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 1ez0_1_C DATA FIRST_RESID 7 DATA SEQUENCE NVFYATNAFT GEALPLAFPV HTEVEVNQAA TAAAKVARDF RRLNNSKRAS DATA SEQUENCE LLRTIASELE ARSDDIIARA HLETALPEVR LTGEIARTAN QLRLFADVVN DATA SEQUENCE SGSYHQAILD TPNPTRAPLP KPDIRRQQIA LGPVAVFGAS NFPLAFSAAG DATA SEQUENCE GDTASALAAG CPVIVKGHTA HPGTSQIVAE CIEQALKQEQ LPQAIFTLLQ DATA SEQUENCE GNQRALGQAL VSHPEIKAVG FTGSVGGGRA LFNLAHERPE PIPFYGELGA DATA SEQUENCE INPTFIFPSA MRAKADLADQ FVASMTMGCG QFCTKPGVVF ALNTPETQAF DATA SEQUENCE IETAQSLIRQ QSPSTLLTPG IRDSYQSQVV SRGSDDGIDV TFSQAESPCV DATA SEQUENCE ASALFVTSSE NWRKHPAWEE EIFGPQSLIV VCENVADMLS LSEMLAGSLT DATA SEQUENCE ATIHATEEDY PQVSQLIPRL EEIAGRLVFN GWPTGVEVGY AMVHGGPYPA DATA SEQUENCE STHSASTSVG AEAIHRWLRP VAYQALPESL LPDSLKAENP LEIARAVDGK DATA SEQUENCE AA 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.536 175.510 0.043 0.000 1.280 7 N CA 0.000 53.075 53.050 0.042 0.000 0.885 7 N CB 0.000 38.512 38.487 0.041 0.000 1.341 8 V N 0.037 119.980 119.914 0.048 0.000 3.167 8 V HA 0.922 4.909 4.120 -0.222 0.000 0.310 8 V C -1.021 175.141 176.094 0.113 0.000 1.207 8 V CA -0.667 61.643 62.300 0.018 0.000 1.059 8 V CB 1.772 33.498 31.823 -0.160 0.000 1.079 8 V HN 0.479 nan 8.190 nan 0.000 0.446 9 F N -0.817 119.019 119.950 -0.191 0.000 2.662 9 F HA 0.913 5.306 4.527 -0.224 0.000 0.312 9 F C -1.923 173.754 175.800 -0.205 0.000 1.113 9 F CA -1.468 56.479 58.000 -0.088 0.000 0.951 9 F CB 1.345 40.354 39.000 0.015 0.000 1.344 9 F HN 0.582 nan 8.300 nan 0.000 0.462 10 Y N 1.218 121.558 120.300 0.067 0.000 2.524 10 Y HA 0.772 5.188 4.550 -0.223 0.000 0.344 10 Y C 0.363 176.322 175.900 0.098 0.000 1.012 10 Y CA -1.071 57.037 58.100 0.014 0.000 1.068 10 Y CB 1.806 40.294 38.460 0.046 0.000 1.249 10 Y HN 1.005 nan 8.280 nan 0.000 0.468 11 A N 0.715 123.690 122.820 0.258 0.000 2.332 11 A HA 0.580 4.767 4.320 -0.222 0.000 0.258 11 A C -0.251 177.445 177.584 0.188 0.000 1.087 11 A CA -0.334 51.811 52.037 0.180 0.000 0.802 11 A CB 0.018 19.089 19.000 0.118 0.000 1.042 11 A HN 0.690 nan 8.150 nan 0.000 0.489 12 T N 2.382 117.019 114.554 0.140 0.000 2.795 12 T HA 0.201 4.418 4.350 -0.222 0.000 0.282 12 T C 0.331 175.069 174.700 0.064 0.000 0.980 12 T CA -0.498 61.663 62.100 0.102 0.000 1.012 12 T CB 0.407 69.327 68.868 0.086 0.000 0.936 12 T HN 0.669 nan 8.240 nan 0.000 0.457 13 N N 2.265 121.002 118.700 0.062 0.000 2.438 13 N HA 0.054 4.661 4.740 -0.222 0.000 0.267 13 N C 1.197 176.709 175.510 0.002 0.000 1.222 13 N CA -0.182 52.903 53.050 0.058 0.000 0.930 13 N CB 0.965 39.503 38.487 0.086 0.000 1.083 13 N HN 0.733 nan 8.380 nan 0.000 0.476 14 A N 4.304 127.062 122.820 -0.103 0.000 2.019 14 A HA -0.115 4.072 4.320 -0.222 0.000 0.219 14 A C 1.416 178.796 177.584 -0.340 0.000 1.164 14 A CA 1.081 52.954 52.037 -0.273 0.000 0.644 14 A CB -0.412 18.307 19.000 -0.468 0.000 0.805 14 A HN 0.704 nan 8.150 nan 0.000 0.449 15 F N -0.345 119.570 119.950 -0.058 0.000 2.473 15 F HA 0.028 4.422 4.527 -0.222 0.000 0.294 15 F C 2.597 178.381 175.800 -0.026 0.000 1.103 15 F CA 1.509 59.480 58.000 -0.049 0.000 1.442 15 F CB -0.045 38.916 39.000 -0.065 0.000 1.097 15 F HN 0.326 nan 8.300 nan 0.000 0.547 16 T N -4.886 109.757 114.554 0.148 0.000 2.955 16 T HA 0.430 4.647 4.350 -0.222 0.000 0.251 16 T C 1.801 176.532 174.700 0.052 0.000 1.002 16 T CA 0.599 62.752 62.100 0.089 0.000 0.970 16 T CB 0.441 69.355 68.868 0.076 0.000 1.091 16 T HN 0.322 nan 8.240 nan 0.000 0.495 17 G N 1.272 110.097 108.800 0.042 0.000 2.176 17 G HA2 -0.197 3.630 3.960 -0.222 0.000 0.253 17 G HA3 -0.197 3.630 3.960 -0.222 0.000 0.253 17 G C -0.079 174.844 174.900 0.037 0.000 0.979 17 G CA 0.186 45.306 45.100 0.033 0.000 0.641 17 G HN 0.607 nan 8.290 nan 0.000 0.530 18 E N 0.166 120.389 120.200 0.038 0.000 2.280 18 E HA 0.649 4.866 4.350 -0.222 0.000 0.261 18 E C 0.725 177.346 176.600 0.035 0.000 1.088 18 E CA 0.127 56.543 56.400 0.026 0.000 0.915 18 E CB 1.240 30.950 29.700 0.016 0.000 1.141 18 E HN 0.701 nan 8.360 nan 0.000 0.433 19 A N 1.582 124.408 122.820 0.010 0.000 2.388 19 A HA 0.402 4.589 4.320 -0.222 0.000 0.257 19 A C 0.023 177.621 177.584 0.023 0.000 1.095 19 A CA -0.302 51.748 52.037 0.022 0.000 0.791 19 A CB 0.156 19.107 19.000 -0.083 0.000 1.029 19 A HN 0.473 nan 8.150 nan 0.000 0.489 20 L N 3.157 124.437 121.223 0.095 0.000 2.399 20 L HA 0.414 4.622 4.340 -0.222 0.000 0.265 20 L C -1.593 175.351 176.870 0.124 0.000 1.089 20 L CA -1.983 52.918 54.840 0.102 0.000 0.802 20 L CB 1.205 43.346 42.059 0.137 0.000 1.180 20 L HN 0.571 nan 8.230 nan 0.000 0.454 21 P HA 0.184 nan 4.420 nan 0.000 0.272 21 P C -0.945 176.410 177.300 0.092 0.000 1.240 21 P CA -0.234 62.914 63.100 0.080 0.000 0.791 21 P CB 0.801 32.522 31.700 0.035 0.000 0.978 22 L N -2.773 118.464 121.223 0.023 0.000 2.178 22 L HA -0.124 4.083 4.340 -0.222 0.000 0.544 22 L C -0.085 176.447 176.870 -0.563 0.000 1.001 22 L CA -0.272 54.412 54.840 -0.259 0.000 1.227 22 L CB -1.591 40.261 42.059 -0.345 0.000 1.826 22 L HN 0.636 nan 8.230 nan 0.000 0.953 23 A N 4.166 126.569 122.820 -0.695 0.000 2.304 23 A HA 0.914 5.101 4.320 -0.222 0.000 0.301 23 A C -0.788 176.115 177.584 -1.135 0.000 1.132 23 A CA -0.126 51.254 52.037 -1.095 0.000 0.819 23 A CB 0.567 19.087 19.000 -0.801 0.000 1.094 23 A HN 0.402 nan 8.150 nan 0.000 0.492 24 F N 1.647 121.178 119.950 -0.698 0.000 2.546 24 F HA 0.539 4.934 4.527 -0.220 0.000 0.320 24 F C -1.996 173.602 175.800 -0.337 0.000 1.076 24 F CA -2.313 55.370 58.000 -0.530 0.000 0.928 24 F CB 2.131 40.676 39.000 -0.758 0.000 1.189 24 F HN 0.357 nan 8.300 nan 0.000 0.465 25 P HA 0.121 nan 4.420 nan 0.000 0.274 25 P C -0.777 176.485 177.300 -0.063 0.000 1.231 25 P CA -0.172 62.861 63.100 -0.111 0.000 0.790 25 P CB 1.668 33.230 31.700 -0.230 0.000 0.951 26 V N 3.713 123.617 119.914 -0.016 0.000 2.259 26 V HA 0.162 4.149 4.120 -0.222 0.000 0.267 26 V C 0.656 176.749 176.094 -0.001 0.000 1.051 26 V CA -0.371 61.929 62.300 -0.001 0.000 0.830 26 V CB -1.193 30.649 31.823 0.033 0.000 1.080 26 V HN 0.547 nan 8.190 nan 0.000 0.467 27 H N 2.452 121.546 119.070 0.040 0.000 2.690 27 H HA 0.487 4.911 4.556 -0.221 0.000 0.365 27 H C 0.865 176.190 175.328 -0.005 0.000 1.142 27 H CA 0.324 56.378 56.048 0.010 0.000 1.417 27 H CB 1.239 30.998 29.762 -0.005 0.000 1.446 27 H HN 0.720 nan 8.280 nan 0.000 0.599 28 T N -2.191 112.446 114.554 0.137 0.000 2.645 28 T HA 0.110 4.327 4.350 -0.222 0.000 0.273 28 T C 1.163 175.887 174.700 0.040 0.000 0.960 28 T CA -0.936 61.204 62.100 0.066 0.000 1.051 28 T CB 1.224 70.122 68.868 0.051 0.000 1.366 28 T HN 0.716 nan 8.240 nan 0.000 0.536 29 E N -0.305 119.916 120.200 0.035 0.000 2.160 29 E HA -0.139 4.078 4.350 -0.222 0.000 0.195 29 E C 1.953 178.568 176.600 0.024 0.000 0.991 29 E CA 1.343 57.765 56.400 0.037 0.000 0.810 29 E CB -0.314 29.409 29.700 0.038 0.000 0.742 29 E HN 0.472 nan 8.360 nan 0.000 0.466 30 V N 0.929 120.852 119.914 0.014 0.000 2.295 30 V HA -0.255 3.733 4.120 -0.222 0.000 0.246 30 V C 2.001 178.071 176.094 -0.039 0.000 1.049 30 V CA 2.252 64.551 62.300 -0.001 0.000 1.024 30 V CB -0.482 31.343 31.823 0.003 0.000 0.648 30 V HN 0.233 nan 8.190 nan 0.000 0.447 31 E N -0.126 120.032 120.200 -0.071 0.000 2.150 31 E HA -0.113 4.104 4.350 -0.222 0.000 0.193 31 E C 2.082 178.577 176.600 -0.174 0.000 0.985 31 E CA 0.828 57.124 56.400 -0.174 0.000 0.814 31 E CB -0.444 29.043 29.700 -0.355 0.000 0.752 31 E HN 0.413 nan 8.360 nan 0.000 0.466 32 V N 1.682 121.529 119.914 -0.112 0.000 2.295 32 V HA -0.287 3.700 4.120 -0.222 0.000 0.246 32 V C 1.722 177.708 176.094 -0.180 0.000 1.049 32 V CA 1.839 64.065 62.300 -0.123 0.000 1.024 32 V CB -0.513 31.294 31.823 -0.027 0.000 0.648 32 V HN 0.305 nan 8.190 nan 0.000 0.447 33 N N 0.016 118.678 118.700 -0.065 0.000 2.069 33 N HA -0.212 4.395 4.740 -0.222 0.000 0.191 33 N C 1.931 177.378 175.510 -0.105 0.000 1.031 33 N CA 1.586 54.624 53.050 -0.019 0.000 0.852 33 N CB -0.412 38.130 38.487 0.092 0.000 1.018 33 N HN 0.571 nan 8.380 nan 0.000 0.423 34 Q N 0.347 120.088 119.800 -0.099 0.000 2.061 34 Q HA -0.027 4.180 4.340 -0.222 0.000 0.204 34 Q C 2.134 178.044 176.000 -0.149 0.000 0.984 34 Q CA 1.808 57.547 55.803 -0.106 0.000 0.846 34 Q CB -0.182 28.494 28.738 -0.104 0.000 0.902 34 Q HN 0.427 nan 8.270 nan 0.000 0.421 35 A N 0.787 123.490 122.820 -0.196 0.000 1.858 35 A HA -0.167 4.020 4.320 -0.222 0.000 0.216 35 A C 2.267 179.706 177.584 -0.243 0.000 1.190 35 A CA 1.761 53.664 52.037 -0.222 0.000 0.617 35 A CB -1.011 17.837 19.000 -0.253 0.000 0.827 35 A HN 0.436 nan 8.150 nan 0.000 0.443 36 A N -1.159 121.461 122.820 -0.334 0.000 1.902 36 A HA -0.076 4.111 4.320 -0.222 0.000 0.217 36 A C 2.303 179.742 177.584 -0.242 0.000 1.181 36 A CA 2.309 54.111 52.037 -0.392 0.000 0.623 36 A CB -1.268 17.196 19.000 -0.894 0.000 0.818 36 A HN 0.444 nan 8.150 nan 0.000 0.443 37 T N 0.281 114.722 114.554 -0.188 0.000 2.708 37 T HA -0.017 4.200 4.350 -0.222 0.000 0.266 37 T C 2.228 176.886 174.700 -0.070 0.000 1.037 37 T CA 1.596 63.654 62.100 -0.071 0.000 1.146 37 T CB -0.437 68.412 68.868 -0.032 0.000 0.865 37 T HN 0.592 nan 8.240 nan 0.000 0.435 38 A N 1.360 124.123 122.820 -0.095 0.000 1.933 38 A HA 0.193 4.380 4.320 -0.222 0.000 0.218 38 A C 2.626 180.155 177.584 -0.092 0.000 1.175 38 A CA 1.759 53.744 52.037 -0.085 0.000 0.628 38 A CB -1.037 17.904 19.000 -0.099 0.000 0.814 38 A HN 0.501 nan 8.150 nan 0.000 0.444 39 A N -0.049 122.698 122.820 -0.121 0.000 1.902 39 A HA 0.165 4.352 4.320 -0.222 0.000 0.217 39 A C 2.507 180.048 177.584 -0.072 0.000 1.181 39 A CA 2.046 54.010 52.037 -0.122 0.000 0.623 39 A CB -1.032 17.875 19.000 -0.154 0.000 0.818 39 A HN 1.058 nan 8.150 nan 0.000 0.443 40 A N -0.382 122.406 122.820 -0.053 0.000 1.933 40 A HA -0.183 4.004 4.320 -0.222 0.000 0.218 40 A C 2.115 179.699 177.584 -0.000 0.000 1.175 40 A CA 1.988 54.019 52.037 -0.011 0.000 0.628 40 A CB -0.456 18.547 19.000 0.005 0.000 0.814 40 A HN 0.535 nan 8.150 nan 0.000 0.444 41 K N -0.190 120.203 120.400 -0.013 0.000 2.209 41 K HA -0.102 4.085 4.320 -0.222 0.000 