977 55.803 -0.046 0.000 0.939 92 Q CB 0.782 29.498 28.738 -0.037 0.000 1.114 92 Q HN 0.207 nan 8.270 nan 0.000 0.514 93 N N 0.042 118.711 118.700 -0.052 0.000 2.277 93 N HA 0.308 5.074 4.740 0.043 0.000 0.286 93 N C -0.942 174.534 175.510 -0.056 0.000 1.140 93 N CA -0.232 52.788 53.050 -0.049 0.000 0.799 93 N CB 2.139 40.602 38.487 -0.040 0.000 1.596 93 N HN -0.174 nan 8.380 nan 0.000 0.473 94 S N 0.732 116.402 115.700 -0.051 0.000 2.614 94 S HA 0.252 4.748 4.470 0.043 0.000 0.265 94 S C 0.173 174.748 174.600 -0.042 0.000 1.303 94 S CA -0.537 57.632 58.200 -0.051 0.000 1.000 94 S CB 0.644 63.820 63.200 -0.040 0.000 0.935 94 S HN 0.404 nan 8.310 nan 0.000 0.551 95 L N 3.263 124.461 121.223 -0.041 0.000 2.313 95 L HA 0.428 4.793 4.340 0.043 0.000 0.282 95 L C 0.065 176.927 176.870 -0.013 0.000 1.092 95 L CA 0.267 55.091 54.840 -0.026 0.000 0.831 95 L CB -0.107 41.940 42.059 -0.020 0.000 1.159 95 L HN 0.715 nan 8.230 nan 0.000 0.442 96 R N 4.225 124.719 120.500 -0.009 0.000 2.867 96 R HA 0.868 5.233 4.340 0.043 0.000 0.268 96 R C -1.053 175.246 176.300 -0.001 0.000 1.014 96 R CA -0.826 55.271 56.100 -0.005 0.000 0.946 96 R CB 1.167 31.462 30.300 -0.008 0.000 1.208 96 R HN 0.578 nan 8.270 nan 0.000 0.477 97 A N 1.320 124.141 122.820 0.001 0.000 2.807 97 A HA 0.564 4.910 4.320 0.043 0.000 0.307 97 A C 0.633 178.217 177.584 0.000 0.000 1.532 97 A CA 0.336 52.375 52.037 0.003 0.000 1.215 97 A CB -1.027 17.975 19.000 0.005 0.000 1.127 97 A HN 1.225 nan 8.150 nan 0.000 0.543 98 G N 1.079 109.879 108.800 -0.001 0.000 2.712 98 G HA2 0.015 4.001 3.960 0.043 0.000 0.686 98 G HA3 0.015 4.001 3.960 0.043 0.000 0.686 98 G C 0.696 175.593 174.900 -0.005 0.000 1.321 98 G CA 0.138 45.237 45.100 -0.002 0.000 0.813 98 G HN 1.840 nan 8.290 nan 0.000 0.599 99 S N -0.448 115.248 115.700 -0.006 0.000 2.555 99 S HA 0.032 4.528 4.470 0.043 0.000 0.230 99 S C 1.508 176.103 174.600 -0.009 0.000 0.978 99 S CA 1.335 59.529 58.200 -0.009 0.000 0.934 99 S CB 0.063 63.257 63.200 -0.009 0.000 0.766 99 S HN 0.760 nan 8.310 nan 0.000 0.533 100 R N 0.684 121.179 120.500 -0.007 0.000 2.613 100 R HA 0.350 4.716 4.340 0.043 0.000 0.361 100 R C 0.878 177.174 176.300 -0.006 0.000 1.072 100 R CA 0.053 56.149 56.100 -0.007 0.000 1.089 100 R CB 0.860 31.156 30.300 -0.006 0.000 1.343 100 R HN 0.424 nan 8.270 nan 0.000 0.571 101 G N 1.700 110.497 108.800 -0.005 0.000 2.642 101 G HA2 0.403 4.389 3.960 0.043 0.000 0.291 101 G HA3 0.403 4.389 3.960 0.043 0.000 0.291 101 G C -2.423 172.475 174.900 -0.004 0.000 1.345 101 G CA -1.159 43.939 45.100 -0.003 0.000 1.043 101 G HN -0.120 nan 8.290 nan 0.000 0.528 102 P HA 0.219 nan 4.420 nan 0.000 0.274 102 P C -0.243 177.056 177.300 -0.001 0.000 1.231 102 P CA -0.041 63.059 63.100 -0.001 0.000 0.790 102 P CB 0.827 32.528 31.700 0.002 0.000 0.951 103 T N 2.610 117.163 114.554 -0.002 0.000 2.884 103 T HA 0.267 4.643 4.350 0.043 0.000 0.298 103 T C 0.472 175.175 174.700 0.006 0.000 0.998 103 T CA -0.107 61.992 62.100 -0.002 0.000 1.124 103 T CB -0.012 68.853 68.868 -0.006 0.000 0.931 103 T HN 0.189 nan 8.240 nan 0.000 0.531 104 L N 3.603 124.831 121.223 0.009 0.000 2.325 104 L HA 0.321 4.687 4.340 0.043 0.000 0.279 104 L C 1.351 178.239 176.870 0.029 0.000 1.054 104 L CA -0.813 54.039 54.840 0.019 0.000 0.804 104 L CB 1.032 43.105 42.059 0.023 0.000 1.200 104 L HN 0.505 nan 8.230 nan 0.000 0.436 105 L N 2.321 123.564 121.223 0.034 0.000 2.191 105 L HA -0.188 4.178 4.340 0.043 0.000 0.212 105 L C 2.315 179.225 176.870 0.067 0.000 1.103 105 L CA 1.663 56.530 54.840 0.044 0.000 0.769 105 L CB -0.611 41.472 42.059 0.039 0.000 0.908 105 L HN 0.788 nan 8.230 nan 0.000 0.438 106 E N -1.445 118.798 120.200 0.073 0.000 2.515 106 E HA -0.188 4.188 4.350 0.043 0.000 0.201 106 E C 0.187 176.893 176.600 0.175 0.000 1.071 106 E CA 0.307 56.778 56.400 0.119 0.000 0.880 106 E CB -0.566 29.196 29.700 0.103 0.000 0.828 106 E HN 0.384 nan 8.360 nan 0.000 0.540 107 D N 1.098 121.557 120.400 0.098 0.000 2.455 107 D HA -0.037 4.629 4.640 0.043 0.000 0.234 107 D C 0.421 176.746 176.300 0.042 0.000 1.224 107 D CA -0.506 53.512 54.000 0.030 0.000 0.999 107 D CB -0.101 40.682 40.800 -0.028 0.000 1.072 107 D HN 0.292 nan 8.370 nan 0.000 0.514 108 F N 2.210 122.168 119.950 0.014 0.000 2.456 108 F HA 0.098 4.649 4.527 0.040 0.000 0.298 108 F C 1.609 177.421 175.800 0.021 0.000 1.104 108 F CA 0.106 58.118 58.000 0.019 0.000 1.435 108 F CB -0.619 38.392 39.000 0.018 0.000 1.078 108 F HN 0.182 nan 8.300 nan 0.000 0.546 109 I N 0.480 120.619 120.570 -0.718 0.000 2.202 109 I HA -0.202 3.994 4.170 0.043 0.000 0.242 109 I C 2.502 178.505 176.117 -0.189 0.000 1.091 109 I CA 1.143 62.147 61.300 -0.492 0.000 1.368 109 I CB -0.568 37.088 38.000 -0.573 0.000 1.058 109 I HN 0.281 nan 8.210 nan 0.000 0.410 110 L N 1.148 122.275 121.223 -0.161 0.000 2.012 110 L HA -0.212 4.154 4.340 0.043 0.000 0.210 110 L C 2.640 179.499 176.870 -0.018 0.000 1.073 110 L CA 1.902 56.696 54.840 -0.077 0.000 0.748 110 L CB -0.539 41.481 42.059 -0.064 0.000 0.891 110 L HN 0.049 nan 8.230 nan 0.000 0.431 111 R N -0.683 119.825 120.500 0.014 0.000 2.092 111 R HA -0.152 4.214 4.340 0.043 0.000 0.231 111 R C 2.313 178.668 176.300 0.091 0.000 1.119 111 R CA 1.374 57.511 56.100 0.062 0.000 0.970 111 R CB -0.337 30.016 30.300 0.087 0.000 0.864 111 R HN 0.587 nan 8.270 nan 0.000 0.440 112 E N 1.227 121.484 120.200 0.096 0.000 2.051 112 E HA -0.245 4.131 4.350 0.043 0.000 0.192 112 E C 1.906 178.579 176.600 0.123 0.000 0.991 112 E CA 1.274 57.747 56.400 0.123 0.000 0.799 112 E CB 0.102 29.879 29.700 0.129 0.000 0.748 112 E HN 0.138 nan 8.360 nan 0.000 0.449 113 K N 0.191 120.633 120.400 0.069 0.000 2.057 113 K HA -0.134 4.212 4.320 0.043 0.000 0.207 113 K C 2.063 178.733 176.600 0.118 0.000 1.049 113 K CA 1.240 57.568 56.287 0.068 0.000 0.931 113 K CB 0.022 32.522 32.500 -0.001 0.000 0.714 113 K HN 0.165 nan 8.250 nan 0.000 0.440 114 I N 1.010 121.633 120.570 0.088 0.000 2.500 114 I HA -0.137 4.059 4.170 0.043 0.000 0.252 114 I C 2.030 178.251 176.117 0.173 0.000 1.142 114 I CA 1.114 62.481 61.300 0.112 0.000 1.451 114 I CB -1.264 36.765 38.000 0.049 0.000 1.093 114 I HN 0.183 nan 8.210 nan 0.000 0.430 115 T N -0.181 114.471 114.554 0.162 0.000 2.746 115 T HA -0.209 4.167 4.350 0.043 0.000 0.267 115 T C 1.959 176.799 174.700 0.233 0.000 1.039 115 T CA 1.370 63.591 62.100 0.202 0.000 1.142 115 T CB -0.390 68.602 68.868 0.207 0.000 0.866 115 T HN 0.325 nan 8.240 nan 0.000 0.444 116 H N -0.007 119.156 119.070 0.156 0.000 2.321 116 H HA -0.064 4.515 4.556 0.038 0.000 0.300 116 H C 2.190 177.578 175.328 0.099 0.000 1.087 116 H CA 1.560 57.685 56.048 0.130 0.000 1.319 116 H CB -0.489 29.329 29.762 0.093 0.000 1.379 116 H HN 0.387 nan 8.280 nan 0.000 0.501 117 F N 2.107 122.119 119.950 0.102 0.000 2.120 117 F HA -0.230 4.239 4.527 -0.097 0.000 0.300 117 F C 1.958 177.699 175.800 -0.098 0.000 1.095 117 F CA 1.892 59.897 58.000 0.007 0.000 1.249 117 F CB -0.308 38.691 39.000 -0.001 0.000 0.995 117 F HN 0.085 nan 8.300 nan 0.000 0.480 118 D N -1.293 119.036 120.400 -0.119 0.000 2.309 118 D HA -0.130 4.535 4.640 0.043 0.000 0.212 118 D C 1.062 176.946 176.300 -0.695 0.000 0.968 118 D CA 1.150 54.900 54.000 -0.417 0.000 0.882 118 D CB -0.321 40.221 40.800 -0.431 0.000 0.918 118 D HN 0.492 nan 8.370 nan 0.000 0.503 119 H N -0.657 118.290 119.070 -0.204 0.000 2.575 119 H HA 0.221 4.861 4.556 0.142 0.000 0.256 119 H C 0.891 176.055 175.328 -0.273 0.000 1.162 119 H CA -0.134 55.791 56.048 -0.204 0.000 0.969 119 H CB 0.519 30.177 29.762 -0.173 0.000 1.796 119 H HN 0.235 nan 8.280 nan 0.000 0.607 120 E N 0.601 120.631 120.200 -0.283 0.000 2.204 120 E HA -0.037 4.339 4.350 0.043 0.000 0.194 120 E C 0.467 176.904 176.600 -0.271 0.000 0.989 120 E CA 0.531 56.738 56.400 -0.320 0.000 0.824 120 E CB 0.478 29.964 29.700 -0.356 0.000 0.756 120 E HN 0.119 nan 8.360 nan 0.000 0.477 121 R N 1.236 121.637 120.500 -0.165 0.000 2.357 121 R HA 0.343 4.709 4.340 0.043 0.000 0.296 121 R C 0.387 176.716 176.300 0.049 0.000 1.052 121 R CA -0.273 55.800 56.100 -0.044 0.000 0.988 121 R CB 0.631 30.900 30.300 -0.053 0.000 1.025 121 R HN 0.169 nan 8.270 nan 0.000 0.469 122 I N -0.774 119.891 120.570 0.158 0.000 2.910 122 I HA 0.599 4.795 4.170 0.043 0.000 0.310 122 I C -2.157 174.020 176.117 0.100 0.000 1.043 122 I CA -2.917 58.466 61.300 0.139 0.000 1.053 122 I CB 1.702 39.818 38.000 0.193 0.000 1.242 122 I HN 0.237 nan 8.210 nan 0.000 0.452 123 P HA 0.070 nan 4.420 nan 0.000 0.266 123 P C -0.938 176.394 177.300 0.053 0.000 1.195 123 P CA -0.004 63.123 63.100 0.045 0.000 0.768 123 P CB 0.406 32.121 31.700 0.025 0.000 0.838 124 E N 2.526 122.760 120.200 0.056 0.000 2.345 124 E HA 0.257 4.633 4.350 0.043 0.000 0.259 124 E C -0.470 176.160 176.600 0.051 0.000 1.117 124 E CA -0.938 55.502 56.400 0.067 0.000 0.913 124 E CB 0.667 30.412 29.700 0.075 0.000 1.057 124 E HN 0.245 nan 8.360 nan 0.000 0.432 125 R N 0.744 121.281 120.500 0.061 0.000 2.640 125 R HA -0.016 4.350 4.340 0.043 0.000 0.270 125 R C 1.232 177.572 176.300 0.066 0.000 1.024 125 R CA -0.382 55.752 56.100 0.057 0.000 1.085 125 R CB 0.228 30.582 30.300 0.091 0.000 0.963 125 R HN 0.572 nan 8.270 nan 0.000 0.426 126 I N 1.796 122.400 120.570 0.056 0.000 2.286 126 I HA -0.133 4.063 4.170 0.043 0.000 0.248 126 I C 1.187 177.362 176.117 0.098 0.000 1.115 126 I CA 1.492 62.834 61.300 0.070 0.000 1.392 126 I CB -1.019 37.028 38.000 0.078 0.000 1.065 126 I HN 0.410 nan 8.210 nan 0.000 0.418 127 V N -3.328 116.679 119.914 0.155 0.000 3.040 127 V HA 0.516 4.662 4.120 0.043 0.000 0.312 127 V C 0.341 176.614 176.094 0.299 0.000 1.115 127 V CA -0.851 61.571 62.300 0.203 0.000 0.998 127 V CB 1.839 33.860 31.823 0.331 0.000 1.042 127 V HN 0.427 nan 8.190 nan 0.000 0.433 128 H N 0.623 119.766 119.070 0.121 0.000 2.862 128 H HA -0.218 4.364 4.556 0.043 0.000 0.290 128 H C 1.515 176.898 175.328 0.092 0.000 1.211 128 H CA 0.800 56.912 56.048 0.107 0.000 1.140 128 H CB -1.232 28.583 29.762 0.089 0.000 1.341 128 H HN 1.182 nan 8.280 nan 0.000 0.392 129 A N 0.690 123.605 122.820 0.159 0.000 2.015 129 A HA -0.083 4.263 4.320 0.043 0.000 0.219 129 A C 1.657 179.337 177.584 0.160 0.000 1.163 129 A CA 1.256 53.376 52.037 0.139 0.000 0.646 129 A CB -0.040 19.019 19.000 0.098 0.000 0.806 129 A HN 0.269 nan 8.150 nan 0.000 0.448 130 R N -0.018 120.577 120.500 0.158 0.000 2.207 130 R HA 0.536 4.902 4.340 0.043 0.000 0.334 130 R C -0.107 176.325 176.300 0.221 0.000 1.013 130 R CA 0.666 56.878 56.100 0.187 0.000 0.858 130 R CB 0.510 30.903 30.300 0.155 0.000 1.094 130 R HN 0.313 nan 8.270 nan 0.000 0.457 131 G N 0.709 109.666 108.800 0.263 0.000 2.623 131 G HA2 0.525 4.511 3.960 0.043 0.000 0.290 131 G HA3 0.525 4.511 3.960 0.043 0.000 0.290 131 G C -1.655 173.413 174.900 0.280 0.000 1.437 131 G CA -0.636 44.590 45.100 0.210 0.000 0.798 131 G HN 0.512 nan 8.290 nan 0.000 0.488 132 S N -1.187 114.625 115.700 0.188 0.000 2.548 132 S HA 0.876 5.372 4.470 0.043 0.000 0.276 132 S C -0.300 174.324 174.600 0.041 0.000 1.129 132 S CA -0.119 58.246 58.200 0.275 0.000 0.931 132 S CB 1.747 65.217 63.200 0.450 0.000 1.068 132 S HN 1.676 nan 8.310 nan 0.000 0.480 133 A N 1.433 124.232 122.820 -0.036 0.000 2.454 133 A HA 1.019 5.365 4.320 0.043 0.000 0.302 133 A C -0.858 176.525 177.584 -0.335 0.000 1.079 133 A CA -0.723 51.069 52.037 -0.409 0.000 0.731 133 A CB 1.613 20.239 19.000 -0.623 0.000 1.299 133 A HN 1.338 nan 8.150 nan 0.000 0.413 134 A N 0.733 123.213 122.820 -0.566 0.000 2.587 134 A HA 0.741 5.087 4.320 0.043 0.000 0.293 134 A C -0.918 176.462 177.584 -0.340 0.000 1.087 134 A CA -0.669 51.187 52.037 -0.301 0.000 0.692 134 A CB 0.749 19.669 19.000 -0.133 0.000 1.291 134 A HN 0.885 nan 8.150 nan 0.000 0.407 135 H N -0.210 118.893 119.070 0.054 0.000 2.562 135 H HA 0.583 5.164 4.556 0.043 0.000 0.352 135 H C 0.640 175.974 175.328 0.010 0.000 1.125 135 H CA 1.116 57.245 56.048 0.135 0.000 1.379 135 H CB 1.642 31.475 29.762 0.119 0.000 1.464 135 H HN 1.051 nan 8.280 nan 0.000 0.563 136 G N 0.923 109.819 108.800 0.160 0.000 2.650 136 G HA2 0.400 4.385 3.960 0.043 0.000 0.310 136 G HA3 0.400 4.385 3.960 0.043 0.000 0.310 136 G C -1.960 173.079 174.900 0.232 0.000 1.270 136 G CA -0.692 44.473 45.100 0.107 0.000 0.810 136 G HN 0.627 nan 8.290 nan 0.000 0.493 137 Y N -1.903 118.431 120.300 0.057 0.000 2.625 137 Y HA 0.849 5.424 4.550 0.043 0.000 0.338 137 Y C -1.758 174.276 175.900 0.223 0.000 1.123 137 Y CA -1.968 56.211 58.100 0.131 0.000 1.046 137 Y CB 2.031 40.541 38.460 0.083 0.000 1.299 137 Y HN 0.759 nan 8.280 nan 0.000 0.464 138 F N 1.672 121.743 119.950 0.201 0.000 2.576 138 F HA 0.678 5.231 4.527 0.043 0.000 0.313 138 F C -1.337 174.644 175.800 0.302 0.000 1.078 138 F CA -0.603 57.524 58.000 0.213 0.000 0.921 138 F CB 2.431 41.700 39.000 0.449 0.000 1.232 138 F HN 0.776 nan 8.300 nan 0.000 0.459 139 Q N 6.550 125.824 119.800 -0.876 0.000 2.289 139 Q HA 0.466 4.832 4.340 0.043 0.000 0.270 139 Q C -2.886 172.478 176.000 -1.061 0.000 1.038 139 Q CA -2.407 53.030 55.803 -0.610 0.000 0.812 139 Q CB 3.175 31.816 28.738 -0.162 0.000 1.300 139 Q HN 0.354 nan 8.270 nan 0.000 0.427 140 P HA 0.062 nan 4.420 nan 0.000 0.281 140 P C -0.434 176.721 177.300 -0.242 0.000 1.249 140 P CA 0.064 62.917 63.100 -0.412 0.000 0.810 140 P CB 0.671 32.316 31.700 -0.092 0.000 1.008 141 Y N 0.939 121.180 120.300 -0.099 0.000 2.263 141 Y HA -0.079 4.497 4.550 0.044 0.000 0.292 141 Y C 1.532 177.405 175.900 -0.045 0.000 1.130 141 Y CA 0.589 58.651 58.100 -0.063 0.000 1.179 141 Y CB 0.157 38.587 38.460 -0.051 0.000 0.998 141 Y HN 0.367 nan 8.280 nan 0.000 0.532 142 K N -1.020 119.442 120.400 0.103 0.000 2.522 142 K HA 0.406 4.752 4.320 0.043 0.000 0.275 142 K C -0.877 175.726 176.600 0.005 0.000 1.006 142 K CA -0.970 55.345 56.287 0.046 0.000 0.890 142 K CB 1.563 34.090 32.500 0.046 0.000 1.475 142 K HN -0.244 nan 8.250 nan 0.000 0.441 143 S N 0.708 116.408 115.700 0.001 0.000 2.537 143 S HA 0.125 4.621 4.470 0.043 0.000 0.286 143 S C 0.415 175.000 174.600 -0.025 0.000 1.299 143 S CA -0.592 57.598 58.200 -0.016 0.000 1.067 143 S CB -0.226 62.969 63.200 -0.009 0.000 0.864 143 S HN 0.541 nan 8.310 nan 0.000 0.494 144 L N 4.861 126.057 121.223 -0.045 0.000 2.848 144 L HA 0.150 4.516 4.340 0.043 0.000 0.240 144 L C 1.986 178.835 176.870 -0.034 0.000 1.232 144 L CA -0.074 54.745 54.840 -0.035 0.000 1.031 144 L CB -0.223 41.817 42.059 -0.032 0.000 1.338 144 L HN 0.850 nan 8.230 nan 0.000 0.509 145 S N -1.859 113.821 115.700 -0.035 0.000 2.447 145 S HA -0.164 4.332 4.470 0.043 0.000 0.233 145 S C 1.272 175.853 174.600 -0.032 0.000 1.006 145 S CA 0.927 59.105 58.200 -0.037 0.000 0.957 145 S CB -0.127 63.056 63.200 -0.028 0.000 0.773 145 S HN 0.393 nan 8.310 nan 0.000 0.507 146 D N 2.151 122.537 120.400 -0.023 0.000 2.218 146 D HA -0.023 4.643 4.640 0.043 0.000 0.204 146 D C 1.795 178.076 176.300 -0.031 0.000 0.976 146 D CA 1.466 55.453 54.000 -0.023 0.000 0.853 146 D CB -0.224 40.568 40.800 -0.013 0.000 0.939 146 D HN 0.817 nan 8.370 nan 0.000 0.481 147 I N -4.356 116.197 120.570 -0.029 0.000 4.323 147 I HA 0.227 4.423 4.170 0.043 0.000 0.328 147 I C 0.417 176.494 176.117 -0.067 0.000 1.310 147 I CA -0.040 61.236 61.300 -0.040 0.000 1.186 147 I CB 1.187 39.185 38.000 -0.003 0.000 1.130 147 I HN -0.248 nan 8.210 nan 0.000 0.411 148 T N 1.671 116.187 114.554 -0.064 0.000 2.956 148 T HA 0.318 4.694 4.350 0.043 0.000 0.312 148 T C -0.088 174.557 174.700 -0.093 0.000 1.151 148 T CA -0.700 61.343 62.100 -0.096 0.000 1.024 148 T CB 1.802 70.603 68.868 -0.111 0.000 1.140 148 T HN 0.417 nan 8.240 nan 0.000 0.473 149 K N 2.415 122.758 120.400 -0.094 0.000 2.437 149 K HA 0.558 4.904 4.320 0.043 0.000 0.198 149 K C 0.687 177.245 176.600 -0.070 0.000 1.024 149 K CA -0.368 55.876 56.287 -0.072 0.000 1.148 149 K CB 0.224 32.688 32.500 -0.060 0.000 0.860 149 K HN 0.478 nan 8.250 nan 0.000 0.515 150 A N 2.049 124.803 122.820 -0.111 0.000 2.522 150 A HA -0.029 4.317 4.320 0.043 0.000 0.256 150 A C 0.519 178.054 177.584 -0.082 0.000 1.086 150 A CA -0.057 51.921 52.037 -0.098 0.000 0.763 150 A CB 0.185 19.057 19.000 -0.213 0.000 1.024 150 A HN 0.451 nan 8.150 nan 0.000 0.502 151 D N 2.175 122.602 120.400 0.044 0.000 2.144 151 D HA -0.216 4.450 4.640 0.043 0.000 0.199 151 D C 1.373 177.738 176.300 0.109 0.000 0.984 151 D CA 2.111 56.153 54.000 0.070 0.000 0.834 151 D CB -0.249 40.617 40.800 0.112 0.000 0.955 151 D HN 0.726 nan 8.370 nan 0.000 0.465 152 F N -0.508 119.460 119.950 0.031 0.000 2.494 152 F HA 0.095 4.649 4.527 0.044 0.000 0.298 152 F C 1.080 176.962 175.800 0.137 0.000 1.106 152 F CA 0.492 58.550 58.000 0.096 0.000 1.452 152 F CB -0.253 38.801 39.000 0.089 0.000 1.085 152 F HN -0.052 nan 8.300 nan 0.000 0.569 153 L N 0.845 121.764 121.223 -0.507 0.000 2.769 153 L HA 0.192 4.558 4.340 0.043 0.000 0.240 153 L C 1.794 178.570 176.870 -0.158 0.000 1.163 153 L CA 0.331 54.932 54.840 -0.397 0.000 0.962 153 L CB -0.087 41.616 42.059 -0.593 0.000 1.258 153 L HN 0.331 nan 8.230 nan 0.000 0.513 154 S N -2.688 112.965 115.700 -0.078 0.000 2.524 154 S HA 0.078 4.574 4.470 0.043 0.000 0.216 154 S C 0.351 174.946 174.600 -0.008 0.000 0.987 154 S CA -0.196 57.981 58.200 -0.038 0.000 0.909 154 S CB 0.261 63.452 63.200 -0.014 0.000 0.781 154 S HN 0.316 nan 8.310 nan 0.000 0.521 155 D N 0.774 121.180 120.400 0.009 0.000 2.861 155 D HA 0.294 4.960 4.640 0.043 0.000 0.216 155 D C -2.556 173.761 176.300 0.028 0.000 1.323 155 D CA -1.670 52.343 54.000 0.022 0.000 0.917 155 D CB 2.205 43.027 40.800 0.036 0.000 1.582 155 D HN -0.143 nan 8.370 nan 0.000 0.576 156 P HA -0.052 nan 4.420 nan 0.000 0.225 156 P C 0.508 177.826 177.300 0.031 0.000 1.148 156 P CA 0.523 63.636 63.100 0.022 0.000 0.779 156 P CB 0.532 32.254 31.700 0.036 0.000 0.780 157 N N -0.175 118.547 118.700 0.037 0.000 2.412 157 N HA -0.015 4.751 4.740 0.043 0.000 0.184 157 N C 0.744 176.289 175.510 0.058 0.000 1.101 157 N CA 0.421 53.496 53.050 0.042 0.000 0.881 157 N CB -0.131 38.377 38.487 0.034 0.000 0.969 157 N HN 0.273 nan 8.380 nan 0.000 0.459 158 K N 1.538 121.982 120.400 0.075 0.000 2.316 158 K HA 0.170 4.516 4.320 0.043 0.000 0.289 158 K C -0.388 176.307 176.600 0.158 0.000 1.070 158 K CA -0.361 55.994 56.287 0.114 0.000 0.928 158 K CB 0.331 32.911 32.500 0.134 0.000 1.039 158 K HN 0.048 nan 8.250 nan 0.000 0.480 159 I N 1.790 122.455 120.570 0.157 0.000 2.359 159 I HA 0.303 4.499 4.170 0.043 0.000 0.294 159 I C -0.889 175.397 176.117 0.281 0.000 0.987 159 I CA 0.212 61.640 61.300 0.213 0.000 1.225 159 I CB 2.109 40.196 38.000 0.144 0.000 1.366 159 I HN 0.350 nan 8.210 nan 0.000 0.466 160 T N 8.020 122.825 114.554 0.418 0.000 2.791 160 T HA 0.494 4.870 4.350 0.043 0.000 0.288 160 T C -2.562 172.393 174.700 0.426 0.000 0.999 160 T CA -1.048 61.321 62.100 0.448 0.000 0.952 160 T CB 1.334 70.570 68.868 0.614 0.000 0.938 160 T HN 0.460 nan 8.240 nan 0.000 0.444 161 P HA 0.300 nan 4.420 nan 0.000 0.272 161 P C -0.720 176.813 177.300 0.388 0.000 1.223 161 P CA -0.441 62.847 63.100 0.313 0.000 0.784 161 P CB 0.602 32.410 31.700 0.181 0.000 0.923 162 V N -0.727 119.361 119.914 0.290 0.000 3.130 162 V HA 0.728 4.874 4.120 0.043 0.000 0.310 162 V C -1.366 174.876 176.094 0.247 0.000 1.158 162 V CA -0.921 61.454 62.300 0.125 0.000 1.029 162 V CB 2.258 33.935 31.823 -0.243 0.000 1.057 162 V HN 0.324 nan 8.190 nan 0.000 0.436 163 F N 1.852 121.782 119.950 -0.032 0.000 2.539 163 F HA 0.850 5.403 4.527 0.043 0.000 0.318 163 F C -0.921 174.787 175.800 -0.153 0.000 1.135 163 F CA -0.831 57.093 58.000 -0.127 0.000 0.915 163 F CB 1.946 40.903 39.000 -0.071 0.000 1.176 163 F HN 0.519 nan 8.300 nan 0.000 0.440 164 V N 6.681 126.118 119.914 -0.795 0.000 2.604 164 V HA 0.573 4.719 4.120 0.043 0.000 0.305 164 V C -0.669 174.769 176.094 -1.092 0.000 1.043 164 V CA -0.829 60.953 62.300 -0.864 0.000 0.888 164 V CB 2.023 33.264 31.823 -0.970 0.000 0.995 164 V HN 0.736 nan 8.190 nan 0.000 0.429 165 R N 3.413 123.260 120.500 -1.089 0.000 2.437 165 R HA 0.642 5.008 4.340 0.043 0.000 0.310 165 R C -1.635 174.075 176.300 -0.984 0.000 0.955 165 R CA -0.402 55.154 56.100 -0.906 0.000 0.851 165 R CB 1.206 31.135 30.300 -0.619 0.000 1.161 165 R HN 0.559 nan 8.270 nan 0.000 0.446 166 F N 1.586 121.120 119.950 -0.694 0.000 2.470 166 F HA 0.548 5.100 4.527 0.043 0.000 0.329 166 F C 0.393 175.838 175.800 -0.591 0.000 1.072 166 F CA -0.288 57.184 58.000 -0.881 0.000 0.989 166 F CB 2.231 40.204 39.000 -1.711 0.000 1.193 166 F HN 0.595 nan 8.300 nan 0.000 0.481 167 S N -1.178 114.444 115.700 -0.130 0.000 2.615 167 S HA 0.606 5.102 4.470 0.043 0.000 0.269 167 S C -0.602 174.145 174.600 0.245 0.000 1.161 167 S CA -0.849 57.428 58.200 0.129 0.000 0.817 167 S CB 1.301 64.620 63.200 0.199 0.000 1.131 167 S HN 0.754 nan 8.310 nan 0.000 0.467 168 T N -1.435 113.261 114.554 0.237 0.000 2.865 168 T HA 0.693 5.069 4.350 0.043 0.000 0.302 168 T C 0.785 175.464 174.700 -0.035 0.000 1.078 168 T CA -0.003 62.196 62.100 0.164 0.000 0.942 168 T CB 0.283 69.249 68.868 0.164 0.000 1.387 168 T HN 0.668 nan 8.240 nan 0.000 0.557 169 V N -0.272 119.573 119.914 -0.114 0.000 3.029 169 V HA 0.131 4.277 4.120 0.043 0.000 0.230 169 V C 2.742 178.764 176.094 -0.119 0.000 1.254 169 V CA 0.278 62.380 62.300 -0.330 0.000 1.276 169 V CB -0.244 31.480 31.823 -0.166 0.000 1.080 169 V HN 0.859 nan 8.190 nan 0.000 0.495 170 Q N 1.048 120.815 119.800 -0.054 0.000 2.020 170 Q HA 0.038 4.404 4.340 0.043 0.000 0.198 170 Q C 1.262 177.242 176.000 -0.034 0.000 0.974 170 Q CA 1.577 57.346 55.803 -0.056 0.000 0.829 170 Q CB -0.305 28.386 28.738 -0.079 0.000 0.894 170 Q HN 0.587 nan 8.270 nan 0.000 0.433 171 G N -0.413 108.380 108.800 -0.011 0.000 2.599 171 G HA2 0.421 4.407 3.960 0.043 0.000 0.264 171 G HA3 0.421 4.407 3.960 0.043 0.000 0.264 171 G C 0.044 174.953 174.900 0.014 0.000 1.200 171 G CA 0.024 45.120 45.100 -0.007 0.000 0.896 171 G HN 0.350 nan 8.290 nan 0.000 0.536 172 G N -1.418 107.387 108.800 0.008 0.000 2.621 172 G HA2 0.478 4.464 3.960 0.043 0.000 0.271 172 G HA3 0.478 4.464 3.960 0.043 0.000 0.271 172 G C 1.300 176.231 174.900 0.052 0.000 1.236 172 G CA 0.443 45.558 45.100 0.025 0.000 0.958 172 G HN 1.052 nan 8.290 nan 0.000 0.512 173 A N -0.824 122.038 122.820 0.069 0.000 2.070 173 A HA 0.148 4.494 4.320 0.043 0.000 0.220 173 A C 2.112 179.737 177.584 0.067 0.000 1.159 173 A CA 1.911 54.010 52.037 0.103 0.000 0.656 173 A CB -0.295 18.783 19.000 0.131 0.000 0.800 173 A HN 1.139 nan 8.150 nan 0.000 0.453 174 G N -0.180 108.639 108.800 0.032 0.000 3.605 174 G HA2 0.361 4.347 3.960 0.043 0.000 0.277 174 G HA3 0.361 4.347 3.960 0.043 0.000 0.277 174 G C 0.591 175.491 174.900 0.000 0.000 1.093 174 G CA 0.642 45.744 45.100 0.004 0.000 0.821 174 G HN 0.635 nan 8.290 nan 0.000 0.532 175 S N -0.220 115.489 115.700 0.015 0.000 