0.204 41 K C 1.439 178.041 176.600 0.004 0.000 1.048 41 K CA 1.654 57.939 56.287 -0.004 0.000 0.940 41 K CB -0.147 32.344 32.500 -0.015 0.000 0.729 41 K HN 0.512 nan 8.250 nan 0.000 0.451 42 V N -3.893 116.017 119.914 -0.007 0.000 3.578 42 V HA 0.333 4.320 4.120 -0.222 0.000 0.290 42 V C 1.647 177.777 176.094 0.059 0.000 1.376 42 V CA 0.558 62.863 62.300 0.009 0.000 1.083 42 V CB 0.261 32.059 31.823 -0.040 0.000 0.911 42 V HN 0.154 nan 8.190 nan 0.000 0.433 43 A N 1.576 124.430 122.820 0.057 0.000 1.883 43 A HA -0.218 3.969 4.320 -0.222 0.000 0.217 43 A C 2.414 180.086 177.584 0.146 0.000 1.186 43 A CA 2.354 54.458 52.037 0.112 0.000 0.624 43 A CB -0.626 18.419 19.000 0.076 0.000 0.822 43 A HN 0.576 nan 8.150 nan 0.000 0.444 44 R N -0.566 119.997 120.500 0.104 0.000 2.073 44 R HA -0.166 4.041 4.340 -0.222 0.000 0.234 44 R C 1.539 177.904 176.300 0.108 0.000 1.134 44 R CA 1.870 58.029 56.100 0.098 0.000 0.952 44 R CB -0.355 29.989 30.300 0.074 0.000 0.850 44 R HN 0.470 nan 8.270 nan 0.000 0.433 45 D N -0.150 120.318 120.400 0.113 0.000 2.117 45 D HA -0.178 4.329 4.640 -0.222 0.000 0.197 45 D C 1.592 177.994 176.300 0.171 0.000 0.987 45 D CA 0.955 55.025 54.000 0.118 0.000 0.829 45 D CB -0.304 40.558 40.800 0.103 0.000 0.961 45 D HN 0.169 nan 8.370 nan 0.000 0.460 46 F N 2.300 122.262 119.950 0.020 0.000 2.134 46 F HA -0.154 4.240 4.527 -0.222 0.000 0.299 46 F C 2.304 178.120 175.800 0.027 0.000 1.097 46 F CA 1.437 59.446 58.000 0.014 0.000 1.264 46 F CB -0.171 38.828 39.000 -0.002 0.000 1.001 46 F HN -0.078 nan 8.300 nan 0.000 0.479 47 R N 0.016 120.523 120.500 0.012 0.000 2.189 47 R HA 0.004 4.211 4.340 -0.222 0.000 0.218 47 R C 1.775 178.071 176.300 -0.007 0.000 1.074 47 R CA 1.168 57.226 56.100 -0.070 0.000 0.991 47 R CB -0.557 29.770 30.300 0.045 0.000 0.883 47 R HN 0.201 nan 8.270 nan 0.000 0.457 48 R N 0.712 121.231 120.500 0.031 0.000 2.317 48 R HA 0.255 4.462 4.340 -0.222 0.000 0.208 48 R C 0.125 176.445 176.300 0.034 0.000 0.914 48 R CA -0.209 55.921 56.100 0.049 0.000 1.060 48 R CB 0.068 30.404 30.300 0.060 0.000 1.015 48 R HN 0.157 nan 8.270 nan 0.000 0.498 49 L N 1.813 123.036 121.223 0.000 0.000 2.482 49 L HA -0.006 4.201 4.340 -0.222 0.000 0.273 49 L C 0.502 177.380 176.870 0.014 0.000 1.228 49 L CA -0.157 54.685 54.840 0.004 0.000 0.827 49 L CB 0.152 42.196 42.059 -0.025 0.000 1.099 49 L HN 0.131 nan 8.230 nan 0.000 0.494 50 N N 1.694 120.411 118.700 0.028 0.000 2.441 50 N HA -0.035 4.572 4.740 -0.222 0.000 0.251 50 N C 0.696 176.234 175.510 0.046 0.000 1.242 50 N CA 0.187 53.264 53.050 0.044 0.000 0.898 50 N CB 0.306 38.815 38.487 0.038 0.000 1.100 50 N HN 0.544 nan 8.380 nan 0.000 0.443 51 N N 0.271 119.026 118.700 0.091 0.000 2.104 51 N HA -0.206 4.401 4.740 -0.222 0.000 0.190 51 N C 1.639 177.180 175.510 0.052 0.000 1.024 51 N CA 1.494 54.605 53.050 0.101 0.000 0.853 51 N CB 0.006 38.604 38.487 0.186 0.000 1.008 51 N HN 0.582 nan 8.380 nan 0.000 0.424 52 S N 0.972 116.703 115.700 0.051 0.000 2.382 52 S HA -0.153 4.184 4.470 -0.222 0.000 0.228 52 S C 1.851 176.466 174.600 0.026 0.000 1.027 52 S CA 1.065 59.287 58.200 0.037 0.000 0.991 52 S CB -0.155 63.066 63.200 0.035 0.000 0.823 52 S HN 0.141 nan 8.310 nan 0.000 0.469 53 K N 1.683 122.096 120.400 0.023 0.000 2.031 53 K HA 0.121 4.308 4.320 -0.222 0.000 0.205 53 K C 2.397 179.007 176.600 0.017 0.000 1.049 53 K CA 1.296 57.597 56.287 0.023 0.000 0.939 53 K CB -0.483 32.034 32.500 0.029 0.000 0.717 53 K HN 0.395 nan 8.250 nan 0.000 0.438 54 R N -0.473 120.016 120.500 -0.019 0.000 2.115 54 R HA 0.021 4.228 4.340 -0.222 0.000 0.230 54 R C 2.031 178.317 176.300 -0.024 0.000 1.111 54 R CA 1.193 57.261 56.100 -0.053 0.000 0.976 54 R CB -0.301 29.869 30.300 -0.215 0.000 0.870 54 R HN 0.298 nan 8.270 nan 0.000 0.445 55 A N -0.426 122.386 122.820 -0.014 0.000 1.902 55 A HA -0.172 4.015 4.320 -0.222 0.000 0.217 55 A C 2.096 179.688 177.584 0.014 0.000 1.181 55 A CA 1.858 53.897 52.037 0.003 0.000 0.623 55 A CB -0.771 18.240 19.000 0.019 0.000 0.818 55 A HN 0.403 nan 8.150 nan 0.000 0.443 56 S N -0.614 115.097 115.700 0.017 0.000 2.368 56 S HA -0.166 4.171 4.470 -0.222 0.000 0.225 56 S C 1.964 176.575 174.600 0.019 0.000 1.030 56 S CA 1.582 59.793 58.200 0.018 0.000 0.999 56 S CB -0.511 62.701 63.200 0.021 0.000 0.844 56 S HN 0.561 nan 8.310 nan 0.000 0.459 57 L N 1.769 123.010 121.223 0.029 0.000 2.012 57 L HA -0.026 4.182 4.340 -0.222 0.000 0.210 57 L C 2.126 179.004 176.870 0.014 0.000 1.073 57 L CA 1.824 56.684 54.840 0.034 0.000 0.748 57 L CB -0.788 41.321 42.059 0.083 0.000 0.891 57 L HN 0.414 nan 8.230 nan 0.000 0.431 58 L N -0.788 120.444 121.223 0.015 0.000 2.042 58 L HA -0.212 3.995 4.340 -0.222 0.000 0.210 58 L C 2.802 179.671 176.870 -0.002 0.000 1.076 58 L CA 1.518 56.361 54.840 0.005 0.000 0.749 58 L CB -0.554 41.517 42.059 0.021 0.000 0.893 58 L HN 0.271 nan 8.230 nan 0.000 0.432 59 R N -0.879 119.624 120.500 0.004 0.000 2.115 59 R HA -0.092 4.115 4.340 -0.222 0.000 0.230 59 R C 2.246 178.542 176.300 -0.007 0.000 1.111 59 R CA 1.645 57.745 56.100 -0.000 0.000 0.976 59 R CB -0.564 29.738 30.300 0.005 0.000 0.870 59 R HN 0.322 nan 8.270 nan 0.000 0.445 60 T N 1.441 115.991 114.554 -0.007 0.000 2.821 60 T HA -0.034 4.183 4.350 -0.222 0.000 0.267 60 T C 1.897 176.580 174.700 -0.028 0.000 1.046 60 T CA 0.935 63.027 62.100 -0.013 0.000 1.139 60 T CB -0.067 68.796 68.868 -0.008 0.000 0.871 60 T HN 0.137 nan 8.240 nan 0.000 0.454 61 I N 1.298 121.844 120.570 -0.040 0.000 2.226 61 I HA -0.179 3.858 4.170 -0.222 0.000 0.245 61 I C 2.875 178.957 176.117 -0.057 0.000 1.100 61 I CA 1.035 62.293 61.300 -0.070 0.000 1.374 61 I CB -0.418 37.521 38.000 -0.102 0.000 1.057 61 I HN 0.192 nan 8.210 nan 0.000 0.413 62 A N -0.017 122.781 122.820 -0.038 0.000 1.902 62 A HA -0.196 3.991 4.320 -0.222 0.000 0.217 62 A C 2.483 180.053 177.584 -0.023 0.000 1.181 62 A CA 2.215 54.235 52.037 -0.028 0.000 0.623 62 A CB -0.684 18.306 19.000 -0.016 0.000 0.818 62 A HN 0.383 nan 8.150 nan 0.000 0.443 63 S N -0.335 115.354 115.700 -0.019 0.000 2.368 63 S HA -0.110 4.227 4.470 -0.222 0.000 0.224 63 S C 1.907 176.497 174.600 -0.017 0.000 1.029 63 S CA 1.194 59.386 58.200 -0.014 0.000 0.988 63 S CB -0.274 62.920 63.200 -0.010 0.000 0.838 63 S HN 0.567 nan 8.310 nan 0.000 0.462 64 E N 1.372 121.557 120.200 -0.025 0.000 2.110 64 E HA -0.060 4.158 4.350 -0.222 0.000 0.193 64 E C 2.073 178.657 176.600 -0.027 0.000 0.988 64 E CA 0.637 57.021 56.400 -0.026 0.000 0.804 64 E CB -0.434 29.244 29.700 -0.037 0.000 0.745 64 E HN 0.460 nan 8.360 nan 0.000 0.458 65 L N 0.602 121.805 121.223 -0.033 0.000 2.017 65 L HA -0.187 4.020 4.340 -0.222 0.000 0.208 65 L C 2.376 179.236 176.870 -0.016 0.000 1.073 65 L CA 1.267 56.090 54.840 -0.029 0.000 0.745 65 L CB -0.348 41.690 42.059 -0.035 0.000 0.894 65 L HN 0.110 nan 8.230 nan 0.000 0.432 66 E N -0.023 120.169 120.200 -0.014 0.000 2.110 66 E HA -0.220 3.997 4.350 -0.222 0.000 0.193 66 E C 2.207 178.804 176.600 -0.006 0.000 0.988 66 E CA 1.118 57.513 56.400 -0.008 0.000 0.804 66 E CB -0.137 29.559 29.700 -0.007 0.000 0.745 66 E HN 0.494 nan 8.360 nan 0.000 0.458 67 A N 0.863 123.679 122.820 -0.007 0.000 2.015 67 A HA -0.092 4.095 4.320 -0.222 0.000 0.219 67 A C 1.766 179.349 177.584 -0.002 0.000 1.163 67 A CA 0.931 52.965 52.037 -0.005 0.000 0.646 67 A CB 0.041 19.037 19.000 -0.006 0.000 0.806 67 A HN -0.013 nan 8.150 nan 0.000 0.448 68 R N -0.009 120.490 120.500 -0.003 0.000 2.468 68 R HA 0.087 4.294 4.340 -0.222 0.000 0.280 68 R C 1.846 178.148 176.300 0.004 0.000 0.963 68 R CA 0.812 56.913 56.100 0.002 0.000 1.083 68 R CB -0.551 29.751 30.300 0.003 0.000 1.200 68 R HN 0.713 nan 8.270 nan 0.000 0.541 69 S N 0.755 116.456 115.700 0.001 0.000 2.380 69 S HA -0.216 4.122 4.470 -0.222 0.000 0.229 69 S C 1.342 175.945 174.600 0.006 0.000 1.043 69 S CA 1.570 59.772 58.200 0.002 0.000 1.038 69 S CB -0.082 63.118 63.200 0.000 0.000 0.872 69 S HN 0.145 nan 8.310 nan 0.000 0.456 70 D N 2.116 122.519 120.400 0.005 0.000 2.106 70 D HA -0.104 4.403 4.640 -0.222 0.000 0.191 70 D C 1.770 178.079 176.300 0.015 0.000 0.997 70 D CA 1.647 55.651 54.000 0.006 0.000 0.834 70 D CB -0.687 40.115 40.800 0.005 0.000 0.956 70 D HN 0.454 nan 8.370 nan 0.000 0.448 71 D N 0.200 120.612 120.400 0.019 0.000 2.117 71 D HA -0.098 4.409 4.640 -0.222 0.000 0.197 71 D C 2.377 178.699 176.300 0.037 0.000 0.987 71 D CA 0.423 54.441 54.000 0.029 0.000 0.829 71 D CB -0.300 40.517 40.800 0.029 0.000 0.961 71 D HN 0.294 nan 8.370 nan 0.000 0.460 72 I N 0.801 121.388 120.570 0.029 0.000 2.142 72 I HA -0.242 3.795 4.170 -0.222 0.000 0.240 72 I C 2.485 178.622 176.117 0.033 0.000 1.078 72 I CA 0.840 62.157 61.300 0.028 0.000 1.343 72 I CB -0.212 37.796 38.000 0.013 0.000 1.046 72 I HN -0.052 nan 8.210 nan 0.000 0.405 73 I N 0.824 121.411 120.570 0.027 0.000 2.179 73 I HA -0.302 3.735 4.170 -0.222 0.000 0.242 73 I C 2.836 178.994 176.117 0.070 0.000 1.088 73 I CA 1.430 62.750 61.300 0.033 0.000 1.357 73 I CB -0.550 37.455 38.000 0.008 0.000 1.051 73 I HN 0.200 nan 8.210 nan 0.000 0.409 74 A N 0.730 123.587 122.820 0.062 0.000 1.902 74 A HA -0.264 3.923 4.320 -0.222 0.000 0.217 74 A C 2.354 180.015 177.584 0.129 0.000 1.181 74 A CA 2.095 54.187 52.037 0.091 0.000 0.623 74 A CB -0.530 18.506 19.000 0.061 0.000 0.818 74 A HN 0.301 nan 8.150 nan 0.000 0.443 75 R N -0.136 120.424 120.500 0.100 0.000 2.062 75 R HA 0.098 4.305 4.340 -0.222 0.000 0.229 75 R C 2.198 178.558 176.300 0.100 0.000 1.128 75 R CA 1.757 57.920 56.100 0.104 0.000 0.960 75 R CB -0.853 29.505 30.300 0.096 0.000 0.855 75 R HN 0.363 nan 8.270 nan 0.000 0.432 76 A N -0.378 122.490 122.820 0.080 0.000 1.940 76 A HA -0.225 3.962 4.320 -0.222 0.000 0.219 76 A C 2.059 179.689 177.584 0.077 0.000 1.176 76 A CA 1.957 54.021 52.037 0.045 0.000 0.631 76 A CB -0.961 18.039 19.000 -0.000 0.000 0.814 76 A HN 0.647 nan 8.150 nan 0.000 0.446 77 H N 0.013 119.110 119.070 0.044 0.000 2.353 77 H HA -0.020 4.401 4.556 -0.224 0.000 0.300 77 H C 1.651 177.087 175.328 0.180 0.000 1.090 77 