2.661 175 S HA 0.757 5.253 4.470 0.043 0.000 0.265 175 S C 0.459 175.071 174.600 0.020 0.000 1.225 175 S CA -0.071 58.134 58.200 0.008 0.000 0.986 175 S CB 1.655 64.861 63.200 0.009 0.000 1.008 175 S HN 0.586 nan 8.310 nan 0.000 0.565 176 A N 0.273 123.099 122.820 0.010 0.000 2.302 176 A HA 0.434 4.780 4.320 0.043 0.000 0.285 176 A C 0.613 178.212 177.584 0.024 0.000 1.105 176 A CA -0.607 51.431 52.037 0.001 0.000 0.816 176 A CB -0.050 18.934 19.000 -0.026 0.000 1.067 176 A HN 0.868 nan 8.150 nan 0.000 0.489 177 D N 0.655 121.057 120.400 0.002 0.000 2.103 177 D HA -0.078 4.588 4.640 0.043 0.000 0.199 177 D C 1.624 177.881 176.300 -0.073 0.000 0.978 177 D CA 2.307 56.310 54.000 0.005 0.000 0.829 177 D CB -0.251 40.501 40.800 -0.079 0.000 0.981 177 D HN 0.680 nan 8.370 nan 0.000 0.464 178 T N -0.194 114.245 114.554 -0.191 0.000 3.332 178 T HA 0.292 4.668 4.350 0.043 0.000 0.246 178 T C 0.835 175.510 174.700 -0.041 0.000 0.943 178 T CA -0.570 61.418 62.100 -0.188 0.000 0.922 178 T CB -0.930 67.755 68.868 -0.306 0.000 1.086 178 T HN -0.076 nan 8.240 nan 0.000 0.590 179 V N -1.182 118.758 119.914 0.044 0.000 3.237 179 V HA 0.380 4.526 4.120 0.043 0.000 0.305 179 V C 0.780 177.014 176.094 0.233 0.000 1.096 179 V CA -1.357 61.021 62.300 0.131 0.000 1.130 179 V CB 0.287 32.180 31.823 0.117 0.000 1.048 179 V HN 0.565 nan 8.190 nan 0.000 0.484 180 R N 1.694 122.406 120.500 0.353 0.000 2.248 180 R HA 0.445 4.811 4.340 0.043 0.000 0.328 180 R C -0.941 175.446 176.300 0.145 0.000 1.067 180 R CA -0.021 56.236 56.100 0.262 0.000 0.924 180 R CB 0.114 30.512 30.300 0.162 0.000 1.013 180 R HN 1.062 nan 8.270 nan 0.000 0.454 181 D N 3.343 123.838 120.400 0.158 0.000 2.755 181 D HA 0.156 4.822 4.640 0.043 0.000 0.277 181 D C -0.550 175.869 176.300 0.198 0.000 1.261 181 D CA -0.621 53.463 54.000 0.139 0.000 0.759 181 D CB 1.155 42.025 40.800 0.118 0.000 1.279 181 D HN 0.225 nan 8.370 nan 0.000 0.420 182 I N 1.393 122.101 120.570 0.230 0.000 2.836 182 I HA 0.179 4.375 4.170 0.043 0.000 0.285 182 I C 0.907 177.170 176.117 0.244 0.000 1.174 182 I CA 0.042 61.491 61.300 0.249 0.000 1.405 182 I CB -0.057 38.128 38.000 0.308 0.000 1.385 182 I HN 0.240 nan 8.210 nan 0.000 0.594 183 R N 2.996 123.661 120.500 0.275 0.000 2.589 183 R HA 0.532 4.898 4.340 0.043 0.000 0.293 183 R C 0.000 176.496 176.300 0.327 0.000 0.963 183 R CA -0.723 55.556 56.100 0.298 0.000 0.905 183 R CB 1.398 31.893 30.300 0.324 0.000 1.144 183 R HN 0.805 nan 8.270 nan 0.000 0.459 184 G N 1.007 110.018 108.800 0.352 0.000 2.476 184 G HA2 0.430 4.416 3.960 0.043 0.000 0.269 184 G HA3 0.430 4.416 3.960 0.043 0.000 0.269 184 G C -1.197 173.787 174.900 0.141 0.000 1.195 184 G CA -0.040 45.236 45.100 0.293 0.000 0.843 184 G HN 0.374 nan 8.290 nan 0.000 0.545 185 F N 1.755 121.610 119.950 -0.158 0.000 3.090 185 F HA 0.618 5.171 4.527 0.043 0.000 0.381 185 F C -0.210 175.297 175.800 -0.489 0.000 1.231 185 F CA -1.785 56.016 58.000 -0.331 0.000 1.177 185 F CB 0.976 39.899 39.000 -0.128 0.000 1.598 185 F HN 0.667 nan 8.300 nan 0.000 0.589 186 A N 3.289 125.840 122.820 -0.448 0.000 2.303 186 A HA 0.780 5.126 4.320 0.043 0.000 0.320 186 A C -0.573 176.562 177.584 -0.748 0.000 1.192 186 A CA -0.429 51.178 52.037 -0.716 0.000 0.821 186 A CB 0.769 18.990 19.000 -1.298 0.000 1.188 186 A HN 0.526 nan 8.150 nan 0.000 0.492 187 T N 2.411 116.694 114.554 -0.451 0.000 2.809 187 T HA 0.370 4.746 4.350 0.043 0.000 0.284 187 T C -0.312 174.197 174.700 -0.320 0.000 0.992 187 T CA -0.472 61.361 62.100 -0.446 0.000 0.957 187 T CB 1.016 69.537 68.868 -0.578 0.000 0.942 187 T HN 0.634 nan 8.240 nan 0.000 0.439 188 K N 3.634 123.942 120.400 -0.153 0.000 2.264 188 K HA 0.410 4.756 4.320 0.043 0.000 0.277 188 K C -1.201 175.075 176.600 -0.541 0.000 1.067 188 K CA -0.574 55.525 56.287 -0.313 0.000 0.900 188 K CB 0.270 32.526 32.500 -0.406 0.000 1.124 188 K HN 0.392 nan 8.250 nan 0.000 0.469 189 F N 4.367 124.026 119.950 -0.485 0.000 2.404 189 F HA 0.212 4.766 4.527 0.044 0.000 0.358 189 F C -0.351 175.239 175.800 -0.350 0.000 1.120 189 F CA -0.533 57.242 58.000 -0.374 0.000 1.144 189 F CB 0.593 39.277 39.000 -0.526 0.000 1.133 189 F HN 0.440 nan 8.300 nan 0.000 0.495 190 Y N 1.882 122.238 120.300 0.094 0.000 2.632 190 Y HA 0.212 4.788 4.550 0.042 0.000 0.336 190 Y C 1.044 177.002 175.900 0.096 0.000 1.237 190 Y CA -0.859 57.280 58.100 0.065 0.000 1.595 190 Y CB -0.235 38.253 38.460 0.047 0.000 1.508 190 Y HN 0.543 nan 8.280 nan 0.000 0.480 191 T N -2.326 112.324 114.554 0.159 0.000 2.847 191 T HA 0.170 4.546 4.350 0.043 0.000 0.279 191 T C 0.956 175.751 174.700 0.158 0.000 0.984 191 T CA -0.718 61.482 62.100 0.166 0.000 0.988 191 T CB 1.082 70.021 68.868 0.119 0.000 1.040 191 T HN 0.650 nan 8.240 nan 0.000 0.528 192 E N 0.020 120.317 120.200 0.162 0.000 2.478 192 E HA -0.028 4.348 4.350 0.043 0.000 0.198 192 E C 0.949 177.616 176.600 0.113 0.000 1.046 192 E CA 0.614 57.092 56.400 0.129 0.000 0.870 192 E CB 0.120 29.892 29.700 0.119 0.000 0.818 192 E HN 0.728 nan 8.360 nan 0.000 0.527 193 E N 0.220 120.490 120.200 0.117 0.000 2.651 193 E HA 0.264 4.640 4.350 0.043 0.000 0.208 193 E C 0.101 176.752 176.600 0.086 0.000 0.997 193 E CA -0.263 56.197 56.400 0.101 0.000 1.020 193 E CB 1.288 31.051 29.700 0.104 0.000 1.052 193 E HN 0.181 nan 8.360 nan 0.000 0.465 194 G N 1.150 109.996 108.800 0.076 0.000 2.406 194 G HA2 -0.103 3.883 3.960 0.043 0.000 0.680 194 G HA3 -0.103 3.883 3.960 0.043 0.000 0.680 194 G C -0.881 174.032 174.900 0.021 0.000 1.338 194 G CA -1.124 43.998 45.100 0.038 0.000 0.941 194 G HN 0.029 nan 8.290 nan 0.000 0.633 195 I N 0.762 121.307 120.570 -0.041 0.000 2.556 195 I HA 0.336 4.532 4.170 0.043 0.000 0.284 195 I C 0.106 176.233 176.117 0.017 0.000 1.114 195 I CA 0.118 61.364 61.300 -0.089 0.000 1.418 195 I CB 0.691 38.564 38.000 -0.212 0.000 1.394 195 I HN 0.465 nan 8.210 nan 0.000 0.552 196 F N 6.901 126.750 119.950 -0.169 0.000 2.427 196 F HA 0.442 4.995 4.527 0.044 0.000 0.348 196 F C -0.562 175.205 175.800 -0.056 0.000 1.125 196 F CA -1.240 56.660 58.000 -0.166 0.000 0.989 196 F CB 0.742 39.496 39.000 -0.409 0.000 1.165 196 F HN 0.336 nan 8.300 nan 0.000 0.442 197 D N 6.914 127.134 120.400 -0.300 0.000 2.280 197 D HA 0.238 4.904 4.640 0.043 0.000 0.236 197 D C -0.610 175.237 176.300 -0.756 0.000 1.082 197 D CA 0.043 53.799 54.000 -0.406 0.000 0.834 197 D CB 2.214 42.978 40.800 -0.061 0.000 1.100 197 D HN 0.645 nan 8.370 nan 0.000 0.486 198 L N 3.348 124.081 121.223 -0.818 0.000 2.272 198 L HA 0.286 4.652 4.340 0.043 0.000 0.284 198 L C -0.970 175.690 176.870 -0.351 0.000 1.045 198 L CA -0.620 53.828 54.840 -0.653 0.000 0.842 198 L CB 0.663 42.319 42.059 -0.671 0.000 1.224 198 L HN 0.046 nan 8.230 nan 0.000 0.430 199 V N 5.509 125.255 119.914 -0.280 0.000 2.247 199 V HA 0.455 4.601 4.120 0.043 0.000 0.262 199 V C 0.856 176.865 176.094 -0.142 0.000 1.096 199 V CA -0.323 61.826 62.300 -0.252 0.000 0.895 199 V CB 0.524 32.157 31.823 -0.317 0.000 1.141 199 V HN 0.819 nan 8.190 nan 0.000 0.478 200 G N 3.075 111.806 108.800 -0.116 0.000 2.601 200 G HA2 0.654 4.640 3.960 0.043 0.000 0.317 200 G HA3 0.654 4.640 3.960 0.043 0.000 0.317 200 G C -0.796 174.139 174.900 0.058 0.000 1.246 200 G CA -0.575 44.513 45.100 -0.020 0.000 1.012 200 G HN 0.489 nan 8.290 nan 0.000 0.494 201 N N -1.124 117.657 118.700 0.135 0.000 2.701 201 N HA 0.250 5.016 4.740 0.043 0.000 0.290 201 N C 0.430 176.124 175.510 0.308 0.000 1.338 201 N CA -0.792 52.394 53.050 0.226 0.000 0.799 201 N CB 1.387 39.991 38.487 0.196 0.000 1.491 201 N HN 0.516 nan 8.380 nan 0.000 0.540 202 N N -1.377 117.524 118.700 0.336 0.000 2.314 202 N HA -0.004 4.762 4.740 0.043 0.000 0.200 202 N C -0.456 175.326 175.510 0.453 0.000 1.135 202 N CA -0.067 53.235 53.050 0.420 0.000 0.835 202 N CB -0.156 38.552 38.487 0.367 0.000 0.989 202 N HN 0.555 nan 8.380 nan 0.000 0.478 203 T N -3.623 111.024 114.554 0.155 0.000 2.906 203 T HA 0.479 4.855 4.350 0.043 0.000 0.295 203 T C -2.636 171.478 174.700 -0.977 0.000 1.075 203 T CA -1.628 60.108 62.100 -0.607 0.000 1.005 203 T CB 2.967 71.366 68.868 -0.782 0.000 1.136 203 T HN -0.246 nan 8.240 nan 0.000 0.498 204 P HA 0.235 nan 4.420 nan 0.000 0.255 204 P C 0.382 177.173 177.300 -0.847 0.000 1.248 204 P CA 0.017 62.257 63.100 -1.434 0.000 0.807 204 P CB -0.076 30.737 31.700 -1.479 0.000 1.150 205 I N -4.541 115.506 120.570 -0.872 0.000 3.343 205 I HA 0.559 4.755 4.170 0.043 0.000 0.315 205 I C -1.418 174.433 176.117 -0.443 0.000 1.153 205 I CA -1.878 59.054 61.300 -0.614 0.000 0.952 205 I CB 1.428 39.015 38.000 -0.688 0.000 1.287 205 I HN -0.243 nan 8.210 nan 0.000 0.472 206 F N 0.076 119.733 119.950 -0.489 0.000 2.618 206 F HA 0.523 5.076 4.527 0.043 0.000 0.332 206 F C 0.296 175.824 175.800 -0.454 0.000 1.061 206 F CA -0.736 57.004 58.000 -0.434 0.000 0.974 206 F CB 1.947 40.831 39.000 -0.192 0.000 1.310 206 F HN 0.375 nan 8.300 nan 0.000 0.491 207 F N 2.250 121.393 119.950 -1.344 0.000 2.259 207 F HA 0.027 4.580 4.527 0.043 0.000 0.298 207 F C 0.737 176.235 175.800 -0.505 0.000 1.088 207 F CA 0.823 58.257 58.000 -0.943 0.000 1.358 207 F CB -0.258 37.821 39.000 -1.536 0.000 1.040 207 F HN 0.150 nan 8.300 nan 0.000 0.505 208 I N -3.234 117.291 120.570 -0.075 0.000 3.067 208 I HA 0.375 4.571 4.170 0.043 0.000 0.312 208 I C 0.546 176.814 176.117 0.252 0.000 1.073 208 I CA -0.859 60.530 61.300 0.149 0.000 1.016 208 I CB 1.732 39.881 38.000 0.250 0.000 1.227 208 I HN -0.165 nan 8.210 nan 0.000 0.456 209 Q N 0.197 120.143 119.800 0.244 0.000 2.204 209 Q HA 0.117 4.483 4.340 0.043 0.000 0.198 209 Q C -0.249 175.923 176.000 0.287 0.000 0.946 209 Q CA 0.781 56.769 55.803 0.308 0.000 0.859 209 Q CB 0.387 29.374 28.738 0.414 0.000 0.946 209 Q HN 0.646 nan 8.270 nan 0.000 0.474 210 D N -1.357 119.185 120.400 0.236 0.000 2.646 210 D HA 0.311 4.977 4.640 0.043 0.000 0.245 210 D C -0.177 176.249 176.300 0.210 0.000 1.099 210 D CA -0.227 53.882 54.000 0.180 0.000 0.849 210 D CB 1.887 42.767 40.800 0.134 0.000 1.448 210 D HN 0.037 nan 8.370 nan 0.000 0.489 211 A N 3.181 126.096 122.820 0.157 0.000 2.070 211 A HA -0.204 4.142 4.320 0.043 0.000 0.220 211 A C 1.760 179.468 177.584 0.207 0.000 1.159 211 A CA 1.475 53.604 52.037 0.153 0.000 0.656 211 A CB -0.720 18.310 19.000 0.050 0.000 0.800 211 A HN 0.807 nan 8.150 nan 0.000 0.453 212 H N 0.193 119.325 119.070 0.103 0.000 2.457 212 H HA -0.040 4.542 4.556 0.044 0.000 0.297 212 H C 1.541 176.949 175.328 0.133 0.000 1.092 212 H CA 1.919 58.020 56.048 0.088 0.000 1.309 212 H CB 0.077 29.866 29.762 0.045 0.000 1.382 212 H HN 0.395 nan 8.280 nan 0.000 0.535 213 K N -0.665 119.866 120.400 0.218 0.000 2.404 213 K HA -0.033 4.313 4.320 0.043 0.000 0.194 213 K C 1.371 178.111 176.600 0.232 0.000 1.023 213 K CA 0.005 56.418 56.287 0.210 0.000 1.094 213 K CB 0.099 32.777 32.500 0.297 0.000 0.841 213 K HN 0.293 nan 8.250 nan 0.000 0.523 214 F N 2.988 122.994 119.950 0.093 0.000 2.095 214 F HA -0.127 4.425 4.527 0.042 0.000 0.298 214 F C -1.015 174.807 175.800 0.037 0.000 1.104 214 F CA 1.259 59.343 58.000 0.140 0.000 1.232 214 F CB -0.392 38.672 39.000 0.108 0.000 0.987 214 F HN 0.006 nan 8.300 nan 0.000 0.475 215 P HA -0.118 nan 4.420 nan 0.000 0.220 215 P C 0.907 177.874 177.300 -0.555 0.000 1.148 215 P CA 1.520 64.376 63.100 -0.406 0.000 0.803 215 P CB -0.048 31.430 31.700 -0.370 0.000 0.782 216 D N -1.298 118.926 120.400 -0.294 0.000 2.084 216 D HA -0.137 4.529 4.640 0.043 0.000 0.196 216 D C 1.755 177.752 176.300 -0.505 0.000 0.985 216 D CA 1.045 54.908 54.000 -0.227 0.000 0.826 216 D CB -0.798 40.044 40.800 0.069 0.000 0.978 216 D HN 0.169 nan 8.370 nan 0.000 0.456 217 F N 1.779 121.300 119.950 -0.715 0.000 2.113 217 F HA -0.195 4.358 4.527 0.043 0.000 0.297 217 F C 2.200 177.607 175.800 -0.656 0.000 1.103 217 F CA 1.025 58.391 58.000 -1.057 0.000 1.248 217 F CB -0.140 38.509 39.000 -0.585 0.000 0.999 217 F HN -0.255 nan 8.300 nan 0.000 0.475 218 V N 0.447 119.953 119.914 -0.680 0.000 2.343 218 V HA -0.331 3.815 4.120 0.043 0.000 0.247 218 V C 2.296 178.178 176.094 -0.353 0.000 1.051 218 V CA 2.431 64.375 62.300 -0.594 0.000 1.036 218 V CB -1.092 30.396 31.823 -0.558 0.000 0.654 218 V HN 0.471 nan 8.190 nan 0.000 0.451 219 H N -0.123 118.714 119.070 -0.387 0.000 2.352 219 H HA -0.164 4.418 4.556 0.043 0.000 0.299 219 H C 2.369 177.541 175.328 -0.261 0.000 1.097 219 H CA 1.127 57.024 56.048 -0.251 0.000 1.311 219 H CB -0.025 29.639 29.762 -0.163 0.000 1.377 219 H HN 0.482 nan 8.280 nan 0.000 0.504 220 A N 0.468 123.113 122.820 -0.291 0.000 1.908 220 A HA -0.152 4.194 4.320 0.043 0.000 0.218 220 A C 2.543 179.977 177.584 -0.250 0.000 1.181 220 A CA 1.747 53.601 52.037 -0.306 0.000 0.627 220 A CB -0.850 17.831 19.000 -0.532 0.000 0.818 220 A HN 0.313 nan 8.150 nan 0.000 0.445 221 V N -0.274 119.373 119.914 -0.444 0.000 2.649 221 V HA -0.001 4.145 4.120 0.043 0.000 0.248 221 V C 0.998 177.060 176.094 -0.053 0.000 1.054 221 V CA 0.769 62.894 62.300 -0.292 0.000 1.073 221 V CB -0.474 30.972 31.823 -0.629 0.000 0.699 221 V HN 0.360 nan 8.190 nan 0.000 0.463 222 K N 0.942 121.267 120.400 -0.125 0.000 2.188 222 K HA 0.184 4.530 4.320 0.043 0.000 0.246 222 K C -2.248 174.300 176.600 -0.086 0.000 1.026 222 K CA -1.409 54.822 56.287 -0.093 0.000 0.871 222 K CB -0.460 31.977 32.500 -0.105 0.000 1.042 222 K HN 0.177 nan 8.250 nan 0.000 0.509 223 P HA -0.016 nan 4.420 nan 0.000 0.266 223 P C -0.576 176.667 177.300 -0.095 0.000 1.195 223 P CA 0.420 63.392 63.100 -0.213 0.000 0.768 223 P CB 0.364 31.943 31.700 -0.202 0.000 0.838 224 E N 5.177 125.370 120.200 -0.012 0.000 2.392 224 E HA -0.007 4.369 4.350 0.043 0.000 0.264 224 E C -1.261 175.410 176.600 0.119 0.000 1.024 224 E CA -1.261 55.234 56.400 0.158 0.000 0.903 224 E CB 0.158 30.082 29.700 0.373 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.432 225 P HA -0.189 nan 4.420 nan 0.000 0.225 225 P C 0.997 178.367 177.300 0.117 0.000 1.156 225 P CA 1.287 64.425 63.100 0.063 0.000 0.787 225 P CB 0.043 31.757 31.700 0.023 0.000 0.802 226 H N -0.475 118.633 119.070 0.063 0.000 2.299 226 H HA -0.097 4.485 4.556 0.044 0.000 0.302 226 H C 1.430 176.864 175.328 0.176 0.000 1.078 226 H CA 1.584 57.661 56.048 0.048 0.000 1.323 226 H CB -1.389 28.329 29.762 -0.073 0.000 1.381 226 H HN 0.299 nan 8.280 nan 0.000 0.498 227 W N -0.012 120.934 121.300 -0.589 0.000 2.870 227 W HA 0.696 5.382 4.660 0.043 0.000 0.358 227 W C 0.457 176.809 176.519 -0.278 0.000 1.043 227 W CA -1.122 55.994 57.345 -0.383 0.000 1.692 227 W CB -0.775 28.434 29.460 -0.418 0.000 1.100 227 W HN 0.463 nan 8.180 nan 0.000 0.557 228 A N 1.410 124.203 122.820 -0.045 0.000 2.610 228 A HA -0.159 4.187 4.320 0.043 0.000 0.299 228 A C -0.382 176.967 177.584 -0.390 0.000 1.487 228 A CA 1.463 53.396 52.037 -0.173 0.000 0.743 228 A CB -2.385 16.539 19.000 -0.127 0.000 1.070 228 A HN 0.467 nan 8.150 nan 0.000 0.439 229 I N 0.775 120.963 120.570 -0.636 0.000 2.647 229 I HA 0.553 4.749 4.170 0.043 0.000 0.295 229 I C -2.417 173.395 176.117 -0.508 0.000 1.078 229 I CA -2.396 58.432 61.300 -0.786 0.000 1.048 229 I CB 2.964 39.987 38.000 -1.628 0.000 1.239 229 I HN 0.235 nan 8.210 nan 0.000 0.421 230 P HA 0.296 nan 4.420 nan 0.000 0.296 230 P C -1.573 175.560 177.300 -0.277 0.000 1.310 230 P CA -0.832 62.052 63.100 -0.361 0.000 0.900 230 P CB 1.883 33.443 31.700 -0.234 0.000 1.111 231 Q N 1.075 120.757 119.800 -0.197 0.000 2.286 231 Q HA 0.477 4.843 4.340 0.043 0.000 0.257 231 Q C 1.155 177.112 176.000 -0.073 0.000 0.941 231 Q CA 1.149 56.874 55.803 -0.130 0.000 0.912 231 Q CB -0.325 28.348 28.738 -0.109 0.000 1.192 231 Q HN 0.829 nan 8.270 nan 0.000 0.410 232 G N 3.266 112.033 108.800 -0.055 0.000 2.160 232 G HA2 -0.279 3.707 3.960 0.043 0.000 0.251 232 G HA3 -0.279 3.707 3.960 0.043 0.000 0.251 232 G C -0.392 174.518 174.900 0.017 0.000 1.008 232 G CA 0.450 45.545 45.100 -0.009 0.000 0.724 232 G HN 0.544 nan 8.290 nan 0.000 0.514 233 Q N -0.953 118.841 119.800 -0.010 0.000 2.315 233 Q HA 0.555 4.921 4.340 0.043 0.000 0.273 233 Q C 0.669 176.673 176.000 0.007 0.000 1.053 233 Q CA -0.132 55.694 55.803 0.037 0.000 0.817 233 Q CB 1.824 30.625 28.738 0.105 0.000 1.326 233 Q HN 0.445 nan 8.270 nan 0.000 0.423 234 S N -0.549 115.059 115.700 -0.154 0.000 2.575 234 S HA 0.211 4.707 4.470 0.043 0.000 0.215 234 S C 0.890 175.408 174.600 -0.137 0.000 0.966 234 S CA -0.043 57.840 58.200 -0.529 0.000 0.911 234 S CB 0.336 62.621 63.200 -1.526 0.000 0.780 234 S HN 0.600 nan 8.310 nan 0.000 0.514 235 A N 2.326 125.274 122.820 0.215 0.000 3.063 235 A HA 0.510 4.856 4.320 0.043 0.000 0.263 235 A C 0.165 177.997 177.584 0.414 0.000 1.736 235 A CA -0.574 51.682 52.037 0.366 0.000 1.408 235 A CB -1.233 17.923 19.000 0.259 0.000 1.108 235 A HN 0.894 nan 8.150 nan 0.000 0.621 236 H N -3.785 115.470 119.070 0.309 0.000 2.990 236 H HA 0.518 5.100 4.556 0.044 0.000 0.336 236 H C -0.232 175.290 175.328 0.323 0.000 1.306 236 H CA -0.790 55.413 56.048 0.260 0.000 1.118 236 H CB 0.306 30.178 29.762 0.182 0.000 1.856 236 H HN 0.047 nan 8.280 nan 0.000 0.538 237 D N 0.024 120.596 120.400 0.286 0.000 2.123 237 D HA -0.185 4.481 4.640 0.043 0.000 0.196 237 D C 2.077 178.429 176.300 0.087 0.000 0.992 237 D CA 2.947 57.047 54.000 0.167 0.000 0.833 237 D CB -0.314 40.560 40.800 0.123 0.000 0.954 237 D HN 0.759 nan 8.370 nan 0.000 0.455 238 T N -1.838 112.746 114.554 0.050 0.000 2.904 238 T HA -0.138 4.238 4.350 0.043 0.000 0.267 238 T C 1.896 176.512 174.700 -0.140 0.000 1.059 238 T CA 0.414 62.517 62.100 0.004 0.000 1.137 238 T CB -0.650 68.271 68.868 0.089 0.000 0.879 238 T HN 0.130 nan 8.240 nan 0.000 0.467 239 F N 0.827 120.444 119.950 -0.556 0.000 2.102 239 F HA 0.091 4.644 4.527 0.043 0.000 0.298 239 F C 1.812 177.330 175.800 -0.470 0.000 1.105 239 F CA 0.719 58.316 58.000 -0.670 0.000 1.239 239 F CB -0.558 37.837 39.000 -1.008 0.000 0.991 239 F HN 0.147 nan 8.300 nan 0.000 0.474 240 W N 0.456 121.689 121.300 -0.113 0.000 2.519 240 W HA -0.068 4.618 4.660 0.044 0.000 0.266 240 W C 2.262 178.702 176.519 -0.131 0.000 1.253 240 W CA 0.815 58.091 57.345 -0.115 0.000 1.274 240 W CB -0.500 28.975 29.460 0.025 0.000 1.114 240 W HN 0.063 nan 8.180 nan 0.000 0.596 241 D N -0.450 119.989 120.400 0.065 0.000 2.084 241 D HA -0.294 4.372 4.640 0.043 0.000 0.194 241 D C 1.868 178.167 176.300 -0.002 0.000 0.990 241 D CA 1.511 55.533 54.000 0.038 0.000 0.826 241 D CB -0.580 40.249 40.800 0.049 0.000 0.971 241 D HN 0.182 nan 8.370 nan 0.000 0.453 242 Y N 0.532 120.718 120.300 -0.189 0.000 2.097 242 Y HA -0.251 4.325 4.550 0.044 0.000 0.282 242 Y C 2.338 178.102 175.900 -0.226 0.000 1.152 242 Y CA 1.801 59.774 58.100 -0.211 0.000 1.136 242 Y CB -0.496 37.791 38.460 -0.289 0.000 0.975 242 Y HN -0.105 nan 8.280 nan 0.000 0.498 243 V N 0.145 119.926 119.914 -0.222 0.000 2.282 243 V HA -0.379 3.767 4.120 0.043 0.000 0.249 243 V C 2.586 178.629 176.094 -0.085 0.000 1.057 243 V CA 2.373 64.550 62.300 -0.204 0.000 1.032 243 V CB -1.305 30.329 31.823 -0.315 0.000 0.645 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N -0.158 115.536 115.700 -0.009 0.000 2.423 244 S HA -0.046 4.450 4.470 0.043 0.000 0.231 244 S C 1.712 176.283 174.600 -0.048 0.000 1.014 244 S CA 1.306 59.523 58.200 0.027 0.000 0.965 244 S CB -0.488 62.755 63.200 0.071 0.000 0.785 244 S HN 0.561 nan 8.310 nan 0.000 0.495 245 L N 0.076 121.223 121.223 -0.126 0.000 2.567 245 L HA 0.306 4.672 4.340 0.043 0.000 0.225 245 L C 0.555 177.255 176.870 -0.283 0.000 1.119 245 L CA 0.181 54.916 54.840 -0.175 0.000 0.871 245 L CB -0.058 41.903 42.059 -0.163 0.000 1.036 245 L HN 0.251 nan 8.230 nan 0.000 0.459 246 Q N 0.177 119.767 119.800 -0.350 0.000 3.090 246 Q HA 0.236 4.602 4.340 0.043 0.000 0.241 246 Q C -2.007 173.770 176.000 -0.372 0.000 0.958 246 Q CA -1.370 54.179 55.803 -0.423 0.000 0.715 246 Q CB 1.667 30.035 28.738 -0.617 0.000 1.298 246 Q HN -0.031 nan 8.270 nan 0.000 0.468 247 P HA -0.196 nan 4.420 nan 0.000 0.225 247 P C 1.047 178.038 177.300 -0.516 0.000 1.148 247 P CA 0.991 63.839 63.100 -0.420 0.000 0.779 247 P CB 0.275 31.684 31.700 -0.484 0.000 0.780 248 E N 0.722 120.480 120.200 -0.738 0.000 2.171 248 E HA -0.207 4.169 4.350 0.043 0.000 0.197 248 E C 1.434 177.981 176.600 -0.089 0.000 0.997 248 E CA 1.983 58.197 56.400 -0.310 0.000 0.810 248 E CB -1.466 28.138 29.700 -0.160 0.000 0.738 248 E HN 0.279 nan 8.360 nan 0.000 0.467 249 T N -0.554 113.954 114.554 -0.076 0.000 3.051 249 T HA -0.008 4.368 4.350 0.043 0.000 0.269 249 T C 1.921 176.698 174.700 0.127 0.000 1.127 249 T CA 0.595 62.726 62.100 0.051 0.000 1.107 249 T CB -0.323 68.604 68.868 0.099 0.000 0.898 249 T HN 0.151 nan 8.240 nan 0.000 0.517 250 L N -0.096 121.201 121.223 0.122 0.000 2.141 250 L HA -0.020 4.346 4.340 0.043 0.000 0.209 250 L C 2.830 179.874 176.870 0.290 0.000 1.094 250 L CA 1.593 56.582 54.840 0.247 0.000 0.763 250 L CB -0.749 41.468 42.059 0.262 0.000 0.908 250 L HN 0.459 nan 8.230 nan 0.000 0.437 251 H N 0.044 119.160 119.070 0.076 0.000 2.293 251 H HA -0.194 4.388 4.556 0.044 0.000 0.300 251 H C 2.157 177.477 175.328 -0.013 0.000 1.082 251 H CA 1.771 57.858 56.048 0.065 0.000 1.308 251 H CB 0.247 30.005 29.762 -0.007 0.000 1.375 251 H HN 0.360 nan 8.280 nan 0.000 0.495 252 N N -0.161 118.367 118.700 -0.286 0.000 2.244 252 N HA -0.126 4.640 4.740 0.043 0.000 0.183 252 N C 1.952 177.306 175.510 -0.260 0.000 1.016 252 N CA 0.741 53.396 53.050 -0.657 0.000 0.866 252 N CB 0.286 37.882 38.487 -1.485 0.000 0.980 252 N HN 0.119 nan 8.380 nan 0.000 0.430 253 V N 1.807 121.796 119.914 0.125 0.000 2.332 253 V HA -0.275 3.871 4.120 0.043 0.000 0.248 253 V C 2.499 178.744 176.094 0.252 0.000 1.055 253 V CA 1.308 63.833 62.300 0.375 0.000 1.038 253 V CB -0.391 31.715 31.823 0.472 0.000 0.651 253 V HN 0.406 nan 8.190 nan 0.000 0.450 254 M N -1.604 118.180 119.600 0.306 0.000 2.080 254 M HA -0.226 4.280 4.480 0.043 0.000 0.260 254 M C 2.094 178.403 176.300 0.014 0.000 1.068 254 M CA 1.983 57.457 55.300 0.290 0.000 1.109 254 M CB -1.261 31.547 32.600 0.347 0.000 1.342 254 M HN 0.468 nan 8.290 nan 0.000 0.405 255 W N 0.592 121.629 121.300 -0.438 0.000 2.335 255 W HA -0.105 4.581 4.660 0.043 0.000 0.311 255 W C 2.860 179.311 176.519 -0.113 0.000 1.213 255 W CA 1.936 58.998 57.345 -0.472 0.000 1.274 255 W CB -1.104 28.014 29.460 -0.569 0.000 1.148 255 W HN 0.304 nan 8.180 nan 0.000 0.498 256 A N -0.639 122.271 122.820 0.150 0.000 1.933 256 A HA -0.199 4.147 4.320 0.043 0.000 0.218 256 A C 1.942 179.579 177.584 0.088 0.000 1.175 256 A CA 1.827 53.957 52.037 0.155 0.000 0.628 256 A CB -0.610 18.528 19.000 0.231 0.000 0.814 256 A HN 0.118 nan 8.150 nan 0.000 0.444 257 M N 0.610 120.217 119.600 0.012 0.000 2.492 257 M HA 0.020 4.526 4.480 0.043 0.000 0.262 257 M C 1.447 177.787 176.300 0.068 0.000 1.090 257 M CA 0.790 56.031 55.300 -0.098 0.000 1.110 257 M CB -1.357 30.913 32.600 -0.549 0.000 1.407 257 M HN 0.550 nan 8.290 nan 0.000 0.470 258 S N 0.241 116.041 115.700 0.167 0.000 2.634 258 S HA 0.084 4.580 4.470 0.043 0.000 0.261 258 S C 0.768 175.499 174.600 0.219 0.000 1.271 258 S CA -0.454 57.888 58.200 0.237 0.000 0.985 258 S CB 0.984 64.373 63.200 0.315 0.000 0.968 258 S HN 0.182 nan 8.310 nan 0.000 0.568 259 D N 0.399 120.949 120.400 0.250 0.000 2.351 259 D HA -0.034 4.632 4.640 0.043 0.000 0.216 259 D C 1.895 178.343 176.300 0.246 0.000 0.968 259 D CA 0.491 54.659 54.000 0.279 0.000 0.899 259 D CB -0.172 40.861 40.800 0.388 0.000 0.907 259 D HN 0.401 nan 8.370 nan 0.000 0.514 260 R N 0.182 120.820 120.500 0.230 0.000 2.159 260 R HA -0.072 4.294 4.340 0.043 0.000 0.237 260 R C 2.109 178.569 176.300 0.266 0.000 1.131 260 R CA 1.039 57.299 56.100 0.267 0.000 0.982 260 R CB -0.885 29.639 30.300 0.374 0.000 0.868 260 R HN 0.198 nan 8.270 nan 0.000 0.453 261 G N 1.333 110.278 108.800 0.241 0.000 2.679 261 G HA2 -0.035 3.950 3.960 0.043 0.000 0.212 261 G HA3 -0.035 3.950 3.960 0.043 0.000 0.212 261 G C 1.034 176.080 174.900 0.242 0.000 1.137 261 G CA 0.151 45.385 45.100 0.224 0.000 0.787 261 G HN 0.429 nan 8.290 nan 0.000 0.534 262 I N -2.189 118.533 120.570 0.254 0.000 2.926 262 I HA 0.348 4.544 4.170 0.043 0.000 0.295 262 I C -2.885 173.387 176.117 0.258 0.000 1.463 262 I CA -2.533 58.922 61.300 0.259 0.000 0.892 262 I CB 1.686 39.842 38.000 0.261 0.000 1.874 262 I HN -0.258 nan 8.210 nan 0.000 0.620 263 P HA 0.098 nan 4.420 nan 0.000 0.269 263 P C 0.568 178.005 177.300 0.227 0.000 1.215 263 P CA -0.179 63.031 63.100 0.184 0.000 0.780 263 P CB 1.208 32.951 31.700 0.073 0.000 0.898 264 R N 1.453 122.066 120.500 0.190 0.000 2.115 264 R HA 0.024 4.390 4.340 0.043 0.000 0.230 264 R C 0.346 176.766 176.300 0.200 0.000 1.111 264 R CA 1.408 57.665 56.100 0.261 0.000 0.976 264 R CB -0.410 30.019 30.300 0.216 0.000 0.870 264 R HN 0.542 nan 8.270 nan 0.000 0.445 265 S N -2.504 113.100 115.700 -0.161 0.000 2.558 265 S HA 0.206 4.702 4.470 0.043 0.000 0.277 265 S C -0.388 173.895 174.600 -0.528 0.000 1.143 265 S CA -0.869 57.094 58.200 -0.396 0.000 0.865 265 S CB 0.144 63.253 63.200 -0.151 0.000 1.102 265 S HN 0.117 nan 8.310 nan 0.000 0.454 266 Y N 2.733 122.645 120.300 -0.647 0.000 2.315 266 Y HA -0.000 4.575 4.550 0.043 0.000 0.288 266 Y C 2.370 177.921 175.900 -0.583 0.000 1.154 266 Y CA 1.270 58.868 58.100 -0.836 0.000 1.229 266 Y CB -0.337 37.230 38.460 -1.488 0.000 0.980 266 Y HN 0.596 nan 8.280 nan 0.000 0.540 267 R N -0.583 119.787 120.500 -0.216 0.000 2.189 267 R HA -0.068 4.298 4.340 0.043 0.000 0.223 267 R C 1.199 177.461 176.300 -0.064 0.000 1.092 267 R CA 1.580 57.612 56.100 -0.114 0.000 0.989 267 R CB -0.502 29.723 30.300 -0.126 0.000 0.876 267 R HN 0.361 nan 8.270 nan 0.000 0.457 268 T N -1.945 112.585 114.554 -0.039 0.000 3.308 268 T HA 0.337 4.713 4.350 0.043 0.000 0.270 268 T C 0.222 174.961 174.700 0.064 0.000 0.992 268 T CA -0.672 61.431 62.100 0.005 0.000 0.931 268 T CB -0.066 68.788 68.868 -0.023 0.000 1.142 268 T HN 0.086 nan 8.240 nan 0.000 0.525 269 M N -0.856 118.825 119.600 0.135 0.000 2.591 269 M HA 0.720 5.226 4.480 0.043 0.000 0.306 269 M C -1.088 175.390 176.300 0.296 0.000 1.190 269 M CA -0.831 54.588 55.300 0.199 0.000 0.889 269 M CB 2.155 34.868 32.600 0.189 0.000 1.728 269 M HN -0.132 nan 8.290 nan 0.000 0.458 270 E N 0.751 121.119 120.200 0.280 0.000 2.374 270 E HA 0.587 4.963 4.350 0.043 0.000 0.260 270 E C -0.160 176.507 176.600 0.113 0.000 1.101 270 E CA -0.444 56.056 56.400 0.167 0.000 0.907 270 E CB 1.332 31.051 29.700 0.032 0.000 1.014 270 E HN 0.858 nan 8.360 nan 0.000 0.427 271 G N 0.906 109.618 108.800 -0.146 0.000 2.481 271 G HA2 0.620 4.606 3.960 0.043 0.000 0.315 271 G HA3 0.620 4.606 3.960 0.043 0.000 0.315 271 G C -1.433 173.041 174.900 -0.709 0.000 1.231 271 G CA -0.477 44.501 45.100 -0.203 0.000 0.968 271 G HN 0.276 nan 8.290 nan 0.000 0.482 272 F N -0.385 119.513 119.950 -0.087 0.000 2.591 272 F HA 0.491 5.044 4.527 0.043 0.000 0.309 272 F C 1.084 176.795 175.800 -0.149 0.000 1.098 272 F CA -0.568 57.301 58.000 -0.218 0.000 0.937 272 F CB 2.603 41.429 39.000 -0.290 0.000 1.250 272 F HN 0.594 nan 8.300 nan 0.000 0.447 273 G N -0.259 108.596 108.800 0.091 0.000 2.848 273 G HA2 0.118 4.104 3.960 0.043 0.000 0.208 273 G HA3 0.118 4.104 3.960 0.043 0.000 0.208 273 G C 0.791 175.780 174.900 0.148 0.000 1.152 273 G CA 0.717 45.934 45.100 0.196 0.000 0.789 273 G HN 1.013 nan 8.290 nan 0.000 0.531 274 C N -1.614 117.650 119.300 -0.059 0.000 5.885 274 C HA -0.162 4.324 4.460 0.043 0.000 0.328 274 C C 0.769 175.436 174.990 -0.538 0.000 2.430 274 C CA 0.799 59.593 59.018 -0.374 0.000 2.194 274 C CB -1.921 25.487 27.740 -0.553 0.000 3.233 274 C HN 0.616 nan 8.230 nan 0.000 0.263 275 H N 0.106 119.216 119.070 0.065 0.000 2.731 275 H HA 0.465 5.047 4.556 0.043 0.000 0.368 275 H C -0.184 175.115 175.328 -0.049 0.000 1.168 275 H CA 0.064 56.067 56.048 -0.075 0.000 1.181 275 H CB 0.848 30.427 29.762 -0.305 0.000 1.743 275 H HN 0.305 nan 8.280 nan 0.000 0.547 276 T N 2.971 117.521 114.554 -0.005 0.000 2.817 276 T HA 0.148 4.524 4.350 0.043 0.000 0.295 276 T C 0.203 174.861 174.700 -0.071 0.000 0.958 276 T CA 0.417 62.499 62.100 -0.030 0.000 1.157 276 T CB -0.434 68.367 68.868 -0.111 0.000 0.898 276 T HN 0.210 nan 8.240 nan 0.000 0.536 277 F N 1.306 121.206 119.950 -0.084 0.000 2.629 277 F HA 0.658 5.211 4.527 0.043 0.000 0.386 277 F C 1.096 176.854 175.800 -0.069 0.000 1.135 277 F CA -1.359 56.621 58.000 -0.033 0.000 1.116 277 F CB 1.320 40.276 39.000 -0.074 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.447 121.013 120.500 0.111 0.000 2.750 278 R HA 0.630 4.996 4.340 0.043 0.000 0.281 278 R C -1.618 174.572 176.300 -0.184 0.000 0.972 278 R CA -0.852 55.178 56.100 -0.115 0.000 0.912 278 R CB 1.967 32.138 30.300 -0.214 0.000 1.187 278 R HN 0.415 nan 8.270 nan 0.000 0.464 279 L N 3.336 124.402 121.223 -0.262 0.000 2.343 279 L HA 0.538 4.904 4.340 0.043 0.000 0.275 279 L C -0.376 176.335 176.870 -0.265 0.000 1.056 279 L CA -0.879 53.813 54.840 -0.247 0.000 0.804 279 L CB 1.141 43.062 42.059 -0.230 0.000 1.203 279 L HN 0.351 nan 8.230 nan 0.000 0.440 280 I N 2.550 122.987 120.570 -0.222 0.000 2.439 280 I HA 0.251 4.447 4.170 0.043 0.000 0.285 280 I C -0.322 175.701 176.117 -0.156 0.000 1.021 280 I CA -0.676 60.492 61.300 -0.219 0.000 1.091 280 I CB 1.385 39.263 38.000 -0.204 0.000 1.242 280 I HN 0.656 nan 8.210 nan 0.000 0.439 281 N N 5.017 123.636 118.700 -0.135 0.000 2.405 281 N HA 0.343 5.109 4.740 0.043 0.000 0.269 281 N C 0.921 176.385 175.510 -0.076 0.000 1.249 281 N CA -0.196 52.797 53.050 -0.095 0.000 0.974 281 N CB 0.665 39.105 38.487 -0.079 0.000 1.204 281 N HN 0.527 nan 8.380 nan 0.000 0.565 282 A N -0.492 122.294 122.820 -0.058 0.000 1.978 282 A HA -0.139 4.207 4.320 0.043 0.000 0.220 282 A C 1.498 179.059 177.584 -0.039 0.000 1.170 282 A CA 1.226 53.235 52.037 -0.045 0.000 0.636 282 A CB -0.600 18.380 19.000 -0.034 0.000 0.810 282 A HN 0.695 nan 8.150 nan 0.000 0.448 283 E N -1.343 118.834 120.200 -0.037 0.000 2.481 283 E HA 0.163 4.539 4.350 0.043 0.000 0.195 283 E C 1.339 177.926 176.600 -0.021 0.000 1.047 283 E CA 0.726 57.110 56.400 -0.027 0.000 0.867 283 E CB -0.313 29.372 29.700 -0.026 0.000 0.858 283 E HN 0.840 nan 8.360 nan 0.000 0.513 284 G N 1.643 110.424 108.800 -0.030 0.000 2.176 284 G HA2 -0.309 3.677 3.960 0.043 0.000 0.232 284 G HA3 -0.309 3.677 3.960 0.043 0.000 0.232 284 G C 0.355 175.259 174.900 0.006 0.000 0.986 284 G CA 0.266 45.365 45.100 -0.001 0.000 0.643 284 G HN 0.279 nan 8.290 nan 0.000 0.522 285 K N 0.960 121.327 120.400 -0.055 0.000 2.368 285 K HA 0.638 4.984 4.320 0.043 0.000 0.282 285 K C 0.611 177.052 176.600 -0.265 0.000 1.035 285 K CA 0.328 56.549 56.287 -0.110 0.000 0.973 285 K CB 0.520 32.962 32.500 -0.096 0.000 0.957 285 K HN 0.602 nan 8.250 nan 0.000 0.474 286 A N 3.403 125.948 122.820 -0.457 0.000 2.305 286 A HA 0.452 4.798 4.320 0.043 0.000 0.322 286 A C -0.772 176.478 177.584 -0.557 0.000 1.187 286 A CA -0.506 51.100 52.037 -0.718 0.000 0.825 286 A CB 1.210 19.327 19.000 -1.473 0.000 1.164 286 A HN 0.718 nan 8.150 nan 0.000 0.498 287 T N 2.053 116.318 114.554 -0.481 0.000 2.861 287 T HA 0.557 4.933 4.350 0.043 0.000 0.287 287 T C -0.743 173.722 174.700 -0.391 0.000 1.003 287 T CA -0.100 61.773 62.100 -0.378 0.000 0.977 287 T CB 0.571 69.317 68.868 -0.203 0.000 0.996 287 T HN 0.339 nan 8.240 nan 0.000 0.448 288 F N 1.846 121.709 119.950 -0.146 0.000 2.429 288 F HA 0.555 5.107 4.527 0.043 0.000 0.348 288 F C 0.494 176.188 175.800 -0.177 0.000 1.109 288 F CA -0.560 57.351 58.000 -0.147 0.000 1.232 288 F CB 0.836 39.773 39.000 -0.105 0.000 1.157 288 F HN 0.169 nan 8.300 nan 0.000 0.564 289 V N 5.010 124.892 119.914 -0.052 0.000 2.686 289 V HA 0.583 4.729 4.120 0.043 0.000 0.306 289 V C -0.902 174.965 176.094 -0.378 0.000 1.065 289 V CA -0.687 61.429 62.300 -0.306 0.000 0.894 289 V CB 1.876 33.303 31.823 -0.660 0.000 1.004 289 V HN 0.773 nan 8.190 nan 0.000 0.424 290 R N 4.882 125.214 120.500 -0.280 0.000 2.562 290 R HA 0.566 4.932 4.340 0.043 0.000 0.298 290 R C -1.586 174.630 176.300 -0.140 0.000 0.961 290 R CA -0.496 55.462 56.100 -0.236 0.000 0.881 290 R CB 2.009 32.298 30.300 -0.017 0.000 1.159 290 R HN 0.590 nan 8.270 nan 0.000 0.450 291 F N 2.152 122.127 119.950 0.041 0.000 2.385 291 F HA 0.372 4.925 4.527 0.044 0.000 0.336 291 F C 0.898 176.624 175.800 -0.124 0.000 1.100 291 F CA -0.116 57.876 58.000 -0.014 0.000 1.116 291 F CB 0.924 39.808 39.000 -0.193 0.000 1.166 291 F HN 0.215 nan 8.300 nan 0.000 0.511 292 H N 0.917 119.989 119.070 0.003 0.000 2.717 292 H HA 0.241 4.824 4.556 0.044 0.000 0.366 292 H C -1.550 173.559 175.328 -0.365 0.000 1.132 292 H CA -0.959 54.991 56.048 -0.163 0.000 1.180 292 H CB 1.932 31.685 29.762 -0.015 0.000 1.678 292 H HN 0.668 nan 8.280 nan 0.000 0.537 293 W N 2.284 123.478 121.300 -0.177 0.000 2.532 293 W HA 0.327 5.013 4.660 0.044 0.000 0.321 293 W C -0.092 176.458 176.519 0.052 0.000 1.037 293 W CA -0.790 56.506 57.345 -0.083 0.000 1.220 293 W CB 1.801 31.035 29.460 -0.376 0.000 1.361 293 W HN 0.304 nan 8.180 nan 0.000 0.468 294 K N 5.573 126.242 120.400 0.448 0.000 2.265 294 K HA 0.409 4.755 4.320 0.043 0.000 0.267 294 K C -2.437 174.389 176.600 0.378 0.000 0.994 294 K CA -1.906 54.583 56.287 0.336 0.000 0.860 294 K CB 1.378 34.025 32.500 0.245 0.000 1.099 294 K HN 0.024 nan 8.250 nan 0.000 0.448 295 P HA 0.053 nan 4.420 nan 0.000 0.276 295 P C 0.255 177.564 177.300 0.015 0.000 1.253 295 P CA -0.105 63.068 63.100 0.122 0.000 0.766 295 P CB 0.803 32.587 31.700 0.141 0.000 0.845 296 L N 2.549 123.723 121.223 -0.081 0.000 2.395 296 L HA -0.033 4.333 4.340 0.043 0.000 0.218 296 L C 2.110 178.960 176.870 -0.035 0.000 1.130 296 L CA 1.009 55.837 54.840 -0.019 0.000 0.826 296 L CB -0.564 41.492 42.059 -0.005 0.000 0.941 296 L HN 0.345 nan 8.230 nan 0.000 0.451 297 A N 0.158 122.929 122.820 -0.082 0.000 2.238 297 A HA 0.408 4.754 4.320 0.043 0.000 0.208 297 A C 1.245 178.823 177.584 -0.010 0.000 1.177 297 A CA 0.647 52.654 52.037 -0.050 0.000 0.804 297 A CB -0.492 18.460 19.000 -0.079 0.000 0.823 297 A HN 0.449 nan 8.150 nan 0.000 0.482 298 G N -0.612 108.196 108.800 0.013 0.000 2.746 298 G HA2 -0.146 3.840 3.960 0.043 0.000 0.685 298 G HA3 -0.146 3.840 3.960 0.043 0.000 0.685 298 G C -0.606 174.320 174.900 0.043 0.000 1.350 298 G CA -0.415 44.712 45.100 0.045 0.000 0.837 298 G HN 0.472 nan 8.290 nan 0.000 0.564 299 K N 0.165 120.595 120.400 0.050 0.000 2.201 299 K HA 0.713 5.059 4.320 0.043 0.000 0.278 299 K C 0.245 176.832 176.600 -0.023 0.000 1.027 299 K CA 0.256 56.555 56.287 0.019 0.000 0.909 299 K CB 1.694 34.191 32.500 -0.005 0.000 1.062 299 K HN 1.491 nan 8.250 nan 0.000 0.465 300 A N 1.739 124.534 122.820 -0.042 0.000 2.555 300 A HA 0.550 4.896 4.320 0.043 0.000 0.297 300 A C -1.177 176.443 177.584 0.059 0.000 1.060 300 A CA -0.687 51.283 52.037 -0.112 0.000 0.710 300 A CB 1.643 20.374 19.000 -0.449 0.000 1.282 300 A HN 0.506 nan 8.150 nan 0.000 0.399 301 S N 0.788 116.684 115.700 0.327 0.000 2.599 301 S HA 0.747 5.243 4.470 0.043 0.000 0.287 301 S C 0.053 174.969 174.600 0.526 0.000 1.105 301 S CA -0.648 57.782 58.200 0.384 0.000 0.899 301 S CB 1.182 64.596 63.200 0.356 0.000 1.100 301 S HN 0.661 nan 8.310 nan 0.000 0.482 302 L N 1.410 122.841 121.223 0.346 0.000 2.470 302 L HA 0.446 4.812 4.340 0.043 0.000 0.243 302 L C 0.259 177.266 176.870 0.229 0.000 1.227 302 L CA -0.657 54.316 54.840 0.222 0.000 0.824 302 L CB -0.011 42.083 42.059 0.058 0.000 1.175 302 L HN 0.490 nan 8.230 nan 0.000 0.503 303 V N -2.947 117.003 119.914 0.060 0.000 2.850 303 V HA 0.187 4.333 4.120 0.043 0.000 0.315 303 V C 0.654 176.690 176.094 -0.097 0.000 1.064 303 V CA -0.781 61.521 62.300 0.002 0.000 0.979 303 V CB 1.645 33.450 31.823 -0.031 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.730 122.897 121.300 -0.222 0.000 2.335 304 W HA -0.197 4.489 4.660 0.043 0.000 0.311 304 W C 1.788 178.146 176.519 -0.267 0.000 1.213 304 W CA 2.524 59.728 57.345 -0.236 0.000 1.274 304 W CB -0.114 29.184 29.460 -0.271 0.000 1.148 304 W HN 1.008 nan 8.180 nan 0.000 0.498 305 D N 0.214 120.350 120.400 -0.441 0.000 2.117 305 D HA -0.287 4.379 4.640 0.043 0.000 0.197 305 D C 2.151 178.103 176.300 -0.581 0.000 0.987 305 D CA 2.110 55.823 54.000 -0.479 0.000 0.829 305 D CB -0.472 40.282 40.800 -0.076 0.000 0.961 305 D HN 0.341 nan 8.370 nan 0.000 0.460 306 E N -0.427 119.283 120.200 -0.817 0.000 2.047 306 E HA -0.196 4.180 4.350 0.043 0.000 0.191 306 E C 2.019 178.277 176.600 -0.571 0.000 0.987 306 E CA 1.021 56.890 56.400 -0.884 0.000 0.799 306 E CB -0.213 28.839 29.700 -1.079 0.000 0.752 306 E HN 0.326 nan 8.360 nan 0.000 0.449 307 A N 1.136 123.639 122.820 -0.527 0.000 1.902 307 A HA -0.245 4.101 4.320 0.043 0.000 0.217 307 A C 2.168 179.412 177.584 -0.566 0.000 1.181 307 A CA 1.738 53.513 52.037 -0.438 0.000 0.623 307 A CB -0.631 18.206 19.000 -0.271 0.000 0.818 307 A HN 0.419 nan 8.150 nan 0.000 0.443 308 Q N -0.544 118.716 119.800 -0.901 0.000 2.079 308 Q HA -0.162 4.204 4.340 0.043 0.000 0.200 308 Q C 2.170 177.889 176.000 -0.470 0.000 0.974 308 Q CA 1.695 56.979 55.803 -0.864 0.000 0.840 308 Q CB -0.140 27.797 28.738 -1.335 0.000 0.898 308 Q HN 0.660 nan 8.270 nan 0.000 0.430 309 K N 0.103 120.253 120.400 -0.417 0.000 2.097 309 K HA -0.149 4.197 4.320 0.043 0.000 0.205 309 K C 2.087 178.544 176.600 -0.238 0.000 1.050 309 K CA 0.729 56.865 56.287 -0.251 0.000 0.938 309 K CB -0.052 32.344 32.500 -0.173 0.000 0.718 309 K HN 0.169 nan 8.250 nan 0.000 0.442 310 L N 1.399 122.436 121.223 -0.310 0.000 2.131 310 L HA -0.143 4.223 4.340 0.043 0.000 0.210 310 L C 2.199 178.926 176.870 -0.237 0.000 1.092 310 L CA 2.193 56.846 54.840 -0.312 0.000 0.759 310 L CB -0.917 40.868 42.059 -0.456 0.000 0.903 310 L HN 0.328 nan 8.230 nan 0.000 0.435 311 T N -4.213 110.205 114.554 -0.227 0.000 2.881 311 T HA -0.078 4.298 4.350 0.043 0.000 0.270 311 T C 1.854 176.487 174.700 -0.112 0.000 1.068 311 T CA 1.011 63.020 62.100 -0.152 0.000 1.131 311 T CB -1.009 67.778 68.868 -0.135 0.000 0.871 311 T HN 0.390 nan 8.240 nan 0.000 0.479 312 G N 1.333 110.061 108.800 -0.121 0.000 2.417 312 G HA2 -0.021 3.965 3.960 0.043 0.000 0.212 312 G HA3 -0.021 3.965 3.960 0.043 0.000 0.212 312 G C 1.904 176.759 174.900 -0.075 0.000 1.187 312 G CA -0.179 44.868 45.100 -0.088 0.000 0.804 312 G HN 0.317 nan 8.290 nan 0.000 0.534 313 R N 0.426 120.872 120.500 -0.089 0.000 2.092 313 R HA 0.006 4.372 4.340 0.043 0.000 0.231 313 R C -0.076 176.195 176.300 -0.047 0.000 1.119 313 R CA 1.011 57.071 56.100 -0.067 0.000 0.970 313 R CB -0.349 29.903 30.300 -0.080 0.000 0.864 313 R HN 0.360 nan 8.270 nan 0.000 0.440 314 D N -0.562 119.803 120.400 -0.058 0.000 2.411 314 D HA 0.147 4.813 4.640 0.043 0.000 0.239 314 D C -2.144 174.151 176.300 -0.007 0.000 1.307 314 D CA -1.837 52.161 54.000 -0.003 0.000 0.930 314 D CB 1.426 42.275 40.800 0.080 0.000 1.395 314 D HN -0.135 nan 8.370 nan 0.000 0.536 315 P HA 0.046 nan 4.420 nan 0.000 0.234 315 P C 0.045 177.345 177.300 0.000 0.000 1.167 315 P CA 0.480 63.564 63.100 -0.028 0.000 0.763 315 P CB 0.546 32.228 31.700 -0.031 0.000 0.835 316 D N -1.322 119.091 120.400 0.022 0.000 2.388 316 D HA 0.074 4.740 4.640 0.043 0.000 0.221 316 D C 1.226 177.564 176.300 0.063 0.000 1.133 316 D CA -0.410 53.610 54.000 0.033 0.000 0.831 316 D CB -0.556 40.242 40.800 -0.002 0.000 0.962 316 D HN 0.123 nan 8.370 nan 0.000 0.502 317 F N 1.174 121.063 119.950 -0.101 0.000 2.126 317 F HA -0.239 4.313 4.527 0.043 0.000 0.299 317 F C 2.045 177.818 175.800 -0.045 0.000 1.096 317 F CA 1.850 59.790 58.000 -0.100 0.000 1.255 317 F CB 0.091 38.976 39.000 -0.191 0.000 0.997 317 F HN 0.121 nan 8.300 nan 0.000 0.479 318 H N -1.315 117.678 119.070 -0.127 0.000 2.403 318 H HA -0.058 4.524 4.556 0.043 0.000 0.298 318 H C 2.343 177.575 175.328 -0.161 0.000 1.059 318 H CA 0.780 56.603 56.048 -0.376 0.000 1.363 318 H CB -0.085 29.250 29.762 -0.711 0.000 1.410 318 H HN 0.177 nan 8.280 nan 0.000 0.528 319 R N 1.337 121.931 120.500 0.157 0.000 2.081 319 R HA -0.116 4.250 4.340 0.043 0.000 0.235 319 R C 2.418 178.822 176.300 0.173 0.000 1.131 319 R CA 1.192 57.438 56.100 0.244 0.000 0.960 319 R CB -0.013 30.420 30.300 0.223 0.000 0.856 319 R HN 0.193 nan 8.270 nan 0.000 0.436 320 R N 0.330 120.853 120.500 0.039 0.000 2.075 320 R HA -0.133 4.233 4.340 0.043 0.000 0.232 320 R C 2.076 178.376 176.300 0.000 0.000 1.126 320 R CA 1.544 57.650 56.100 0.009 0.000 0.963 320 R CB -0.163 30.107 30.300 -0.050 0.000 0.858 320 R HN 0.269 nan 8.270 nan 0.000 0.435 321 E N 0.694 120.792 120.200 -0.171 0.000 2.051 321 E HA -0.201 4.175 4.350 0.043 0.000 0.192 321 E C 2.042 178.616 176.600 -0.042 0.000 0.991 321 E CA 1.127 57.394 56.400 -0.223 0.000 0.799 321 E CB -0.132 29.276 29.700 -0.487 0.000 0.748 321 E HN 0.249 nan 8.360 nan 0.000 0.449 322 L N 1.014 122.253 121.223 0.027 0.000 1.989 322 L HA -0.186 4.179 4.340 0.043 0.000 0.211 322 L C 2.268 179.246 176.870 0.181 0.000 1.071 322 L CA 1.958 56.866 54.840 0.114 0.000 0.749 322 L CB -0.909 41.278 42.059 0.213 0.000 0.890 322 L HN 0.335 nan 8.230 nan 0.000 0.431 323 W N 0.805 122.143 121.300 0.063 0.000 2.338 323 W HA -0.213 4.474 4.660 0.044 0.000 0.304 323 W C 2.221 178.770 176.519 0.051 0.000 1.212 323 W CA 2.169 59.562 57.345 0.080 0.000 1.264 323 W CB -0.102 29.409 29.460 0.086 0.000 1.142 323 W HN 0.371 nan 8.180 nan 0.000 0.512 324 E N -0.171 120.208 120.200 0.297 0.000 2.158 324 E HA -0.096 4.280 4.350 0.043 0.000 0.191 324 E C 2.360 178.991 176.600 0.052 0.000 0.982 324 E CA 0.885 57.382 56.400 0.162 0.000 0.823 324 E CB -0.289 29.459 29.700 0.079 0.000 0.766 324 E HN 0.164 nan 8.360 nan 0.000 0.468 325 A N 1.389 124.236 122.820 0.045 0.000 1.877 325 A HA -0.186 4.160 4.320 0.043 0.000 0.216 325 A C 2.162 179.756 177.584 0.018 0.000 1.186 325 A CA 1.108 53.159 52.037 0.024 0.000 0.620 325 A CB -0.578 18.436 19.000 0.024 0.000 0.822 325 A HN 0.140 nan 8.150 nan 0.000 0.443 326 I N -0.472 120.135 120.570 0.062 0.000 2.286 326 I HA -0.237 3.959 4.170 0.043 0.000 0.248 326 I C 2.411 178.586 176.117 0.097 0.000 1.115 326 I CA 1.431 62.820 61.300 0.149 0.000 1.392 326 I CB -0.441 37.590 38.000 0.051 0.000 1.065 326 I HN 0.433 nan 8.210 nan 0.000 0.418 327 E N 0.804 121.015 120.200 0.018 0.000 2.204 327 E HA -0.154 4.222 4.350 0.043 0.000 0.194 327 E C 2.163 178.772 176.600 0.014 0.000 0.989 327 E CA 1.111 57.535 56.400 0.039 0.000 0.824 327 E CB -0.031 29.727 29.700 0.097 0.000 0.756 327 E HN 0.502 nan 8.360 nan 0.000 0.477 328 A N 0.095 122.896 122.820 -0.032 0.000 2.123 328 A HA 0.211 4.557 4.320 0.043 0.000 0.214 328 A C 1.802 179.297 177.584 -0.149 0.000 1.152 328 A CA 0.950 52.945 52.037 -0.069 0.000 0.728 328 A CB -0.058 18.898 19.000 -0.072 0.000 0.814 328 A HN 0.323 nan 8.150 nan 0.000 0.464 329 G N -0.288 108.315 108.800 -0.328 0.000 2.141 329 G HA2 -0.201 3.785 3.960 0.043 0.000 0.242 329 G HA3 -0.201 3.785 3.960 0.043 0.000 0.242 329 G C -0.238 174.120 174.900 -0.902 0.000 0.982 329 G CA 0.248 44.798 45.100 -0.916 0.000 0.662 329 G HN 0.438 nan 8.290 nan 0.000 0.527 330 D N 0.937 121.087 120.400 -0.417 0.000 2.885 330 D HA 0.247 4.913 4.640 0.043 0.000 0.234 330 D C 0.838 177.044 176.300 -0.156 0.000 1.129 330 D CA -0.037 53.826 54.000 -0.229 0.000 0.991 330 D CB -0.727 40.044 40.800 -0.048 0.000 1.137 330 D HN 0.445 nan 8.370 nan 0.000 0.459 331 F N 1.222 121.176 119.950 0.006 0.000 2.608 331 F HA 0.092 4.645 4.527 0.043 0.000 0.380 331 F C -1.347 174.429 175.800 -0.040 0.000 1.083 331 F CA -1.933 56.064 58.000 -0.005 0.000 1.266 331 F CB -0.075 38.934 39.000 0.013 0.000 1.076 331 F HN -0.097 nan 8.300 nan 0.000 0.574 332 P HA 0.005 nan 4.420 nan 0.000 0.261 332 P C -1.062 176.187 177.300 -0.085 0.000 1.183 332 P CA 0.442 63.535 63.100 -0.012 0.000 0.761 332 P CB 0.413 32.206 31.700 0.156 0.000 0.785 333 E N 2.386 122.383 120.200 -0.339 0.000 2.238 333 E HA 0.488 4.864 4.350 0.043 0.000 0.267 333 E C -1.051 175.236 176.600 -0.523 0.000 0.887 333 E CA -0.579 55.673 56.400 -0.246 0.000 0.769 333 E CB 1.510 31.171 29.700 -0.065 0.000 1.187 333 E HN 0.376 nan 8.360 nan 0.000 0.416 334 Y N 0.262 120.639 120.300 0.127 0.000 2.457 334 Y HA 0.234 4.810 4.550 0.043 0.000 0.343 334 Y C -0.296 175.844 175.900 0.400 0.000 0.994 334 Y CA -0.980 57.273 58.100 0.255 0.000 1.031 334 Y CB 2.001 40.587 38.460 0.209 0.000 1.246 334 Y HN 0.469 nan 8.280 nan 0.000 0.449 335 E N 2.901 123.432 120.200 0.552 0.000 2.174 335 E HA 0.382 4.758 4.350 0.043 0.000 0.282 335 E C -1.432 175.468 176.600 0.500 0.000 0.992 335 E CA -0.928 55.756 56.400 0.473 0.000 0.803 335 E CB 1.004 30.912 29.700 0.346 0.000 1.090 335 E HN 0.603 nan 8.360 nan 0.000 0.396 336 L N 4.429 125.872 121.223 0.367 0.000 2.367 336 L HA 0.485 4.851 4.340 0.043 0.000 0.275 336 L C -0.052 176.762 176.870 -0.093 0.000 1.129 336 L CA 0.591 55.339 54.840 -0.153 0.000 0.839 336 L CB 1.010 42.908 42.059 -0.268 0.000 1.133 336 L HN 0.583 nan 8.230 nan 0.000 0.453 337 G N 4.378 113.136 108.800 -0.069 0.000 2.563 337 G HA2 0.560 4.546 3.960 0.043 0.000 0.302 337 G HA3 0.560 4.546 3.960 0.043 0.000 0.302 337 G C -1.577 173.482 174.900 0.265 0.000 1.301 337 G CA -0.545 44.550 45.100 -0.007 0.000 0.965 337 G HN 0.467 nan 8.290 nan 0.000 0.480 338 F N 0.303 120.280 119.950 0.046 0.000 2.467 338 F HA 0.362 4.914 4.527 0.043 0.000 0.336 338 F C 0.434 176.241 175.800 0.011 0.000 1.123 338 F CA -0.958 57.073 58.000 0.052 0.000 0.964 338 F CB 2.451 41.466 39.000 0.024 0.000 1.136 338 F HN 0.142 nan 8.300 nan 0.000 0.447 339 Q N 4.437 124.365 119.800 0.213 0.000 2.294 339 Q HA 0.453 4.819 4.340 0.043 0.000 0.257 339 Q C -1.004 175.052 176.000 0.092 0.000 0.955 339 Q CA -0.356 55.518 55.803 0.117 0.000 