H CA 2.066 58.173 56.048 0.099 0.000 1.327 77 H CB -0.263 29.566 29.762 0.110 0.000 1.383 77 H HN 0.379 nan 8.280 nan 0.000 0.508 78 L N -0.174 121.088 121.223 0.066 0.000 2.179 78 L HA -0.041 4.166 4.340 -0.222 0.000 0.208 78 L C 2.190 179.061 176.870 0.002 0.000 1.096 78 L CA 1.196 56.074 54.840 0.063 0.000 0.779 78 L CB -0.252 41.879 42.059 0.119 0.000 0.922 78 L HN 0.388 nan 8.230 nan 0.000 0.443 79 E N -0.598 119.607 120.200 0.008 0.000 2.285 79 E HA -0.117 4.100 4.350 -0.222 0.000 0.194 79 E C 1.809 178.372 176.600 -0.062 0.000 0.997 79 E CA 1.572 57.973 56.400 0.003 0.000 0.845 79 E CB 0.178 29.911 29.700 0.054 0.000 0.782 79 E HN 0.537 nan 8.360 nan 0.000 0.491 80 T N -3.948 110.534 114.554 -0.119 0.000 2.958 80 T HA 0.490 4.707 4.350 -0.222 0.000 0.256 80 T C 1.233 175.754 174.700 -0.299 0.000 0.983 80 T CA 0.376 62.376 62.100 -0.165 0.000 0.924 80 T CB 0.886 69.680 68.868 -0.123 0.000 1.136 80 T HN 0.115 nan 8.240 nan 0.000 0.506 81 A N 0.775 123.323 122.820 -0.453 0.000 3.172 81 A HA -0.104 4.083 4.320 -0.222 0.000 0.263 81 A C 0.280 177.761 177.584 -0.172 0.000 1.215 81 A CA 0.887 52.482 52.037 -0.735 0.000 1.065 81 A CB -2.671 15.694 19.000 -1.058 0.000 1.148 81 A HN 0.635 nan 8.150 nan 0.000 0.904 82 L N 1.602 122.794 121.223 -0.052 0.000 2.410 82 L HA 0.315 4.522 4.340 -0.222 0.000 0.273 82 L C -1.418 175.593 176.870 0.235 0.000 1.152 82 L CA -1.729 53.131 54.840 0.033 0.000 0.855 82 L CB 0.402 42.428 42.059 -0.055 0.000 1.129 82 L HN 0.218 nan 8.230 nan 0.000 0.463 83 P HA -0.033 nan 4.420 nan 0.000 0.266 83 P C 0.105 177.431 177.300 0.044 0.000 1.195 83 P CA -0.077 63.113 63.100 0.150 0.000 0.768 83 P CB 0.723 32.469 31.700 0.077 0.000 0.838 84 E N 1.588 121.723 120.200 -0.109 0.000 2.097 84 E HA -0.126 4.091 4.350 -0.222 0.000 0.196 84 E C 1.841 178.410 176.600 -0.052 0.000 1.000 84 E CA 1.242 57.564 56.400 -0.129 0.000 0.804 84 E CB -0.602 28.967 29.700 -0.219 0.000 0.740 84 E HN 0.244 nan 8.360 nan 0.000 0.454 85 V N 1.634 121.525 119.914 -0.038 0.000 2.392 85 V HA -0.276 3.711 4.120 -0.222 0.000 0.249 85 V C 2.538 178.634 176.094 0.004 0.000 1.059 85 V CA 2.127 64.419 62.300 -0.015 0.000 1.051 85 V CB -0.525 31.293 31.823 -0.009 0.000 0.658 85 V HN 0.162 nan 8.190 nan 0.000 0.455 86 R N 0.583 121.088 120.500 0.008 0.000 2.073 86 R HA -0.051 4.156 4.340 -0.222 0.000 0.229 86 R C 1.979 178.279 176.300 0.001 0.000 1.120 86 R CA 1.743 57.852 56.100 0.014 0.000 0.967 86 R CB -0.827 29.475 30.300 0.003 0.000 0.862 86 R HN 0.460 nan 8.270 nan 0.000 0.436 87 L N 0.058 121.277 121.223 -0.006 0.000 2.141 87 L HA -0.077 4.130 4.340 -0.222 0.000 0.209 87 L C 2.082 178.953 176.870 0.002 0.000 1.094 87 L CA 1.739 56.573 54.840 -0.009 0.000 0.763 87 L CB -0.566 41.494 42.059 0.002 0.000 0.908 87 L HN 0.277 nan 8.230 nan 0.000 0.437 88 T N -0.472 114.083 114.554 0.002 0.000 2.821 88 T HA -0.111 4.106 4.350 -0.222 0.000 0.267 88 T C 1.834 176.544 174.700 0.018 0.000 1.046 88 T CA 1.334 63.437 62.100 0.005 0.000 1.139 88 T CB -0.437 68.430 68.868 -0.002 0.000 0.871 88 T HN 0.548 nan 8.240 nan 0.000 0.454 89 G N 0.622 109.439 108.800 0.028 0.000 2.421 89 G HA2 -0.138 3.689 3.960 -0.222 0.000 0.217 89 G HA3 -0.138 3.689 3.960 -0.222 0.000 0.217 89 G C 1.378 176.316 174.900 0.063 0.000 1.143 89 G CA 0.503 45.631 45.100 0.047 0.000 0.784 89 G HN 0.512 nan 8.290 nan 0.000 0.541 90 E N -0.130 120.108 120.200 0.062 0.000 2.152 90 E HA 0.008 4.225 4.350 -0.222 0.000 0.192 90 E C 2.403 179.040 176.600 0.062 0.000 0.983 90 E CA 0.197 56.650 56.400 0.089 0.000 0.818 90 E CB -0.093 29.653 29.700 0.076 0.000 0.758 90 E HN 0.488 nan 8.360 nan 0.000 0.467 91 I N 0.707 121.297 120.570 0.033 0.000 2.315 91 I HA -0.240 3.797 4.170 -0.222 0.000 0.248 91 I C 2.488 178.616 176.117 0.018 0.000 1.117 91 I CA 0.914 62.225 61.300 0.019 0.000 1.404 91 I CB -0.261 37.744 38.000 0.008 0.000 1.071 91 I HN 0.146 nan 8.210 nan 0.000 0.419 92 A N 0.752 123.585 122.820 0.023 0.000 1.898 92 A HA -0.236 3.951 4.320 -0.222 0.000 0.216 92 A C 2.450 180.045 177.584 0.020 0.000 1.181 92 A CA 1.592 53.641 52.037 0.019 0.000 0.620 92 A CB -0.611 18.402 19.000 0.022 0.000 0.819 92 A HN 0.343 nan 8.150 nan 0.000 0.442 93 R N -0.677 119.844 120.500 0.036 0.000 2.073 93 R HA -0.128 4.079 4.340 -0.222 0.000 0.234 93 R C 2.115 178.421 176.300 0.011 0.000 1.134 93 R CA 2.109 58.230 56.100 0.034 0.000 0.952 93 R CB -0.680 29.667 30.300 0.078 0.000 0.850 93 R HN 0.477 nan 8.270 nan 0.000 0.433 94 T N 0.773 115.338 114.554 0.018 0.000 2.684 94 T HA -0.135 4.082 4.350 -0.222 0.000 0.267 94 T C 1.847 176.541 174.700 -0.009 0.000 1.036 94 T CA 1.509 63.608 62.100 -0.001 0.000 1.148 94 T CB -0.337 68.534 68.868 0.005 0.000 0.863 94 T HN 0.480 nan 8.240 nan 0.000 0.436 95 A N 2.451 125.268 122.820 -0.007 0.000 1.877 95 A HA -0.129 4.059 4.320 -0.222 0.000 0.216 95 A C 2.235 179.812 177.584 -0.012 0.000 1.186 95 A CA 1.408 53.438 52.037 -0.011 0.000 0.620 95 A CB -0.588 18.407 19.000 -0.008 0.000 0.822 95 A HN 0.394 nan 8.150 nan 0.000 0.443 96 N N -0.523 118.168 118.700 -0.015 0.000 2.381 96 N HA -0.148 4.459 4.740 -0.222 0.000 0.182 96 N C 1.811 177.288 175.510 -0.056 0.000 1.025 96 N CA 1.349 54.382 53.050 -0.029 0.000 0.888 96 N CB -0.314 38.158 38.487 -0.025 0.000 0.965 96 N HN 0.800 nan 8.380 nan 0.000 0.438 97 Q N 0.742 120.515 119.800 -0.044 0.000 2.079 97 Q HA 0.013 4.220 4.340 -0.222 0.000 0.200 97 Q C 2.030 178.048 176.000 0.030 0.000 0.974 97 Q CA 0.833 56.604 55.803 -0.053 0.000 0.840 97 Q CB -0.019 28.707 28.738 -0.020 0.000 0.898 97 Q HN 0.260 nan 8.270 nan 0.000 0.430 98 L N 0.119 121.376 121.223 0.057 0.000 2.083 98 L HA -0.187 4.020 4.340 -0.222 0.000 0.209 98 L C 2.617 179.521 176.870 0.058 0.000 1.083 98 L CA 1.405 56.300 54.840 0.091 0.000 0.752 98 L CB -0.227 41.845 42.059 0.022 0.000 0.899 98 L HN 0.168 nan 8.230 nan 0.000 0.433 99 R N -0.712 119.788 120.500 -0.001 0.000 2.115 99 R HA -0.155 4.052 4.340 -0.222 0.000 0.230 99 R C 2.136 178.400 176.300 -0.059 0.000 1.111 99 R CA 0.968 57.057 56.100 -0.018 0.000 0.976 99 R CB -0.351 29.936 30.300 -0.021 0.000 0.870 99 R HN 0.187 nan 8.270 nan 0.000 0.445 100 L N -0.067 121.067 121.223 -0.149 0.000 2.017 100 L HA -0.101 4.106 4.340 -0.222 0.000 0.208 100 L C 1.604 178.274 176.870 -0.334 0.000 1.073 100 L CA 1.795 56.450 54.840 -0.308 0.000 0.745 100 L CB -0.437 41.297 42.059 -0.542 0.000 0.894 100 L HN -0.011 nan 8.230 nan 0.000 0.432 101 F N 0.086 119.973 119.950 -0.105 0.000 2.293 101 F HA -0.051 4.342 4.527 -0.223 0.000 0.300 101 F C 2.486 178.237 175.800 -0.082 0.000 1.086 101 F CA 0.979 58.916 58.000 -0.105 0.000 1.375 101 F CB -1.223 37.709 39.000 -0.115 0.000 1.045 101 F HN 0.218 nan 8.300 nan 0.000 0.516 102 A N 0.010 122.876 122.820 0.078 0.000 1.902 102 A HA -0.181 4.006 4.320 -0.222 0.000 0.217 102 A C 2.038 179.643 177.584 0.035 0.000 1.181 102 A CA 2.001 54.062 52.037 0.041 0.000 0.623 102 A CB -0.725 18.291 19.000 0.026 0.000 0.818 102 A HN 0.244 nan 8.150 nan 0.000 0.443 103 D N -0.219 120.195 120.400 0.023 0.000 2.117 103 D HA -0.097 4.410 4.640 -0.222 0.000 0.197 103 D C 2.123 178.472 176.300 0.082 0.000 0.987 103 D CA 1.419 55.449 54.000 0.049 0.000 0.829 103 D CB -0.520 40.314 40.800 0.057 0.000 0.961 103 D HN 0.213 nan 8.370 nan 0.000 0.460 104 V N 0.927 120.883 119.914 0.070 0.000 2.255 104 V HA -0.228 3.759 4.120 -0.222 0.000 0.247 104 V C 2.718 178.903 176.094 0.151 0.000 1.051 104 V CA 1.192 63.565 62.300 0.122 0.000 1.018 104 V CB -0.556 31.323 31.823 0.094 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.372 120.328 119.914 0.069 0.000 2.287 105 V HA -0.295 3.692 4.120 -0.222 0.000 0.248 105 V C 2.312 178.499 176.094 0.156 0.000 1.053 105 V CA 2.520 64.838 62.300 0.030 0.000 1.027 105 V CB -1.040 30.714 31.823 -0.114 0.000 0.646 105 V HN 0.603 nan 8.190 nan 0.000 0.447 106 N N 0.684 119.445 118.700 0.101 0.000 2.149 106 N HA -0.171 4.436 4.740 -0.222 0.000 0.188 106 N C 1.938 177.518 175.510 0.117 0.000 1.019 106 N CA 1.690 54.799 53.050 0.098 0.000 0.857 106 N CB -0.231 38.296 38.487 0.066 0.000 0.997 106 N HN 0.614 nan 8.380 nan 0.000 0.426 107 S N -1.577 114.200 115.700 0.128 0.000 2.481 107 S HA 0.095 4.432 4.470 -0.222 0.000 0.231 107 S C 1.657 176.338 174.600 0.135 0.000 0.996 107 S CA 0.817 59.087 58.200 0.116 0.000 0.942 107 S CB -0.542 62.726 63.200 0.113 0.000 0.768 107 S HN 0.501 nan 8.310 nan 0.000 0.520 108 G N 1.215 110.129 108.800 0.190 0.000 2.155 108 G HA2 -0.365 3.462 3.960 -0.222 0.000 0.257 108 G HA3 -0.365 3.462 3.960 -0.222 0.000 0.257 108 G C 1.047 175.978 174.900 0.051 0.000 0.983 108 G CA 1.050 46.241 45.100 0.153 0.000 0.676 108 G HN 1.243 nan 8.290 nan 0.000 0.528 109 S N -0.181 115.589 115.700 0.117 0.000 2.383 109 S HA -0.153 4.184 4.470 -0.222 0.000 0.227 109 S C 2.103 176.774 174.600 0.117 0.000 1.026 109 S CA 1.892 60.162 58.200 0.118 0.000 0.981 109 S CB -0.678 62.619 63.200 0.162 0.000 0.818 109 S HN 1.537 nan 8.310 nan 0.000 0.472 110 Y N 1.406 121.746 120.300 0.065 0.000 2.465 110 Y HA -0.053 4.365 4.550 -0.221 0.000 0.289 110 Y C 2.174 178.134 175.900 0.099 0.000 1.150 110 Y CA 1.210 59.355 58.100 0.076 0.000 1.293 110 Y CB -1.203 37.197 38.460 -0.101 0.000 0.977 110 Y HN 0.291 nan 8.280 nan 0.000 0.556 111 H N 0.931 119.625 119.070 -0.627 0.000 2.421 111 H HA -0.114 4.310 4.556 -0.221 0.000 0.298 111 H C 0.652 175.921 175.328 -0.099 0.000 1.087 111 H CA 1.543 57.335 56.048 -0.427 0.000 1.330 111 H CB -0.264 29.252 29.762 -0.410 0.000 1.388 111 H HN 0.559 nan 8.280 nan 0.000 0.526 112 Q N -0.829 119.021 119.800 0.082 0.000 2.451 112 Q HA -0.151 4.056 4.340 -0.222 0.000 0.305 112 Q C -0.039 175.993 176.000 0.053 0.000 1.345 112 Q CA 0.246 56.093 55.803 0.073 0.000 0.854 112 Q CB -1.568 27.212 28.738 0.070 0.000 1.162 112 Q HN 0.446 nan 8.270 nan 0.000 0.440 113 A N 0.923 123.765 122.820 0.036 0.000 2.548 113 A HA 0.402 4.590 4.320 -0.222 0.000 0.247 113 A C 0.334 177.925 177.584 0.011 0.000 1.067 113 A CA 0.407 52.447 52.037 0.006 0.000 0.757 113 A CB 0.225 19.200 19.000 -0.041 0.000 0.996 113 A HN 0.422 nan 8.150 nan 0.000 0.504 114 I N 3.420 124.002 120.570 0.020 0.000 2.533 114 I HA 0.344 4.381 4.170 -0.222 0.000 0.290 114 I C -0.849 175.280 176.117 0.020 0.000 1.056 114 I CA -0.566 60.746 61.300 0.020 0.000 1.057 114 I CB 1.800 39.816 38.000 0.027 0.000 1.240 114 I HN 0.381 nan 8.210 nan 0.000 0.423 115 L N 4.614 125.844 121.223 0.012 0.000 2.386 115 L HA 0.521 4.728 4.340 -0.222 0.000 0.271 115 L C -1.060 175.817 176.870 0.012 0.000 0.993 115 L CA -0.570 54.277 54.840 0.011 0.000 0.819 115 L CB 2.082 44.140 42.059 -0.001 0.000 1.294 115 L HN 0.487 nan 8.230 nan 0.000 0.414 116 D N 1.529 121.939 120.400 0.016 0.000 2.280 116 D HA 0.243 4.750 4.640 -0.222 0.000 0.236 116 D C -0.066 176.240 176.300 0.010 0.000 1.082 116 D CA -0.134 53.874 54.000 0.013 0.000 0.834 116 D CB 1.988 42.798 40.800 0.017 0.000 1.100 116 D HN 0.372 nan 8.370 nan 0.000 0.486 117 T N 4.739 119.297 114.554 0.007 0.000 2.834 117 T HA 0.202 4.419 4.350 -0.222 0.000 0.298 117 T C -1.917 172.786 174.700 0.006 0.000 0.966 117 T CA -0.895 61.207 62.100 0.004 0.000 1.141 117 T CB 0.849 69.719 68.868 0.002 0.000 0.905 117 T HN 0.236 nan 8.240 nan 0.000 0.535 118 P HA 0.203 nan 4.420 nan 0.000 0.272 118 P C -0.494 176.809 177.300 0.005 0.000 1.240 118 P CA -0.501 62.603 63.100 0.007 0.000 0.791 118 P CB 0.589 32.293 31.700 0.008 0.000 0.978 119 N N 1.281 119.984 118.700 0.005 0.000 2.685 119 N HA 0.163 4.770 4.740 -0.222 0.000 0.252 119 N C -1.988 173.524 175.510 0.004 0.000 1.261 119 N CA -2.073 50.980 53.050 0.004 0.000 0.768 119 N CB 0.579 39.068 38.487 0.004 0.000 1.304 119 N HN 0.089 nan 8.380 nan 0.000 0.536 120 P HA -0.064 nan 4.420 nan 0.000 0.225 120 P C 0.545 177.847 177.300 0.003 0.000 1.148 120 P CA 1.111 64.214 63.100 0.004 0.000 0.779 120 P CB 0.073 31.776 31.700 0.004 0.000 0.780 121 T N -3.923 110.633 114.554 0.003 0.000 3.223 121 T HA 0.192 4.409 4.350 -0.222 0.000 0.259 121 T C 0.671 175.373 174.700 0.002 0.000 1.015 121 T CA -0.589 61.513 62.100 0.002 0.000 0.908 121 T CB -0.291 68.578 68.868 0.002 0.000 1.054 121 T HN -0.016 nan 8.240 nan 0.000 0.567 122 R N 1.176 121.677 120.500 0.003 0.000 2.390 122 R HA 0.637 4.844 4.340 -0.222 0.000 0.291 122 R C -0.499 175.803 176.300 0.003 0.000 1.070 122 R CA -0.260 55.841 56.100 0.003 0.000 1.014 122 R CB 0.527 30.829 30.300 0.003 0.000 1.007 122 R HN 0.404 nan 8.270 nan 0.000 0.466 123 A N 5.032 127.853 122.820 0.002 0.000 2.340 123 A HA 0.477 4.664 4.320 -0.222 0.000 0.331 123 A C -1.835 175.750 177.584 0.002 0.000 1.140 123 A CA -1.494 50.544 52.037 0.002 0.000 0.801 123 A CB 1.144 20.145 19.000 0.002 0.000 1.234 123 A HN 0.755 nan 8.150 nan 0.000 0.469 124 P HA 0.062 nan 4.420 nan 0.000 0.215 124 P C -0.255 177.047 177.300 0.002 0.000 1.157 124 P CA 0.850 63.951 63.100 0.002 0.000 0.859 124 P CB 0.051 31.752 31.700 0.002 0.000 0.786 125 L N 0.813 122.038 121.223 0.003 0.000 2.325 125 L HA 0.427 4.634 4.340 -0.222 0.000 0.278 125 L C -2.309 174.564 176.870 0.004 0.000 1.023 125 L CA -2.615 52.227 54.840 0.003 0.000 0.811 125 L CB 1.596 43.657 42.059 0.003 0.000 1.249 125 L HN -0.135 nan 8.230 nan 0.000 0.431 126 P HA 0.034 nan 4.420 nan 0.000 0.272 126 P C -1.272 176.032 177.300 0.006 0.000 1.223 126 P CA -0.499 62.604 63.100 0.005 0.000 0.784 126 P CB 0.978 32.681 31.700 0.005 0.000 0.923 127 K N 3.610 124.013 120.400 0.006 0.000 2.262 127 K HA 0.288 4.475 4.320 -0.222 0.000 0.282 127 K C -2.016 174.589 176.600 0.009 0.000 1.066 127 K CA -2.195 54.096 56.287 0.007 0.000 0.901 127 K CB 0.371 32.875 32.500 0.006 0.000 1.089 127 K HN 0.332 nan 8.250 nan 0.000 0.476 128 P HA 0.008 nan 4.420 nan 0.000 0.274 128 P C -0.923 176.387 177.300 0.016 0.000 1.246 128 P CA -0.290 62.818 63.100 0.013 0.000 0.795 128 P CB 0.678 32.386 31.700 0.015 0.000 1.006 129 D N 1.506 121.917 120.400 0.019 0.000 2.336 129 D HA 0.275 4.782 4.640 -0.222 0.000 0.249 129 D C -0.513 175.808 176.300 0.034 0.000 1.213 129 D CA -0.064 53.949 54.000 0.021 0.000 0.870 129 D CB -0.367 40.444 40.800 0.019 0.000 1.076 129 D HN 0.210 nan 8.370 nan 0.000 0.483 130 I N 4.190 124.781 120.570 0.035 0.000 2.465 130 I HA 0.431 4.468 4.170 -0.222 0.000 0.291 130 I C 0.133 176.286 176.117 0.059 0.000 1.014 130 I CA -0.849 60.482 61.300 0.052 0.000 1.093 130 I CB 1.753 39.777 38.000 0.040 0.000 1.267 130 I HN 0.108 nan 8.210 nan 0.000 0.431 131 R N 5.705 126.265 120.500 0.099 0.000 2.621 131 R HA 0.690 4.897 4.340 -0.222 0.000 0.284 131 R C -1.102 175.313 176.300 0.191 0.000 0.998 131 R CA -1.008 55.150 56.100 0.096 0.000 0.895 131 R CB 2.943 33.269 30.300 0.043 0.000 1.195 131 R HN 0.680 nan 8.270 nan 0.000 0.450 132 R N 1.073 121.659 120.500 0.144 0.000 2.795 132 R HA 0.490 4.697 4.340 -0.222 0.000 0.275 132 R C -1.193 175.196 176.300 0.149 0.000 0.981 132 R CA -1.008 55.209 56.100 0.195 0.000 0.917 132 R CB 2.148 32.519 30.300 0.119 0.000 1.202 132 R HN 0.783 nan 8.270 nan 0.000 0.469 133 Q N 0.666 120.589 119.800 0.204 0.000 2.590 133 Q HA 0.343 4.551 4.340 -0.222 0.000 0.295 133 Q C -1.307 174.806 176.000 0.189 0.000 0.973 133 Q CA -1.265 54.632 55.803 0.156 0.000 0.768 133 Q CB 1.902 30.704 28.738 0.106 0.000 1.479 133 Q HN 0.523 nan 8.270 nan 0.000 0.419 134 Q N 1.282 121.194 119.800 0.187 0.000 2.230 134 Q HA 0.612 4.819 4.340 -0.222 0.000 0.253 134 Q C -0.352 175.795 176.000 0.246 0.000 0.919 134 Q CA -0.444 55.483 55.803 0.207 0.000 0.908 134 Q CB 2.035 30.913 28.738 0.233 0.000 1.245 134 Q HN 0.723 nan 8.270 nan 0.000 0.437 135 I N -2.359 118.346 120.570 0.226 0.000 2.934 135 I HA 0.782 4.819 4.170 -0.222 0.000 0.306 135 I C -0.459 175.775 176.117 0.194 0.000 1.110 135 I CA -1.478 59.956 61.300 0.223 0.000 1.019 135 I CB 1.983 40.101 38.000 0.197 0.000 1.227 135 I HN 0.515 nan 8.210 nan 0.000 0.434 136 A N 3.972 126.894 122.820 0.170 0.000 2.540 136 A HA 0.286 4.473 4.320 -0.222 0.000 0.239 136 A C 0.926 178.602 177.584 0.153 0.000 1.061 136 A CA -0.137 51.992 52.037 0.154 0.000 0.758 136 A CB 0.093 19.161 19.000 0.113 0.000 0.991 136 A HN 0.892 nan 8.150 nan 0.000 0.502 137 L N 2.045 123.375 121.223 0.178 0.000 2.141 137 L HA 0.180 4.387 4.340 -0.222 0.000 0.209 137 L C 1.537 178.484 176.870 0.129 0.000 1.094 137 L CA 1.367 56.305 54.840 0.162 0.000 0.763 137 L CB -0.613 41.573 42.059 0.212 0.000 0.908 137 L HN 1.129 nan 8.230 nan 0.000 0.437 138 G N -1.801 107.072 108.800 0.122 0.000 2.270 138 G HA2 -0.058 3.769 3.960 -0.222 0.000 0.268 138 G HA3 -0.058 3.769 3.960 -0.222 0.000 0.268 138 G C -2.949 171.987 174.900 0.059 0.000 1.312 138 G CA -1.117 44.037 45.100 0.090 0.000 1.050 138 G HN -0.211 nan 8.290 nan 0.000 0.474 139 P HA 0.417 nan 4.420 nan 0.000 0.265 139 P C -0.282 176.993 177.300 -0.043 0.000 1.193 139 P CA -0.070 63.009 63.100 -0.034 0.000 0.765 139 P CB 1.131 32.799 31.700 -0.053 0.000 0.823 140 V N 2.949 122.786 119.914 -0.127 0.000 2.555 140 V HA 0.641 4.629 4.120 -0.222 0.000 0.302 140 V C 0.179 176.168 176.094 -0.175 0.000 1.038 140 V CA -0.848 61.349 62.300 -0.172 0.000 0.887 140 V CB 1.748 33.281 31.823 -0.482 0.000 0.991 140 V HN 0.585 nan 8.190 nan 0.000 0.434 141 A N 4.373 127.150 122.820 -0.072 0.000 2.301 141 A HA 0.828 5.015 4.320 -0.222 0.000 0.312 141 A C -0.705 176.864 177.584 -0.026 0.000 1.182 141 A CA -0.439 51.557 52.037 -0.069 0.000 0.826 141 A CB 1.118 20.151 19.000 0.054 0.000 1.134 141 A HN 0.694 nan 8.150 nan 0.000 0.501 142 V N 2.529 122.366 119.914 -0.129 0.000 2.588 142 V HA 0.475 4.462 4.120 -0.222 0.000 0.304 142 V C -1.296 174.737 176.094 -0.102 0.000 1.042 142 V CA -0.271 62.018 62.300 -0.018 0.000 0.877 142 V CB 1.391 33.181 31.823 -0.054 0.000 0.996 142 V HN 0.728 nan 8.190 nan 0.000 0.425 143 F N 2.669 122.666 119.950 0.078 0.000 2.402 143 F HA 0.696 5.089 4.527 -0.223 0.000 0.355 143 F C 0.985 176.790 175.800 0.009 0.000 1.123 143 F CA -0.498 57.537 58.000 0.058 0.000 1.021 143 F CB 1.663 40.751 39.000 0.146 0.000 1.160 143 F HN 0.584 nan 8.300 nan 0.000 0.451 144 G N 1.327 110.241 108.800 0.188 0.000 2.572 144 G HA2 0.527 4.354 3.960 -0.222 0.000 0.261 144 G HA3 0.527 4.354 3.960 -0.222 0.000 0.261 144 G C -0.678 174.366 174.900 0.241 0.000 1.197 144 G CA -0.561 44.672 45.100 0.223 0.000 0.870 144 G HN 0.848 nan 8.290 nan 0.000 0.548 145 A N 0.012 122.967 122.820 0.225 0.000 2.327 145 A HA 0.523 4.710 4.320 -0.222 0.000 0.283 145 A C 1.552 179.197 177.584 0.103 0.000 1.127 145 A CA 0.338 52.453 52.037 0.131 0.000 0.810 145 A CB 0.867 19.923 19.000 0.093 0.000 1.066 145 A HN 1.331 nan 8.150 nan 0.000 0.492 146 S N 1.539 117.172 115.700 -0.112 0.000 2.395 146 S HA -0.147 4.190 4.470 -0.222 0.000 0.225 146 S C 1.292 175.825 174.600 -0.112 0.000 1.027 146 S CA 1.058 59.079 58.200 -0.299 0.000 0.965 146 S CB -0.449 62.463 63.200 -0.481 0.000 0.812 146 S HN 0.883 nan 8.310 nan 0.000 0.482 147 N N 0.818 119.484 118.700 -0.056 0.000 2.494 147 N HA 0.013 4.620 4.740 -0.222 0.000 0.182 147 N C -0.424 174.903 175.510 -0.305 0.000 1.076 147 N CA 0.348 53.358 53.050 -0.067 0.000 0.908 147 N CB -0.491 38.095 38.487 0.165 0.000 0.967 147 N HN 0.503 nan 8.380 nan 0.000 0.449 148 F N 1.021 120.870 119.950 -0.169 0.000 2.710 148 F HA 0.389 4.786 4.527 -0.216 0.000 0.345 148 F C -1.729 174.018 175.800 -0.088 0.000 1.362 148 F CA -2.085 55.842 58.000 -0.123 0.000 1.175 148 F CB 1.793 40.736 39.000 -0.095 0.000 1.561 148 F HN -0.143 nan 8.300 nan 0.000 0.593 149 P HA -0.141 nan 4.420 nan 0.000 0.227 149 P C 0.852 177.990 177.300 -0.270 0.000 1.145 149 P CA 1.516 64.277 63.100 -0.565 0.000 0.769 149 P CB 0.636 31.881 31.700 -0.759 0.000 0.769 150 L N -1.455 119.743 121.223 -0.041 0.000 2.738 150 L HA 0.299 4.506 4.340 -0.222 0.000 0.175 150 L C 2.585 179.511 176.870 0.093 0.000 1.125 150 L CA 0.778 55.628 54.840 0.017 0.000 0.857 150 L CB -1.183 40.881 42.059 0.008 0.000 1.300 150 L HN -0.277 nan 8.230 nan 0.000 0.499 151 A N -0.427 122.510 122.820 0.194 0.000 2.121 151 A HA -0.032 4.155 4.320 -0.222 0.000 0.218 151 A C 1.199 178.780 177.584 -0.005 0.000 1.154 151 A CA 1.366 53.483 52.037 