0.936 339 Q CB 1.833 30.647 28.738 0.126 0.000 1.188 339 Q HN 0.540 nan 8.270 nan 0.000 0.420 340 L N 4.238 125.520 121.223 0.098 0.000 2.322 340 L HA 0.569 4.935 4.340 0.043 0.000 0.281 340 L C -0.768 176.162 176.870 0.101 0.000 1.014 340 L CA -0.782 54.104 54.840 0.077 0.000 0.815 340 L CB 1.215 43.324 42.059 0.083 0.000 1.247 340 L HN 0.506 nan 8.230 nan 0.000 0.421 341 I N 4.273 124.918 120.570 0.125 0.000 2.447 341 I HA 0.402 4.598 4.170 0.043 0.000 0.287 341 I C -2.349 173.874 176.117 0.176 0.000 1.023 341 I CA -1.824 59.591 61.300 0.192 0.000 1.083 341 I CB 1.873 40.031 38.000 0.263 0.000 1.245 341 I HN 0.308 nan 8.210 nan 0.000 0.434 342 P HA 0.056 nan 4.420 nan 0.000 0.269 342 P C 0.711 178.050 177.300 0.065 0.000 1.209 342 P CA -0.215 62.904 63.100 0.030 0.000 0.776 342 P CB 0.797 32.511 31.700 0.024 0.000 0.876 343 E N 2.726 122.871 120.200 -0.092 0.000 2.130 343 E HA -0.273 4.103 4.350 0.043 0.000 0.196 343 E C 1.269 177.942 176.600 0.121 0.000 0.998 343 E CA 1.199 57.557 56.400 -0.070 0.000 0.806 343 E CB 0.025 29.598 29.700 -0.212 0.000 0.738 343 E HN 0.500 nan 8.360 nan 0.000 0.459 344 E N 0.044 120.285 120.200 0.068 0.000 2.516 344 E HA -0.147 4.229 4.350 0.043 0.000 0.199 344 E C 0.267 176.910 176.600 0.070 0.000 1.069 344 E CA 0.683 57.130 56.400 0.077 0.000 0.876 344 E CB 0.121 29.849 29.700 0.047 0.000 0.843 344 E HN 0.249 nan 8.360 nan 0.000 0.530 345 D N 1.263 121.706 120.400 0.071 0.000 2.368 345 D HA 0.003 4.669 4.640 0.043 0.000 0.218 345 D C 1.312 177.597 176.300 -0.024 0.000 1.112 345 D CA -0.010 53.995 54.000 0.009 0.000 0.834 345 D CB 0.243 41.054 40.800 0.018 0.000 0.953 345 D HN 0.387 nan 8.370 nan 0.000 0.505 346 E N -0.125 120.038 120.200 -0.061 0.000 2.114 346 E HA -0.205 4.171 4.350 0.043 0.000 0.199 346 E C 0.388 176.646 176.600 -0.570 0.000 1.008 346 E CA 1.188 57.340 56.400 -0.414 0.000 0.810 346 E CB 0.014 29.297 29.700 -0.694 0.000 0.739 346 E HN 0.263 nan 8.360 nan 0.000 0.456 347 F N -0.511 119.421 119.950 -0.031 0.000 2.684 347 F HA 0.296 4.849 4.527 0.043 0.000 0.298 347 F C 1.266 176.969 175.800 -0.162 0.000 1.120 347 F CA -0.352 57.607 58.000 -0.069 0.000 1.332 347 F CB 0.615 39.591 39.000 -0.040 0.000 0.986 347 F HN -0.195 nan 8.300 nan 0.000 0.524 348 K N 0.163 120.435 120.400 -0.213 0.000 2.487 348 K HA 0.109 4.455 4.320 0.043 0.000 0.192 348 K C -0.240 175.938 176.600 -0.704 0.000 1.027 348 K CA 0.428 56.438 56.287 -0.462 0.000 1.054 348 K CB 0.159 32.317 32.500 -0.570 0.000 0.824 348 K HN 0.174 nan 8.250 nan 0.000 0.510 349 F N -0.397 119.408 119.950 -0.241 0.000 2.572 349 F HA 0.163 4.716 4.527 0.044 0.000 0.342 349 F C 1.242 176.865 175.800 -0.296 0.000 1.064 349 F CA -1.038 56.729 58.000 -0.389 0.000 1.008 349 F CB 0.710 39.123 39.000 -0.979 0.000 1.303 349 F HN -0.231 nan 8.300 nan 0.000 0.492 350 D N 0.214 120.642 120.400 0.046 0.000 2.371 350 D HA 0.016 4.682 4.640 0.043 0.000 0.221 350 D C -0.354 176.058 176.300 0.188 0.000 0.986 350 D CA 0.970 55.057 54.000 0.145 0.000 0.899 350 D CB -0.185 40.786 40.800 0.284 0.000 0.902 350 D HN 0.262 nan 8.370 nan 0.000 0.530 351 F N -1.525 118.513 119.950 0.147 0.000 2.640 351 F HA 0.489 5.042 4.527 0.043 0.000 0.324 351 F C -0.257 175.544 175.800 0.002 0.000 1.077 351 F CA -1.575 56.435 58.000 0.017 0.000 0.965 351 F CB 0.842 39.806 39.000 -0.059 0.000 1.351 351 F HN -0.420 nan 8.300 nan 0.000 0.487 352 D N 1.427 121.878 120.400 0.084 0.000 2.249 352 D HA 0.249 4.915 4.640 0.043 0.000 0.246 352 D C 0.968 177.239 176.300 -0.048 0.000 1.114 352 D CA -0.158 53.827 54.000 -0.024 0.000 0.854 352 D CB 1.593 42.376 40.800 -0.027 0.000 1.132 352 D HN 0.736 nan 8.370 nan 0.000 0.461 353 L N 3.351 124.484 121.223 -0.150 0.000 2.261 353 L HA -0.130 4.236 4.340 0.043 0.000 0.216 353 L C 1.964 178.722 176.870 -0.187 0.000 1.114 353 L CA 0.712 55.442 54.840 -0.184 0.000 0.777 353 L CB -0.097 41.716 42.059 -0.410 0.000 0.910 353 L HN 0.450 nan 8.230 nan 0.000 0.440 354 L N -0.833 120.297 121.223 -0.155 0.000 2.591 354 L HA 0.057 4.423 4.340 0.043 0.000 0.228 354 L C 0.423 177.229 176.870 -0.106 0.000 1.133 354 L CA -0.111 54.700 54.840 -0.049 0.000 0.880 354 L CB -0.228 41.915 42.059 0.140 0.000 1.033 354 L HN 0.111 nan 8.230 nan 0.000 0.450 355 D N 1.669 121.789 120.400 -0.467 0.000 2.359 355 D HA 0.135 4.801 4.640 0.043 0.000 0.230 355 D C -1.744 174.334 176.300 -0.369 0.000 1.118 355 D CA -2.269 51.199 54.000 -0.888 0.000 0.844 355 D CB 1.651 41.658 40.800 -1.321 0.000 1.059 355 D HN -0.079 nan 8.370 nan 0.000 0.493 356 P HA 0.010 nan 4.420 nan 0.000 0.249 356 P C 0.834 178.037 177.300 -0.163 0.000 1.229 356 P CA 0.388 63.412 63.100 -0.126 0.000 0.788 356 P CB -0.078 31.629 31.700 0.012 0.000 1.072 357 T N -4.271 110.179 114.554 -0.173 0.000 3.107 357 T HA 0.143 4.519 4.350 0.043 0.000 0.249 357 T C 0.739 175.345 174.700 -0.157 0.000 1.096 357 T CA -0.004 62.003 62.100 -0.155 0.000 1.012 357 T CB -0.218 68.605 68.868 -0.075 0.000 0.977 357 T HN -0.153 nan 8.240 nan 0.000 0.527 358 K N 2.124 122.335 120.400 -0.315 0.000 2.221 358 K HA 0.567 4.913 4.320 0.043 0.000 0.258 358 K C -0.297 176.110 176.600 -0.321 0.000 0.944 358 K CA -0.917 55.045 56.287 -0.542 0.000 0.823 358 K CB 2.062 34.124 32.500 -0.730 0.000 1.113 358 K HN 0.298 nan 8.250 nan 0.000 0.431 359 L N -0.214 120.959 121.223 -0.083 0.000 2.375 359 L HA 0.634 5.000 4.340 0.043 0.000 0.268 359 L C 0.013 176.698 176.870 -0.309 0.000 1.058 359 L CA -0.433 54.316 54.840 -0.151 0.000 0.803 359 L CB 0.260 42.303 42.059 -0.026 0.000 1.212 359 L HN 0.436 nan 8.230 nan 0.000 0.451 360 I N 1.636 122.119 120.570 -0.145 0.000 2.306 360 I HA 0.360 4.556 4.170 0.043 0.000 0.288 360 I C -2.104 174.019 176.117 0.011 0.000 1.036 360 I CA -1.691 59.575 61.300 -0.057 0.000 1.221 360 I CB 0.968 38.960 38.000 -0.012 0.000 1.385 360 I HN 0.449 nan 8.210 nan 0.000 0.472 361 P HA 0.055 nan 4.420 nan 0.000 0.268 361 P C 0.367 177.719 177.300 0.086 0.000 1.204 361 P CA -0.006 63.126 63.100 0.053 0.000 0.768 361 P CB 0.649 32.371 31.700 0.037 0.000 0.842 362 E N 1.683 121.946 120.200 0.105 0.000 2.204 362 E HA -0.208 4.168 4.350 0.043 0.000 0.195 362 E C 1.407 178.054 176.600 0.077 0.000 0.990 362 E CA 0.821 57.273 56.400 0.087 0.000 0.821 362 E CB 0.002 29.757 29.700 0.092 0.000 0.750 362 E HN 0.506 nan 8.360 nan 0.000 0.477 363 E N 0.343 120.590 120.200 0.078 0.000 2.153 363 E HA -0.156 4.220 4.350 0.043 0.000 0.194 363 E C 2.035 178.693 176.600 0.097 0.000 0.988 363 E CA 0.817 57.262 56.400 0.075 0.000 0.811 363 E CB 0.058 29.797 29.700 0.065 0.000 0.746 363 E HN 0.371 nan 8.360 nan 0.000 0.466 364 L N -0.534 120.764 121.223 0.125 0.000 2.253 364 L HA 0.059 4.425 4.340 0.043 0.000 0.205 364 L C 0.606 177.588 176.870 0.186 0.000 1.078 364 L CA 0.353 55.305 54.840 0.187 0.000 0.805 364 L CB 0.504 42.730 42.059 0.279 0.000 0.963 364 L HN -0.213 nan 8.230 nan 0.000 0.459 365 V N 1.462 121.455 119.914 0.132 0.000 2.445 365 V HA 0.306 4.452 4.120 0.043 0.000 0.283 365 V C -2.371 173.765 176.094 0.070 0.000 1.014 365 V CA -1.429 60.940 62.300 0.114 0.000 0.852 365 V CB 1.431 33.312 31.823 0.098 0.000 1.021 365 V HN -0.051 nan 8.190 nan 0.000 0.435 366 P HA 0.158 nan 4.420 nan 0.000 0.272 366 P C -0.221 177.079 177.300 -0.001 0.000 1.223 366 P CA 0.029 63.147 63.100 0.030 0.000 0.784 366 P CB 1.033 32.754 31.700 0.036 0.000 0.923 367 V N 2.910 122.790 119.914 -0.057 0.000 2.455 367 V HA 0.087 4.233 4.120 0.043 0.000 0.273 367 V C 0.837 176.919 176.094 -0.020 0.000 1.045 367 V CA 0.081 62.317 62.300 -0.108 0.000 0.976 367 V CB 0.197 31.863 31.823 -0.261 0.000 0.993 367 V HN 0.543 nan 8.190 nan 0.000 0.475 368 Q N 6.229 126.038 119.800 0.015 0.000 2.274 368 Q HA 0.358 4.724 4.340 0.043 0.000 0.256 368 Q C 0.354 176.345 176.000 -0.015 0.000 0.927 368 Q CA -0.791 55.023 55.803 0.018 0.000 0.939 368 Q CB 0.801 29.564 28.738 0.041 0.000 1.201 368 Q HN 0.818 nan 8.270 nan 0.000 0.426 369 R N 2.222 122.736 120.500 0.024 0.000 2.543 369 R HA 0.128 4.494 4.340 0.043 0.000 0.277 369 R C -0.626 175.694 176.300 0.033 0.000 1.074 369 R CA -0.326 55.825 56.100 0.084 0.000 1.076 369 R CB 0.794 31.212 30.300 0.198 0.000 0.993 369 R HN 0.518 nan 8.270 nan 0.000 0.459 370 V N 1.472 121.334 119.914 -0.087 0.000 3.137 370 V HA 0.331 4.477 4.120 0.043 0.000 0.236 370 V C 0.798 176.663 176.094 -0.382 0.000 1.260 370 V CA 1.099 63.225 62.300 -0.290 0.000 1.244 370 V CB 0.818 32.186 31.823 -0.757 0.000 1.016 370 V HN 1.068 nan 8.190 nan 0.000 0.477 371 G N -0.303 108.169 108.800 -0.548 0.000 2.430 371 G HA2 0.495 4.480 3.960 0.043 0.000 0.300 371 G HA3 0.495 4.480 3.960 0.043 0.000 0.300 371 G C -1.851 172.665 174.900 -0.641 0.000 1.330 371 G CA -0.518 43.907 45.100 -1.125 0.000 0.813 371 G HN 0.065 nan 8.290 nan 0.000 0.487 372 K N -0.488 119.546 120.400 -0.610 0.000 2.371 372 K HA 0.751 5.097 4.320 0.043 0.000 0.251 372 K C -0.859 175.747 176.600 0.011 0.000 0.934 372 K CA -0.776 55.467 56.287 -0.074 0.000 0.798 372 K CB 2.064 34.568 32.500 0.007 0.000 1.204 372 K HN 0.596 nan 8.250 nan 0.000 0.427 373 M N 4.527 124.277 119.600 0.249 0.000 2.321 373 M HA 0.436 4.942 4.480 0.043 0.000 0.315 373 M C -1.792 174.485 176.300 -0.038 0.000 1.052 373 M CA -0.768 54.625 55.300 0.155 0.000 0.936 373 M CB 1.774 34.511 32.600 0.229 0.000 1.639 373 M HN 0.373 nan 8.290 nan 0.000 0.433 374 V N 6.004 125.738 119.914 -0.300 0.000 2.588 374 V HA 0.490 4.636 4.120 0.043 0.000 0.304 374 V C -0.699 175.286 176.094 -0.182 0.000 1.042 374 V CA -0.728 61.429 62.300 -0.239 0.000 0.877 374 V CB 2.006 33.577 31.823 -0.420 0.000 0.996 374 V HN 0.808 nan 8.190 nan 0.000 0.425 375 L N 5.242 126.441 121.223 -0.040 0.000 2.280 375 L HA 0.535 4.900 4.340 0.043 0.000 0.287 375 L C 0.354 177.175 176.870 -0.081 0.000 1.023 375 L CA -0.339 54.479 54.840 -0.037 0.000 0.819 375 L CB 1.198 43.273 42.059 0.026 0.000 1.212 375 L HN 0.864 nan 8.230 nan 0.000 0.420 376 N N 2.072 120.643 118.700 -0.216 0.000 2.194 376 N HA 0.134 4.900 4.740 0.043 0.000 0.231 376 N C -0.058 175.314 175.510 -0.230 0.000 1.247 376 N CA -0.388 52.329 53.050 -0.556 0.000 0.884 376 N CB 0.784 38.630 38.487 -1.067 0.000 1.146 376 N HN 0.424 nan 8.380 nan 0.000 0.516 377 R N 0.599 121.051 120.500 -0.081 0.000 2.515 377 R HA 0.303 4.669 4.340 0.043 0.000 0.278 377 R C -1.116 175.140 176.300 -0.074 0.000 1.107 377 R CA -0.513 55.549 56.100 -0.062 0.000 0.945 377 R CB 1.431 31.704 30.300 -0.044 0.000 1.219 377 R HN 0.111 nan 8.270 nan 0.000 0.434 378 N N 3.196 121.725 118.700 -0.285 0.000 2.415 378 N HA 0.220 4.986 4.740 0.043 0.000 0.248 378 N C -2.190 173.259 175.510 -0.103 0.000 1.271 378 N CA -1.001 51.737 53.050 -0.519 0.000 0.913 378 N CB 0.327 37.824 38.487 -1.649 0.000 1.129 378 N HN 0.269 nan 8.380 nan 0.000 0.444 379 P HA 0.119 nan 4.420 nan 0.000 0.274 379 P C 0.154 177.644 177.300 0.316 0.000 1.260 379 P CA -0.145 63.148 63.100 0.323 0.000 0.793 379 P CB 0.980 32.916 31.700 0.394 0.000 1.048 380 D N -1.011 119.544 120.400 0.258 0.000 2.149 380 D HA -0.031 4.635 4.640 0.043 0.000 0.206 380 D C 0.463 176.939 176.300 0.294 0.000 0.967 380 D CA 1.418 55.567 54.000 0.248 0.000 0.848 380 D CB 0.162 41.048 40.800 0.144 0.000 0.998 380 D HN 0.387 nan 8.370 nan 0.000 0.474 381 N N -0.258 118.607 118.700 0.276 0.000 2.461 381 N HA 0.013 4.779 4.740 0.043 0.000 0.284 381 N C 0.036 175.755 175.510 0.349 0.000 1.049 381 N CA -0.332 52.895 53.050 0.294 0.000 0.889 381 N CB 1.591 40.218 38.487 0.233 0.000 1.365 381 N HN -0.147 nan 8.380 nan 0.000 0.499 382 F N 4.333 124.436 119.950 0.254 0.000 2.095 382 F HA -0.178 4.374 4.527 0.041 0.000 0.298 382 F C 1.697 177.634 175.800 0.229 0.000 1.104 382 F CA 1.491 59.644 58.000 0.255 0.000 1.232 382 F CB -0.104 39.020 39.000 0.207 0.000 0.987 382 F HN 0.600 nan 8.300 nan 0.000 0.475 383 F N 0.869 121.086 119.950 0.445 0.000 2.095 383 F HA -0.179 4.382 4.527 0.058 0.000 0.298 383 F C 2.293 178.156 175.800 0.105 0.000 1.104 383 F CA 1.823 59.986 58.000 0.271 0.000 1.232 383 F CB -0.874 38.257 39.000 0.218 0.000 0.987 383 F HN 0.006 nan 8.300 nan 0.000 0.475 384 A N -0.370 122.574 122.820 0.206 0.000 1.930 384 A HA -0.136 4.210 4.320 0.043 0.000 0.217 384 A C 2.074 179.590 177.584 -0.114 0.000 1.175 384 A CA 1.879 53.954 52.037 0.063 0.000 0.627 384 A CB -0.630 18.462 19.000 0.154 0.000 0.815 384 A HN 0.582 nan 8.150 nan 0.000 0.443 385 E N -1.192 118.955 120.200 -0.088 0.000 2.162 385 E HA -0.063 4.313 4.350 0.043 0.000 0.193 385 E C 1.929 178.429 176.600 -0.166 0.000 0.953 385 E CA 0.527 56.810 56.400 -0.194 0.000 0.849 385 E CB -0.109 29.533 29.700 -0.097 0.000 0.810 385 E HN 0.568 nan 8.360 nan 0.000 0.470 386 N N 1.283 119.875 118.700 -0.180 0.000 2.240 386 N HA -0.146 4.620 4.740 0.043 0.000 0.187 386 N C 1.829 177.165 175.510 -0.290 0.000 1.042 386 N CA 1.249 54.139 53.050 -0.265 0.000 0.861 386 N CB 0.019 37.931 38.487 -0.958 0.000 1.026 386 N HN -0.088 nan 8.380 nan 0.000 0.441 387 E N 0.908 120.868 120.200 -0.399 0.000 2.097 387 E HA -0.149 4.227 4.350 0.043 0.000 0.196 387 E C 1.736 178.159 176.600 -0.294 0.000 1.000 387 E CA 1.627 57.876 56.400 -0.251 0.000 0.804 387 E CB -0.179 29.384 29.700 -0.229 0.000 0.740 387 E HN 0.502 nan 8.360 nan 0.000 0.454 388 Q N -0.476 119.078 119.800 -0.409 0.000 2.451 388 Q HA 0.218 4.583 4.340 0.043 0.000 0.206 388 Q C 0.014 175.897 176.000 -0.195 0.000 0.947 388 Q CA 0.249 55.859 55.803 -0.322 0.000 0.937 388 Q CB 0.394 28.919 28.738 -0.354 0.000 1.025 388 Q HN 0.223 nan 8.270 nan 0.000 0.511 389 A N 1.106 123.832 122.820 -0.158 0.000 2.477 389 A HA 0.475 4.821 4.320 0.043 0.000 0.246 389 A C -0.189 177.284 177.584 -0.186 0.000 1.078 389 A CA 0.088 52.004 52.037 -0.202 0.000 0.770 389 A CB 0.289 19.223 19.000 -0.109 0.000 1.011 389 A HN 0.261 nan 8.150 nan 0.000 0.494 390 A N 2.457 125.117 122.820 -0.268 0.000 2.310 390 A HA 0.700 5.045 4.320 0.043 0.000 0.304 390 A C -0.799 176.672 177.584 -0.187 0.000 1.231 390 A CA -0.390 51.564 52.037 -0.139 0.000 0.799 390 A CB 0.180 19.122 19.000 -0.096 0.000 1.162 390 A HN 0.633 nan 8.150 nan 0.000 0.486 391 F N 1.007 120.979 119.950 0.038 0.000 2.458 391 F HA 0.655 5.208 4.527 0.042 0.000 0.330 391 F C 0.330 176.128 175.800 -0.003 0.000 1.082 391 F CA -0.034 57.966 58.000 -0.000 0.000 0.995 391 F CB 2.021 40.964 39.000 -0.095 0.000 1.170 391 F HN 0.750 nan 8.300 nan 0.000 0.478 392 H N 3.231 122.190 119.070 -0.184 0.000 3.099 392 H HA 0.267 4.849 4.556 0.043 0.000 0.342 392 H C -2.474 172.481 175.328 -0.622 0.000 1.054 392 H CA -1.697 53.994 56.048 -0.594 0.000 1.328 392 H CB 2.676 32.012 29.762 -0.710 0.000 1.876 392 H HN 0.197 nan 8.280 nan 0.000 0.495 393 P HA -0.023 nan 4.420 nan 0.000 0.226 393 P C 1.166 178.330 177.300 -0.228 0.000 1.153 393 P CA 1.360 64.130 63.100 -0.549 0.000 0.777 393 P CB 0.112 31.529 31.700 -0.473 0.000 0.794 394 G N -0.727 107.713 108.800 -0.600 0.000 2.509 394 G HA2 -0.178 3.808 3.960 0.043 0.000 0.218 394 G HA3 -0.178 3.808 3.960 0.043 0.000 0.218 394 G C 0.558 175.667 174.900 0.348 0.000 1.124 394 G CA 0.054 45.195 45.100 0.069 0.000 0.776 394 G HN 0.447 nan 8.290 nan 0.000 0.547 395 H N 0.803 119.990 119.070 0.196 0.000 3.392 395 H HA 0.307 4.889 4.556 0.043 0.000 0.253 395 H C 0.630 176.070 175.328 0.187 0.000 1.682 395 H CA -0.787 55.347 56.048 0.145 0.000 1.535 395 H CB -0.298 29.514 29.762 0.084 0.000 1.823 395 H HN 0.406 nan 8.280 nan 0.000 0.576 396 I N -0.688 120.019 120.570 0.228 0.000 3.205 396 I HA 0.661 4.857 4.170 0.043 0.000 0.310 396 I C -0.059 176.045 176.117 -0.022 0.000 1.089 396 I CA -1.401 59.954 61.300 0.092 0.000 1.023 396 I CB 1.755 39.698 38.000 -0.095 0.000 1.269 396 I HN 0.081 nan 8.210 nan 0.000 0.512 397 V N -2.368 117.512 119.914 -0.057 0.000 3.102 397 V HA 0.674 4.820 4.120 0.043 0.000 0.312 397 V C -2.848 173.339 176.094 0.156 0.000 1.135 397 V CA -2.539 59.787 62.300 0.045 0.000 1.022 397 V CB 1.023 32.861 31.823 0.025 0.000 1.056 397 V HN 0.633 nan 8.190 nan 0.000 0.436 398 P HA 0.359 nan 4.420 nan 0.000 0.262 398 P C 0.917 178.216 177.300 -0.003 0.000 1.182 398 P CA 2.021 65.198 63.100 0.128 0.000 0.761 398 P CB 0.650 32.401 31.700 0.085 0.000 0.795 399 G N 1.680 110.433 108.800 -0.080 0.000 2.238 399 G HA2 -0.158 3.828 3.960 0.043 0.000 0.217 399 G HA3 -0.158 3.828 3.960 0.043 0.000 0.217 399 G C -0.254 174.553 174.900 -0.154 0.000 0.996 399 G CA -0.398 44.631 45.100 -0.119 0.000 0.632 399 G HN 0.449 nan 8.290 nan 0.000 0.503 400 L N 0.118 121.263 121.223 -0.130 0.000 2.323 400 L HA 0.937 5.303 4.340 0.043 0.000 0.265 400 L C -0.444 176.370 176.870 -0.094 0.000 1.012 400 L CA -1.070 53.674 54.840 -0.160 0.000 0.820 400 L CB 2.037 43.922 42.059 -0.291 0.000 1.334 400 L HN 0.098 nan 8.230 nan 0.000 0.427 401 D N -0.608 119.721 120.400 -0.119 0.000 2.665 401 D HA 0.453 5.119 4.640 0.043 0.000 0.287 401 D C -1.195 175.021 176.300 -0.139 0.000 1.266 401 D CA -0.396 53.484 54.000 -0.201 0.000 0.830 401 D CB 1.783 42.545 40.800 -0.063 0.000 1.356 401 D HN 0.140 nan 8.370 nan 0.000 0.437 402 F N -0.173 119.901 119.950 0.207 0.000 2.348 402 F HA 0.483 5.036 4.527 0.043 0.000 0.308 402 F C 1.565 177.379 175.800 0.023 0.000 1.175 402 F CA -0.213 57.822 58.000 0.059 0.000 1.080 402 F CB 1.040 40.053 39.000 0.021 0.000 1.341 402 F HN 0.218 nan 8.300 nan 0.000 0.518 403 T N -3.186 111.455 114.554 0.146 0.000 2.773 403 T HA 0.299 4.675 4.350 0.043 0.000 0.278 403 T C 0.025 174.764 174.700 0.065 0.000 1.011 403 T CA -0.985 61.195 62.100 0.134 0.000 1.014 403 T CB 1.061 69.987 68.868 0.096 0.000 1.293 403 T HN 0.346 nan 8.240 nan 0.000 0.554 404 N N 1.216 119.959 118.700 0.072 0.000 2.434 404 N HA 0.059 4.825 4.740 0.043 0.000 0.196 404 N C 0.009 175.534 175.510 0.025 0.000 1.183 404 N CA 0.068 53.143 53.050 0.042 0.000 0.849 404 N CB -0.460 38.067 38.487 0.067 0.000 0.992 404 N HN 0.671 nan 8.380 nan 0.000 0.460 405 D N 2.314 122.714 120.400 0.000 0.000 2.570 405 D HA -0.076 4.590 4.640 0.043 0.000 0.243 405 D C -1.392 174.910 176.300 0.005 0.000 1.171 405 D CA -0.895 53.126 54.000 0.035 0.000 0.879 405 D CB 1.206 41.984 40.800 -0.037 0.000 1.143 405 D HN 0.165 nan 8.370 nan 0.000 0.511 406 P HA -0.078 nan 4.420 nan 0.000 0.241 406 P C 1.447 178.763 177.300 0.027 0.000 1.191 406 P CA 0.059 63.176 63.100 0.029 0.000 0.771 406 P CB 0.452 32.160 31.700 0.012 0.000 0.929 407 L N -0.180 121.077 121.223 0.057 0.000 2.084 407 L HA 0.035 4.401 4.340 0.043 0.000 0.202 407 L C 2.366 179.149 176.870 -0.145 0.000 1.074 407 L CA 1.161 56.023 54.840 0.037 0.000 0.757 407 L CB -1.506 40.656 42.059 0.172 0.000 0.918 407 L HN -0.177 nan 8.230 nan 0.000 0.444 408 L N -0.418 120.568 121.223 -0.396 0.000 2.042 408 L HA -0.240 4.126 4.340 0.043 0.000 0.210 408 L C 2.455 179.071 176.870 -0.424 0.000 1.076 408 L CA 1.808 56.193 54.840 -0.758 0.000 0.749 408 L CB -0.931 40.471 42.059 -1.096 0.000 0.893 408 L HN 0.384 nan 8.230 nan 0.000 0.432 409 Q N -0.128 119.499 119.800 -0.288 0.000 2.096 409 Q HA -0.198 4.168 4.340 0.043 0.000 0.208 409 Q C 2.093 178.010 176.000 -0.139 0.000 0.993 409 Q CA 1.985 57.662 55.803 -0.210 0.000 0.862 409 Q CB -0.862 27.805 28.738 -0.118 0.000 0.915 409 Q HN 0.718 nan 8.270 nan 0.000 0.416 410 G N 0.287 109.036 108.800 -0.086 0.000 2.430 410 G HA2 -0.194 3.792 3.960 0.043 0.000 0.216 410 G HA3 -0.194 3.792 3.960 0.043 0.000 0.216 410 G C 1.493 176.404 174.900 0.018 0.000 1.146 410 G CA 0.196 45.292 45.100 -0.006 0.000 0.793 410 G HN 0.249 nan 8.290 nan 0.000 0.537 411 R N -0.025 120.432 120.500 -0.073 0.000 2.117 411 R HA -0.049 4.317 4.340 0.043 0.000 0.243 411 R C 2.485 178.863 176.300 0.130 0.000 1.143 411 R CA 1.130 57.245 56.100 0.025 0.000 0.968 411 R CB -0.534 29.738 30.300 -0.047 0.000 0.863 411 R HN 0.343 nan 8.270 nan 0.000 0.444 412 L N -0.456 120.736 121.223 -0.051 0.000 2.127 412 L HA -0.207 4.159 4.340 0.043 0.000 0.211 412 L C 2.277 179.277 176.870 0.217 0.000 1.089 412 L CA 1.094 55.927 54.840 -0.010 0.000 0.757 412 L CB -0.451 41.446 42.059 -0.270 0.000 0.899 412 L HN 0.171 nan 8.230 nan 0.000 0.434 413 F N 0.067 120.045 119.950 0.048 0.000 2.128 413 F HA -0.178 4.375 4.527 0.044 0.000 0.295 413 F C 2.798 178.627 175.800 0.048 0.000 1.100 413 F CA 1.582 59.603 58.000 0.035 0.000 1.260 413 F CB -0.281 38.721 39.000 0.004 0.000 1.009 413 F HN -0.072 nan 8.300 nan 0.000 0.476 414 S N -0.622 115.081 115.700 0.005 0.000 2.356 414 S HA -0.245 4.251 4.470 0.043 0.000 0.223 414 S C 2.043 176.506 174.600 -0.228 0.000 1.032 414 S CA 1.674 59.766 58.200 -0.181 0.000 1.005 414 S CB -0.814 62.306 63.200 -0.134 0.000 0.867 414 S HN 0.562 nan 8.310 nan 0.000 0.449 415 Y N 1.281 121.557 120.300 -0.041 0.000 2.439 415 Y HA -0.025 4.552 4.550 0.044 0.000 0.292 415 Y C 2.820 178.344 175.900 -0.626 0.000 1.130 415 Y CA 1.136 59.206 58.100 -0.051 0.000 1.254 415 Y CB -0.429 38.936 38.460 1.508 0.000 1.000 415 Y HN 0.284 nan 8.280 nan 0.000 0.554 416 T N -0.835 113.304 114.554 -0.693 0.000 2.814 416 T HA -0.157 4.219 4.350 0.043 0.000 0.254 416 T C 1.401 175.872 174.700 -0.381 0.000 1.037 416 T CA 1.403 63.216 62.100 -0.479 0.000 1.143 416 T CB -0.396 68.270 68.868 -0.337 0.000 0.866 416 T HN 0.301 nan 8.240 nan 0.000 0.431 417 D N 0.927 121.039 120.400 -0.480 0.000 2.106 417 D HA -0.151 4.515 4.640 0.043 0.000 0.191 417 D C 2.250 178.376 176.300 -0.289 0.000 0.997 417 D CA 1.790 55.525 54.000 -0.442 0.000 0.834 417 D CB -0.520 39.819 40.800 -0.769 0.000 0.956 417 D HN 0.255 nan 8.370 nan 0.000 0.448 418 T N -1.077 113.302 114.554 -0.292 0.000 2.881 418 T HA -0.138 4.238 4.350 0.043 0.000 0.270 418 T C 1.620 176.186 174.700 -0.222 0.000 1.068 418 T CA 1.186 63.160 62.100 -0.210 0.000 1.131 418 T CB -0.215 68.532 68.868 -0.202 0.000 0.871 418 T HN 0.156 nan 8.240 nan 0.000 0.479 419 Q N 0.622 120.213 119.800 -0.348 0.000 2.291 419 Q HA 0.011 4.377 4.340 0.043 0.000 0.205 419 Q C 2.225 178.095 176.000 -0.217 0.000 0.970 419 Q CA 0.681 56.221 55.803 -0.439 0.000 0.876 419 Q CB -0.403 27.650 28.738 -1.141 0.000 0.935 419 Q HN 0.515 nan 8.270 nan 0.000 0.455 420 I N 0.981 121.475 120.570 -0.127 0.000 2.286 420 I HA -0.197 3.999 4.170 0.043 0.000 0.248 420 I C 2.329 178.437 176.117 -0.016 0.000 1.115 420 I CA 1.629 62.918 61.300 -0.018 0.000 1.392 420 I CB -1.361 36.636 38.000 -0.005 0.000 1.065 420 I HN 0.190 nan 8.210 nan 0.000 0.418 421 S N 0.552 116.229 115.700 -0.038 0.000 2.387 421 S HA -0.085 4.411 4.470 0.043 0.000 0.221 421 S C 2.183 176.770 174.600 -0.022 0.000 1.041 421 S CA 0.248 58.438 58.200 -0.017 0.000 0.959 421 S CB -0.437 62.757 63.200 -0.010 0.000 0.843 421 S HN 0.294 nan 8.310 nan 0.000 0.488 422 R N 0.974 121.442 120.500 -0.052 0.000 2.091 422 R HA 0.101 4.467 4.340 0.043 0.000 0.238 422 R C 1.403 177.681 176.300 -0.038 0.000 1.136 422 R CA 1.582 57.654 56.100 -0.046 0.000 0.959 422 R CB -0.289 29.963 30.300 -0.080 0.000 0.856 422 R HN 0.469 