0.133 0.000 0.679 151 A CB -0.357 18.781 19.000 0.229 0.000 0.795 151 A HN 0.395 nan 8.150 nan 0.000 0.458 152 F N -1.397 118.592 119.950 0.066 0.000 2.814 152 F HA 0.385 4.784 4.527 -0.214 0.000 0.326 152 F C 1.056 176.904 175.800 0.081 0.000 1.159 152 F CA -0.046 57.981 58.000 0.046 0.000 1.234 152 F CB 0.306 39.318 39.000 0.019 0.000 1.016 152 F HN 0.135 nan 8.300 nan 0.000 0.510 153 S N -0.537 115.284 115.700 0.202 0.000 4.341 153 S HA 0.684 5.021 4.470 -0.222 0.000 0.223 153 S C 1.798 176.486 174.600 0.148 0.000 1.085 153 S CA 0.442 58.763 58.200 0.202 0.000 1.732 153 S CB -0.010 63.335 63.200 0.242 0.000 0.999 153 S HN 0.036 nan 8.310 nan 0.000 0.742 154 A N 0.840 123.760 122.820 0.168 0.000 1.915 154 A HA 0.020 4.207 4.320 -0.222 0.000 0.220 154 A C 1.623 179.268 177.584 0.101 0.000 1.198 154 A CA 2.502 54.647 52.037 0.179 0.000 0.647 154 A CB -1.157 17.957 19.000 0.191 0.000 0.825 154 A HN 1.096 nan 8.150 nan 0.000 0.456 155 A N -1.072 121.753 122.820 0.008 0.000 2.637 155 A HA 0.565 4.752 4.320 -0.222 0.000 0.293 155 A C 1.050 178.603 177.584 -0.051 0.000 1.216 155 A CA 0.567 52.557 52.037 -0.077 0.000 0.956 155 A CB -0.710 18.216 19.000 -0.124 0.000 1.174 155 A HN 0.802 nan 8.150 nan 0.000 0.525 156 G N -0.898 107.889 108.800 -0.021 0.000 2.525 156 G HA2 0.370 4.197 3.960 -0.222 0.000 0.276 156 G HA3 0.370 4.197 3.960 -0.222 0.000 0.276 156 G C 1.188 176.014 174.900 -0.123 0.000 1.388 156 G CA 0.132 45.191 45.100 -0.068 0.000 1.050 156 G HN 0.532 nan 8.290 nan 0.000 0.520 157 G N -0.721 107.938 108.800 -0.236 0.000 2.442 157 G HA2 -0.187 3.640 3.960 -0.222 0.000 0.219 157 G HA3 -0.187 3.640 3.960 -0.222 0.000 0.219 157 G C 1.315 176.141 174.900 -0.124 0.000 1.141 157 G CA 1.516 46.506 45.100 -0.183 0.000 0.763 157 G HN 0.483 nan 8.290 nan 0.000 0.554 158 D N 0.068 120.440 120.400 -0.045 0.000 2.097 158 D HA -0.039 4.468 4.640 -0.222 0.000 0.197 158 D C 2.779 178.986 176.300 -0.154 0.000 0.984 158 D CA 1.363 55.396 54.000 0.055 0.000 0.826 158 D CB -0.636 40.256 40.800 0.154 0.000 0.973 158 D HN 0.190 nan 8.370 nan 0.000 0.460 159 T N 0.747 115.220 114.554 -0.136 0.000 2.708 159 T HA -0.127 4.090 4.350 -0.222 0.000 0.266 159 T C 1.994 176.562 174.700 -0.220 0.000 1.037 159 T CA 1.630 63.637 62.100 -0.154 0.000 1.146 159 T CB -0.356 68.498 68.868 -0.023 0.000 0.865 159 T HN 0.181 nan 8.240 nan 0.000 0.435 160 A N 1.971 124.658 122.820 -0.221 0.000 1.883 160 A HA -0.147 4.040 4.320 -0.222 0.000 0.217 160 A C 2.605 179.850 177.584 -0.566 0.000 1.186 160 A CA 2.458 54.334 52.037 -0.268 0.000 0.624 160 A CB -1.023 17.904 19.000 -0.121 0.000 0.822 160 A HN 0.623 nan 8.150 nan 0.000 0.444 161 S N 0.036 115.219 115.700 -0.861 0.000 2.402 161 S HA 0.089 4.426 4.470 -0.222 0.000 0.229 161 S C 2.068 176.427 174.600 -0.401 0.000 1.021 161 S CA 1.281 58.872 58.200 -1.016 0.000 0.974 161 S CB -0.625 62.142 63.200 -0.722 0.000 0.800 161 S HN 0.885 nan 8.310 nan 0.000 0.484 162 A N 2.193 124.692 122.820 -0.535 0.000 1.873 162 A HA 0.204 4.391 4.320 -0.222 0.000 0.215 162 A C 2.318 179.716 177.584 -0.310 0.000 1.186 162 A CA 1.257 52.828 52.037 -0.776 0.000 0.616 162 A CB -0.861 17.451 19.000 -1.147 0.000 0.823 162 A HN 0.515 nan 8.150 nan 0.000 0.442 163 L N -0.679 120.427 121.223 -0.194 0.000 2.083 163 L HA -0.202 4.005 4.340 -0.222 0.000 0.209 163 L C 3.092 179.913 176.870 -0.082 0.000 1.083 163 L CA 1.023 55.898 54.840 0.058 0.000 0.752 163 L CB -0.586 41.518 42.059 0.076 0.000 0.899 163 L HN 0.447 nan 8.230 nan 0.000 0.433 164 A N 0.175 122.870 122.820 -0.208 0.000 1.902 164 A HA -0.176 4.011 4.320 -0.222 0.000 0.217 164 A C 2.482 179.809 177.584 -0.428 0.000 1.181 164 A CA 1.739 53.611 52.037 -0.275 0.000 0.623 164 A CB -0.676 18.184 19.000 -0.233 0.000 0.818 164 A HN 0.402 nan 8.150 nan 0.000 0.443 165 A N -1.958 120.666 122.820 -0.326 0.000 2.121 165 A HA 0.348 4.535 4.320 -0.222 0.000 0.218 165 A C 1.841 179.276 177.584 -0.247 0.000 1.154 165 A CA 1.556 53.419 52.037 -0.290 0.000 0.679 165 A CB -0.855 18.148 19.000 0.005 0.000 0.795 165 A HN 1.994 nan 8.150 nan 0.000 0.458 166 G N -2.692 105.934 108.800 -0.289 0.000 2.135 166 G HA2 -0.170 3.657 3.960 -0.222 0.000 0.183 166 G HA3 -0.170 3.657 3.960 -0.222 0.000 0.183 166 G C -0.102 174.821 174.900 0.038 0.000 1.004 166 G CA -0.199 44.660 45.100 -0.402 0.000 0.677 166 G HN 0.643 nan 8.290 nan 0.000 0.512 167 C N 0.992 120.395 119.300 0.171 0.000 2.329 167 C HA 0.653 4.980 4.460 -0.222 0.000 0.329 167 C C -1.483 173.619 174.990 0.185 0.000 1.275 167 C CA -1.558 57.566 59.018 0.177 0.000 1.726 167 C CB 1.472 29.199 27.740 -0.022 0.000 2.291 167 C HN 0.340 nan 8.230 nan 0.000 0.514 168 P HA 0.311 nan 4.420 nan 0.000 0.272 168 P C -0.924 176.276 177.300 -0.166 0.000 1.230 168 P CA -0.019 62.974 63.100 -0.177 0.000 0.788 168 P CB 0.527 32.122 31.700 -0.175 0.000 0.949 169 V N 3.563 123.362 119.914 -0.192 0.000 2.656 169 V HA 0.431 4.418 4.120 -0.222 0.000 0.307 169 V C -0.026 175.854 176.094 -0.357 0.000 1.051 169 V CA -0.430 61.740 62.300 -0.216 0.000 0.893 169 V CB 1.751 33.521 31.823 -0.089 0.000 0.999 169 V HN 0.362 nan 8.190 nan 0.000 0.426 170 I N 4.550 124.912 120.570 -0.347 0.000 2.410 170 I HA 0.434 4.471 4.170 -0.222 0.000 0.286 170 I C -0.666 175.218 176.117 -0.388 0.000 1.009 170 I CA -0.739 60.312 61.300 -0.416 0.000 1.111 170 I CB 2.010 39.822 38.000 -0.313 0.000 1.262 170 I HN 0.259 nan 8.210 nan 0.000 0.443 171 V N 6.559 126.200 119.914 -0.455 0.000 2.407 171 V HA 0.274 4.262 4.120 -0.222 0.000 0.278 171 V C 0.414 176.318 176.094 -0.317 0.000 1.037 171 V CA -0.708 61.401 62.300 -0.319 0.000 0.900 171 V CB 1.640 33.367 31.823 -0.160 0.000 0.983 171 V HN 0.505 nan 8.190 nan 0.000 0.459 172 K N 4.356 124.489 120.400 -0.445 0.000 2.231 172 K HA 0.286 4.473 4.320 -0.222 0.000 0.275 172 K C 0.473 176.925 176.600 -0.246 0.000 1.105 172 K CA -0.179 55.855 56.287 -0.422 0.000 0.931 172 K CB 0.637 32.646 32.500 -0.818 0.000 1.296 172 K HN 0.875 nan 8.250 nan 0.000 0.446 173 G N 3.784 112.511 108.800 -0.121 0.000 2.265 173 G HA2 -0.119 3.708 3.960 -0.222 0.000 0.240 173 G HA3 -0.119 3.708 3.960 -0.222 0.000 0.240 173 G C -0.081 174.771 174.900 -0.079 0.000 1.270 173 G CA -0.075 44.990 45.100 -0.059 0.000 0.901 173 G HN 0.682 nan 8.290 nan 0.000 0.507 174 H N 1.729 120.673 119.070 -0.209 0.000 2.886 174 H HA 0.028 4.453 4.556 -0.219 0.000 0.329 174 H C 1.922 177.074 175.328 -0.294 0.000 1.044 174 H CA 0.863 56.752 56.048 -0.266 0.000 1.456 174 H CB 1.027 30.537 29.762 -0.419 0.000 1.464 174 H HN 0.559 nan 8.280 nan 0.000 0.573 175 T N 1.068 115.609 114.554 -0.022 0.000 3.051 175 T HA -0.028 4.189 4.350 -0.222 0.000 0.269 175 T C 1.843 176.642 174.700 0.165 0.000 1.127 175 T CA 0.627 62.768 62.100 0.070 0.000 1.107 175 T CB -0.062 68.751 68.868 -0.092 0.000 0.898 175 T HN 0.517 nan 8.240 nan 0.000 0.517 176 A N 2.201 125.171 122.820 0.250 0.000 2.119 176 A HA 0.044 4.231 4.320 -0.222 0.000 0.216 176 A C 1.398 178.987 177.584 0.008 0.000 1.152 176 A CA 0.769 52.841 52.037 0.057 0.000 0.708 176 A CB -0.485 18.444 19.000 -0.119 0.000 0.805 176 A HN 0.927 nan 8.150 nan 0.000 0.460 177 H N -3.442 115.631 119.070 0.004 0.000 2.946 177 H HA 0.218 4.640 4.556 -0.224 0.000 0.217 177 H C -2.605 172.644 175.328 -0.132 0.000 1.393 177 H CA -0.749 55.262 56.048 -0.062 0.000 1.306 177 H CB -0.208 29.515 29.762 -0.065 0.000 2.062 177 H HN 0.234 nan 8.280 nan 0.000 0.520 178 P HA -0.117 nan 4.420 nan 0.000 0.216 178 P C 1.730 178.616 177.300 -0.691 0.000 1.150 178 P CA 1.849 64.562 63.100 -0.645 0.000 0.837 178 P CB -0.109 30.857 31.700 -1.223 0.000 0.786 179 G N -0.352 108.156 108.800 -0.487 0.000 2.408 179 G HA2 -0.190 3.637 3.960 -0.222 0.000 0.217 179 G HA3 -0.190 3.637 3.960 -0.222 0.000 0.217 179 G C 1.554 176.503 174.900 0.082 0.000 1.150 179 G CA 1.336 46.469 45.100 0.054 0.000 0.776 179 G HN 0.198 nan 8.290 nan 0.000 0.542 180 T N 1.318 115.912 114.554 0.067 0.000 2.708 180 T HA -0.106 4.111 4.350 -0.222 0.000 0.266 180 T C 2.854 177.610 174.700 0.094 0.000 1.037 180 T CA 1.584 63.731 62.100 0.079 0.000 1.146 180 T CB -0.305 68.591 68.868 0.047 0.000 0.865 180 T HN 0.260 nan 8.240 nan 0.000 0.435 181 S N 1.112 116.895 115.700 0.137 0.000 2.368 181 S HA -0.168 4.169 4.470 -0.222 0.000 0.225 181 S C 2.139 176.807 174.600 0.113 0.000 1.030 181 S CA 1.157 59.440 58.200 0.138 0.000 0.999 181 S CB -0.372 62.907 63.200 0.132 0.000 0.844 181 S HN 0.528 nan 8.310 nan 0.000 0.459 182 Q N 0.663 120.522 119.800 0.099 0.000 2.061 182 Q HA -0.113 4.094 4.340 -0.222 0.000 0.204 182 Q C 2.065 178.134 176.000 0.115 0.000 0.984 182 Q CA 1.468 57.356 55.803 0.141 0.000 0.846 182 Q CB -0.250 28.631 28.738 0.238 0.000 0.902 182 Q HN 0.532 nan 8.270 nan 0.000 0.421 183 I N -0.142 120.487 120.570 0.099 0.000 2.226 183 I HA -0.275 3.762 4.170 -0.222 0.000 0.245 183 I C 2.231 178.372 176.117 0.040 0.000 1.100 183 I CA 0.820 62.160 61.300 0.066 0.000 1.374 183 I CB -0.223 37.811 38.000 0.058 0.000 1.057 183 I HN 0.108 nan 8.210 nan 0.000 0.413 184 V N 1.049 120.986 119.914 0.039 0.000 2.343 184 V HA -0.299 3.688 4.120 -0.222 0.000 0.247 184 V C 2.702 178.778 176.094 -0.030 0.000 1.051 184 V CA 1.989 64.287 62.300 -0.004 0.000 1.036 184 V CB -1.018 30.808 31.823 0.005 0.000 0.654 184 V HN 0.507 nan 8.190 nan 0.000 0.451 185 A N -0.519 122.338 122.820 0.063 0.000 1.933 185 A HA -0.230 3.957 4.320 -0.222 0.000 0.218 185 A C 2.175 179.797 177.584 0.064 0.000 1.175 185 A CA 1.758 53.877 52.037 0.137 0.000 0.628 185 A CB -0.432 18.734 19.000 0.276 0.000 0.814 185 A HN 0.620 nan 8.150 nan 0.000 0.444 186 E N -0.861 119.369 120.200 0.050 0.000 2.110 186 E HA -0.170 4.047 4.350 -0.222 0.000 0.193 186 E C 2.015 178.612 176.600 -0.005 0.000 0.988 186 E CA 1.183 57.602 56.400 0.031 0.000 0.804 186 E CB -0.335 29.386 29.700 0.035 0.000 0.745 186 E HN 0.699 nan 8.360 nan 0.000 0.458 187 C N 0.471 119.754 119.300 -0.030 0.000 2.446 187 C HA -0.091 4.236 4.460 -0.222 0.000 0.277 187 C C 2.551 177.487 174.990 -0.090 0.000 1.275 187 C CA 0.324 59.310 59.018 -0.054 0.000 1.727 187 C CB -0.695 27.008 27.740 -0.062 0.000 2.010 187 C HN 0.403 nan 8.230 nan 0.000 0.486 188 I N 0.761 121.235 120.570 -0.160 0.000 2.315 188 I HA -0.196 3.841 4.170 -0.222 0.000 0.248 188 I C 2.690 178.741 176.117 -0.109 0.000 1.117 188 I CA 1.555 62.715 61.300 -0.233 0.000 1.404 188 I CB -0.642 37.007 38.000 -0.584 0.000 1.071 188 I HN 0.481 nan 8.210 nan 0.000 0.419 189 E N 0.703 120.878 120.200 -0.040 0.000 2.077 189 E HA -0.274 3.943 4.350 -0.222 0.000 0.193 189 E C 2.215 178.808 176.600 -0.012 0.000 0.989 189 E CA 1.162 57.565 56.400 0.004 0.000 0.800 189 E CB 0.110 29.828 29.700 0.030 0.000 0.746 189 E HN 0.369 nan 8.360 nan 0.000 0.452 190 Q N 0.088 119.877 119.800 -0.019 0.000 2.084 190 Q HA -0.096 4.111 4.340 -0.222 0.000 0.202 190 Q C 2.061 178.049 176.000 -0.020 0.000 0.978 190 Q CA 1.478 57.272 55.803 -0.016 0.000 0.844 190 Q CB -0.463 28.266 28.738 -0.016 0.000 0.898 190 Q HN 0.392 nan 8.270 nan 0.000 0.426 191 A N 0.489 123.288 122.820 -0.035 0.000 1.902 191 A HA -0.143 4.044 4.320 -0.222 0.000 0.217 191 A C 2.251 179.823 177.584 -0.019 0.000 1.181 191 A CA 1.159 53.177 52.037 -0.032 0.000 0.623 191 A CB -0.717 18.251 19.000 -0.053 0.000 0.818 191 A HN 0.352 nan 8.150 nan 0.000 0.443 192 L N -0.858 120.351 121.223 -0.024 0.000 2.093 192 L HA -0.191 4.016 4.340 -0.222 0.000 0.208 192 L C 2.587 179.455 176.870 -0.004 0.000 1.085 192 L CA 1.583 56.415 54.840 -0.013 0.000 0.755 192 L CB -0.385 41.662 42.059 -0.021 0.000 0.904 192 L HN 0.361 nan 8.230 nan 0.000 0.435 193 K N -0.284 120.113 120.400 -0.005 0.000 2.026 193 K HA -0.198 3.989 4.320 -0.222 0.000 0.208 193 K C 2.163 178.764 176.600 0.002 0.000 1.048 193 K CA 1.350 57.637 56.287 -0.001 0.000 0.929 193 K CB -0.133 32.366 32.500 -0.001 0.000 0.713 193 K HN 0.359 nan 8.250 nan 0.000 0.439 194 Q N 0.459 120.259 119.800 0.000 0.000 2.124 194 Q HA -0.138 4.069 4.340 -0.222 0.000 0.202 194 Q C 1.592 177.597 176.000 0.008 0.000 0.977 194 Q CA 1.046 56.851 55.803 0.003 0.000 0.850 194 Q CB 0.157 28.895 28.738 -0.000 0.000 0.901 194 Q HN 0.239 nan 8.270 nan 0.000 0.429 195 E N 0.367 120.574 120.200 0.011 0.000 2.481 195 E HA -0.057 4.160 4.350 -0.222 0.000 0.195 195 E C -0.225 176.390 176.600 0.024 0.000 1.047 195 E CA 0.202 56.615 56.400 0.021 0.000 0.867 195 E CB 0.267 29.986 29.700 0.031 0.000 0.858 195 E HN 0.339 nan 8.360 nan 0.000 0.513 196 Q N 0.063 119.873 119.800 0.017 0.000 2.460 196 Q HA -0.189 4.019 4.340 -0.222 0.000 0.311 196 Q C -0.634 175.380 176.000 0.023 0.000 1.396 196 Q CA 0.381 56.194 55.803 0.017 0.000 0.838 196 Q CB -1.836 26.912 28.738 0.017 0.000 1.140 196 Q HN 0.234 nan 8.270 nan 0.000 0.415 197 L N -0.501 120.735 121.223 0.021 0.000 2.323 197 L HA 0.635 4.842 4.340 -0.222 0.000 0.265 197 L C -2.043 174.824 176.870 -0.005 0.000 1.012 197 L CA -2.560 52.295 54.840 0.025 0.000 0.820 197 L CB 1.319 43.408 42.059 0.050 0.000 1.334 197 L HN -0.128 nan 8.230 nan 0.000 0.427 198 P HA -0.014 nan 4.420 nan 0.000 0.264 198 P C -0.068 177.193 177.300 -0.065 0.000 1.183 198 P CA -0.123 62.953 63.100 -0.041 0.000 0.763 198 P CB 0.479 32.150 31.700 -0.048 0.000 0.807 199 Q N 2.572 122.343 119.800 -0.048 0.000 2.224 199 Q HA -0.112 4.095 4.340 -0.222 0.000 0.203 199 Q C 1.873 177.832 176.000 -0.069 0.000 0.970 199 Q CA 1.480 57.259 55.803 -0.041 0.000 0.865 199 Q CB -0.667 28.057 28.738 -0.025 0.000 0.922 199 Q HN 0.577 nan 8.270 nan 0.000 0.445 200 A N 0.415 123.177 122.820 -0.097 0.000 2.225 200 A HA -0.084 4.103 4.320 -0.222 0.000 0.215 200 A C 1.965 179.434 177.584 -0.191 0.000 1.164 200 A CA 0.411 52.369 52.037 -0.132 0.000 0.710 200 A CB -0.630 18.301 19.000 -0.114 0.000 0.780 200 A HN 0.308 nan 8.150 nan 0.000 0.473 201 I N -2.367 118.063 120.570 -0.233 0.000 2.394 201 I HA -0.071 3.966 4.170 -0.222 0.000 0.251 201 I C 0.606 176.579 176.117 -0.239 0.000 1.136 201 I CA 0.906 61.956 61.300 -0.417 0.000 1.425 201 I CB 0.022 37.664 38.000 -0.596 0.000 1.079 201 I HN 0.432 nan 8.210 nan 0.000 0.425 202 F N 0.077 119.871 119.950 -0.261 0.000 2.574 202 F HA 0.433 4.827 4.527 -0.223 0.000 0.313 202 F C -0.838 174.872 175.800 -0.150 0.000 1.130 202 F CA -0.380 57.500 58.000 -0.199 0.000 0.936 202 F CB 1.698 40.598 39.000 -0.166 0.000 1.219 202 F HN -0.402 nan 8.300 nan 0.000 0.445 203 T N 6.876 120.838 114.554 -0.988 0.000 2.921 203 T HA 0.492 4.709 4.350 -0.222 0.000 0.297 203 T C -1.738 172.458 174.700 -0.839 0.000 1.013 203 T CA -0.482 61.210 62.100 -0.680 0.000 0.990 203 T CB 1.667 70.297 68.868 -0.396 0.000 1.023 203 T HN 0.619 nan 8.240 nan 0.000 0.447 204 L N 4.332 125.279 121.223 -0.460 0.000 2.296 204 L HA 0.692 4.899 4.340 -0.222 0.000 0.286 204 L C -1.389 175.432 176.870 -0.083 0.000 1.023 204 L CA -0.462 54.229 54.840 -0.247 0.000 0.812 204 L CB 0.484 42.551 42.059 0.014 0.000 1.223 204 L HN 0.602 nan 8.230 nan 0.000 0.421 205 L N 4.892 126.076 121.223 -0.065 0.000 2.334 205 L HA 0.614 4.821 4.340 -0.222 0.000 0.273 205 L C -0.288 176.677 176.870 0.158 0.000 1.013 205 L CA -0.695 54.229 54.840 0.141 0.000 0.816 205 L CB 1.751 43.813 42.059 0.005 0.000 1.278 205 L HN 0.592 nan 8.230 nan 0.000 0.431 206 Q N 1.325 121.267 119.800 0.238 0.000 2.433 206 Q HA 0.809 5.016 4.340 -0.222 0.000 0.279 206 Q C -0.572 175.425 176.000 -0.005 0.000 1.105 206 Q CA -0.840 54.999 55.803 0.060 0.000 0.815 206 Q CB 3.161 31.946 28.738 0.078 0.000 1.403 206 Q HN 0.833 nan 8.270 nan 0.000 0.435 207 G N 1.290 110.066 108.800 -0.040 0.000 2.322 207 G HA2 -0.005 3.822 3.960 -0.222 0.000 0.289 207 G HA3 -0.005 3.822 3.960 -0.222 0.000 0.289 207 G C -0.590 173.959 174.900 -0.585 0.000 1.687 207 G CA -0.642 44.280 45.100 -0.297 0.000 0.944 207 G HN 0.610 nan 8.290 nan 0.000 0.718 208 N N -0.216 118.004 118.700 -0.800 0.000 2.235 208 N HA 0.058 4.665 4.740 -0.222 0.000 0.209 208 N C 0.224 175.569 175.510 -0.275 0.000 1.122 208 N CA -0.016 52.676 53.050 -0.597 0.000 0.845 208 N CB 0.646 38.704 38.487 -0.716 0.000 1.004 208 N HN 0.652 nan 8.380 nan 0.000 0.499 209 Q N 0.645 120.328 119.800 -0.194 0.000 2.340 209 Q HA 0.325 4.532 4.340 -0.222 0.000 0.259 209 Q C 0.438 176.406 176.000 -0.053 0.000 0.964 209 Q CA -0.768 54.980 55.803 -0.093 0.000 0.900 209 Q CB 1.641 30.344 28.738 -0.058 0.000 1.228 209 Q HN -0.017 nan 8.270 nan 0.000 0.449 210 R N 1.459 121.940 120.500 -0.031 0.000 2.211 210 R HA -0.172 4.035 4.340 -0.222 0.000 0.240 210 R C 1.675 177.994 176.300 0.032 0.000 1.144 210 R CA 1.185 57.289 56.100 0.007 0.000 0.992 210 R CB -0.763 29.541 30.300 0.006 0.000 0.869 210 R HN 0.714 nan 8.270 nan 0.000 0.462 211 A N 1.154 123.985 122.820 0.018 0.000 2.024 211 A HA -0.168 4.019 4.320 -0.222 0.000 0.220 211 A C 2.147 179.760 177.584 0.048 0.000 1.164 211 A CA 1.132 53.187 52.037 0.029 0.000 0.643 211 A CB -0.416 18.595 19.000 0.019 0.000 0.806 211 A HN 0.243 nan 8.150 nan 0.000 0.451 212 L N 0.052 121.302 121.223 0.044 0.000 1.976 212 L HA -0.038 4.169 4.340 -0.222 0.000 0.209 212 L C 2.420 179.350 176.870 0.099 0.000 1.071 212 L CA 2.616 57.488 54.840 0.054 0.000 0.746 212 L CB -1.270 40.807 42.059 0.030 0.000 0.890 212 L HN 0.269 nan 8.230 nan 0.000 0.432 213 G N -1.637 107.263 108.800 0.167 0.000 2.442 213 G HA2 -0.283 3.544 3.960 -0.222 0.000 0.219 213 G HA3 -0.283 3.544 3.960 -0.222 0.000 0.219 213 G C 1.464 176.561 174.900 0.327 0.000 1.141 213 G CA 0.874 46.199 45.100 0.375 0.000 0.763 213 G HN 0.575 nan 8.290 nan 0.000 0.554 214 Q N 0.137 120.042 119.800 0.176 0.000 2.079 214 Q HA 0.100 4.307 4.340 -0.222 0.000 0.200 214 Q C 2.975 179.042 176.000 0.111 0.000 0.974 214 Q CA 1.297 57.169 55.803 0.115 0.000 0.840 214 Q CB -0.242 28.530 28.738 0.058 0.000 0.898 214 Q HN 0.470 nan 8.270 nan 0.000 0.430 215 A N 0.595 123.476 122.820 0.101 0.000 1.930 215 A HA -0.157 4.030 4.320 -0.222 0.000 0.217 215 A C 2.016 179.679 177.584 0.132 0.000 1.175 215 A CA 1.034 53.129 52.037 0.096 0.000 0.627 215 A CB -0.551 18.496 19.000 0.079 0.000 0.815 215 A HN 0.352 nan 8.150 nan 0.000 0.443 216 L N -0.071 121.233 121.223 0.135 0.000 2.017 216 L HA -0.094 4.113 4.340 -0.222 0.000 0.208 216 L C 2.336 179.316 176.870 0.183 0.000 1.073 216 L CA 1.910 56.823 54.840 0.122 0.000 0.745 216 L CB -0.509 41.589 42.059 0.064 0.000 0.894 216 L HN 0.140 nan 8.230 nan 0.000 0.432 217 V N -1.017 119.046 119.914 0.248 0.000 2.515 217 V HA -0.190 3.797 4.120 -0.222 0.000 0.250 217 V C 2.270 178.449 176.094 0.143 0.000 1.058 217 V CA 1.788 64.234 62.300 0.245 0.000 1.064 217 V CB -0.459 31.521 31.823 0.262 0.000 0.675 217 V HN 0.499 nan 8.190 nan 0.000 0.461 218 S N -2.374 113.392 115.700 0.110 0.000 2.548 218 S HA 0.061 4.398 4.470 -0.222 0.000 0.215 218 S C 0.841 175.469 174.600 0.046 0.000 0.976 218 S CA -0.242 57.988 58.200 0.051 0.000 0.908 218 S CB -0.310 62.903 63.200 0.021 0.000 0.781 218 S HN 0.627 nan 8.310 nan 0.000 0.519 219 H N 4.052 123.132 119.070 0.018 0.000 2.975 219 H HA 0.073 4.496 4.556 -0.222 0.000 0.303 219 H C -1.649 173.679 175.328 -0.000 0.000 1.023 219 H CA -1.283 54.767 56.048 0.004 0.000 1.473 219 H CB 1.235 30.995 29.762 -0.002 0.000 1.498 219 H HN 0.065 nan 8.280 nan 0.000 0.549 220 P HA -0.170 nan 4.420 nan 0.000 0.220 220 P C 0.724 178.086 177.300 0.104 0.000 1.144 220 P CA 1.077 64.154 63.100 -0.038 0.000 0.800 220 P CB 0.513 32.137 31.700 -0.127 0.000 0.772 221 E N -0.785 119.613 120.200 0.331 0.000 2.435 221 E HA 0.058 4.275 4.350 -0.222 0.000 0.195 221 E C 0.996 177.668 176.600 0.121 0.000 1.029 221 E CA 0.068 56.594 56.400 0.209 0.000 0.865 221 E CB -0.033 29.780 29.700 0.189 0.000 0.833 221 E HN 0.306 nan 8.360 nan 0.000 0.510 222 I N 1.955 122.611 120.570 0.142 0.000 2.416 222 I HA 0.002 4.040 4.170 -0.222 0.000 0.288 222 I C 1.232 177.400 176.117 0.085 0.000 1.051 222 I CA 0.128 61.475 61.300 0.080 0.000 1.375 222 I CB 0.925 38.981 38.000 0.094 0.000 1.407 222 I HN -0.235 nan 8.210 nan 0.000 0.516 223 K N 4.484 124.935 120.400 0.085 0.000 2.358 223 K HA 0.499 4.686 4.320 -0.222 0.000 0.200 223 K C 0.037 176.730 176.600 0.154 0.000 1.030 223 K CA 0.071 56.420 56.287 