nan 8.270 nan 0.000 0.437 423 L N -0.928 120.261 121.223 -0.057 0.000 2.857 423 L HA 0.326 4.692 4.340 0.043 0.000 0.249 423 L C 0.841 177.725 176.870 0.023 0.000 1.172 423 L CA 0.305 55.132 54.840 -0.021 0.000 0.980 423 L CB 1.125 43.162 42.059 -0.037 0.000 1.299 423 L HN 0.600 nan 8.230 nan 0.000 0.535 424 G N -0.015 108.798 108.800 0.021 0.000 2.176 424 G HA2 -0.118 3.868 3.960 0.043 0.000 0.253 424 G HA3 -0.118 3.868 3.960 0.043 0.000 0.253 424 G C 0.467 175.403 174.900 0.059 0.000 0.979 424 G CA 0.003 45.123 45.100 0.034 0.000 0.641 424 G HN 0.804 nan 8.290 nan 0.000 0.530 425 G N -1.508 107.347 108.800 0.090 0.000 2.362 425 G HA2 0.566 4.551 3.960 0.043 0.000 0.288 425 G HA3 0.566 4.551 3.960 0.043 0.000 0.288 425 G C -2.129 172.898 174.900 0.211 0.000 1.305 425 G CA 0.378 45.548 45.100 0.117 0.000 0.910 425 G HN 0.522 nan 8.290 nan 0.000 0.518 426 P HA 0.129 nan 4.420 nan 0.000 0.249 426 P C 0.337 177.657 177.300 0.034 0.000 1.229 426 P CA 0.345 63.547 63.100 0.171 0.000 0.788 426 P CB 0.191 31.951 31.700 0.099 0.000 1.072 427 N N 0.416 119.129 118.700 0.023 0.000 2.327 427 N HA 0.054 4.820 4.740 0.043 0.000 0.231 427 N C 1.079 176.435 175.510 -0.256 0.000 1.130 427 N CA -0.167 52.798 53.050 -0.143 0.000 0.845 427 N CB -0.701 37.739 38.487 -0.078 0.000 1.073 427 N HN 0.270 nan 8.380 nan 0.000 0.496 428 F N 0.904 120.827 119.950 -0.046 0.000 2.333 428 F HA -0.113 4.439 4.527 0.042 0.000 0.300 428 F C 2.250 177.982 175.800 -0.115 0.000 1.083 428 F CA 0.886 58.837 58.000 -0.081 0.000 1.395 428 F CB -0.804 38.168 39.000 -0.048 0.000 1.056 428 F HN 0.183 nan 8.300 nan 0.000 0.529 429 H N 0.419 119.101 119.070 -0.647 0.000 2.521 429 H HA 0.010 4.592 4.556 0.044 0.000 0.286 429 H C 0.974 176.150 175.328 -0.253 0.000 1.034 429 H CA 1.485 57.267 56.048 -0.445 0.000 1.278 429 H CB -0.780 28.591 29.762 -0.652 0.000 1.386 429 H HN 0.535 nan 8.280 nan 0.000 0.567 430 E N 0.873 120.632 120.200 -0.736 0.000 2.442 430 E HA 0.165 4.541 4.350 0.043 0.000 0.195 430 E C 0.406 176.894 176.600 -0.186 0.000 1.030 430 E CA -0.277 55.873 56.400 -0.415 0.000 0.869 430 E CB 0.441 29.916 29.700 -0.374 0.000 0.857 430 E HN 0.443 nan 8.360 nan 0.000 0.505 431 I N 2.419 122.897 120.570 -0.154 0.000 2.683 431 I HA -0.061 4.135 4.170 0.043 0.000 0.286 431 I C -1.558 174.502 176.117 -0.095 0.000 1.175 431 I CA -1.340 59.902 61.300 -0.097 0.000 1.429 431 I CB 0.530 38.484 38.000 -0.077 0.000 1.371 431 I HN -0.197 nan 8.210 nan 0.000 0.569 432 P HA -0.222 nan 4.420 nan 0.000 0.215 432 P C 1.710 178.942 177.300 -0.113 0.000 1.157 432 P CA 1.229 64.277 63.100 -0.087 0.000 0.874 432 P CB 0.180 31.836 31.700 -0.073 0.000 0.790 433 I N -0.725 119.751 120.570 -0.158 0.000 2.493 433 I HA -0.159 4.037 4.170 0.043 0.000 0.254 433 I C 1.285 177.332 176.117 -0.118 0.000 1.160 433 I CA 1.635 62.796 61.300 -0.231 0.000 1.445 433 I CB -0.644 37.105 38.000 -0.419 0.000 1.086 433 I HN -0.122 nan 8.210 nan 0.000 0.433 434 N N 0.783 119.424 118.700 -0.097 0.000 2.467 434 N HA 0.025 4.791 4.740 0.043 0.000 0.184 434 N C 0.312 175.826 175.510 0.005 0.000 1.106 434 N CA 0.213 53.231 53.050 -0.054 0.000 0.892 434 N CB -0.155 38.315 38.487 -0.028 0.000 0.969 434 N HN 0.374 nan 8.380 nan 0.000 0.454 435 R N 1.701 122.207 120.500 0.011 0.000 2.537 435 R HA 0.131 4.497 4.340 0.043 0.000 0.280 435 R C -2.169 174.201 176.300 0.117 0.000 1.058 435 R CA -1.099 55.016 56.100 0.026 0.000 1.057 435 R CB -0.015 30.286 30.300 0.002 0.000 0.973 435 R HN 0.056 nan 8.270 nan 0.000 0.438 436 P HA -0.004 nan 4.420 nan 0.000 0.272 436 P C 0.525 177.907 177.300 0.135 0.000 1.223 436 P CA -0.100 63.082 63.100 0.137 0.000 0.784 436 P CB 0.775 32.511 31.700 0.059 0.000 0.923 437 T N -1.579 113.071 114.554 0.161 0.000 3.014 437 T HA 0.178 4.554 4.350 0.043 0.000 0.263 437 T C 1.002 175.755 174.700 0.087 0.000 1.078 437 T CA 0.197 62.346 62.100 0.082 0.000 1.135 437 T CB -0.432 68.473 68.868 0.063 0.000 0.895 437 T HN 0.492 nan 8.240 nan 0.000 0.480 438 A N 3.065 125.950 122.820 0.109 0.000 2.425 438 A HA 0.525 4.870 4.320 0.043 0.000 0.242 438 A C -2.150 175.496 177.584 0.103 0.000 1.077 438 A CA -1.253 50.844 52.037 0.101 0.000 0.781 438 A CB -0.455 18.606 19.000 0.102 0.000 1.020 438 A HN 0.295 nan 8.150 nan 0.000 0.494 439 P HA 0.329 nan 4.420 nan 0.000 0.269 439 P C -1.055 176.320 177.300 0.124 0.000 1.209 439 P CA 0.592 63.759 63.100 0.111 0.000 0.776 439 P CB 0.151 31.960 31.700 0.182 0.000 0.876 440 Y N 0.528 120.720 120.300 -0.181 0.000 2.396 440 Y HA 0.649 5.225 4.550 0.043 0.000 0.332 440 Y C -1.549 174.037 175.900 -0.523 0.000 1.034 440 Y CA -0.910 57.067 58.100 -0.205 0.000 1.057 440 Y CB 1.348 39.707 38.460 -0.168 0.000 1.220 440 Y HN 0.436 nan 8.280 nan 0.000 0.440 441 H N 3.962 122.933 119.070 -0.166 0.000 2.947 441 H HA 0.541 5.124 4.556 0.044 0.000 0.354 441 H C -1.153 174.071 175.328 -0.172 0.000 1.085 441 H CA -0.727 55.146 56.048 -0.291 0.000 1.253 441 H CB 1.668 31.290 29.762 -0.233 0.000 1.757 441 H HN 0.902 nan 8.280 nan 0.000 0.523 442 N N 0.487 119.093 118.700 -0.157 0.000 3.441 442 N HA 0.162 4.928 4.740 0.043 0.000 0.313 442 N C -1.207 174.076 175.510 -0.379 0.000 1.526 442 N CA -0.913 51.984 53.050 -0.254 0.000 0.871 442 N CB 0.612 39.107 38.487 0.014 0.000 1.779 442 N HN 0.307 nan 8.380 nan 0.000 0.529 443 F N -0.277 119.720 119.950 0.078 0.000 2.639 443 F HA 0.368 4.921 4.527 0.043 0.000 0.302 443 F C 0.405 176.250 175.800 0.075 0.000 1.097 443 F CA -0.364 57.676 58.000 0.066 0.000 1.294 443 F CB 0.293 39.326 39.000 0.055 0.000 1.027 443 F HN 0.124 nan 8.300 nan 0.000 0.550 444 Q N 1.608 121.525 119.800 0.194 0.000 2.327 444 Q HA 0.442 4.808 4.340 0.043 0.000 0.254 444 Q C -0.028 176.051 176.000 0.132 0.000 0.952 444 Q CA -0.143 55.748 55.803 0.146 0.000 0.884 444 Q CB 1.105 29.900 28.738 0.096 0.000 1.224 444 Q HN 0.085 nan 8.270 nan 0.000 0.422 445 R N 1.849 122.419 120.500 0.117 0.000 2.740 445 R HA 0.373 4.739 4.340 0.043 0.000 0.273 445 R C -0.782 175.568 176.300 0.083 0.000 0.998 445 R CA -0.626 55.535 56.100 0.101 0.000 0.900 445 R CB 1.422 31.785 30.300 0.104 0.000 1.223 445 R HN 0.726 nan 8.270 nan 0.000 0.466 446 D N -0.179 120.262 120.400 0.069 0.000 3.563 446 D HA -0.129 4.537 4.640 0.043 0.000 0.237 446 D C 0.276 176.611 176.300 0.058 0.000 1.680 446 D CA 1.822 55.855 54.000 0.055 0.000 1.151 446 D CB -1.042 39.790 40.800 0.053 0.000 0.751 446 D HN 0.909 nan 8.370 nan 0.000 0.930 447 G N -1.253 107.579 108.800 0.053 0.000 2.712 447 G HA2 0.215 4.201 3.960 0.043 0.000 0.686 447 G HA3 0.215 4.201 3.960 0.043 0.000 0.686 447 G C -0.267 174.668 174.900 0.058 0.000 1.321 447 G CA 0.043 45.178 45.100 0.058 0.000 0.813 447 G HN 0.826 nan 8.290 nan 0.000 0.599 448 M N 1.281 120.921 119.600 0.066 0.000 2.251 448 M HA 0.444 4.949 4.480 0.043 0.000 0.343 448 M C 1.121 177.499 176.300 0.131 0.000 1.245 448 M CA 1.345 56.694 55.300 0.082 0.000 1.061 448 M CB -0.573 32.075 32.600 0.079 0.000 1.723 448 M HN 1.657 nan 8.290 nan 0.000 0.449 449 H N 1.119 120.194 119.070 0.008 0.000 2.626 449 H HA -0.201 4.380 4.556 0.041 0.000 0.317 449 H C -0.621 174.700 175.328 -0.012 0.000 1.140 449 H CA 0.655 56.704 56.048 0.002 0.000 1.134 449 H CB -0.630 29.135 29.762 0.006 0.000 1.486 449 H HN 0.661 nan 8.280 nan 0.000 0.417 450 R N 1.486 122.008 120.500 0.036 0.000 2.446 450 R HA -0.004 4.362 4.340 0.043 0.000 0.314 450 R C 0.956 177.247 176.300 -0.016 0.000 1.003 450 R CA 0.288 56.398 56.100 0.017 0.000 1.018 450 R CB 0.199 30.509 30.300 0.016 0.000 0.945 450 R HN 0.443 nan 8.270 nan 0.000 0.419 451 M N 2.713 122.315 119.600 0.005 0.000 2.412 451 M HA 0.198 4.704 4.480 0.043 0.000 0.263 451 M C 0.995 177.289 176.300 -0.011 0.000 1.122 451 M CA 1.074 56.371 55.300 -0.005 0.000 1.179 451 M CB -0.780 31.826 32.600 0.011 0.000 1.335 451 M HN 0.681 nan 8.290 nan 0.000 0.465 452 G N 1.594 110.396 108.800 0.003 0.000 2.406 452 G HA2 0.451 4.437 3.960 0.043 0.000 0.251 452 G HA3 0.451 4.437 3.960 0.043 0.000 0.251 452 G C -0.439 174.457 174.900 -0.008 0.000 1.271 452 G CA -0.435 44.661 45.100 -0.006 0.000 0.859 452 G HN 0.294 nan 8.290 nan 0.000 0.540 453 I N 2.693 123.251 120.570 -0.020 0.000 2.307 453 I HA 0.101 4.297 4.170 0.043 0.000 0.287 453 I C -0.290 175.817 176.117 -0.017 0.000 1.054 453 I CA -0.521 60.771 61.300 -0.014 0.000 1.218 453 I CB 0.962 38.952 38.000 -0.016 0.000 1.398 453 I HN 0.350 nan 8.210 nan 0.000 0.475 454 D N 4.896 125.293 120.400 -0.006 0.000 2.348 454 D HA 0.058 4.724 4.640 0.043 0.000 0.253 454 D C 1.206 177.508 176.300 0.004 0.000 1.161 454 D CA 0.249 54.245 54.000 -0.007 0.000 0.876 454 D CB 1.774 42.580 40.800 0.009 0.000 1.160 454 D HN 0.566 nan 8.370 nan 0.000 0.459 455 T N -0.729 113.823 114.554 -0.003 0.000 3.060 455 T HA -0.063 4.313 4.350 0.043 0.000 0.249 455 T C 0.862 175.571 174.700 0.015 0.000 1.079 455 T CA -0.526 61.576 62.100 0.003 0.000 1.013 455 T CB 0.171 69.034 68.868 -0.009 0.000 0.975 455 T HN 0.122 nan 8.240 nan 0.000 0.518 456 N N 3.318 122.029 118.700 0.019 0.000 2.411 456 N HA 0.085 4.851 4.740 0.043 0.000 0.261 456 N C -1.717 173.835 175.510 0.070 0.000 1.248 456 N CA -1.510 51.565 53.050 0.042 0.000 0.885 456 N CB 1.417 39.933 38.487 0.048 0.000 1.062 456 N HN 0.058 nan 8.380 nan 0.000 0.471 457 P HA 0.008 nan 4.420 nan 0.000 0.222 457 P C -0.598 176.765 177.300 0.105 0.000 1.147 457 P CA 0.811 63.958 63.100 0.078 0.000 0.790 457 P CB 0.236 31.977 31.700 0.069 0.000 0.780 458 A N 0.740 123.614 122.820 0.091 0.000 2.324 458 A HA 0.440 4.786 4.320 0.043 0.000 0.330 458 A C 0.415 178.106 177.584 0.179 0.000 1.165 458 A CA -0.691 51.358 52.037 0.019 0.000 0.813 458 A CB 0.206 19.025 19.000 -0.301 0.000 1.197 458 A HN 0.240 nan 8.150 nan 0.000 0.484 459 N N 0.128 118.977 118.700 0.248 0.000 2.351 459 N HA 0.375 5.141 4.740 0.043 0.000 0.254 459 N C -0.858 174.817 175.510 0.275 0.000 1.241 459 N CA -0.357 52.917 53.050 0.373 0.000 0.883 459 N CB 0.303 38.961 38.487 0.284 0.000 1.202 459 N HN 0.689 nan 8.380 nan 0.000 0.512 460 Y N -1.194 118.962 120.300 -0.240 0.000 2.638 460 Y HA 0.663 5.239 4.550 0.043 0.000 0.335 460 Y C -1.508 173.775 175.900 -1.029 0.000 1.155 460 Y CA -1.384 56.391 58.100 -0.541 0.000 1.046 460 Y CB 0.957 39.278 38.460 -0.231 0.000 1.303 460 Y HN 0.082 nan 8.280 nan 0.000 0.460 461 E N 0.567 120.277 120.200 -0.816 0.000 2.383 461 E HA 0.677 5.053 4.350 0.043 0.000 0.275 461 E C -3.181 173.318 176.600 -0.168 0.000 0.918 461 E CA -2.034 54.014 56.400 -0.587 0.000 0.764 461 E CB 1.640 30.945 29.700 -0.658 0.000 1.252 461 E HN 0.540 nan 8.360 nan 0.000 0.449 462 P HA 0.290 nan 4.420 nan 0.000 0.275 462 P C -1.295 175.960 177.300 -0.076 0.000 1.228 462 P CA -0.433 62.602 63.100 -0.109 0.000 0.786 462 P CB 0.434 32.105 31.700 -0.049 0.000 0.927 463 N N -1.516 117.066 118.700 -0.197 0.000 2.262 463 N HA 0.373 5.139 4.740 0.043 0.000 0.295 463 N C 0.277 175.741 175.510 -0.075 0.000 1.161 463 N CA -0.771 52.178 53.050 -0.168 0.000 0.767 463 N CB 1.476 39.580 38.487 -0.638 0.000 1.499 463 N HN 0.181 nan 8.380 nan 0.000 0.476 464 S N 0.627 116.330 115.700 0.005 0.000 2.497 464 S HA -0.002 4.494 4.470 0.043 0.000 0.218 464 S C 1.504 176.118 174.600 0.023 0.000 1.023 464 S CA -0.029 58.176 58.200 0.008 0.000 0.913 464 S CB -0.744 62.471 63.200 0.026 0.000 0.800 464 S HN 0.719 nan 8.310 nan 0.000 0.505 465 I N -0.837 119.755 120.570 0.036 0.000 3.111 465 I HA 0.258 4.454 4.170 0.043 0.000 0.272 465 I C 1.177 177.325 176.117 0.052 0.000 1.268 465 I CA 1.086 62.418 61.300 0.053 0.000 1.467 465 I CB -0.342 37.709 38.000 0.085 0.000 1.087 465 I HN 0.167 nan 8.210 nan 0.000 0.467 466 N N 1.349 120.076 118.700 0.045 0.000 2.351 466 N HA 0.042 4.808 4.740 0.043 0.000 0.254 466 N C -0.052 175.562 175.510 0.174 0.000 1.241 466 N CA -0.067 53.050 53.050 0.113 0.000 0.883 466 N CB -0.040 38.528 38.487 0.133 0.000 1.202 466 N HN 0.191 nan 8.380 nan 0.000 0.512 467 D N 0.769 121.221 120.400 0.087 0.000 2.737 467 D HA -0.267 4.399 4.640 0.043 0.000 0.233 467 D C -0.036 176.165 176.300 -0.166 0.000 1.155 467 D CA 1.165 55.182 54.000 0.029 0.000 0.667 467 D CB -1.289 39.606 40.800 0.158 0.000 1.060 467 D HN 0.513 nan 8.370 nan 0.000 0.427 468 N N -1.813 116.818 118.700 -0.116 0.000 2.800 468 N HA -0.244 4.522 4.740 0.043 0.000 0.250 468 N C -0.802 174.618 175.510 -0.150 0.000 1.078 468 N CA 1.391 54.339 53.050 -0.170 0.000 0.804 468 N CB -1.335 37.007 38.487 -0.241 0.000 1.135 468 N HN 0.527 nan 8.380 nan 0.000 0.565 469 W N 1.143 122.489 121.300 0.078 0.000 2.313 469 W HA 0.435 5.121 4.660 0.043 0.000 0.328 469 W C -1.649 174.907 176.519 0.062 0.000 1.197 469 W CA -1.573 55.801 57.345 0.048 0.000 1.235 469 W CB 0.554 29.995 29.460 -0.032 0.000 1.158 469 W HN -0.026 nan 8.180 nan 0.000 0.578 470 P HA 0.194 nan 4.420 nan 0.000 0.275 470 P C -0.707 176.722 177.300 0.214 0.000 1.228 470 P CA -0.151 63.088 63.100 0.231 0.000 0.786 470 P CB 0.992 32.677 31.700 -0.026 0.000 0.927 471 R N 1.437 122.048 120.500 0.186 0.000 2.540 471 R HA 0.300 4.666 4.340 0.043 0.000 0.287 471 R C 0.416 176.746 176.300 0.050 0.000 0.980 471 R CA -0.787 55.295 56.100 -0.029 0.000 0.966 471 R CB 1.076 31.142 30.300 -0.389 0.000 1.106 471 R HN 0.500 nan 8.270 nan 0.000 0.480 472 E N 0.710 120.930 120.200 0.033 0.000 2.458 472 E HA -0.013 4.363 4.350 0.043 0.000 0.264 472 E C -0.522 176.100 176.600 0.036 0.000 1.097 472 E CA 0.825 57.255 56.400 0.050 0.000 0.973 472 E CB 0.602 30.322 29.700 0.033 0.000 0.963 472 E HN 0.359 nan 8.360 nan 0.000 0.451 473 T N 3.434 118.020 114.554 0.055 0.000 2.879 473 T HA 0.338 4.714 4.350 0.043 0.000 0.290 473 T C -2.442 172.282 174.700 0.039 0.000 0.993 473 T CA -1.477 60.653 62.100 0.050 0.000 0.975 473 T CB 1.558 70.468 68.868 0.071 0.000 0.981 473 T HN 0.234 nan 8.240 nan 0.000 0.439 474 P HA 0.224 nan 4.420 nan 0.000 0.269 474 P C -2.377 174.929 177.300 0.011 0.000 1.215 474 P CA -1.090 62.018 63.100 0.013 0.000 0.780 474 P CB -0.273 31.430 31.700 0.005 0.000 0.898 475 P HA 0.262 nan 4.420 nan 0.000 0.269 475 P C -0.023 177.266 177.300 -0.018 0.000 1.217 475 P CA 0.357 63.443 63.100 -0.023 0.000 0.783 475 P CB 0.560 32.225 31.700 -0.058 0.000 0.898 476 G N 0.063 108.851 108.800 -0.021 0.000 2.495 476 G HA2 0.384 4.370 3.960 0.043 0.000 0.294 476 G HA3 0.384 4.370 3.960 0.043 0.000 0.294 476 G C -2.647 172.242 174.900 -0.018 0.000 1.397 476 G CA -0.757 44.334 45.100 -0.015 0.000 0.790 476 G HN 0.100 nan 8.290 nan 0.000 0.486 477 P HA 0.091 nan 4.420 nan 0.000 0.218 477 P C 0.072 177.366 177.300 -0.010 0.000 1.149 477 P CA 1.169 64.259 63.100 -0.017 0.000 0.817 477 P CB 0.145 31.838 31.700 -0.012 0.000 0.785 478 K N -1.586 118.815 120.400 0.002 0.000 2.502 478 K HA 0.427 4.773 4.320 0.043 0.000 0.257 478 K C -0.248 176.367 176.600 0.025 0.000 0.938 478 K CA -0.972 55.324 56.287 0.014 0.000 0.819 478 K CB 2.051 34.561 32.500 0.017 0.000 1.333 478 K HN -0.379 nan 8.250 nan 0.000 0.434 479 R N -0.614 119.908 120.500 0.038 0.000 3.758 479 R HA -0.137 4.229 4.340 0.043 0.000 0.299 479 R C 0.002 176.332 176.300 0.051 0.000 1.182 479 R CA 1.066 57.196 56.100 0.050 0.000 0.809 479 R CB -2.219 28.110 30.300 0.048 0.000 1.249 479 R HN 1.036 nan 8.270 nan 0.000 0.497 480 G N -0.959 107.866 108.800 0.042 0.000 2.491 480 G HA2 0.627 4.613 3.960 0.043 0.000 0.327 480 G HA3 0.627 4.613 3.960 0.043 0.000 0.327 480 G C 0.300 175.235 174.900 0.058 0.000 1.189 480 G CA 0.056 45.179 45.100 0.039 0.000 0.956 480 G HN 0.244 nan 8.290 nan 0.000 0.491 481 G N -1.251 107.584 108.800 0.059 0.000 2.594 481 G HA2 0.391 4.377 3.960 0.043 0.000 0.243 481 G HA3 0.391 4.377 3.960 0.043 0.000 0.243 481 G C -0.631 174.330 174.900 0.101 0.000 1.229 481 G CA -0.481 44.676 45.100 0.096 0.000 0.843 481 G HN 0.460 nan 8.290 nan 0.000 0.578 482 F N 0.565 120.530 119.950 0.026 0.000 2.467 482 F HA 0.388 4.942 4.527 0.044 0.000 0.362 482 F C 0.532 176.346 175.800 0.024 0.000 1.090 482 F CA -0.307 57.704 58.000 0.017 0.000 1.202 482 F CB 0.910 39.924 39.000 0.023 0.000 1.113 482 F HN 0.447 nan 8.300 nan 0.000 0.541 483 E N 4.137 123.986 120.200 -0.584 0.000 2.234 483 E HA 0.315 4.691 4.350 0.043 0.000 0.266 483 E C -1.048 175.189 176.600 -0.606 0.000 0.877 483 E CA -0.797 55.392 56.400 -0.353 0.000 0.758 483 E CB 1.505 31.088 29.700 -0.195 0.000 1.170 483 E HN 0.635 nan 8.360 nan 0.000 0.415 484 S N 2.585 118.156 115.700 -0.214 0.000 2.562 484 S HA -0.016 4.480 4.470 0.043 0.000 0.281 484 S C -0.535 174.037 174.600 -0.046 0.000 1.333 484 S CA -0.304 57.860 58.200 -0.061 0.000 1.052 484 S CB 0.124 63.430 63.200 0.178 0.000 0.884 484 S HN 0.468 nan 8.310 nan 0.000 0.506 485 Y N 2.537 122.760 120.300 -0.128 0.000 2.620 485 Y HA 0.001 4.577 4.550 0.043 0.000 0.330 485 Y C 0.849 176.725 175.900 -0.040 0.000 1.186 485 Y CA 0.099 58.140 58.100 -0.099 0.000 1.467 485 Y CB 0.192 38.591 38.460 -0.102 0.000 1.262 485 Y HN 0.588 nan 8.280 nan 0.000 0.550 486 Q N 5.292 124.709 119.800 -0.638 0.000 3.254 486 Q HA 0.015 4.380 4.340 0.043 0.000 0.315 486 Q C -0.223 175.458 176.000 -0.532 0.000 1.405 486 Q CA -0.055 55.487 55.803 -0.434 0.000 0.966 486 Q CB -0.197 28.355 28.738 -0.311 0.000 1.706 486 Q HN 0.662 nan 8.270 nan 0.000 0.525 487 E N 1.524 121.486 120.200 -0.397 0.000 2.452 487 E HA -0.038 4.338 4.350 0.043 0.000 0.261 487 E C -0.082 176.476 176.600 -0.070 0.000 0.987 487 E CA -0.377 55.931 56.400 -0.154 0.000 0.926 487 E CB 0.621 30.378 29.700 0.095 0.000 0.934 487 E HN 0.180 nan 8.360 nan 0.000 0.452 488 R N 2.950 123.434 120.500 -0.026 0.000 2.389 488 R HA 0.218 4.583 4.340 0.043 0.000 0.295 488 R C -1.551 174.769 176.300 0.034 0.000 1.075 488 R CA -0.234 55.866 56.100 -0.001 0.000 1.005 488 R CB 0.858 31.168 30.300 0.016 0.000 0.987 488 R HN 0.257 nan 8.270 nan 0.000 0.452 489 V N 4.611 124.539 119.914 0.023 0.000 2.540 489 V HA 0.474 4.620 4.120 0.043 0.000 0.302 489 V C -0.619 175.489 176.094 0.022 0.000 1.035 489 V CA -0.646 61.672 62.300 0.031 0.000 0.873 489 V CB 1.465 33.303 31.823 0.026 0.000 0.992 489 V HN 0.916 nan 8.190 nan 0.000 0.428 490 E N 2.826 123.040 120.200 0.025 0.000 2.307 490 E HA 0.661 5.037 4.350 0.043 0.000 0.280 490 E C -0.476 176.131 176.600 0.011 0.000 0.900 490 E CA -0.082 56.327 56.400 0.015 0.000 0.790 490 E CB 2.047 31.756 29.700 0.015 0.000 1.261 490 E HN 1.035 nan 8.360 nan 0.000 0.405 491 G N 2.661 111.463 108.800 0.002 0.000 2.337 491 G HA2 0.072 4.058 3.960 0.043 0.000 0.298 491 G HA3 0.072 4.058 3.960 0.043 0.000 0.298 491 G C -1.493 173.401 174.900 -0.009 0.000 1.335 491 G CA -0.985 44.113 45.100 -0.004 0.000 0.875 491 G HN 0.426 nan 8.290 nan 0.000 0.579 492 N N 0.190 118.882 118.700 -0.014 0.000 2.476 492 N HA 0.345 5.111 4.740 0.043 0.000 0.275 492 N C -0.107 175.391 175.510 -0.020 0.000 1.190 492 N CA -0.285 52.756 53.050 -0.016 0.000 0.977 492 N CB 0.973 39.449 38.487 -0.018 0.000 1.200 492 N HN 0.488 nan 8.380 nan 0.000 0.515 493 K N 0.867 121.255 120.400 -0.021 0.000 2.307 493 K HA 0.154 4.500 4.320 0.043 0.000 0.285 493 K C -0.343 176.237 176.600 -0.034 0.000 1.073 493 K CA -0.097 56.174 56.287 -0.027 0.000 0.996 493 K CB -0.196 32.289 32.500 -0.025 0.000 0.994 493 K HN 0.340 nan 8.250 nan 0.000 0.452 494 V N 0.288 120.177 119.914 -0.041 0.000 2.876 494 V HA 0.473 4.619 4.120 0.043 0.000 0.312 494 V C -0.476 175.579 176.094 -0.065 0.000 1.085 494 V CA -1.332 60.938 62.300 -0.049 0.000 0.945 494 V CB 1.999 33.794 31.823 -0.046 0.000 1.017 494 V HN 0.602 nan 8.190 nan 0.000 0.428 495 R N 2.498 122.955 120.500 -0.072 0.000 2.522 495 R HA 0.590 4.956 4.340 0.043 0.000 0.290 495 R C -0.471 175.781 176.300 -0.081 0.000 1.216 495 R CA -0.114 55.930 56.100 -0.092 0.000 1.250 495 R CB 0.718 30.949 30.300 -0.115 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.955 122.104 120.200 -0.085 0.000 2.304 496 E HA 0.228 4.604 4.350 0.043 0.000 0.277 496 E C -1.262 175.269 176.600 -0.114 0.000 0.898 496 E CA -1.006 55.346 56.400 -0.080 0.000 0.764 496 E CB 1.611 31.270 29.700 -0.068 0.000 1.216 496 E HN 0.136 nan 8.360 nan 0.000 0.419 497 R N 1.710 122.146 120.500 -0.107 0.000 2.438 497 R HA 0.231 4.597 4.340 0.043 0.000 0.287 497 R C -0.530 175.649 176.300 -0.201 0.000 1.077 497 R CA 0.073 56.067 56.100 -0.176 0.000 1.034 497 R CB 1.223 31.476 30.300 -0.078 0.000 0.993 497 R HN 0.379 nan 8.270 nan 0.000 0.459 498 S N 4.749 120.217 115.700 -0.386 0.000 2.537 498 S HA 0.114 4.610 4.470 0.043 0.000 0.286 498 S C -1.556 173.019 174.600 -0.043 0.000 1.299 498 S CA -1.283 56.784 58.200 -0.221 0.000 1.067 498 S CB 0.687 63.718 63.200 -0.281 0.000 0.864 498 S HN 0.537 nan 8.310 nan 0.000 0.494 499 P HA -0.118 nan 4.420 nan 0.000 0.219 499 P C 1.549 178.901 177.300 0.086 0.000 1.146 499 P CA 1.213 64.335 63.100 0.037 0.000 0.808 499 P CB -0.118 31.593 31.700 0.018 0.000 0.779 500 S N -1.855 113.934 115.700 0.148 0.000 2.442 500 S HA -0.135 4.361 4.470 0.043 0.000 0.236 500 S C 1.495 176.260 174.600 0.275 0.000 1.007 500 S CA 0.907 59.230 58.200 0.204 0.000 0.965 500 S CB -1.439 61.912 63.200 0.251 0.000 0.773 500 S HN -0.029 nan 8.310 nan 0.000 0.504 501 F N 2.215 122.157 119.950 -0.013 0.000 2.797 501 F HA 0.387 4.940 4.527 0.043 0.000 0.302 501 F C 1.944 177.671 175.800 -0.122 0.000 1.130 501 F CA -0.702 57.283 58.000 -0.025 0.000 1.387 501 F CB -0.561 38.456 39.000 0.028 0.000 1.107 501 F HN 0.362 nan 8.300 nan 0.000 0.577 502 G N 0.406 109.197 108.800 -0.015 0.000 3.574 502 G HA2 0.102 4.087 3.960 0.043 0.000 0.262 502 G HA3 0.102 4.087 3.960 0.043 0.000 0.262 502 G C -0.072 174.439 174.900 -0.650 0.000 1.231 502 G CA 0.057 44.981 45.100 -0.294 0.000 1.608 502 G HN 0.048 nan 8.290 nan 0.000 0.628 503 E N 0.173 119.932 120.200 -0.734 0.000 2.246 503 E HA 0.339 4.715 4.350 0.043 0.000 0.266 503 E C -0.849 175.326 176.600 -0.708 0.000 0.880 503 E CA -0.771 55.241 56.400 -0.646 0.000 0.762 503 E CB 1.598 31.157 29.700 -0.235 0.000 1.180 503 E HN 0.218 nan 8.360 nan 0.000 0.416 504 Y N 2.584 122.674 120.300 -0.350 0.000 2.471 504 Y HA 0.200 4.776 4.550 0.043 0.000 0.249 504 Y C 0.677 176.298 175.900 -0.464 0.000 1.116 504 Y CA -0.114 57.678 58.100 -0.514 0.000 1.240 504 Y CB 0.453 38.455 38.460 -0.764 0.000 1.251 504 Y HN 0.435 nan 8.280 nan 0.000 0.527 505 Y N -1.349 119.032 120.300 0.134 0.000 2.483 505 Y HA 0.081 4.657 4.550 0.043 0.000 0.258 505 Y C 2.388 178.344 175.900 0.094 0.000 1.083 505 Y CA 0.156 58.329 58.100 0.122 0.000 1.283 505 Y CB -0.267 38.271 38.460 0.129 0.000 1.178 505 Y HN 0.058 nan 8.280 nan 0.000 0.515 506 S N -0.957 114.872 115.700 0.215 0.000 2.406 506 S HA -0.162 4.334 4.470 0.043 0.000 0.228 506 S C 1.419 176.094 174.600 0.126 0.000 1.020 506 S CA 1.470 59.779 58.200 0.182 0.000 0.965 506 S CB -0.494 62.817 63.200 0.185 0.000 0.798 506 S HN 0.413 nan 8.310 nan 0.000 0.488 507 H N 2.715 121.696 119.070 -0.148 0.000 2.372 507 H HA 0.213 4.795 4.556 0.043 0.000 