0.102 0.000 1.097 223 K CB 1.036 33.598 32.500 0.103 0.000 0.862 223 K HN 0.697 nan 8.250 nan 0.000 0.534 224 A N -0.114 122.823 122.820 0.195 0.000 2.567 224 A HA 0.593 4.780 4.320 -0.222 0.000 0.291 224 A C -1.538 176.239 177.584 0.321 0.000 1.048 224 A CA -0.633 51.599 52.037 0.325 0.000 0.661 224 A CB 1.204 20.561 19.000 0.595 0.000 1.288 224 A HN -0.148 nan 8.150 nan 0.000 0.424 225 V N 0.005 120.142 119.914 0.372 0.000 2.789 225 V HA 0.811 4.798 4.120 -0.222 0.000 0.311 225 V C 0.482 176.760 176.094 0.306 0.000 1.073 225 V CA -0.024 62.416 62.300 0.233 0.000 0.921 225 V CB 2.169 34.011 31.823 0.032 0.000 1.009 225 V HN 1.657 nan 8.190 nan 0.000 0.426 226 G N 2.305 111.306 108.800 0.335 0.000 2.478 226 G HA2 0.713 4.540 3.960 -0.222 0.000 0.317 226 G HA3 0.713 4.540 3.960 -0.222 0.000 0.317 226 G C -1.665 173.439 174.900 0.341 0.000 1.259 226 G CA -0.370 44.989 45.100 0.432 0.000 0.933 226 G HN 0.546 nan 8.290 nan 0.000 0.478 227 F N 1.784 121.786 119.950 0.086 0.000 2.591 227 F HA 0.719 5.113 4.527 -0.220 0.000 0.309 227 F C -0.650 175.270 175.800 0.200 0.000 1.098 227 F CA -0.562 57.514 58.000 0.127 0.000 0.937 227 F CB 2.648 41.612 39.000 -0.060 0.000 1.250 227 F HN 0.385 nan 8.300 nan 0.000 0.447 228 T N 4.304 118.538 114.554 -0.533 0.000 2.965 228 T HA 0.747 4.964 4.350 -0.222 0.000 0.306 228 T C -0.259 174.045 174.700 -0.661 0.000 0.991 228 T CA -0.324 61.603 62.100 -0.287 0.000 1.001 228 T CB 1.031 69.915 68.868 0.026 0.000 0.984 228 T HN 1.116 nan 8.240 nan 0.000 0.446 229 G N 1.875 110.444 108.800 -0.385 0.000 2.393 229 G HA2 0.526 4.353 3.960 -0.222 0.000 0.264 229 G HA3 0.526 4.353 3.960 -0.222 0.000 0.264 229 G C -0.582 174.419 174.900 0.168 0.000 1.221 229 G CA -0.219 44.777 45.100 -0.173 0.000 0.912 229 G HN 0.881 nan 8.290 nan 0.000 0.483 230 S N -0.525 115.306 115.700 0.219 0.000 2.593 230 S HA 0.396 4.733 4.470 -0.222 0.000 0.269 230 S C 1.464 176.173 174.600 0.180 0.000 1.334 230 S CA 0.266 58.557 58.200 0.151 0.000 1.015 230 S CB 1.505 64.766 63.200 0.102 0.000 0.912 230 S HN 1.117 nan 8.310 nan 0.000 0.541 231 V N 2.948 122.910 119.914 0.079 0.000 2.358 231 V HA -0.020 3.967 4.120 -0.222 0.000 0.246 231 V C 2.748 178.849 176.094 0.013 0.000 1.047 231 V CA 2.183 64.495 62.300 0.020 0.000 1.035 231 V CB -1.877 29.938 31.823 -0.014 0.000 0.658 231 V HN 1.047 nan 8.190 nan 0.000 0.452 232 G N 0.389 109.206 108.800 0.029 0.000 2.480 232 G HA2 -0.158 3.669 3.960 -0.222 0.000 0.216 232 G HA3 -0.158 3.669 3.960 -0.222 0.000 0.216 232 G C 1.632 176.522 174.900 -0.016 0.000 1.200 232 G CA 1.000 46.108 45.100 0.013 0.000 0.782 232 G HN 0.572 nan 8.290 nan 0.000 0.554 233 G N 0.582 109.387 108.800 0.009 0.000 2.402 233 G HA2 0.122 3.950 3.960 -0.222 0.000 0.216 233 G HA3 0.122 3.950 3.960 -0.222 0.000 0.216 233 G C 1.790 176.541 174.900 -0.249 0.000 1.162 233 G CA 1.343 46.420 45.100 -0.038 0.000 0.777 233 G HN 0.622 nan 8.290 nan 0.000 0.539 234 G N 0.714 109.327 108.800 -0.311 0.000 2.446 234 G HA2 -0.242 3.585 3.960 -0.222 0.000 0.217 234 G HA3 -0.242 3.585 3.960 -0.222 0.000 0.217 234 G C 1.898 176.537 174.900 -0.434 0.000 1.168 234 G CA 1.232 45.869 45.100 -0.771 0.000 0.771 234 G HN 0.433 nan 8.290 nan 0.000 0.551 235 R N 1.175 121.556 120.500 -0.198 0.000 2.092 235 R HA 0.171 4.378 4.340 -0.222 0.000 0.231 235 R C 2.732 178.955 176.300 -0.128 0.000 1.119 235 R CA 1.663 57.698 56.100 -0.109 0.000 0.970 235 R CB -0.916 29.383 30.300 -0.001 0.000 0.864 235 R HN 0.248 nan 8.270 nan 0.000 0.440 236 A N 0.493 123.220 122.820 -0.154 0.000 1.877 236 A HA -0.106 4.081 4.320 -0.222 0.000 0.216 236 A C 2.243 179.701 177.584 -0.210 0.000 1.186 236 A CA 1.583 53.538 52.037 -0.137 0.000 0.620 236 A CB -0.664 18.273 19.000 -0.106 0.000 0.822 236 A HN 0.348 nan 8.150 nan 0.000 0.443 237 L N -2.066 118.959 121.223 -0.330 0.000 2.141 237 L HA -0.123 4.084 4.340 -0.222 0.000 0.209 237 L C 2.471 178.930 176.870 -0.685 0.000 1.094 237 L CA 1.397 56.008 54.840 -0.383 0.000 0.763 237 L CB -0.524 41.312 42.059 -0.372 0.000 0.908 237 L HN 0.535 nan 8.230 nan 0.000 0.437 238 F N 1.486 120.713 119.950 -1.205 0.000 2.102 238 F HA -0.222 4.172 4.527 -0.221 0.000 0.298 238 F C 2.358 177.887 175.800 -0.452 0.000 1.105 238 F CA 1.650 58.866 58.000 -1.307 0.000 1.239 238 F CB -0.244 38.214 39.000 -0.903 0.000 0.991 238 F HN 0.102 nan 8.300 nan 0.000 0.474 239 N N 0.815 119.386 118.700 -0.215 0.000 2.166 239 N HA -0.180 4.427 4.740 -0.222 0.000 0.186 239 N C 1.880 177.274 175.510 -0.194 0.000 1.019 239 N CA 1.403 54.355 53.050 -0.163 0.000 0.856 239 N CB -0.818 37.637 38.487 -0.054 0.000 0.993 239 N HN 0.329 nan 8.380 nan 0.000 0.426 240 L N 1.212 122.319 121.223 -0.192 0.000 2.017 240 L HA -0.050 4.157 4.340 -0.222 0.000 0.208 240 L C 2.089 178.865 176.870 -0.157 0.000 1.073 240 L CA 1.512 56.270 54.840 -0.137 0.000 0.745 240 L CB -0.956 41.042 42.059 -0.100 0.000 0.894 240 L HN 0.150 nan 8.230 nan 0.000 0.432 241 A N -1.709 120.979 122.820 -0.219 0.000 1.972 241 A HA -0.239 3.948 4.320 -0.222 0.000 0.219 241 A C 1.784 179.092 177.584 -0.459 0.000 1.169 241 A CA 1.872 53.762 52.037 -0.244 0.000 0.635 241 A CB -0.901 18.008 19.000 -0.152 0.000 0.810 241 A HN 0.685 nan 8.150 nan 0.000 0.446 242 H N -0.583 118.249 119.070 -0.396 0.000 2.551 242 H HA 0.161 4.584 4.556 -0.222 0.000 0.271 242 H C 1.474 176.682 175.328 -0.200 0.000 0.984 242 H CA 0.872 56.722 56.048 -0.330 0.000 1.164 242 H CB 0.254 29.724 29.762 -0.487 0.000 1.437 242 H HN 0.855 nan 8.280 nan 0.000 0.550 243 E N 0.321 120.454 120.200 -0.112 0.000 2.481 243 E HA 0.088 4.305 4.350 -0.222 0.000 0.198 243 E C 0.250 176.803 176.600 -0.079 0.000 1.027 243 E CA -0.298 56.056 56.400 -0.077 0.000 0.900 243 E CB 0.460 30.120 29.700 -0.067 0.000 0.993 243 E HN 0.183 nan 8.360 nan 0.000 0.482 244 R N 1.541 121.979 120.500 -0.103 0.000 2.784 244 R HA 0.066 4.273 4.340 -0.222 0.000 0.266 244 R C -1.565 174.691 176.300 -0.073 0.000 1.044 244 R CA -1.056 54.992 56.100 -0.086 0.000 1.151 244 R CB 0.009 30.250 30.300 -0.098 0.000 1.037 244 R HN -0.022 nan 8.270 nan 0.000 0.478 245 P HA -0.182 nan 4.420 nan 0.000 0.216 245 P C -0.378 176.893 177.300 -0.048 0.000 1.150 245 P CA 1.353 64.425 63.100 -0.048 0.000 0.837 245 P CB 0.233 31.907 31.700 -0.044 0.000 0.786 246 E N -0.366 119.801 120.200 -0.055 0.000 2.255 246 E HA 0.278 4.495 4.350 -0.222 0.000 0.245 246 E C -2.603 173.943 176.600 -0.089 0.000 0.909 246 E CA -2.864 53.504 56.400 -0.053 0.000 0.747 246 E CB 0.885 30.565 29.700 -0.033 0.000 1.215 246 E HN -0.021 nan 8.360 nan 0.000 0.424 247 P HA 0.073 nan 4.420 nan 0.000 0.267 247 P C -0.609 176.551 177.300 -0.234 0.000 1.200 247 P CA 0.229 63.185 63.100 -0.240 0.000 0.772 247 P CB 0.399 31.977 31.700 -0.203 0.000 0.855 248 I N -0.689 119.674 120.570 -0.346 0.000 2.785 248 I HA 0.664 4.701 4.170 -0.222 0.000 0.302 248 I C -2.836 173.149 176.117 -0.219 0.000 1.069 248 I CA -3.576 57.615 61.300 -0.181 0.000 1.045 248 I CB 2.199 40.170 38.000 -0.048 0.000 1.236 248 I HN 0.042 nan 8.210 nan 0.000 0.429 249 P HA 0.132 nan 4.420 nan 0.000 0.268 249 P C -1.341 175.904 177.300 -0.090 0.000 1.204 249 P CA 0.453 63.455 63.100 -0.165 0.000 0.768 249 P CB 0.106 31.697 31.700 -0.182 0.000 0.842 250 F N 4.143 123.952 119.950 -0.235 0.000 2.496 250 F HA 0.398 4.792 4.527 -0.223 0.000 0.341 250 F C -1.110 174.653 175.800 -0.061 0.000 1.134 250 F CA -0.833 57.180 58.000 0.022 0.000 0.968 250 F CB 0.847 40.001 39.000 0.257 0.000 1.205 250 F HN 0.228 nan 8.300 nan 0.000 0.436 251 Y N 4.696 125.031 120.300 0.058 0.000 2.717 251 Y HA 0.540 4.956 4.550 -0.223 0.000 0.329 251 Y C 0.621 176.616 175.900 0.157 0.000 1.017 251 Y CA -0.952 57.236 58.100 0.147 0.000 1.275 251 Y CB 1.152 39.631 38.460 0.031 0.000 1.109 251 Y HN 0.685 nan 8.280 nan 0.000 0.511 252 G N 1.654 110.718 108.800 0.441 0.000 2.470 252 G HA2 0.529 4.356 3.960 -0.222 0.000 0.320 252 G HA3 0.529 4.356 3.960 -0.222 0.000 0.320 252 G C -1.046 174.099 174.900 0.408 0.000 1.245 252 G CA -0.767 44.652 45.100 0.532 0.000 0.935 252 G HN 0.329 nan 8.290 nan 0.000 0.476 253 E N 1.986 122.414 120.200 0.379 0.000 2.046 253 E HA 0.318 4.536 4.350 -0.222 0.000 0.279 253 E C 0.974 177.707 176.600 0.223 0.000 0.989 253 E CA -0.353 56.180 56.400 0.221 0.000 0.798 253 E CB 1.570 31.384 29.700 0.191 0.000 1.086 253 E HN 0.372 nan 8.360 nan 0.000 0.399 254 L N 1.273 122.569 121.223 0.122 0.000 2.463 254 L HA 0.456 4.663 4.340 -0.222 0.000 0.219 254 L C 0.975 177.866 176.870 0.035 0.000 1.088 254 L CA 0.196 55.092 54.840 0.094 0.000 0.849 254 L CB 0.097 42.128 42.059 -0.046 0.000 1.012 254 L HN 0.592 nan 8.230 nan 0.000 0.468 255 G N -0.347 108.458 108.800 0.009 0.000 2.350 255 G HA2 0.507 4.334 3.960 -0.222 0.000 0.304 255 G HA3 0.507 4.334 3.960 -0.222 0.000 0.304 255 G C -1.996 172.926 174.900 0.037 0.000 1.421 255 G CA -0.095 45.029 45.100 0.040 0.000 0.934 255 G HN 0.251 nan 8.290 nan 0.000 0.632 256 A N -0.900 121.976 122.820 0.093 0.000 2.549 256 A HA 0.733 4.920 4.320 -0.222 0.000 0.291 256 A C 0.181 177.858 177.584 0.154 0.000 1.034 256 A CA 0.070 52.171 52.037 0.107 0.000 0.655 256 A CB 0.383 19.439 19.000 0.093 0.000 1.299 256 A HN 2.204 nan 8.150 nan 0.000 0.427 257 I N -2.012 118.659 120.570 0.169 0.000 4.082 257 I HA 0.280 4.317 4.170 -0.222 0.000 0.337 257 I C -0.028 176.198 176.117 0.182 0.000 1.352 257 I CA -0.274 61.137 61.300 0.184 0.000 1.097 257 I CB -0.070 38.053 38.000 0.205 0.000 1.048 257 I HN 0.483 nan 8.210 nan 0.000 0.393 258 N N 3.025 121.834 118.700 0.183 0.000 2.629 258 N HA -0.114 4.493 4.740 -0.222 0.000 0.278 258 N C -2.179 173.443 175.510 0.186 0.000 1.102 258 N CA 0.542 53.705 53.050 0.189 0.000 0.759 258 N CB -1.004 37.604 38.487 0.202 0.000 0.911 258 N HN 0.429 nan 8.380 nan 0.000 0.553 259 P HA 0.005 nan 4.420 nan 0.000 0.265 259 P C -0.296 177.087 177.300 0.138 0.000 1.193 259 P CA 0.555 63.758 63.100 0.171 0.000 0.765 259 P CB 0.696 32.596 31.700 0.333 0.000 0.823 260 T N 4.020 118.550 114.554 -0.042 0.000 2.812 260 T HA 0.501 4.718 4.350 -0.222 