0.301 507 H C -0.683 174.442 175.328 -0.337 0.000 1.065 507 H CA 1.166 56.981 56.048 -0.390 0.000 1.364 507 H CB -1.652 27.647 29.762 -0.772 0.000 1.406 507 H HN 0.365 nan 8.280 nan 0.000 0.521 508 P HA -0.185 nan 4.420 nan 0.000 0.216 508 P C 1.451 178.937 177.300 0.310 0.000 1.153 508 P CA 1.748 64.988 63.100 0.234 0.000 0.858 508 P CB 0.092 31.959 31.700 0.277 0.000 0.789 509 R N -0.524 120.108 120.500 0.220 0.000 2.073 509 R HA -0.103 4.263 4.340 0.043 0.000 0.229 509 R C 2.137 178.568 176.300 0.218 0.000 1.120 509 R CA 0.986 57.221 56.100 0.226 0.000 0.967 509 R CB -1.028 29.365 30.300 0.156 0.000 0.862 509 R HN 0.055 nan 8.270 nan 0.000 0.436 510 L N 0.563 121.858 121.223 0.119 0.000 2.012 510 L HA -0.144 4.221 4.340 0.043 0.000 0.210 510 L C 1.988 178.914 176.870 0.093 0.000 1.073 510 L CA 1.778 56.650 54.840 0.053 0.000 0.748 510 L CB -0.806 41.207 42.059 -0.077 0.000 0.891 510 L HN 0.238 nan 8.230 nan 0.000 0.431 511 F N -0.655 119.327 119.950 0.053 0.000 2.069 511 F HA -0.309 4.245 4.527 0.044 0.000 0.298 511 F C 2.357 178.160 175.800 0.005 0.000 1.113 511 F CA 2.367 60.380 58.000 0.022 0.000 1.214 511 F CB -0.670 38.387 39.000 0.095 0.000 0.978 511 F HN 0.408 nan 8.300 nan 0.000 0.474 512 W N 1.300 122.584 121.300 -0.026 0.000 2.335 512 W HA -0.237 4.448 4.660 0.043 0.000 0.311 512 W C 1.812 178.217 176.519 -0.190 0.000 1.213 512 W CA 1.727 59.012 57.345 -0.101 0.000 1.274 512 W CB -0.749 28.745 29.460 0.056 0.000 1.148 512 W HN 0.098 nan 8.180 nan 0.000 0.498 513 L N 1.086 122.253 121.223 -0.093 0.000 2.275 513 L HA -0.173 4.193 4.340 0.043 0.000 0.215 513 L C 2.411 179.094 176.870 -0.311 0.000 1.119 513 L CA 1.233 55.946 54.840 -0.213 0.000 0.790 513 L CB -0.712 41.345 42.059 -0.003 0.000 0.919 513 L HN -0.128 nan 8.230 nan 0.000 0.443 514 S N -1.323 114.178 115.700 -0.332 0.000 2.527 514 S HA 0.018 4.514 4.470 0.043 0.000 0.222 514 S C 0.739 175.049 174.600 -0.482 0.000 0.985 514 S CA 0.175 58.166 58.200 -0.348 0.000 0.921 514 S CB -0.010 63.016 63.200 -0.290 0.000 0.772 514 S HN 0.320 nan 8.310 nan 0.000 0.529 515 Q N 2.201 121.610 119.800 -0.650 0.000 2.306 515 Q HA 0.241 4.607 4.340 0.043 0.000 0.241 515 Q C 0.671 176.288 176.000 -0.638 0.000 0.948 515 Q CA -0.064 55.323 55.803 -0.693 0.000 0.886 515 Q CB 0.232 28.498 28.738 -0.786 0.000 1.227 515 Q HN 0.429 nan 8.270 nan 0.000 0.457 516 T N -1.746 112.393 114.554 -0.691 0.000 2.748 516 T HA 0.109 4.484 4.350 0.043 0.000 0.304 516 T C -1.737 172.520 174.700 -0.739 0.000 1.041 516 T CA -1.209 60.449 62.100 -0.737 0.000 1.033 516 T CB 0.275 68.450 68.868 -1.155 0.000 0.995 516 T HN 0.231 nan 8.240 nan 0.000 0.536 517 P HA -0.025 nan 4.420 nan 0.000 0.216 517 P C 1.306 178.426 177.300 -0.300 0.000 1.150 517 P CA 1.035 63.934 63.100 -0.335 0.000 0.837 517 P CB -0.219 31.397 31.700 -0.141 0.000 0.786 518 F N -0.504 119.265 119.950 -0.301 0.000 2.206 518 F HA 0.060 4.612 4.527 0.043 0.000 0.298 518 F C 1.865 177.329 175.800 -0.559 0.000 1.090 518 F CA 0.802 58.564 58.000 -0.396 0.000 1.323 518 F CB -1.514 37.248 39.000 -0.396 0.000 1.028 518 F HN -0.120 nan 8.300 nan 0.000 0.492 519 E N 0.625 120.282 120.200 -0.904 0.000 2.077 519 E HA -0.221 4.155 4.350 0.043 0.000 0.193 519 E C 2.230 178.646 176.600 -0.307 0.000 0.989 519 E CA 1.510 57.583 56.400 -0.545 0.000 0.800 519 E CB -0.293 29.016 29.700 -0.652 0.000 0.746 519 E HN 0.618 nan 8.360 nan 0.000 0.452 520 Q N 0.229 119.762 119.800 -0.445 0.000 2.096 520 Q HA -0.227 4.139 4.340 0.043 0.000 0.204 520 Q C 2.260 178.291 176.000 0.052 0.000 0.982 520 Q CA 1.498 57.068 55.803 -0.388 0.000 0.850 520 Q CB -0.165 28.065 28.738 -0.846 0.000 0.901 520 Q HN 0.014 nan 8.270 nan 0.000 0.422 521 R N 0.262 120.767 120.500 0.009 0.000 2.096 521 R HA -0.141 4.225 4.340 0.043 0.000 0.235 521 R C 1.596 178.089 176.300 0.323 0.000 1.127 521 R CA 1.835 58.038 56.100 0.171 0.000 0.968 521 R CB -0.439 29.938 30.300 0.129 0.000 0.861 521 R HN 0.459 nan 8.270 nan 0.000 0.440 522 H N -0.722 118.444 119.070 0.159 0.000 2.423 522 H HA 0.004 4.586 4.556 0.043 0.000 0.297 522 H C 1.975 177.422 175.328 0.199 0.000 1.075 522 H CA 1.226 57.383 56.048 0.182 0.000 1.342 522 H CB 0.055 29.927 29.762 0.184 0.000 1.395 522 H HN 0.184 nan 8.280 nan 0.000 0.530 523 I N 0.149 120.944 120.570 0.376 0.000 2.179 523 I HA -0.258 3.938 4.170 0.043 0.000 0.242 523 I C 2.345 178.759 176.117 0.496 0.000 1.088 523 I CA 0.767 62.324 61.300 0.428 0.000 1.357 523 I CB -0.168 38.184 38.000 0.587 0.000 1.051 523 I HN 0.068 nan 8.210 nan 0.000 0.409 524 V N 0.910 121.106 119.914 0.470 0.000 2.282 524 V HA -0.334 3.812 4.120 0.043 0.000 0.249 524 V C 2.034 178.308 176.094 0.300 0.000 1.057 524 V CA 2.169 64.692 62.300 0.372 0.000 1.032 524 V CB -0.663 31.337 31.823 0.295 0.000 0.645 524 V HN 0.428 nan 8.190 nan 0.000 0.447 525 D N 0.207 120.764 120.400 0.262 0.000 2.219 525 D HA -0.079 4.587 4.640 0.043 0.000 0.205 525 D C 2.131 178.510 176.300 0.132 0.000 0.970 525 D CA 1.419 55.538 54.000 0.197 0.000 0.851 525 D CB -0.467 40.448 40.800 0.191 0.000 0.943 525 D HN 0.493 nan 8.370 nan 0.000 0.488 526 G N 0.215 109.077 108.800 0.103 0.000 2.414 526 G HA2 -0.244 3.742 3.960 0.043 0.000 0.215 526 G HA3 -0.244 3.742 3.960 0.043 0.000 0.215 526 G C 1.453 176.350 174.900 -0.004 0.000 1.188 526 G CA 0.161 45.225 45.100 -0.060 0.000 0.783 526 G HN 0.161 nan 8.290 nan 0.000 0.537 527 F N 1.817 121.802 119.950 0.059 0.000 2.126 527 F HA -0.101 4.452 4.527 0.044 0.000 0.299 527 F C 3.192 178.909 175.800 -0.138 0.000 1.096 527 F CA 1.678 59.646 58.000 -0.053 0.000 1.255 527 F CB -0.360 38.616 39.000 -0.040 0.000 0.997 527 F HN 0.088 nan 8.300 nan 0.000 0.479 528 S N -0.105 115.697 115.700 0.170 0.000 2.348 528 S HA -0.210 4.286 4.470 0.043 0.000 0.221 528 S C 1.877 176.503 174.600 0.043 0.000 1.033 528 S CA 1.273 59.517 58.200 0.073 0.000 1.010 528 S CB -0.853 62.410 63.200 0.106 0.000 0.891 528 S HN 0.381 nan 8.310 nan 0.000 0.442 529 F N 2.706 122.619 119.950 -0.062 0.000 2.069 529 F HA -0.170 4.383 4.527 0.043 0.000 0.298 529 F C 2.403 178.139 175.800 -0.105 0.000 1.113 529 F CA 1.682 59.632 58.000 -0.084 0.000 1.214 529 F CB -0.303 38.587 39.000 -0.183 0.000 0.978 529 F HN 0.151 nan 8.300 nan 0.000 0.474 530 E N 0.512 120.720 120.200 0.013 0.000 2.058 530 E HA -0.230 4.146 4.350 0.043 0.000 0.194 530 E C 2.367 178.801 176.600 -0.277 0.000 0.997 530 E CA 1.762 58.141 56.400 -0.036 0.000 0.801 530 E CB -0.587 29.223 29.700 0.182 0.000 0.746 530 E HN 0.486 nan 8.360 nan 0.000 0.450 531 L N 0.947 121.912 121.223 -0.430 0.000 2.201 531 L HA -0.110 4.255 4.340 0.043 0.000 0.212 531 L C 2.457 179.169 176.870 -0.264 0.000 1.105 531 L CA 0.571 55.132 54.840 -0.466 0.000 0.775 531 L CB -0.218 41.576 42.059 -0.442 0.000 0.913 531 L HN 0.005 nan 8.230 nan 0.000 0.440 532 S N -0.353 115.207 115.700 -0.234 0.000 2.419 532 S HA -0.095 4.401 4.470 0.043 0.000 0.233 532 S C 1.720 176.208 174.600 -0.188 0.000 1.016 532 S CA 0.966 59.050 58.200 -0.194 0.000 0.974 532 S CB -0.068 63.007 63.200 -0.209 0.000 0.786 532 S HN 0.312 nan 8.310 nan 0.000 0.492 533 K N 1.213 121.480 120.400 -0.221 0.000 2.426 533 K HA 0.201 4.547 4.320 0.043 0.000 0.193 533 K C 0.083 176.684 176.600 0.001 0.000 1.028 533 K CA 0.096 56.315 56.287 -0.112 0.000 1.047 533 K CB -0.183 32.248 32.500 -0.115 0.000 0.821 533 K HN 0.214 nan 8.250 nan 0.000 0.513 534 V N 2.218 122.113 119.914 -0.033 0.000 2.427 534 V HA -0.002 4.144 4.120 0.043 0.000 0.268 534 V C 1.711 177.790 176.094 -0.024 0.000 1.046 534 V CA -0.059 62.244 62.300 0.006 0.000 0.970 534 V CB 1.313 33.105 31.823 -0.052 0.000 1.001 534 V HN -0.127 nan 8.190 nan 0.000 0.476 535 V N 5.218 125.139 119.914 0.010 0.000 2.591 535 V HA -0.011 4.135 4.120 0.043 0.000 0.249 535 V C 1.273 177.350 176.094 -0.028 0.000 1.053 535 V CA 1.213 63.516 62.300 0.004 0.000 1.068 535 V CB -0.433 31.410 31.823 0.035 0.000 0.689 535 V HN 0.757 nan 8.190 nan 0.000 0.462 536 R N 0.601 121.053 120.500 -0.079 0.000 2.196 536 R HA 0.229 4.595 4.340 0.043 0.000 0.340 536 R C -1.830 174.343 176.300 -0.212 0.000 1.043 536 R CA -1.533 54.491 56.100 -0.126 0.000 0.883 536 R CB 0.844 31.009 30.300 -0.225 0.000 1.078 536 R HN 0.176 nan 8.270 nan 0.000 0.462 537 P HA -0.216 nan 4.420 nan 0.000 0.218 537 P C 0.730 177.991 177.300 -0.066 0.000 1.148 537 P CA 1.184 64.253 63.100 -0.052 0.000 0.822 537 P CB 0.042 31.754 31.700 0.020 0.000 0.784 538 Y N -1.516 118.784 120.300 -0.001 0.000 2.333 538 Y HA -0.127 4.449 4.550 0.043 0.000 0.290 538 Y C 1.912 177.816 175.900 0.008 0.000 1.144 538 Y CA 0.813 58.913 58.100 0.001 0.000 1.228 538 Y CB -1.762 36.699 38.460 0.002 0.000 0.985 538 Y HN -0.083 nan 8.280 nan 0.000 0.542 539 I N 0.841 121.014 120.570 -0.661 0.000 2.202 539 I HA -0.259 3.937 4.170 0.043 0.000 0.242 539 I C 2.587 178.616 176.117 -0.148 0.000 1.091 539 I CA 1.444 62.513 61.300 -0.386 0.000 1.368 539 I CB -0.399 37.359 38.000 -0.403 0.000 1.058 539 I HN 0.201 nan 8.210 nan 0.000 0.410 540 R N 0.813 121.214 120.500 -0.166 0.000 2.083 540 R HA -0.207 4.159 4.340 0.043 0.000 0.237 540 R C 2.149 178.398 176.300 -0.084 0.000 1.137 540 R CA 1.675 57.692 56.100 -0.138 0.000 0.951 540 R CB -0.472 29.746 30.300 -0.137 0.000 0.851 540 R HN 0.470 nan 8.270 nan 0.000 0.434 541 E N 0.389 120.563 120.200 -0.043 0.000 2.077 541 E HA -0.174 4.202 4.350 0.043 0.000 0.193 541 E C 2.146 178.753 176.600 0.013 0.000 0.989 541 E CA 1.041 57.438 56.400 -0.006 0.000 0.800 541 E CB -0.053 29.668 29.700 0.034 0.000 0.746 541 E HN 0.298 nan 8.360 nan 0.000 0.452 542 R N 0.301 120.824 120.500 0.039 0.000 2.096 542 R HA -0.089 4.277 4.340 0.043 0.000 0.235 542 R C 2.355 178.681 176.300 0.043 0.000 1.127 542 R CA 0.964 57.099 56.100 0.058 0.000 0.968 542 R CB -0.164 30.192 30.300 0.094 0.000 0.861 542 R HN 0.062 nan 8.270 nan 0.000 0.440 543 V N 0.245 120.176 119.914 0.028 0.000 2.407 543 V HA -0.161 3.985 4.120 0.043 0.000 0.245 543 V C 2.298 178.375 176.094 -0.029 0.000 1.041 543 V CA 1.218 63.547 62.300 0.048 0.000 1.040 543 V CB -0.132 31.733 31.823 0.071 0.000 0.671 543 V HN 0.090 nan 8.190 nan 0.000 0.455 544 V N 0.688 120.558 119.914 -0.073 0.000 2.282 544 V HA -0.376 3.770 4.120 0.043 0.000 0.249 544 V C 2.323 178.379 176.094 -0.064 0.000 1.057 544 V CA 2.647 64.884 62.300 -0.104 0.000 1.032 544 V CB -0.760 31.005 31.823 -0.096 0.000 0.645 544 V HN 0.668 nan 8.190 nan 0.000 0.447 545 D N -0.950 119.445 120.400 -0.009 0.000 2.133 545 D HA -0.222 4.444 4.640 0.043 0.000 0.195 545 D C 2.256 178.634 176.300 0.131 0.000 0.997 545 D CA 1.311 55.340 54.000 0.049 0.000 0.840 545 D CB -0.025 40.818 40.800 0.072 0.000 0.947 545 D HN 0.332 nan 8.370 nan 0.000 0.452 546 Q N -0.198 119.650 119.800 0.079 0.000 2.084 546 Q HA -0.070 4.296 4.340 0.043 0.000 0.202 546 Q C 2.558 178.588 176.000 0.050 0.000 0.978 546 Q CA 0.771 56.632 55.803 0.096 0.000 0.844 546 Q CB -0.461 28.353 28.738 0.126 0.000 0.898 546 Q HN 0.457 nan 8.270 nan 0.000 0.426 547 L N -0.006 121.180 121.223 -0.061 0.000 2.131 547 L HA -0.108 4.258 4.340 0.043 0.000 0.210 547 L C 2.243 179.000 176.870 -0.188 0.000 1.092 547 L CA 0.924 55.653 54.840 -0.186 0.000 0.759 547 L CB -0.621 41.217 42.059 -0.368 0.000 0.903 547 L HN 0.086 nan 8.230 nan 0.000 0.435 548 A N -0.835 121.899 122.820 -0.144 0.000 2.121 548 A HA -0.188 4.157 4.320 0.043 0.000 0.218 548 A C 1.745 179.156 177.584 -0.289 0.000 1.154 548 A CA 1.101 53.019 52.037 -0.200 0.000 0.679 548 A CB -0.703 18.188 19.000 -0.182 0.000 0.795 548 A HN 0.427 nan 8.150 nan 0.000 0.458 549 H N -1.243 117.617 119.070 -0.349 0.000 2.547 549 H HA 0.234 4.816 4.556 0.043 0.000 0.272 549 H C 1.562 176.589 175.328 -0.503 0.000 0.989 549 H CA 1.117 56.807 56.048 -0.597 0.000 1.214 549 H CB 0.087 29.109 29.762 -1.233 0.000 1.389 549 H HN 0.504 nan 8.280 nan 0.000 0.577 550 I N -1.342 119.118 120.570 -0.182 0.000 2.962 550 I HA 0.077 4.273 4.170 0.043 0.000 0.246 550 I C -0.174 175.869 176.117 -0.123 0.000 1.091 550 I CA 0.382 61.648 61.300 -0.057 0.000 1.469 550 I CB 0.722 38.718 38.000 -0.006 0.000 1.324 550 I HN 0.068 nan 8.210 nan 0.000 0.461 551 D N -0.105 120.148 120.400 -0.245 0.000 2.764 551 D HA 0.176 4.842 4.640 0.043 0.000 0.227 551 D C 0.437 176.570 176.300 -0.279 0.000 1.347 551 D CA -0.313 53.520 54.000 -0.278 0.000 0.953 551 D CB 1.467 41.971 40.800 -0.493 0.000 1.476 551 D HN -0.015 nan 8.370 nan 0.000 0.585 552 L N 2.839 123.959 121.223 -0.173 0.000 2.081 552 L HA -0.137 4.229 4.340 0.043 0.000 0.212 552 L C 1.335 178.127 176.870 -0.130 0.000 1.080 552 L CA 1.802 56.556 54.840 -0.144 0.000 0.754 552 L CB -0.335 41.668 42.059 -0.093 0.000 0.893 552 L HN 0.566 nan 8.230 nan 0.000 0.433 553 T N 0.311 114.811 114.554 -0.089 0.000 2.777 553 T HA -0.183 4.193 4.350 0.043 0.000 0.266 553 T C 1.761 176.410 174.700 -0.085 0.000 1.040 553 T CA 1.394 63.487 62.100 -0.011 0.000 1.141 553 T CB -0.252 68.697 68.868 0.135 0.000 0.868 553 T HN 0.290 nan 8.240 nan 0.000 0.444 554 L N 1.791 122.809 121.223 -0.343 0.000 1.989 554 L HA 0.024 4.390 4.340 0.043 0.000 0.211 554 L C 2.587 179.234 176.870 -0.372 0.000 1.071 554 L CA 2.159 56.633 54.840 -0.611 0.000 0.749 554 L CB -1.150 40.083 42.059 -1.377 0.000 0.890 554 L HN 0.199 nan 8.230 nan 0.000 0.431 555 A N -0.958 121.660 122.820 -0.337 0.000 1.883 555 A HA -0.278 4.068 4.320 0.043 0.000 0.217 555 A C 2.242 179.728 177.584 -0.163 0.000 1.186 555 A CA 2.038 53.925 52.037 -0.251 0.000 0.624 555 A CB -0.750 18.121 19.000 -0.216 0.000 0.822 555 A HN 0.703 nan 8.150 nan 0.000 0.444 556 Q N -0.916 118.811 119.800 -0.121 0.000 2.124 556 Q HA -0.083 4.283 4.340 0.043 0.000 0.202 556 Q C 2.426 178.398 176.000 -0.046 0.000 0.977 556 Q CA 1.238 56.999 55.803 -0.070 0.000 0.850 556 Q CB -0.345 28.365 28.738 -0.047 0.000 0.901 556 Q HN 0.702 nan 8.270 nan 0.000 0.429 557 A N 0.236 123.034 122.820 -0.037 0.000 1.898 557 A HA -0.126 4.220 4.320 0.043 0.000 0.216 557 A C 2.308 179.893 177.584 0.000 0.000 1.181 557 A CA 1.233 53.275 52.037 0.008 0.000 0.620 557 A CB -0.636 18.399 19.000 0.058 0.000 0.819 557 A HN 0.201 nan 8.150 nan 0.000 0.442 558 V N 0.068 119.953 119.914 -0.048 0.000 2.295 558 V HA -0.266 3.880 4.120 0.043 0.000 0.246 558 V C 3.077 179.138 176.094 -0.056 0.000 1.049 558 V CA 1.917 64.184 62.300 -0.054 0.000 1.024 558 V CB -1.442 30.293 31.823 -0.146 0.000 0.648 558 V HN 0.620 nan 8.190 nan 0.000 0.447 559 A N 0.062 122.837 122.820 -0.075 0.000 1.915 559 A HA -0.375 3.971 4.320 0.043 0.000 0.220 559 A C 2.360 179.924 177.584 -0.032 0.000 1.198 559 A CA 2.736 54.738 52.037 -0.059 0.000 0.647 559 A CB -0.629 18.335 19.000 -0.060 0.000 0.825 559 A HN 0.574 nan 8.150 nan 0.000 0.456 560 K N -0.827 119.562 120.400 -0.018 0.000 2.097 560 K HA -0.165 4.181 4.320 0.043 0.000 0.205 560 K C 1.474 178.079 176.600 0.007 0.000 1.050 560 K CA 1.478 57.764 56.287 -0.001 0.000 0.938 560 K CB -0.208 32.298 32.500 0.010 0.000 0.718 560 K HN 0.440 nan 8.250 nan 0.000 0.442 561 N N 0.761 119.468 118.700 0.013 0.000 2.381 561 N HA -0.085 4.681 4.740 0.043 0.000 0.182 561 N C 1.290 176.803 175.510 0.004 0.000 1.025 561 N CA 0.836 53.900 53.050 0.023 0.000 0.888 561 N CB 0.095 38.609 38.487 0.045 0.000 0.965 561 N HN 0.278 nan 8.380 nan 0.000 0.438 562 L N -0.964 120.250 121.223 -0.015 0.000 2.640 562 L HA 0.269 4.635 4.340 0.043 0.000 0.230 562 L C 0.940 177.797 176.870 -0.022 0.000 1.123 562 L CA -0.062 54.760 54.840 -0.031 0.000 0.900 562 L CB -0.074 41.952 42.059 -0.056 0.000 1.146 562 L HN 0.052 nan 8.230 nan 0.000 0.484 563 G N 1.679 110.471 108.800 -0.012 0.000 2.221 563 G HA2 -0.285 3.701 3.960 0.043 0.000 0.265 563 G HA3 -0.285 3.701 3.960 0.043 0.000 0.265 563 G C -0.035 174.857 174.900 -0.013 0.000 1.041 563 G CA 0.136 45.231 45.100 -0.008 0.000 0.807 563 G HN 0.325 nan 8.290 nan 0.000 0.502 564 I N -0.137 120.421 120.570 -0.020 0.000 2.441 564 I HA 0.413 4.609 4.170 0.043 0.000 0.295 564 I C 0.185 176.288 176.117 -0.023 0.000 0.994 564 I CA -0.743 60.543 61.300 -0.022 0.000 1.144 564 I CB 1.722 39.702 38.000 -0.033 0.000 1.314 564 I HN 0.069 nan 8.210 nan 0.000 0.445 565 E N 6.078 126.267 120.200 -0.019 0.000 2.151 565 E HA 0.445 4.821 4.350 0.043 0.000 0.275 565 E C -1.012 175.573 176.600 -0.026 0.000 0.936 565 E CA -0.764 55.623 56.400 -0.020 0.000 0.777 565 E CB 2.119 31.811 29.700 -0.014 0.000 1.108 565 E HN 0.411 nan 8.360 nan 0.000 0.401 566 L N 2.786 123.989 121.223 -0.034 0.000 2.456 566 L HA 0.083 4.449 4.340 0.043 0.000 0.272 566 L C 1.203 178.052 176.870 -0.034 0.000 1.189 566 L CA -0.127 54.688 54.840 -0.041 0.000 0.846 566 L CB 0.097 42.123 42.059 -0.055 0.000 1.111 566 L HN 0.651 nan 8.230 nan 0.000 0.475 567 T N -2.094 112.440 114.554 -0.033 0.000 2.766 567 T HA 0.026 4.402 4.350 0.043 0.000 0.295 567 T C 0.743 175.423 174.700 -0.034 0.000 1.024 567 T CA -0.701 61.382 62.100 -0.028 0.000 1.018 567 T CB 0.878 69.732 68.868 -0.023 0.000 1.002 567 T HN 0.509 nan 8.240 nan 0.000 0.532 568 D N 0.283 120.666 120.400 -0.028 0.000 2.117 568 D HA -0.072 4.594 4.640 0.043 0.000 0.197 568 D C 1.808 178.084 176.300 -0.040 0.000 0.987 568 D CA 1.097 55.078 54.000 -0.031 0.000 0.829 568 D CB -0.302 40.484 40.800 -0.023 0.000 0.961 568 D HN 0.578 nan 8.370 nan 0.000 0.460 569 D N 0.399 120.776 120.400 -0.038 0.000 2.097 569 D HA -0.137 4.529 4.640 0.043 0.000 0.195 569 D C 2.079 178.333 176.300 -0.077 0.000 0.989 569 D CA 0.796 54.767 54.000 -0.048 0.000 0.827 569 D CB -0.271 40.509 40.800 -0.033 0.000 0.966 569 D HN 0.327 nan 8.370 nan 0.000 0.456 570 Q N -0.297 119.456 119.800 -0.077 0.000 2.135 570 Q HA -0.121 4.245 4.340 0.043 0.000 0.204 570 Q C 1.911 177.837 176.000 -0.124 0.000 0.981 570 Q CA 0.561 56.295 55.803 -0.114 0.000 0.856 570 Q CB -0.000 28.685 28.738 -0.088 0.000 0.902 570 Q HN 0.152 nan 8.270 nan 0.000 0.425 571 L N 0.345 121.516 121.223 -0.088 0.000 2.362 571 L HA -0.122 4.244 4.340 0.043 0.000 0.219 571 L C 0.594 177.415 176.870 -0.083 0.000 1.134 571 L CA 1.653 56.446 54.840 -0.078 0.000 0.807 571 L CB -0.382 41.644 42.059 -0.054 0.000 0.927 571 L HN 0.213 nan 8.230 nan 0.000 0.447 572 N N -1.772 116.873 118.700 -0.091 0.000 2.200 572 N HA 0.227 4.993 4.740 0.043 0.000 0.224 572 N C 0.043 175.489 175.510 -0.106 0.000 1.179 572 N CA -0.181 52.820 53.050 -0.080 0.000 0.877 572 N CB 0.734 39.187 38.487 -0.058 0.000 1.072 572 N HN 0.121 nan 8.380 nan 0.000 0.519 573 I N 1.699 122.171 120.570 -0.163 0.000 2.598 573 I HA -0.033 4.163 4.170 0.043 0.000 0.284 573 I C 0.383 176.401 176.117 -0.166 0.000 1.140 573 I CA 0.271 61.436 61.300 -0.225 0.000 1.420 573 I CB 0.498 38.236 38.000 -0.437 0.000 1.387 573 I HN 0.063 nan 8.210 nan 0.000 0.553 574 T N 8.283 122.768 114.554 -0.115 0.000 2.888 574 T HA 0.141 4.517 4.350 0.043 0.000 0.301 574 T C -1.961 172.697 174.700 -0.070 0.000 1.001 574 T CA -0.798 61.261 62.100 -0.068 0.000 1.147 574 T CB 0.101 68.951 68.868 -0.031 0.000 0.931 574 T HN 0.420 nan 8.240 nan 0.000 0.541 575 P HA 0.244 nan 4.420 nan 0.000 0.272 575 P C -2.451 174.860 177.300 0.019 0.000 1.223 575 P CA -1.454 61.630 63.100 -0.028 0.000 0.784 575 P CB -0.444 31.251 31.700 -0.009 0.000 0.923 576 P HA 0.225 nan 4.420 nan 0.000 0.274 576 P C -2.314 175.041 177.300 0.091 0.000 1.237 576 P CA -1.398 61.768 63.100 0.111 0.000 0.793 576 P CB -1.053 30.760 31.700 0.189 0.000 0.977 577 P HA 0.051 nan 4.420 nan 0.000 0.270 577 P C -0.457 176.893 177.300 0.083 0.000 1.223 577 P CA 0.074 63.222 63.100 0.080 0.000 0.785 577 P CB 0.187 31.936 31.700 0.082 0.000 0.923 578 D N -0.327 120.115 120.400 0.069 0.000 2.363 578 D HA 0.154 4.820 4.640 0.043 0.000 0.240 578 D C -0.291 176.058 176.300 0.082 0.000 1.236 578 D CA -0.376 53.662 54.000 0.064 0.000 0.927 578 D CB -0.152 40.678 40.800 0.051 0.000 1.150 578 D HN -0.006 nan 8.370 nan 0.000 0.458 579 V N 1.291 121.245 119.914 0.066 0.000 2.333 579 V HA 0.159 4.305 4.120 0.043 0.000 0.274 579 V C -0.059 176.124 176.094 0.148 0.000 1.028 579 V CA -0.836 61.531 62.300 0.112 0.000 0.851 579 V CB -0.354 31.446 31.823 -0.038 0.000 1.000 579 V HN 0.684 nan 8.190 nan 0.000 0.456 580 N N 4.453 123.264 118.700 0.185 0.000 2.707 580 N HA -0.227 4.539 4.740 0.043 0.000 0.253 580 N C 1.182 176.761 175.510 0.115 0.000 0.998 580 N CA 1.095 54.245 53.050 0.166 0.000 0.751 580 N CB -0.853 37.784 38.487 0.250 0.000 0.920 580 N HN 1.329 nan 8.380 nan 0.000 0.539 581 G N -1.979 106.873 108.800 0.086 0.000 2.184 581 G HA2 -0.337 3.649 3.960 0.043 0.000 0.264 581 G HA3 -0.337 3.649 3.960 0.043 0.000 0.264 581 G C 0.129 175.061 174.900 0.053 0.000 0.975 581 G CA 0.450 45.587 45.100 0.062 0.000 0.642 581 G HN 0.428 nan 8.290 nan 0.000 0.536 582 L N -0.106 121.151 121.223 0.057 0.000 2.305 582 L HA 0.462 4.827 4.340 0.043 0.000 0.281 582 L C 1.361 178.246 176.870 0.025 0.000 1.085 582 L CA -0.298 54.565 54.840 0.038 0.000 0.813 582 L CB 1.335 43.416 42.059 0.036 0.000 1.157 582 L HN 0.035 nan 8.230 nan 0.000 0.436 583 K N 3.003 123.412 120.400 0.015 0.000 2.387 583 K HA 0.170 4.516 4.320 0.043 0.000 0.203 583 K C -0.620 175.974 176.600 -0.010 0.000 1.030 583 K CA 0.002 56.295 56.287 0.010 0.000 1.099 583 K CB 0.487 32.994 32.500 0.011 0.000 0.863 583 K HN 0.564 nan 8.250 nan 0.000 0.529 584 K N -0.768 119.621 120.400 -0.018 0.000 2.931 584 K HA 0.187 4.533 4.320 0.043 0.000 0.292 584 K C -2.159 174.422 176.600 -0.031 0.000 1.077 584 K CA -0.972 55.288 56.287 -0.044 0.000 0.829 584 K CB 0.968 33.425 32.500 -0.073 0.000 1.488 584 K HN -0.228 nan 8.250 nan 0.000 0.358 585 D N 1.221 121.595 120.400 -0.044 0.000 2.375 585 D HA 0.325 4.991 4.640 0.043 0.000 0.241 585 D C -2.280 174.001 176.300 -0.032 0.000 1.361 585 D CA -1.903 52.089 54.000 -0.013 0.000 0.995 585 D CB 2.176 42.988 40.800 0.020 0.000 1.312 585 D HN 0.237 nan 8.370 nan 0.000 0.576 586 P HA -0.050 nan 4.420 nan 0.000 0.230 586 P C 1.225 178.513 177.300 -0.021 0.000 1.158 586 P CA 0.636 63.703 63.100 -0.055 0.000 0.769 586 P CB 0.226 31.904 31.700 -0.037 0.000 0.807 587 S N -1.188 114.532 115.700 0.033 0.000 2.547 587 S HA -0.045 4.451 4.470 0.043 0.000 0.235 587 S C 1.555 176.232 174.600 0.128 0.000 0.980 587 S CA 0.760 59.016 58.200 0.093 0.000 0.941 587 S CB -1.271 62.010 63.200 0.135 0.000 0.763 587 S HN 0.164 nan 8.310 nan 0.000 0.532 588 L N 1.055 122.309 121.223 0.051 0.000 2.509 588 L HA 0.246 4.612 4.340 0.043 0.000 0.222 588 L C 1.358 178.104 176.870 -0.206 0.000 1.123 588 L CA 0.005 54.864 54.840 0.031 0.000 0.856 588 L CB -0.117 41.941 42.059 -0.002 0.000 0.985 588 L HN 0.300 nan 8.230 nan 0.000 0.456 589 S N -0.393 115.179 115.700 -0.214 0.000 2.585 589 S HA 0.307 4.803 4.470 0.043 0.000 0.277 589 S C 1.058 175.526 174.600 -0.221 0.000 1.241 589 S CA -0.611 57.406 58.200 -0.305 0.000 1.041 589 S CB 1.342 64.370 63.200 -0.287 0.000 0.987 589 S HN 0.166 nan 8.310 nan 0.000 0.512 590 L N 3.233 124.248 121.223 -0.346 0.000 2.156 590 L HA 0.022 4.388 4.340 0.043 0.000 0.208 590 L C 0.799 177.385 176.870 -0.473 0.000 1.095 590 L CA 1.135 55.677 54.840 -0.496 0.000 0.770 590 L CB -0.232 41.248 42.059 -0.966 0.000 0.914 590 L HN 0.779 nan 8.230 nan 0.000 0.439 591 Y N -2.511 117.767 120.300 -0.037 0.000 2.432 591 Y HA 0.332 4.908 4.550 0.043 0.000 0.252 591 Y C 2.125 178.038 175.900 0.022 0.000 1.097 591 Y CA -0.095 58.037 58.100 0.052 0.000 1.250 591 Y CB -0.449 38.088 38.460 0.128 0.000 1.245 591 Y HN -0.045 nan 8.280 nan 0.000 0.522 592 A N 0.777 123.616 122.820 0.031 0.000 1.917 592 A HA -0.117 4.229 4.320 0.043 0.000 0.219 592 A C 0.883 178.500 177.584 0.055 0.000 1.182 592 A CA 1.314 53.346 52.037 -0.007 0.000 0.633 592 A CB -0.810 18.133 19.000 -0.096 0.000 0.819 592 A HN 0.312 nan 8.150 nan 0.000 0.448 593 I N 1.045 121.653 120.570 0.064 0.000 2.354 593 I HA 0.270 4.466 4.170 0.043 0.000 0.286 593 I C -2.429 173.757 176.117 0.115 0.000 1.007 593 I CA -2.268 59.078 61.300 0.077 0.000 1.167 593 I CB 1.640 39.673 38.000 0.055 0.000 1.320 593 I HN 0.016 nan 8.210 nan 0.000 0.458 594 P HA 0.046 nan 4.420 nan 0.000 0.264 594 P C -0.547 176.829 177.300 0.128 0.000 1.183 594 P CA 0.130 63.326 63.100 0.159 0.000 0.763 594 P CB 0.404 32.184 31.700 0.133 0.000 0.807 595 D N 0.611 121.095 120.400 0.141 0.000 2.914 595 D HA 0.150 4.816 4.640 0.043 0.000 0.349 595 D C 0.475 176.836 176.300 0.101 0.000 1.540 595 D CA -0.522 53.540 54.000 0.105 0.000 0.778 595 D CB -0.501 40.355 40.800 0.094 0.000 1.213 595 D HN 0.340 nan 8.370 nan 0.000 0.451 596 G N 0.101 108.971 108.800 0.116 0.000 2.554 596 G HA2 0.360 4.346 3.960 0.043 0.000 0.238 596 G HA3 0.360 4.346 3.960 0.043 0.000 0.238 596 G C -0.588 174.352 174.900 0.066 0.000 1.259 596 G CA 0.004 45.167 45.100 0.105 0.000 0.843 596 G HN 0.221 nan 8.290 nan 0.000 0.582 597 D N 0.274 120.705 120.400 0.053 0.000 2.891 597 D HA 0.154 4.820 4.640 0.043 0.000 0.224 597 D C 0.790 177.102 176.300 0.021 0.000 1.321 597 D CA -0.505 53.512 54.000 0.027 0.000 0.929 597 D CB 1.737 42.546 40.800 0.016 0.000 1.551 597 D HN 0.368 nan 8.370 nan 0.000 0.574 598 V N 1.785 121.704 119.914 0.008 0.000 3.506 598 V HA 0.288 4.434 4.120 0.043 0.000 0.263 598 V C 1.011 177.086 176.094 -0.032 0.000 1.203 598 V CA 0.096 62.395 62.300 -0.000 0.000 1.133 598 V CB -0.604 31.215 31.823 -0.007 0.000 0.802 598 V HN 0.401 nan 8.190 nan 0.000 0.459 599 K N 1.283 121.658 120.400 -0.043 0.000 2.484 599 K HA 0.359 4.705 4.320 0.043 0.000 0.280 599 K C 1.320 177.871 176.600 -0.081 0.000 1.013 599 K CA 1.158 57.398 56.287 -0.080 0.000 1.029 599 K CB 0.069 32.529 32.500 -0.067 0.000 0.902 599 K HN 0.715 nan 8.250 nan 0.000 0.481 600 G N 3.171 111.880 108.800 -0.151 0.000 2.225 600 G HA2 -0.233 3.753 3.960 0.043 0.000 0.254 600 G HA3 -0.233 3.753 3.960 0.043 0.000 0.254 600 G C 0.143 175.062 174.900 0.032 0.000 0.988 600 G CA -0.163 44.911 45.100 -0.044 0.000 0.625 600 G HN 0.567 nan 8.290 nan 0.000 0.527 601 R N -0.077 120.419 120.500 -0.006 0.000 2.863 601 R HA 0.587 4.953 4.340 0.043 0.000 0.273 601 R C 0.208 176.547 176.300 0.066 0.000 1.057 601 R CA 0.184 56.315 56.100 0.051 0.000 1.191 601 R CB 0.699 31.025 30.300 0.044 0.000 1.104 601 R HN 0.734 nan 8.270 nan 0.000 0.519 602 V N 0.423 120.402 119.914 0.108 0.000 2.841 602 V HA 0.478 4.624 4.120 0.043 0.000 0.310 602 V C -1.075 175.080 176.094 0.102 0.000 1.090 602 V CA -0.740 61.641 62.300 0.133 0.000 0.930 602 V CB 2.516 34.448 31.823 0.182 0.000 1.014 602 V HN 0.349 nan 8.190 nan 0.000 0.425 603 V N 5.467 125.437 119.914 0.093 0.000 2.555 603 V HA 0.825 4.971 4.120 0.043 0.000 0.302 603 V C 0.422 176.570 176.094 0.090 0.000 1.038 603 V CA -0.168 62.177 62.300 0.075 0.000 0.887 603 V CB 1.723 33.575 31.823 0.048 0.000 0.991 603 V HN 1.198 nan 8.190 nan 0.000 0.434 604 A N 5.772 128.652 122.820 0.099 0.000 2.331 604 A HA 0.803 5.149 4.320 0.043 0.000 0.283 604 A C -0.506 177.090 177.584 0.020 0.000 1.142 604 A CA -0.310 51.772 52.037 0.075 0.000 0.812 604 A CB 0.186 19.256 19.000 0.115 0.000 1.074 604 A HN 0.768 nan 8.150 nan 0.000 0.497 605 I N 3.231 123.807 120.570 0.010 0.000 2.354 605 I HA 0.167 4.363 4.170 0.043 0.000 0.286 605 I C -1.020 175.104 176.117 0.011 0.000 1.007 605 I CA -0.690 60.619 61.300 0.015 0.000 1.167 605 I CB 1.466 39.487 38.000 0.035 0.000 1.320 605 I HN 0.363 nan 8.210 nan 0.000 0.458 606 L N 7.658 128.876 121.223 -0.009 0.000 2.283 606 L HA 0.376 4.742 4.340 0.043 0.000 0.287 606 L C 0.097 177.063 176.870 0.160 0.000 1.073 606 L CA 0.154 55.036 54.840 0.071 0.000 0.822 606 L CB 0.354 42.317 42.059 -0.160 0.000 1.186 606 L HN 0.415 nan 8.230 nan 0.000 0.436 607 L N 3.602 124.977 121.223 0.253 0.000 2.439 607 L HA 0.440 4.806 4.340 0.043 0.000 0.259 607 L C 0.169 177.234 176.870 0.325 0.000 1.129 607 L CA -0.684 54.267 54.840 0.186 0.000 0.803 607 L CB 1.168 43.256 42.059 0.048 0.000 1.161 607 L HN 0.731 nan 8.230 nan 0.000 0.462 608 N N -2.017 116.783 118.700 0.166 0.000 2.577 608 N HA 0.216 4.981 4.740 0.043 0.000 0.285 608 N C -0.168 175.335 175.510 -0.011 0.000 1.309 608 N CA -0.765 52.418 53.050 0.221 0.000 0.798 608 N CB 0.795 39.400 38.487 0.197 0.000 1.463 608 N HN 0.543 nan 8.380 nan 0.000 0.518 609 D N -1.566 118.858 120.400 0.041 0.000 2.348 609 D HA -0.130 4.536 4.640 0.043 0.000 0.216 609 D C -0.223 176.042 176.300 -0.058 0.000 0.970 609 D CA 0.946 54.898 54.000 -0.080 0.000 0.889 609 D CB -0.034 40.791 40.800 0.042 0.000 0.912 609 D HN 0.795 nan 8.370 nan 0.000 0.524 610 E N 0.530 120.717 120.200 -0.021 0.000 3.626 610 E HA 0.264 4.640 4.350 0.043 0.000 0.245 610 E C -1.180 175.412 176.600 -0.014 0.000 1.236 610 E CA -0.484 55.903 56.400 -0.021 0.000 1.072 610 E CB 0.671 30.366 29.700 -0.008 0.000 1.309 610 E HN -0.131 nan 8.360 nan 0.000 0.400 611 V N 2.305 122.204 119.914 -0.025 0.000 2.763 611 V HA 0.012 4.158 4.120 0.043 0.000 0.306 611 V C 0.860 176.943 176.094 -0.019 0.000 1.059 611 V CA 0.321 62.612 62.300 -0.015 0.000 1.138 611 V CB 0.680 32.492 31.823 -0.020 0.000 0.940 611 V HN 0.541 nan 8.190 nan 0.000 0.489 612 R N 3.315 123.804 120.500 -0.017 0.000 2.357 612 R HA 0.055 4.421 4.340 0.043 0.000 0.330 612 R C 1.571 177.853 176.300 -0.029 0.000 1.102 612 R CA 0.523 56.607 56.100 -0.026 0.000 0.974 612 R CB 0.234 30.513 30.300 -0.035 0.000 1.002 612 R HN 0.989 nan 8.270 nan 0.000 0.463 613 S N 3.073 118.757 115.700 -0.027 0.000 2.399 613 S HA -0.228 4.268 4.470 0.043 0.000 0.231 613 S C 1.972 176.557 174.600 -0.025 0.000 1.022 613 S CA 0.882 59.067 58.200 -0.024 0.000 0.983 613 S CB -0.140 63.047 63.200 -0.022 0.000 0.803 613 S HN 0.674 nan 8.310 nan 0.000 0.480 614 A N 2.299 125.101 122.820 -0.031 0.000 1.930 614 A HA -0.104 4.242 4.320 0.043 0.000 0.217 614 A C 1.944 179.500 177.584 -0.048 0.000 1.175 614 A CA 1.592 53.608 52.037 -0.035 0.000 0.627 614 A CB -0.802 18.176 19.000 -0.037 0.000 0.815 614 A HN 0.438 nan 8.150 nan 0.000 0.443 615 D N -0.079 120.282 120.400 -0.064 0.000 2.092 615 D HA -0.150 4.516 4.640 0.043 0.000 0.193 615 D C 1.910 178.184 176.300 -0.043 0.000 0.994 615 D CA 0.942 54.889 54.000 -0.089 0.000 0.828 615 D CB -0.416 40.321 40.800 -0.105 0.000 0.963 615 D HN 0.320 nan 8.370 nan 0.000 0.450 616 L N 0.252 121.461 121.223 -0.023 0.000 2.083 616 L HA -0.176 4.190 4.340 0.043 0.000 0.209 616 L C 2.280 179.153 176.870 0.005 0.000 1.083 616 L CA 0.860 55.700 54.840 -0.001 0.000 0.752 616 L CB -0.235 41.822 42.059 -0.003 0.000 0.899 616 L HN 0.092 nan 8.230 nan 0.000 0.433 617 L N 0.047 121.268 121.223 -0.004 0.000 2.046 617 L HA -0.158 4.208 4.340 0.043 0.000 0.208 617 L C 2.721 179.596 176.870 0.008 0.000 1.077 617 L CA 2.090 56.930 54.840 0.001 0.000 0.747 617 L CB -0.877 41.179 42.059 -0.006 0.000 0.896 617 L HN 0.234 nan 8.230 nan 0.000 0.432 618 A N -0.909 121.913 122.820 0.004 0.000 1.930 618 A HA -0.133 4.213 4.320 0.043 0.000 0.217 618 A C 2.266 179.877 177.584 0.046 0.000 1.175 618 A CA 1.593 53.641 52.037 0.017 0.000 0.627 618 A CB -0.654 18.347 19.000 0.001 0.000 0.815 618 A HN 0.404 nan 8.150 nan 0.000 0.443 619 I N -0.168 120.435 120.570 0.054 0.000 2.076 619 I HA -0.290 3.906 4.170 0.043 0.000 0.237 619 I C 2.405 178.558 176.117 0.059 0.000 1.059 619 I CA 1.453 62.806 61.300 0.088 0.000 1.317 619 I CB -0.416 37.641 38.000 0.095 0.000 1.037 619 I HN 0.281 nan 8.210 nan 0.000 0.398 620 L N 0.555 121.803 121.223 0.042 0.000 2.079 620 L HA -0.256 4.110 4.340 0.043 0.000 0.210 620 L C 2.648 179.534 176.870 0.026 0.000 1.081 620 L CA 1.444 56.304 54.840 0.033 0.000 0.752 620 L CB -0.728 41.348 42.059 0.028 0.000 0.896 620 L HN 0.314 nan 8.230 nan 0.000 0.433 621 K N 0.744 121.158 120.400 0.024 0.000 2.026 621 K HA -0.190 4.156 4.320 0.043 0.000 0.208 621 K C 2.152 178.763 176.600 0.019 0.000 1.048 621 K CA 1.441 57.740 56.287 0.019 0.000 0.929 621 K CB -0.075 32.435 32.500 0.017 0.000 0.713 621 K HN 0.244 nan 8.250 nan 0.000 0.439 622 A N 1.720 124.556 122.820 0.027 0.000 1.902 622 A HA -0.100 4.246 4.320 0.043 0.000 0.217 622 A C 2.218 179.808 177.584 0.010 0.000 1.181 622 A CA 1.278 53.330 52.037 0.025 0.000 0.623 622 A CB -0.594 18.433 19.000 0.045 0.000 0.818 622 A HN 0.325 nan 8.150 nan 0.000 0.443 623 L N -0.654 120.577 121.223 0.012 0.000 2.017 623 L HA -0.212 4.154 4.340 0.043 0.000 0.208 623 L C 2.653 179.507 176.870 -0.026 0.000 1.073 623 L CA 1.932 56.767 54.840 -0.007 0.000 0.745 623 L CB -0.572 41.490 42.059 0.004 0.000 0.894 623 L HN 0.438 nan 8.230 nan 0.000 0.432 624 K N 0.539 120.934 120.400 -0.009 0.000 2.059 624 K HA -0.260 4.086 4.320 0.043 0.000 0.212 624 K C 2.067 178.655 176.600 -0.020 0.000 1.050 624 K CA 1.820 58.101 56.287 -0.011 0.000 0.927 624 K CB -0.168 32.336 32.500 0.007 0.000 0.714 624 K HN 0.308 nan 8.250 nan 0.000 0.447 625 A N 0.871 123.684 122.820 -0.011 0.000 2.070 625 A HA -0.122 4.224 4.320 0.043 0.000 0.220 625 A C 1.600 179.171 177.584 -0.021 0.000 1.159 625 A CA 1.365 53.395 52.037 -0.011 0.000 0.656 625 A CB -0.076 18.922 19.000 -0.002 0.000 0.800 625 A HN 0.236 nan 8.150 nan 0.000 0.453 626 K N -1.716 118.664 120.400 -0.032 0.000 2.373 626 K HA 0.232 4.578 4.320 0.043 0.000 0.202 626 K C 0.776 177.331 176.600 -0.074 0.000 1.025 626 K CA 0.547 56.809 56.287 -0.042 0.000 1.115 626 K CB 0.409 32.888 32.500 -0.034 0.000 0.858 626 K HN 0.642 nan 8.250 nan 0.000 0.525 627 G N 1.824 110.566 108.800 -0.096 0.000 2.160 627 G HA2 -0.218 3.768 3.960 0.043 0.000 0.244 627 G HA3 -0.218 3.768 3.960 0.043 0.000 0.244 627 G C 0.004 174.713 174.900 -0.318 0.000 1.022 627 G CA 0.072 45.074 45.100 -0.164 0.000 0.741 627 G HN 0.100 nan 8.290 nan 0.000 0.508 628 V N 0.742 120.506 119.914 -0.250 0.000 2.439 628 V HA 0.512 4.658 4.120 0.043 0.000 0.282 628 V C 0.787 176.714 176.094 -0.279 0.000 1.039 628 V CA -0.789 61.353 62.300 -0.264 0.000 0.913 628 V CB 1.116 32.875 31.823 -0.107 0.000 0.983 628 V HN 0.456 nan 8.190 nan 0.000 0.460 629 H N 1.774 120.855 119.070 0.018 0.000 2.509 629 H HA 0.781 5.363 4.556 0.044 0.000 0.359 629 H C 0.200 175.547 175.328 0.032 0.000 1.253 629 H CA 0.100 56.161 56.048 0.022 0.000 1.373 629 H CB 1.189 30.965 29.762 0.024 0.000 1.555 629 H HN 0.859 nan 8.280 nan 0.000 0.586 630 A N 0.936 123.862 122.820 0.176 0.000 2.475 630 A HA 0.521 4.867 4.320 0.043 0.000 0.301 630 A C -1.177 176.465 177.584 0.095 0.000 1.059 630 A CA -1.031 51.071 52.037 0.108 0.000 0.710 630 A CB 1.272 20.317 19.000 0.076 0.000 1.288 630 A HN 0.773 nan 8.150 nan 0.000 0.408 631 K N 2.322 122.770 120.400 0.081 0.000 2.376 631 K HA 0.689 5.035 4.320 0.043 0.000 0.257 631 K C -1.542 175.082 176.600 0.040 0.000 0.939 631 K CA -0.557 55.766 56.287 0.061 0.000 0.809 631 K CB 1.490 34.033 32.500 0.072 0.000 1.121 631 K HN 0.530 nan 8.250 nan 0.000 0.425 632 L N 4.274 125.512 121.223 0.024 0.000 2.278 632 L HA 0.284 4.650 4.340 0.043 0.000 0.287 632 L C -0.722 176.144 176.870 -0.007 0.000 1.072 632 L CA -1.019 53.827 54.840 0.011 0.000 0.819 632 L CB 0.329 42.389 42.059 0.002 0.000 1.176 632 L HN 0.482 nan 8.230 nan 0.000 0.435 633 L N 4.475 125.693 121.223 -0.009 0.000 2.334 633 L HA 0.601 4.967 4.340 0.043 0.000 0.273 633 L C -0.469 176.303 176.870 -0.164 0.000 1.013 633 L CA -0.318 54.463 54.840 -0.099 0.000 0.816 633 L CB 1.525 43.547 42.059 -0.062 0.000 1.278 633 L HN 0.345 nan 8.230 nan 0.000 0.431 634 Y N -0.629 119.226 120.300 -0.742 0.000 2.900 634 Y HA 0.292 4.868 4.550 0.043 0.000 0.318 634 Y C 0.854 176.063 175.900 -1.151 0.000 1.457 634 Y CA -0.430 57.150 58.100 -0.867 0.000 1.082 634 Y CB 1.351 39.631 38.460 -0.300 0.000 1.419 634 Y HN 0.544 nan 8.280 nan 0.000 0.459 635 S N 0.526 115.395 115.700 -1.384 0.000 2.558 635 S HA 0.267 4.763 4.470 0.043 0.000 0.217 635 S C -0.019 174.332 174.600 -0.415 0.000 0.975 635 S CA 0.280 58.026 58.200 -0.756 0.000 0.912 635 S CB -0.160 62.701 63.200 -0.565 0.000 0.776 635 S HN 0.578 nan 8.310 nan 0.000 0.526 636 R N -1.089 119.234 120.500 -0.296 0.000 2.795 636 R HA 0.641 5.007 4.340 0.043 0.000 0.268 636 R C -0.763 175.540 176.300 0.005 0.000 1.041 636 R CA -1.145 54.910 56.100 -0.076 0.000 0.927 636 R CB 0.467 30.768 30.300 0.002 0.000 1.235 636 R HN -0.083 nan 8.270 nan 0.000 0.463 637 M N 0.194 119.795 119.600 0.002 0.000 2.114 637 M HA 0.451 4.957 4.480 0.043 0.000 0.280 637 M C 1.059 177.375 176.300 0.026 0.000 1.209 637 M CA 1.042 56.348 55.300 0.009 0.000 1.044 637 M CB 0.487 33.084 32.600 -0.005 0.000 1.404 637 M HN 1.033 nan 8.290 nan 0.000 0.499 638 G N 0.996 109.800 108.800 0.008 0.000 2.709 638 G HA2 -0.133 3.853 3.960 0.043 0.000 0.228 638 G HA3 -0.133 3.853 3.960 0.043 0.000 0.228 638 G C -0.864 174.025 174.900 -0.019 0.000 1.215 638 G CA -0.328 44.772 45.100 -0.001 0.000 1.003 638 G HN 0.663 nan 8.290 nan 0.000 0.584 639 E N -0.810 119.370 120.200 -0.034 0.000 2.393 639 E HA 0.632 5.008 4.350 0.043 0.000 0.273 639 E C -0.426 176.099 176.600 -0.124 0.000 0.918 639 E CA -0.606 55.753 56.400 -0.069 0.000 0.773 639 E CB 2.897 32.567 29.700 -0.050 0.000 1.275 639 E HN 1.328 nan 8.360 nan 0.000 0.451 640 V N -2.151 117.659 119.914 -0.173 0.000 3.126 640 V HA 0.755 4.901 4.120 0.043 0.000 0.314 640 V C -0.565 175.451 176.094 -0.131 0.000 1.138 640 V CA -0.682 61.493 62.300 -0.207 0.000 1.034 640 V CB 1.970 33.559 31.823 -0.391 0.000 1.075 640 V HN 0.666 nan 8.190 nan 0.000 0.442 641 T N 1.971 116.459 114.554 -0.109 0.000 2.792 641 T HA 0.785 5.161 4.350 0.043 0.000 0.280 641 T C 0.233 174.895 174.700 -0.064 0.000 0.990 641 T CA 0.264 62.321 62.100 -0.071 0.000 0.960 641 T CB 1.298 70.136 68.868 -0.051 0.000 0.939 641 T HN 1.363 nan 8.240 nan 0.000 0.439 642 A N 2.435 125.224 122.820 -0.052 0.000 2.366 642 A HA 0.299 4.645 4.320 0.043 0.000 0.250 642 A C 1.660 179.225 177.584 -0.031 0.000 1.099 642 A CA -0.159 51.853 52.037 -0.041 0.000 0.794 642 A CB 0.004 18.983 19.000 -0.034 0.000 1.056 642 A HN 0.948 nan 8.150 nan 0.000 0.499 643 D N 0.398 120.783 120.400 -0.026 0.000 2.191 643 D HA -0.250 4.416 4.640 0.043 0.000 0.195 643 D C 0.709 176.998 176.300 -0.019 0.000 1.003 643 D CA 1.908 55.896 54.000 -0.021 0.000 0.867 643 D CB -0.387 40.402 40.800 -0.019 0.000 0.926 643 D HN 0.646 nan 8.370 nan 0.000 0.450 644 D N -1.501 118.887 120.400 -0.020 0.000 2.358 644 D HA 0.208 4.873 4.640 0.043 0.000 0.224 644 D C 1.601 177.891 176.300 -0.018 0.000 1.123 644 D CA 0.457 54.446 54.000 -0.018 0.000 0.833 644 D CB -0.018 40.772 40.800 -0.017 0.000 0.946 644 D HN 0.440 nan 8.370 nan 0.000 0.505 645 G N 0.008 108.795 108.800 -0.021 0.000 2.217 645 G HA2 -0.274 3.712 3.960 0.043 0.000 0.246 645 G HA3 -0.274 3.712 3.960 0.043 0.000 0.246 645 G C 0.492 175.379 174.900 -0.023 0.000 0.990 645 G CA 0.251 45.339 45.100 -0.020 0.000 0.627 645 G HN 0.452 nan 8.290 nan 0.000 0.522 646 T N 1.353 115.893 114.554 -0.023 0.000 2.902 646 T HA 0.401 4.777 4.350 0.043 0.000 0.301 646 T C 0.552 175.233 174.700 -0.031 0.000 1.012 646 T CA 0.212 62.298 62.100 -0.024 0.000 1.151 646 T CB 2.190 71.045 68.868 -0.022 0.000 0.946 646 T HN 0.471 nan 8.240 nan 0.000 0.542 647 V N 5.122 125.019 119.914 -0.029 0.000 2.383 647 V HA 0.257 4.403 4.120 0.043 0.000 0.275 647 V C -0.276 175.795 176.094 -0.038 0.000 1.036 647 V CA -0.741 61.537 62.300 -0.036 0.000 0.889 647 V CB 1.054 32.859 31.823 -0.029 0.000 0.985 647 V HN 0.554 nan 8.190 nan 0.000 0.459 648 L N 9.161 130.351 121.223 -0.054 0.000 2.276 648 L HA 0.517 4.883 4.340 0.043 0.000 0.286 648 L C -2.143 174.692 176.870 -0.059 0.000 1.024 648 L CA -2.289 52.519 54.840 -0.054 0.000 0.826 648 L CB 1.444 43.461 42.059 -0.070 0.000 1.211 648 L HN 0.422 nan 8.230 nan 0.000 0.422 649 P HA 0.269 nan 4.420 nan 0.000 0.280 649 P C -0.319 176.962 177.300 -0.032 0.000 1.244 649 P CA -0.285 62.796 63.100 -0.032 0.000 0.784 649 P CB 1.136 32.825 31.700 -0.018 0.000 0.913 650 I N 2.166 122.717 120.570 -0.031 0.000 2.395 650 I HA 0.188 4.384 4.170 0.043 0.000 0.289 650 I C 1.631 177.739 176.117 -0.015 0.000 1.023 650 I CA -0.339 60.946 61.300 -0.024 0.000 1.350 650 I CB 1.296 39.288 38.000 -0.013 0.000 1.409 650 I HN 0.373 nan 8.210 nan 0.000 0.507 651 A N 5.213 128.025 122.820 -0.012 0.000 1.903 651 A HA 0.561 4.907 4.320 0.043 0.000 0.213 651 A C 0.969 178.549 177.584 -0.007 0.000 1.185 651 A CA 1.227 53.262 52.037 -0.003 0.000 0.628 651 A CB 0.016 19.022 19.000 0.010 0.000 0.830 651 A HN 0.812 nan 8.150 nan 0.000 0.446 652 A N -1.925 120.880 122.820 -0.025 0.000 2.586 652 A HA 0.582 4.928 4.320 0.043 0.000 0.290 652 A C -0.096 177.425 177.584 -0.105 0.000 1.086 652 A CA 0.098 52.115 52.037 -0.032 0.000 0.665 652 A CB -0.106 18.902 19.000 0.012 0.000 1.279 652 A HN 0.738 nan 8.150 nan 0.000 0.423 653 T N -1.506 112.979 114.554 -0.115 0.000 2.899 653 T HA 0.547 4.923 4.350 0.043 0.000 0.284 653 T C 0.922 175.536 174.700 -0.142 0.000 1.004 653 T CA -0.085 61.868 62.100 -0.244 0.000 1.043 653 T CB 0.117 68.896 68.868 -0.148 0.000 1.013 653 T HN 0.465 nan 8.240 nan 0.000 0.518 654 F N 0.737 120.697 119.950 0.016 0.000 2.115 654 F HA -0.095 4.458 4.527 0.043 0.000 0.300 654 F C 2.889 178.812 175.800 0.205 0.000 1.092 654 F CA 1.258 59.315 58.000 0.094 0.000 1.245 654 F CB -0.640 38.397 39.000 0.062 0.000 0.995 654 F HN 0.720 nan 8.300 nan 0.000 0.481 655 A N 0.092 123.065 122.820 0.255 0.000 1.970 655 A HA 0.105 4.451 4.320 0.043 0.000 0.216 655 A C 2.422 180.074 177.584 0.112 0.000 1.170 655 A CA 1.249 53.387 52.037 0.169 0.000 0.645 655 A CB -1.317 17.745 19.000 0.103 0.000 0.816 655 A HN 0.382 nan 8.150 nan 0.000 0.447 656 G N -0.668 108.183 108.800 0.085 0.000 2.421 656 G HA2 0.272 4.258 3.960 0.043 0.000 0.217 656 G HA3 0.272 4.258 3.960 0.043 0.000 0.217 656 G C 0.704 175.652 174.900 0.080 0.000 1.143 656 G CA 0.941 46.075 45.100 0.056 0.000 0.784 656 G HN 1.007 nan 8.290 nan 0.000 0.541 657 A N 0.864 123.765 122.820 0.136 0.000 2.978 657 A HA 0.713 5.059 4.320 0.043 0.000 0.341 657 A C -2.640 175.115 177.584 0.285 0.000 1.105 657 A CA -1.191 50.948 52.037 0.169 0.000 0.819 657 A CB 1.173 20.262 19.000 0.148 0.000 1.080 657 A HN 0.104 nan 8.150 nan 0.000 0.476 658 P HA 0.033 nan 4.420 nan 0.000 0.271 658 P C 1.380 178.547 177.300 -0.222 0.000 1.233 658 P CA 0.323 63.405 63.100 -0.030 0.000 0.789 658 P CB 0.745 32.399 31.700 -0.078 0.000 0.951 659 S N 0.717 115.924 115.700 -0.822 0.000 2.442 659 S HA -0.143 4.352 4.470 0.043 0.000 0.236 659 S C 1.811 176.271 174.600 -0.234 0.000 1.007 659 S CA 1.024 58.851 58.200 -0.622 0.000 0.965 659 S CB -1.348 61.338 63.200 -0.855 0.000 0.773 659 S HN 0.322 nan 8.310 nan 0.000 0.504 660 L N 1.830 122.919 121.223 -0.224 0.000 2.137 660 L HA -0.125 4.241 4.340 0.043 0.000 0.213 660 L C 2.941 179.644 176.870 -0.278 0.000 1.085 660 L CA 1.758 56.461 54.840 -0.229 0.000 0.760 660 L CB -1.386 40.513 42.059 -0.267 0.000 0.893 660 L HN 0.667 nan 8.230 nan 0.000 0.434 661 T N -3.330 111.128 114.554 -0.160 0.000 3.107 661 T HA 0.221 4.597 4.350 0.043 0.000 0.249 661 T C 0.322 175.112 174.700 0.150 0.000 1.096 661 T CA 0.140 62.215 62.100 -0.042 0.000 1.012 661 T CB -0.316 68.622 68.868 0.117 0.000 0.977 661 T HN 0.151 nan 8.240 nan 0.000 0.527 662 V N -2.724 117.241 119.914 0.086 0.000 3.074 662 V HA 0.570 4.716 4.120 0.043 0.000 0.314 662 V C -0.131 176.012 176.094 0.081 0.000 1.117 662 V CA -0.981 61.397 62.300 0.130 0.000 1.014 662 V CB 2.175 34.091 31.823 0.156 0.000 1.057 662 V HN 0.003 nan 8.190 nan 0.000 0.438 663 D N 1.110 121.560 120.400 0.084 0.000 2.346 663 D HA 0.474 5.140 4.640 0.043 0.000 0.206 663 D C 0.572 176.860 176.300 -0.021 0.000 1.001 663 D CA 1.526 55.548 54.000 0.037 0.000 0.871 663 D CB 1.432 42.274 40.800 0.070 0.000 0.943 663 D HN 1.001 nan 8.370 nan 0.000 0.518 664 A N 0.074 122.898 122.820 0.007 0.000 2.586 664 A HA 0.515 4.861 4.320 0.043 0.000 0.291 664 A C -1.577 176.025 177.584 0.029 0.000 1.062 664 A CA -0.585 51.442 52.037 -0.017 0.000 0.666 664 A CB 1.393 20.368 19.000 -0.042 0.000 1.281 664 A HN -0.103 nan 8.150 nan 0.000 0.421 665 V N 1.101 121.026 119.914 0.017 0.000 2.656 665 V HA 0.622 4.768 4.120 0.043 0.000 0.307 665 V C -0.611 175.488 176.094 0.008 0.000 1.051 665 V CA -0.279 62.045 62.300 0.041 0.000 0.893 665 V CB 1.580 33.446 31.823 0.071 0.000 0.999 665 V HN 0.714 nan 8.190 nan 0.000 0.426 666 I N 3.738 124.320 120.570 0.020 0.000 2.509 666 I HA 0.581 4.777 4.170 0.043 0.000 0.293 666 I C -0.943 175.203 176.117 0.049 0.000 1.020 666 I CA -1.017 60.319 61.300 0.061 0.000 1.088 666 I CB 2.372 40.437 38.000 0.109 0.000 1.267 666 I HN 0.273 nan 8.210 nan 0.000 0.430 667 V N 6.963 126.926 119.914 0.082 0.000 2.326 667 V HA 0.345 4.491 4.120 0.043 0.000 0.281 667 V C -2.130 174.027 176.094 0.104 0.000 1.015 667 V CA -1.523 60.813 62.300 0.059 0.000 0.823 667 V CB 1.301 33.134 31.823 0.017 0.000 1.009 667 V HN 0.570 nan 8.190 nan 0.000 0.436 668 P HA 0.410 nan 4.420 nan 0.000 0.276 668 P C -0.146 177.177 177.300 0.039 0.000 1.261 668 P CA -0.211 62.911 63.100 0.037 0.000 0.800 668 P CB 1.177 32.890 31.700 0.021 0.000 1.066 669 A N -0.025 122.791 122.820 -0.006 0.000 2.292 669 A HA 0.641 4.987 4.320 0.043 0.000 0.265 669 A C 0.824 178.416 177.584 0.013 0.000 1.133 669 A CA 0.715 52.753 52.037 0.002 0.000 0.807 669 A CB -0.990 17.989 19.000 -0.035 0.000 1.102 669 A HN 0.885 nan 8.150 nan 0.000 0.502 670 G N -0.755 108.052 108.800 0.010 0.000 2.240 670 G HA2 -0.107 3.879 3.960 0.043 0.000 0.199 670 G HA3 -0.107 3.879 3.960 0.043 0.000 0.199 670 G C -0.147 174.763 174.900 0.016 0.000 1.342 670 G CA -0.057 45.050 45.100 0.010 0.000 1.145 670 G HN 1.037 nan 8.290 nan 0.000 0.477 671 N N 1.570 120.286 118.700 0.026 0.000 3.103 671 N HA 0.096 4.862 4.740 0.043 0.000 0.305 671 N C 1.503 177.043 175.510 0.050 0.000 1.232 671 N CA -0.528 52.540 53.050 0.030 0.000 1.190 671 N CB -0.241 38.267 38.487 0.035 0.000 1.461 671 N HN 0.373 nan 8.380 nan 0.000 0.538 672 I N 1.310 121.897 120.570 0.028 0.000 2.657 672 I HA -0.221 3.975 4.170 0.043 0.000 0.261 672 I C 2.260 178.370 176.117 -0.012 0.000 1.212 672 I CA 0.694 62.008 61.300 0.023 0.000 1.453 672 I CB -1.468 36.500 38.000 -0.054 0.000 1.092 672 I HN 0.422 nan 8.210 nan 0.000 0.452 673 A N 0.435 123.248 122.820 -0.012 0.000 2.014 673 A HA -0.211 4.135 4.320 0.043 0.000 0.218 673 A C 2.070 179.669 177.584 0.024 0.000 1.163 673 A CA 1.453 53.478 52.037 -0.021 0.000 0.652 673 A CB -0.521 18.468 19.000 -0.019 0.000 0.808 673 A HN 0.381 nan 8.150 nan 0.000 0.449 674 D N 0.863 121.305 120.400 0.070 0.000 2.133 674 D HA -0.199 4.467 4.640 0.043 0.000 0.192 674 D C 1.576 177.958 176.300 0.137 0.000 1.001 674 D CA 2.091 56.163 54.000 0.122 0.000 0.844 674 D CB -0.197 40.715 40.800 0.186 0.000 0.944 674 D HN 0.633 nan 8.370 nan 0.000 0.447 675 I N -3.889 116.780 120.570 0.166 0.000 4.139 675 I HA 0.460 4.656 4.170 0.043 0.000 0.335 675 I C 1.920 178.160 176.117 0.205 0.000 1.327 675 I CA 0.069 61.488 61.300 0.197 0.000 1.112 675 I CB 0.006 38.165 38.000 0.265 0.000 1.058 675 I HN -0.066 nan 8.210 nan 0.000 0.396 676 A N 1.556 124.420 122.820 0.073 0.000 2.024 676 A HA -0.169 4.177 4.320 0.043 0.000 0.220 676 A C 1.386 178.963 177.584 -0.011 0.000 1.164 676 A CA 2.020 53.982 52.037 -0.124 0.000 0.643 676 A CB -0.457 18.364 19.000 -0.299 0.000 0.806 676 A HN 0.518 nan 8.150 nan 0.000 0.451 677 D N -0.944 119.471 120.400 0.024 0.000 2.440 677 D HA 0.057 4.723 4.640 0.043 0.000 0.216 677 D C -0.105 176.222 176.300 0.045 0.000 1.150 677 D CA -0.234 53.781 54.000 0.026 0.000 0.832 677 D CB -0.179 40.624 40.800 0.006 0.000 0.992 677 D HN 0.309 nan 8.370 nan 0.000 0.502 678 N N 1.000 119.740 118.700 0.067 0.000 2.442 678 N HA 0.049 4.815 4.740 0.043 0.000 0.265 678 N C 1.376 176.915 175.510 0.049 0.000 1.138 678 N CA 0.104 53.188 53.050 0.057 0.000 0.956 678 N CB 1.528 40.054 38.487 0.065 0.000 1.067 678 N HN 0.036 nan 8.380 nan 0.000 0.474 679 G N 3.275 112.104 108.800 0.048 0.000 2.421 679 G HA2 -0.250 3.736 3.960 0.043 0.000 0.216 679 G HA3 -0.250 3.736 3.960 0.043 0.000 0.216 679 G C 0.966 175.910 174.900 0.075 0.000 1.171 679 G CA 0.535 45.666 45.100 0.052 0.000 0.775 679 G HN 0.602 nan 8.290 nan 0.000 0.543 680 D N 1.037 121.486 120.400 0.082 0.000 2.097 680 D HA -0.039 4.627 4.640 0.043 0.000 0.195 680 D C 2.855 179.144 176.300 -0.018 0.000 0.989 680 D CA 1.308 55.389 54.000 0.135 0.000 0.827 680 D CB -0.574 40.375 40.800 0.248 0.000 0.966 680 D HN 0.288 nan 8.370 nan 0.000 0.456 681 A N 1.263 123.888 122.820 -0.324 0.000 1.883 681 A HA -0.218 4.127 4.320 0.043 0.000 0.217 681 A C 2.027 179.386 177.584 -0.375 0.000 1.186 681 A CA 1.462 53.062 52.037 -0.728 0.000 0.624 681 A CB -0.574 17.918 19.000 -0.848 0.000 0.822 681 A HN 0.168 nan 8.150 nan 0.000 0.444 682 N N -1.509 117.124 118.700 -0.111 0.000 2.069 682 N HA -0.202 4.564 4.740 0.043 0.000 0.191 682 N C 1.720 177.217 175.510 -0.022 0.000 1.031 682 N CA 1.899 54.941 53.050 -0.012 0.000 0.852 682 N CB -0.501 38.052 38.487 0.111 0.000 1.018 682 N HN 0.692 nan 8.380 nan 0.000 0.423 683 Y N 0.498 120.761 120.300 -0.063 0.000 2.274 683 Y HA -0.260 4.315 4.550 0.043 0.000 0.290 683 Y C 2.374 178.226 175.900 -0.080 0.000 1.145 683 Y CA 1.163 59.225 58.100 -0.063 0.000 1.203 683 Y CB -0.319 38.113 38.460 -0.047 0.000 0.984 683 Y HN 0.055 nan 8.280 nan 0.000 0.533 684 Y N -0.190 119.971 120.300 -0.231 0.000 2.128 684 Y HA -0.311 4.265 4.550 0.043 0.000 0.284 684 Y C 2.044 177.743 175.900 -0.335 0.000 1.154 684 Y CA 1.708 59.645 58.100 -0.273 0.000 1.149 684 Y CB -0.323 37.983 38.460 -0.256 0.000 0.976 684 Y HN 0.103 nan 8.280 nan 0.000 0.505 685 L N -0.640 120.502 121.223 -0.135 0.000 2.109 685 L HA -0.210 4.156 4.340 0.043 0.000 0.207 685 L C 2.299 179.051 176.870 -0.197 0.000 1.086 685 L CA 1.592 56.339 54.840 -0.155 0.000 0.760 685 L CB -1.444 40.491 42.059 -0.208 0.000 0.910 685 L HN 0.397 nan 8.230 nan 0.000 0.437 686 M N -0.513 118.923 119.600 -0.273 0.000 2.082 686 M HA -0.267 4.239 4.480 0.043 0.000 0.258 686 M C 2.186 178.235 176.300 -0.418 0.000 1.069 686 M CA 1.824 56.947 55.300 -0.294 0.000 1.102 686 M CB -0.466 31.968 32.600 -0.278 0.000 1.336 686 M HN 0.258 nan 8.290 nan 0.000 0.404 687 E N 0.444 120.199 120.200 -0.742 0.000 2.031 687 E HA -0.196 4.180 4.350 0.043 0.000 0.193 687 E C 2.029 178.252 176.600 -0.627 0.000 0.994 687 E CA 1.382 57.297 56.400 -0.808 0.000 0.800 687 E CB -0.030 29.138 29.700 -0.887 0.000 0.752 687 E HN 0.469 nan 8.360 nan 0.000 0.447 688 A N 0.308 122.876 122.820 -0.419 0.000 1.908 688 A HA -0.228 4.118 4.320 0.043 0.000 0.218 688 A C 2.074 179.545 177.584 -0.187 0.000 1.181 688 A CA 1.646 53.535 52.037 -0.246 0.000 0.627 688 A CB -1.007 17.910 19.000 -0.139 0.000 0.818 688 A HN 0.582 nan 8.150 nan 0.000 0.445 689 Y N 0.486 120.622 120.300 -0.273 0.000 2.145 689 Y HA -0.213 4.363 4.550 0.043 0.000 0.286 689 Y C 2.409 178.180 175.900 -0.215 0.000 1.145 689 Y CA 2.350 60.322 58.100 -0.213 0.000 1.148 689 Y CB -0.213 38.141 38.460 -0.177 0.000 0.981 689 Y HN 0.324 nan 8.280 nan 0.000 0.507 690 K N -0.606 119.673 120.400 -0.202 0.000 2.103 690 K HA -0.227 4.119 4.320 0.043 0.000 0.207 690 K C 1.149 177.636 176.600 -0.190 0.000 1.048 690 K CA 2.042 58.184 56.287 -0.242 0.000 0.930 690 K CB -0.435 31.873 32.500 -0.320 0.000 0.716 690 K HN 0.586 nan 8.250 nan 0.000 0.444 691 H N 0.310 119.265 119.070 -0.192 0.000 2.536 691 H HA 0.166 4.748 4.556 0.043 0.000 0.276 691 H C 0.007 175.175 175.328 -0.266 0.000 1.019 691 H CA 0.209 56.140 56.048 -0.195 0.000 1.159 691 H CB 0.085 29.730 29.762 -0.195 0.000 1.373 691 H HN 0.127 nan 8.280 nan 0.000 0.584 692 L N -0.060 121.010 121.223 -0.256 0.000 4.140 692 L HA -0.266 4.100 4.340 0.043 0.000 0.406 692 L C -0.328 176.274 176.870 -0.447 0.000 1.175 692 L CA 0.576 55.168 54.840 -0.412 0.000 0.939 692 L CB -1.666 40.114 42.059 -0.466 0.000 2.105 692 L HN 0.305 nan 8.230 nan 0.000 0.803 693 K N 0.736 120.943 120.400 -0.322 0.000 2.118 693 K HA 0.500 4.846 4.320 0.043 0.000 0.267 693 K C -2.160 174.301 176.600 -0.231 0.000 0.991 693 K CA -1.814 54.307 56.287 -0.277 0.000 0.916 693 K CB 0.862 33.255 32.500 -0.179 0.000 1.041 693 K HN -0.234 nan 8.250 nan 0.000 0.455 694 P HA 0.046 nan 4.420 nan 0.000 0.266 694 P C -0.755 176.478 177.300 -0.112 0.000 1.195 694 P CA 0.426 63.424 63.100 -0.170 0.000 0.768 694 P CB 0.440 32.041 31.700 -0.164 0.000 0.838 695 I N 1.758 122.277 120.570 -0.086 0.000 2.545 695 I HA 0.616 4.812 4.170 0.043 0.000 0.292 695 I C -0.275 175.796 176.117 -0.076 0.000 1.040 695 I CA -0.897 60.373 61.300 -0.051 0.000 1.068 695 I CB 2.204 40.204 38.000 -0.000 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.649 130.429 122.820 -0.067 0.000 2.330 696 A HA 0.881 5.227 4.320 0.043 0.000 0.313 696 A C -1.083 176.597 177.584 0.160 0.000 1.124 696 A CA -0.434 51.550 52.037 -0.088 0.000 0.774 696 A CB 0.979 19.754 19.000 -0.374 0.000 1.198 696 A HN 0.667 nan 8.150 nan 0.000 0.465 697 L N 2.131 123.512 121.223 0.264 0.000 2.381 697 L HA 0.749 5.115 4.340 0.043 0.000 0.274 697 L C 0.205 177.268 176.870 0.322 0.000 0.988 697 L CA -0.575 54.428 54.840 0.270 0.000 0.824 697 L CB 2.042 44.208 42.059 0.179 0.000 1.263 697 L HN 0.772 nan 8.230 nan 0.000 0.410 698 A N 2.187 125.101 122.820 0.156 0.000 2.330 698 A HA 0.871 5.217 4.320 0.043 0.000 0.327 698 A C 0.581 178.142 177.584 -0.038 0.000 1.155 698 A CA 0.250 52.241 52.037 -0.076 0.000 0.803 698 A CB 1.257 20.002 19.000 -0.425 0.000 1.208 698 A HN 1.000 nan 8.150 nan 0.000 0.477 699 G N 1.829 110.599 108.800 -0.051 0.000 2.591 699 G HA2 -0.332 3.654 3.960 0.043 0.000 0.298 699 G HA3 -0.332 3.654 3.960 0.043 0.000 0.298 699 G C 0.595 175.491 174.900 -0.006 0.000 1.195 699 G CA 0.794 45.874 45.100 -0.034 0.000 0.989 699 G HN 0.690 nan 8.290 nan 0.000 0.551 700 D N 1.233 121.626 120.400 -0.012 0.000 2.263 700 D HA 0.110 4.776 4.640 0.043 0.000 0.208 700 D C 2.719 179.016 176.300 -0.004 0.000 0.971 700 D CA 1.681 55.669 54.000 -0.020 0.000 0.867 700 D CB -0.726 40.055 40.800 -0.031 0.000 0.929 700 D HN 0.814 nan 8.370 nan 0.000 0.492 701 A N 0.968 123.826 122.820 0.064 0.000 2.084 701 A HA -0.243 4.103 4.320 0.043 0.000 0.221 701 A C 2.070 179.766 177.584 0.187 0.000 1.161 701 A CA 1.124 53.278 52.037 0.194 0.000 0.653 701 A CB -0.552 18.576 19.000 0.213 0.000 0.802 701 A HN 0.183 nan 8.150 nan 0.000 0.457 702 R N -0.306 120.249 120.500 0.091 0.000 2.200 702 R HA -0.130 4.236 4.340 0.043 0.000 0.234 702 R C 1.913 178.218 176.300 0.008 0.000 1.127 702 R CA 1.277 57.413 56.100 0.061 0.000 0.989 702 R CB -0.227 30.097 30.300 0.039 0.000 0.869 702 R HN 0.519 nan 8.270 nan 0.000 0.459 703 K N -0.065 120.293 120.400 -0.070 0.000 2.127 703 K HA -0.186 4.160 4.320 0.043 0.000 0.208 703 K C 1.546 178.035 176.600 -0.184 0.000 1.047 703 K CA 1.504 57.681 56.287 -0.182 0.000 0.927 703 K CB -0.205 32.099 32.500 -0.327 0.000 0.716 703 K HN 0.232 nan 8.250 nan 0.000 0.450 704 F N 1.252 121.178 119.950 -0.040 0.000 2.699 704 F HA -0.065 4.488 4.527 0.044 0.000 0.298 704 F C 2.053 177.807 175.800 -0.077 0.000 1.154 704 F CA 0.643 58.608 58.000 -0.058 0.000 1.457 704 F CB -0.002 38.962 39.000 -0.059 0.000 1.106 704 F HN -0.047 nan 8.300 nan 0.000 0.585 705 K N 0.340 120.787 120.400 0.078 0.000 2.152 705 K HA -0.186 4.160 4.320 0.043 0.000 0.206 705 K C 2.341 178.918 176.600 -0.038 0.000 1.048 705 K CA 1.025 57.311 56.287 -0.000 0.000 0.933 705 K CB -0.299 32.197 32.500 -0.006 0.000 0.721 705 K HN 0.268 nan 8.250 nan 0.000 0.447 706 A N 0.418 123.220 122.820 -0.030 0.000 1.883 706 A HA -0.205 4.141 4.320 0.043 0.000 0.217 706 A C 2.240 179.799 177.584 -0.042 0.000 1.186 706 A CA 2.232 54.244 52.037 -0.042 0.000 0.624 706 A CB -1.050 17.922 19.000 -0.048 0.000 0.822 706 A HN 0.308 nan 8.150 nan 0.000 0.444 707 T N 0.024 114.573 114.554 -0.008 0.000 2.881 707 T HA -0.063 4.313 4.350 0.043 0.000 0.270 707 T C 1.292 175.940 174.700 -0.087 0.000 1.068 707 T CA 1.503 63.599 62.100 -0.007 0.000 1.131 707 T CB -0.589 68.327 68.868 0.079 0.000 0.871 707 T HN 0.619 nan 8.240 nan 0.000 0.479 708 I N -2.776 117.692 120.570 -0.170 0.000 3.927 708 I HA 0.500 4.696 4.170 0.043 0.000 0.332 708 I C 0.218 176.108 176.117 -0.378 0.000 1.485 708 I CA -0.578 60.494 61.300 -0.380 0.000 1.131 708 I CB -0.005 37.591 38.000 -0.674 0.000 1.092 708 I HN -0.083 nan 8.210 nan 0.000 0.410 709 K N 1.887 122.171 120.400 -0.193 0.000 3.096 709 K HA -0.098 4.248 4.320 0.043 0.000 0.266 709 K C -0.413 176.115 176.600 -0.119 0.000 1.043 709 K CA 0.465 56.675 56.287 -0.127 0.000 0.758 709 K CB -1.097 31.347 32.500 -0.093 0.000 1.260 709 K HN 0.429 nan 8.250 nan 0.000 0.481 710 I N 0.746 121.243 120.570 -0.122 0.000 2.395 710 I HA 0.300 4.496 4.170 0.043 0.000 0.289 710 I C 1.391 177.486 176.117 -0.038 0.000 1.023 710 I CA -0.564 60.690 61.300 -0.075 0.000 1.350 710 I CB 0.645 38.603 38.000 -0.070 0.000 1.409 710 I HN 0.264 nan 8.210 nan 0.000 0.507 711 A N 4.984 127.793 122.820 -0.018 0.000 2.346 711 A HA 0.158 4.504 4.320 0.043 0.000 0.252 711 A C 0.974 178.554 177.584 -0.006 0.000 1.089 711 A CA -0.227 51.804 52.037 -0.010 0.000 0.797 711 A CB 0.178 19.176 19.000 -0.003 0.000 1.047 711 A HN 0.745 nan 8.150 nan 0.000 0.494 712 D N 0.006 120.402 120.400 -0.005 0.000 2.144 712 D HA -0.168 4.498 4.640 0.043 0.000 0.199 712 D C 2.017 178.318 176.300 0.002 0.000 0.984 712 D CA 1.808 55.806 54.000 -0.003 0.000 0.834 712 D CB -0.157 40.641 40.800 -0.004 0.000 0.955 712 D HN 0.769 nan 8.370 nan 0.000 0.465 713 Q N 0.817 120.619 119.800 0.003 0.000 2.541 713 Q HA 0.067 4.433 4.340 0.043 0.000 0.215 713 Q C 0.808 176.813 176.000 0.008 0.000 0.977 713 Q CA 0.971 56.777 55.803 0.006 0.000 0.934 713 Q CB -0.173 28.568 28.738 0.005 0.000 0.988 713 Q HN 0.116 nan 8.270 nan 0.000 0.521 714 G N 1.394 110.199 108.800 0.008 0.000 2.795 714 G HA2 -0.244 3.742 3.960 0.043 0.000 0.664 714 G HA3 -0.244 3.742 3.960 0.043 0.000 0.664 714 G C -1.068 173.839 174.900 0.011 0.000 1.381 714 G CA -0.172 44.935 45.100 0.011 0.000 0.853 714 G HN 0.653 nan 8.290 nan 0.000 0.545 715 E N -0.682 119.527 120.200 0.015 0.000 2.383 715 E HA 0.597 4.973 4.350 0.043 0.000 0.275 715 E C -0.681 175.919 176.600 0.001 0.000 0.918 715 E CA -1.136 55.273 56.400 0.016 0.000 0.764 715 E CB 1.650 31.373 29.700 0.039 0.000 1.252 715 E HN 0.400 nan 8.360 nan 0.000 0.449 716 E N 0.822 121.014 120.200 -0.014 0.000 2.480 716 E HA 0.171 4.547 4.350 0.043 0.000 0.258 716 E C 0.837 177.400 176.600 -0.061 0.000 0.984 716 E CA 1.602 57.979 56.400 -0.039 0.000 0.930 716 E CB 0.903 30.577 29.700 -0.043 0.000 0.936 716 E HN 0.940 nan 8.360 nan 0.000 0.466 717 G N 3.002 111.753 108.800 -0.082 0.000 2.179 717 G HA2 -0.195 3.791 3.960 0.043 0.000 0.220 717 G HA3 -0.195 3.791 3.960 0.043 0.000 0.220 717 G C 0.127 174.980 174.900 -0.078 0.000 0.990 717 G CA -0.339 44.691 45.100 -0.116 0.000 0.646 717 G HN 0.408 nan 8.290 nan 0.000 0.517 718 I N 1.992 122.539 120.570 -0.038 0.000 2.411 718 I HA 0.438 4.634 4.170 0.043 0.000 0.284 718 I C 0.406 176.494 176.117 -0.049 0.000 1.012 718 I CA -1.074 60.213 61.300 -0.021 0.000 1.119 718 I CB 1.356 39.373 38.000 0.029 0.000 1.261 718 I HN -0.113 nan 8.210 nan 0.000 0.448 719 V N 7.389 127.237 119.914 -0.109 0.000 2.498 719 V HA 0.371 4.517 4.120 0.043 0.000 0.279 719 V C 0.282 176.350 176.094 -0.043 0.000 1.048 719 V CA -0.328 61.873 62.300 -0.164 0.000 0.967 719 V CB 1.219 32.792 31.823 -0.417 0.000 0.988 719 V HN 0.869 nan 8.190 nan 0.000 0.473 720 E N 4.192 124.444 120.200 0.087 0.000 2.372 720 E HA 0.875 5.251 4.350 0.043 0.000 0.279 720 E C -1.019 175.736 176.600 0.258 0.000 0.946 720 E CA -0.967 55.572 56.400 0.231 0.000 0.769 720 E CB 2.540 32.315 29.700 0.124 0.000 1.230 720 E HN 0.819 nan 8.360 nan 0.000 0.442 721 A N 1.675 124.645 122.820 0.250 0.000 2.540 721 A HA 0.319 4.665 4.320 0.043 0.000 0.291 721 A C -0.466 177.123 177.584 0.008 0.000 1.083 721 A CA -0.543 51.568 52.037 0.123 0.000 0.650 721 A CB 1.025 20.127 19.000 0.170 0.000 1.292 721 A HN 0.620 nan 8.150 nan 0.000 0.435 722 D N 0.461 120.849 120.400 -0.021 0.000 2.178 722 D HA -0.002 4.664 4.640 0.043 0.000 0.201 722 D C 1.041 177.274 176.300 -0.112 0.000 0.980 722 D CA 2.348 56.317 54.000 -0.051 0.000 0.842 722 D CB 0.053 40.831 40.800 -0.036 0.000 0.948 722 D HN 0.798 nan 8.370 nan 0.000 0.472 723 S N -1.746 113.848 115.700 -0.178 0.000 2.618 723 S HA 0.635 5.131 4.470 0.043 0.000 0.277 723 S C -0.168 174.118 174.600 -0.524 0.000 1.138 723 S CA -0.567 57.475 58.200 -0.263 0.000 0.844 723 S CB 2.176 65.282 63.200 -0.157 0.000 1.127 723 S HN -0.027 nan 8.310 nan 0.000 0.474 724 A N 0.825 123.287 122.820 -0.597 0.000 2.543 724 A HA 0.455 4.801 4.320 0.043 0.000 0.258 724 A C 0.231 177.658 177.584 -0.262 0.000 1.391 724 A CA 0.153 51.692 52.037 -0.830 0.000 1.066 724 A CB -1.116 17.538 19.000 -0.576 0.000 0.972 724 A HN 0.778 nan 8.150 nan 0.000 0.560 725 D N -2.227 118.087 120.400 -0.142 0.000 4.269 725 D HA 0.434 5.100 4.640 0.043 0.000 0.211 725 D C 1.469 177.804 176.300 0.057 0.000 1.635 725 D CA 0.982 54.997 54.000 0.026 0.000 1.197 725 D CB -0.422 40.407 40.800 0.047 0.000 1.592 725 D HN 0.490 nan 8.370 nan 0.000 0.558 726 G N 0.612 109.436 108.800 0.039 0.000 2.690 726 G HA2 -0.324 3.662 3.960 0.043 0.000 0.334 726 G HA3 -0.324 3.662 3.960 0.043 0.000 0.334 726 G C 0.773 175.719 174.900 0.077 0.000 1.250 726 G CA 2.133 47.261 45.100 0.047 0.000 0.994 726 G HN 1.002 nan 8.290 nan 0.000 0.549 727 S N 0.144 115.897 115.700 0.088 0.000 2.622 727 S HA 0.447 4.943 4.470 0.043 0.000 0.236 727 S C 1.527 176.203 174.600 0.127 0.000 0.956 727 S CA 0.826 59.077 58.200 0.085 0.000 0.971 727 S CB 0.051 63.281 63.200 0.050 0.000 0.782 727 S HN 0.903 nan 8.310 nan 0.000 0.468 728 F N 2.198 122.146 119.950 -0.003 0.000 2.146 728 F HA 0.056 4.609 4.527 0.043 0.000 0.298 728 F C 2.071 177.868 175.800 -0.005 0.000 1.096 728 F CA 1.358 59.356 58.000 -0.003 0.000 1.275 728 F CB -0.152 38.848 39.000 -0.001 0.000 1.008 728 F HN 0.192 nan 8.300 nan 0.000 0.480 729 M N 0.220 119.950 119.600 0.217 0.000 2.200 729 M HA -0.131 4.375 4.480 0.043 0.000 0.265 729 M C 1.759 178.053 176.300 -0.011 0.000 1.066 729 M CA 1.161 56.506 55.300 0.075 0.000 1.127 729 M CB -1.309 31.373 32.600 0.137 0.000 1.379 729 M HN 0.118 nan 8.290 nan 0.000 0.420 730 D N 0.697 121.104 120.400 0.012 0.000 2.133 730 D HA -0.184 4.482 4.640 0.043 0.000 0.195 730 D C 1.920 178.192 176.300 -0.046 0.000 0.997 730 D CA 1.318 55.312 54.000 -0.010 0.000 0.840 730 D CB -0.169 40.635 40.800 0.006 0.000 0.947 730 D HN 0.491 nan 8.370 nan 0.000 0.452 731 E N 0.089 120.245 120.200 -0.073 0.000 2.106 731 E HA -0.091 4.285 4.350 0.043 0.000 0.192 731 E C 2.121 178.633 176.600 -0.147 0.000 0.984 731 E CA 0.075 56.413 56.400 -0.104 0.000 0.806 731 E CB 0.018 29.644 29.700 -0.123 0.000 0.750 731 E HN 0.151 nan 8.360 nan 0.000 0.458 732 L N 0.916 122.013 121.223 -0.209 0.000 2.056 732 L HA -0.150 4.216 4.340 0.043 0.000 0.207 732 L C 2.021 178.815 176.870 -0.126 0.000 1.078 732 L CA 1.232 55.944 54.840 -0.214 0.000 0.749 732 L CB -0.333 41.548 42.059 -0.296 0.000 0.901 732 L HN 0.229 nan 8.230 nan 0.000 0.433 733 L N -0.048 121.121 121.223 -0.090 0.000 2.083 733 L HA -0.166 4.200 4.340 0.043 0.000 0.209 733 L C 2.628 179.470 176.870 -0.047 0.000 1.083 733 L CA 1.703 56.510 54.840 -0.055 0.000 0.752 733 L CB -1.823 40.216 42.059 -0.034 0.000 0.899 733 L HN 0.258 nan 8.230 nan 0.000 0.433 734 T N -0.012 114.511 114.554 -0.051 0.000 2.746 734 T HA -0.157 4.219 4.350 0.043 0.000 0.267 734 T C 2.114 176.782 174.700 -0.053 0.000 1.039 734 T CA 1.082 63.158 62.100 -0.040 0.000 1.142 734 T CB -0.167 68.679 68.868 -0.038 0.000 0.866 734 T HN 0.200 nan 8.240 nan 0.000 0.444 735 L N 0.211 121.383 121.223 -0.085 0.000 2.056 735 L HA -0.049 4.317 4.340 0.043 0.000 0.207 735 L C 2.701 179.505 176.870 -0.110 0.000 1.078 735 L CA 1.245 56.016 54.840 -0.115 0.000 0.749 735 L CB -0.553 41.417 42.059 -0.149 0.000 0.901 735 L HN 0.289 nan 8.230 nan 0.000 0.433 736 M N -0.540 119.009 119.600 -0.084 0.000 2.149 736 M HA -0.202 4.304 4.480 0.043 0.000 0.261 736 M C 2.504 178.808 176.300 0.007 0.000 1.064 736 M CA 1.805 57.077 55.300 -0.047 0.000 1.102 736 M CB -0.578 32.003 32.600 -0.031 0.000 1.369 736 M HN 0.329 nan 8.290 nan 0.000 0.408 737 A N 0.350 123.174 122.820 0.006 0.000 1.978 737 A HA -0.020 4.326 4.320 0.043 0.000 0.220 737 A C 2.153 179.783 177.584 0.077 0.000 1.170 737 A CA 1.829 53.891 52.037 0.041 0.000 0.636 737 A CB -0.699 18.318 19.000 0.028 0.000 0.810 737 A HN 0.525 nan 8.150 nan 0.000 0.448 738 A N -2.781 120.064 122.820 0.041 0.000 2.307 738 A HA 0.367 4.713 4.320 0.043 0.000 0.218 738 A C 0.905 178.529 177.584 0.067 0.000 1.228 738 A CA 1.211 53.290 52.037 0.069 0.000 0.857 738 A CB -0.493 18.508 19.000 0.002 0.000 0.897 738 A HN 0.973 nan 8.150 nan 0.000 0.495 739 H N -1.220 117.811 119.070 -0.065 0.000 4.884 739 H HA -0.190 4.392 4.556 0.043 0.000 0.061 739 H C 0.075 175.213 175.328 -0.317 0.000 0.590 739 H CA 2.412 58.411 56.048 -0.083 0.000 0.961 739 H CB -0.574 29.255 29.762 0.112 0.000 0.443 739 H HN 0.463 nan 8.280 nan 0.000 0.794 740 R N -0.407 119.558 120.500 -0.893 0.000 2.836 740 R HA 0.621 4.987 4.340 0.043 0.000 0.269 740 R C -0.725 174.720 176.300 -1.424 0.000 1.010 740 R CA -0.280 55.042 56.100 -1.297 0.000 0.930 740 R CB 1.751 30.933 30.300 -1.864 0.000 1.218 740 R HN 0.070 nan 8.270 nan 0.000 0.473 741 V N 2.292 121.566 119.914 -1.068 0.000 2.218 741 V HA 0.121 4.267 4.120 0.043 0.000 0.261 741 V C 0.624 176.295 176.094 -0.705 0.000 1.142 741 V CA -0.500 61.357 62.300 -0.739 0.000 0.965 741 V CB -0.186 31.361 31.823 -0.460 0.000 1.190 741 V HN 0.717 nan 8.190 nan 0.000 0.478 742 W N 1.595 122.596 121.300 -0.499 0.000 2.374 742 W HA -0.189 4.496 4.660 0.043 0.000 0.288 742 W C 2.580 178.878 176.519 -0.369 0.000 1.218 742 W CA 1.026 57.985 57.345 -0.644 0.000 1.245 742 W CB -0.538 28.074 29.460 -1.412 0.000 1.126 742 W HN 0.645 nan 8.180 nan 0.000 0.545 743 S N 0.839 116.469 115.700 -0.118 0.000 2.465 743 S HA -0.226 4.270 4.470 0.043 0.000 0.241 743 S C 1.739 176.292 174.600 -0.078 0.000 1.000 743 S CA 1.242 59.403 58.200 -0.064 0.000 0.964 743 S CB -0.510 62.652 63.200 -0.064 0.000 0.763 743 S HN 0.443 nan 8.310 nan 0.000 0.512 744 R N 0.629 121.039 120.500 -0.150 0.000 2.240 744 R HA 0.238 4.604 4.340 0.043 0.000 0.203 744 R C 1.906 178.134 176.300 -0.120 0.000 1.011 744 R CA 0.509 56.504 56.100 -0.176 0.000 1.007 744 R CB -0.342 29.741 30.300 -0.362 0.000 0.911 744 R HN 0.488 nan 8.270 nan 0.000 0.468 745 I N 2.122 122.658 120.570 -0.058 0.000 2.118 745 I HA -0.241 3.955 4.170 0.043 0.000 0.241 745 I C -0.737 175.402 176.117 0.037 0.000 1.070 745 I CA 1.351 62.662 61.300 0.019 0.000 1.327 745 I CB -1.049 37.013 38.000 0.103 0.000 1.034 745 I HN 0.180 nan 8.210 nan 0.000 0.405 746 P HA -0.198 nan 4.420 nan 0.000 0.217 746 P C 1.131 178.460 177.300 0.049 0.000 1.148 746 P CA 1.659 64.788 63.100 0.048 0.000 0.828 746 P CB -0.157 31.569 31.700 0.043 0.000 0.783 747 K N -0.336 120.090 120.400 0.042 0.000 2.296 747 K HA 0.025 4.371 4.320 0.043 0.000 0.200 747 K C 2.214 178.879 176.600 0.109 0.000 1.048 747 K CA 0.774 57.110 56.287 0.082 0.000 0.966 747 K CB -0.509 32.069 32.500 0.131 0.000 0.754 747 K HN 0.301 nan 8.250 nan 0.000 0.466 748 I N -0.815 119.790 120.570 0.058 0.000 2.315 748 I HA -0.171 4.025 4.170 0.043 0.000 0.248 748 I C 0.953 177.118 176.117 0.080 0.000 1.117 748 I CA 1.437 62.777 61.300 0.068 0.000 1.404 748 I CB -0.235 37.762 38.000 -0.006 0.000 1.071 748 I HN -0.105 nan 8.210 nan 0.000 0.419 749 D N 1.729 122.174 120.400 0.075 0.000 2.265 749 D HA -0.161 4.505 4.640 0.043 0.000 0.208 749 D C 1.936 178.276 176.300 0.067 0.000 0.977 749 D CA 1.142 55.187 54.000 0.074 0.000 0.871 749 D CB -0.142 40.703 40.800 0.075 0.000 0.925 749 D HN 0.322 nan 8.370 nan 0.000 0.485 750 K N 0.194 120.635 120.400 0.068 0.000 2.228 750 K HA 0.153 4.499 4.320 0.043 0.000 0.202 750 K C 0.878 177.510 176.600 0.053 0.000 1.051 750 K CA -0.083 56.238 56.287 0.057 0.000 0.960 750 K CB 0.143 32.675 32.500 0.054 0.000 0.743 750 K HN 0.225 nan 8.250 nan 0.000 0.458 751 I N 2.888 123.497 120.570 0.066 0.000 2.371 751 I HA 0.178 4.374 4.170 0.043 0.000 0.290 751 I C -2.250 173.897 176.117 0.050 0.000 1.028 751 I CA -2.279 59.052 61.300 0.052 0.000 1.345 751 I CB 1.085 39.129 38.000 0.073 0.000 1.407 751 I HN -0.017 nan 8.210 nan 0.000 0.501 752 P HA 0.366 nan 4.420 nan 0.000 0.256 752 P C -0.967 176.390 177.300 0.095 0.000 1.689 752 P CA -0.081 63.055 63.100 0.060 0.000 1.124 752 P CB 0.575 32.304 31.700 0.048 0.000 1.766 753 A N 0.000 122.880 122.820 0.100 0.000 2.254 753 A HA 0.000 4.346 4.320 0.043 0.000 0.244 753 A CA 0.000 52.141 52.037 0.172 0.000 0.836 753 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486