0.000 0.282 260 T C -0.560 174.023 174.700 -0.195 0.000 0.990 260 T CA -0.092 62.013 62.100 0.008 0.000 0.960 260 T CB 0.339 69.250 68.868 0.072 0.000 0.948 260 T HN 0.095 nan 8.240 nan 0.000 0.438 261 F N 2.964 122.962 119.950 0.080 0.000 2.426 261 F HA 0.577 4.973 4.527 -0.218 0.000 0.348 261 F C 0.210 176.002 175.800 -0.013 0.000 1.124 261 F CA -1.151 56.864 58.000 0.025 0.000 1.008 261 F CB 0.933 39.951 39.000 0.031 0.000 1.139 261 F HN 0.330 nan 8.300 nan 0.000 0.452 262 I N 4.487 125.033 120.570 -0.039 0.000 2.382 262 I HA 0.300 4.337 4.170 -0.222 0.000 0.286 262 I C -0.742 175.298 176.117 -0.128 0.000 1.002 262 I CA -0.601 60.661 61.300 -0.064 0.000 1.135 262 I CB 1.035 38.847 38.000 -0.313 0.000 1.288 262 I HN 0.340 nan 8.210 nan 0.000 0.448 263 F N 7.300 127.236 119.950 -0.024 0.000 2.382 263 F HA 0.307 4.701 4.527 -0.222 0.000 0.331 263 F C -1.280 174.493 175.800 -0.044 0.000 1.121 263 F CA -1.639 56.353 58.000 -0.013 0.000 1.183 263 F CB 0.321 39.336 39.000 0.025 0.000 1.207 263 F HN 0.313 nan 8.300 nan 0.000 0.555 264 P HA -0.222 nan 4.420 nan 0.000 0.216 264 P C 1.622 178.963 177.300 0.069 0.000 1.153 264 P CA 2.404 65.537 63.100 0.055 0.000 0.858 264 P CB -0.014 31.718 31.700 0.053 0.000 0.789 265 S N -0.743 115.017 115.700 0.101 0.000 2.399 265 S HA -0.141 4.196 4.470 -0.222 0.000 0.231 265 S C 2.056 176.690 174.600 0.058 0.000 1.022 265 S CA 1.216 59.454 58.200 0.063 0.000 0.983 265 S CB -1.369 61.857 63.200 0.042 0.000 0.803 265 S HN 0.126 nan 8.310 nan 0.000 0.480 266 A N 1.820 124.688 122.820 0.080 0.000 1.930 266 A HA 0.172 4.359 4.320 -0.222 0.000 0.217 266 A C 2.344 179.958 177.584 0.050 0.000 1.175 266 A CA 1.450 53.525 52.037 0.064 0.000 0.627 266 A CB -0.692 18.360 19.000 0.085 0.000 0.815 266 A HN 0.580 nan 8.150 nan 0.000 0.443 267 M N -1.194 118.426 119.600 0.034 0.000 2.175 267 M HA -0.109 4.238 4.480 -0.222 0.000 0.264 267 M C 2.367 178.707 176.300 0.068 0.000 1.063 267 M CA 1.231 56.562 55.300 0.053 0.000 1.119 267 M CB -0.229 32.382 32.600 0.018 0.000 1.377 267 M HN 0.344 nan 8.290 nan 0.000 0.415 268 R N -0.019 120.512 120.500 0.051 0.000 2.075 268 R HA -0.027 4.180 4.340 -0.222 0.000 0.232 268 R C 2.319 178.646 176.300 0.045 0.000 1.126 268 R CA 1.411 57.538 56.100 0.045 0.000 0.963 268 R CB -0.446 29.875 30.300 0.035 0.000 0.858 268 R HN 0.343 nan 8.270 nan 0.000 0.435 269 A N 1.323 124.170 122.820 0.046 0.000 1.969 269 A HA -0.095 4.092 4.320 -0.222 0.000 0.218 269 A C 0.605 178.223 177.584 0.056 0.000 1.169 269 A CA 1.097 53.161 52.037 0.045 0.000 0.635 269 A CB 0.078 19.103 19.000 0.042 0.000 0.810 269 A HN 0.132 nan 8.150 nan 0.000 0.445 270 K N -0.628 119.814 120.400 0.071 0.000 2.521 270 K HA 0.534 4.721 4.320 -0.222 0.000 0.248 270 K C 0.525 177.179 176.600 0.089 0.000 0.978 270 K CA 0.197 56.534 56.287 0.083 0.000 0.947 270 K CB 1.597 34.161 32.500 0.107 0.000 1.165 270 K HN 0.160 nan 8.250 nan 0.000 0.445 271 A N 2.335 125.196 122.820 0.068 0.000 2.019 271 A HA -0.161 4.026 4.320 -0.222 0.000 0.219 271 A C 1.226 178.842 177.584 0.054 0.000 1.164 271 A CA 1.683 53.755 52.037 0.058 0.000 0.644 271 A CB -0.215 18.808 19.000 0.038 0.000 0.805 271 A HN 0.790 nan 8.150 nan 0.000 0.449 272 D N -0.860 119.574 120.400 0.057 0.000 2.395 272 D HA 0.093 4.600 4.640 -0.222 0.000 0.226 272 D C 1.146 177.487 176.300 0.067 0.000 1.146 272 D CA -0.294 53.728 54.000 0.036 0.000 0.830 272 D CB -0.223 40.593 40.800 0.026 0.000 0.958 272 D HN 0.206 nan 8.370 nan 0.000 0.501 273 L N 1.323 122.630 121.223 0.140 0.000 2.042 273 L HA -0.039 4.168 4.340 -0.222 0.000 0.210 273 L C 2.344 179.348 176.870 0.224 0.000 1.076 273 L CA 1.822 56.819 54.840 0.262 0.000 0.749 273 L CB -0.806 41.453 42.059 0.332 0.000 0.893 273 L HN 0.162 nan 8.230 nan 0.000 0.432 274 A N -0.898 121.882 122.820 -0.067 0.000 1.933 274 A HA -0.245 3.942 4.320 -0.222 0.000 0.218 274 A C 1.917 179.328 177.584 -0.290 0.000 1.175 274 A CA 1.967 53.640 52.037 -0.607 0.000 0.628 274 A CB -0.888 17.633 19.000 -0.799 0.000 0.814 274 A HN 0.541 nan 8.150 nan 0.000 0.444 275 D N -0.547 119.743 120.400 -0.183 0.000 2.117 275 D HA -0.154 4.353 4.640 -0.222 0.000 0.197 275 D C 2.205 178.374 176.300 -0.218 0.000 0.987 275 D CA 1.524 55.417 54.000 -0.177 0.000 0.829 275 D CB -0.211 40.523 40.800 -0.111 0.000 0.961 275 D HN 0.591 nan 8.370 nan 0.000 0.460 276 Q N -0.737 118.962 119.800 -0.168 0.000 2.084 276 Q HA -0.145 4.062 4.340 -0.222 0.000 0.202 276 Q C 1.896 177.436 176.000 -0.767 0.000 0.978 276 Q CA 0.762 56.377 55.803 -0.313 0.000 0.844 276 Q CB -0.169 28.573 28.738 0.005 0.000 0.898 276 Q HN 0.321 nan 8.270 nan 0.000 0.426 277 F N 0.957 120.422 119.950 -0.808 0.000 2.069 277 F HA -0.215 4.196 4.527 -0.194 0.000 0.298 277 F C 1.954 177.383 175.800 -0.619 0.000 1.113 277 F CA 1.176 58.605 58.000 -0.952 0.000 1.214 277 F CB -0.635 38.187 39.000 -0.298 0.000 0.978 277 F HN -0.203 nan 8.300 nan 0.000 0.474 278 V N 0.874 120.344 119.914 -0.740 0.000 2.392 278 V HA -0.300 3.687 4.120 -0.222 0.000 0.249 278 V C 2.817 178.579 176.094 -0.553 0.000 1.059 278 V CA 1.823 63.691 62.300 -0.720 0.000 1.051 278 V CB -1.720 29.831 31.823 -0.454 0.000 0.658 278 V HN 0.529 nan 8.190 nan 0.000 0.455 279 A N -0.835 121.701 122.820 -0.473 0.000 1.933 279 A HA -0.221 3.966 4.320 -0.222 0.000 0.218 279 A C 2.555 179.889 177.584 -0.417 0.000 1.175 279 A CA 2.175 53.986 52.037 -0.377 0.000 0.628 279 A CB -0.688 18.127 19.000 -0.308 0.000 0.814 279 A HN 0.486 nan 8.150 nan 0.000 0.444 280 S N -0.019 115.356 115.700 -0.543 0.000 2.355 280 S HA -0.177 4.160 4.470 -0.222 0.000 0.222 280 S C 2.173 176.550 174.600 -0.371 0.000 1.031 280 S CA 1.772 59.705 58.200 -0.445 0.000 0.993 280 S CB -0.509 62.395 63.200 -0.493 0.000 0.859 280 S HN 0.678 nan 8.310 nan 0.000 0.453 281 M N 0.852 120.181 119.600 -0.452 0.000 2.476 281 M HA 0.071 4.418 4.480 -0.222 0.000 0.262 281 M C 1.495 177.612 176.300 -0.306 0.000 1.079 281 M CA 1.670 56.757 55.300 -0.356 0.000 1.104 281 M CB -0.757 31.533 32.600 -0.518 0.000 1.409 281 M HN 0.346 nan 8.290 nan 0.000 0.467 282 T N -2.603 111.752 114.554 -0.332 0.000 3.054 282 T HA 0.346 4.563 4.350 -0.222 0.000 0.255 282 T C 0.531 175.092 174.700 -0.231 0.000 1.035 282 T CA -0.477 61.468 62.100 -0.259 0.000 0.941 282 T CB -0.087 68.633 68.868 -0.246 0.000 1.026 282 T HN 0.427 nan 8.240 nan 0.000 0.533 283 M N 2.358 121.780 119.600 -0.297 0.000 2.252 283 M HA 0.368 4.715 4.480 -0.222 0.000 0.348 283 M C 1.255 177.465 176.300 -0.149 0.000 1.334 283 M CA 1.303 56.408 55.300 -0.324 0.000 1.071 283 M CB -0.092 32.127 32.600 -0.636 0.000 1.763 283 M HN 0.590 nan 8.290 nan 0.000 0.452 284 G N 3.689 112.499 108.800 0.017 0.000 2.283 284 G HA2 -0.284 3.543 3.960 -0.222 0.000 0.280 284 G HA3 -0.284 3.543 3.960 -0.222 0.000 0.280 284 G C 0.426 175.325 174.900 -0.002 0.000 1.029 284 G CA 0.048 45.231 45.100 0.138 0.000 0.840 284 G HN 1.093 nan 8.290 nan 0.000 0.505 285 C N -2.179 117.070 119.300 -0.085 0.000 4.365 285 C HA 0.011 4.338 4.460 -0.222 0.000 0.299 285 C C 2.396 177.255 174.990 -0.218 0.000 1.409 285 C CA 1.384 60.308 59.018 -0.157 0.000 2.007 285 C CB -1.832 25.810 27.740 -0.164 0.000 1.264 285 C HN 2.724 nan 8.230 nan 0.000 0.777 286 G N -0.466 108.230 108.800 -0.172 0.000 2.155 286 G HA2 -0.321 3.506 3.960 -0.222 0.000 0.257 286 G HA3 -0.321 3.506 3.960 -0.222 0.000 0.257 286 G C 0.145 174.867 174.900 -0.296 0.000 0.983 286 G CA 0.735 45.717 45.100 -0.197 0.000 0.676 286 G HN 0.854 nan 8.290 nan 0.000 0.528 287 Q N -0.525 119.138 119.800 -0.229 0.000 2.620 287 Q HA 0.491 4.698 4.340 -0.222 0.000 0.333 287 Q C -0.550 175.503 176.000 0.088 0.000 1.017 287 Q CA -0.064 55.463 55.803 -0.461 0.000 0.962 287 Q CB 0.096 28.683 28.738 -0.251 0.000 1.297 287 Q HN 0.418 nan 8.270 nan 0.000 0.419 288 F N -0.734 119.209 119.950 -0.011 0.000 2.495 288 F HA 0.143 4.526 4.527 -0.241 0.000 0.327 288 F C 1.247 177.209 175.800 0.270 0.000 1.103 288 F CA -1.648 56.488 58.000 0.226 0.000 0.949 288 F CB 1.042 40.142 39.000 0.168 0.000 1.142 288 F HN 0.265 nan 8.300 nan 0.000 0.457 289 C N -1.510 118.025 119.300 0.392 0.000 2.432 289 C HA -0.042 4.285 4.460 -0.222 0.000 0.282 289 C C 1.873 177.038 174.990 0.292 0.000 1.388 289 C CA 0.878 60.086 59.018 0.316 0.000 1.777 289 C CB -1.948 25.897 27.740 0.175 0.000 1.882 289 C HN 0.869 nan 8.230 nan 0.000 0.520 290 T N -2.334 112.429 114.554 0.347 0.000 3.122 290 T HA 0.114 4.331 4.350 -0.222 0.000 0.250 290 T C 0.486 175.358 174.700 0.287 0.000 1.067 290 T CA -0.198 62.090 62.100 0.313 0.000 0.966 290 T CB -0.307 68.769 68.868 0.347 0.000 1.002 290 T HN 0.667 nan 8.240 nan 0.000 0.542 291 K N 3.502 124.071 120.400 0.282 0.000 2.484 291 K HA 0.082 4.269 4.320 -0.222 0.000 0.280 291 K C -2.407 174.315 176.600 0.204 0.000 1.013 291 K CA -1.511 54.891 56.287 0.190 0.000 1.029 291 K CB 0.401 32.980 32.500 0.132 0.000 0.902 291 K HN 0.102 nan 8.250 nan 0.000 0.481 292 P HA 0.021 nan 4.420 nan 0.000 0.268 292 P C 0.126 177.579 177.300 0.255 0.000 1.282 292 P CA 0.031 63.313 63.100 0.303 0.000 0.880 292 P CB 0.739 32.742 31.700 0.505 0.000 0.971 293 G N 2.722 111.634 108.800 0.188 0.000 2.683 293 G HA2 0.127 3.954 3.960 -0.222 0.000 0.213 293 G HA3 0.127 3.954 3.960 -0.222 0.000 0.213 293 G C 0.048 174.995 174.900 0.078 0.000 1.142 293 G CA 0.203 45.392 45.100 0.149 0.000 0.793 293 G HN 0.516 nan 8.290 nan 0.000 0.534 294 V N 0.268 120.172 119.914 -0.017 0.000 2.817 294 V HA 0.571 4.558 4.120 -0.222 0.000 0.303 294 V C -1.545 174.253 176.094 -0.493 0.000 1.151 294 V CA -0.680 61.436 62.300 -0.307 0.000 0.929 294 V CB 2.354 33.889 31.823 -0.480 0.000 1.030 294 V HN -0.100 nan 8.190 nan 0.000 0.427 295 V N 7.324 126.859 119.914 -0.631 0.000 2.448 295 V HA 0.588 4.575 4.120 -0.222 0.000 0.295 295 V C -0.709 174.867 176.094 -0.863 0.000 1.025 295 V CA -0.445 61.471 62.300 -0.640 0.000 0.859 295 V CB 1.613 33.090 31.823 -0.576 0.000 0.988 295 V HN 0.722 nan 8.190 nan 0.000 0.431 296 F N 3.271 122.856 119.950 -0.609 0.000 2.420 296 F HA 0.830 5.228 4.527 -0.216 0.000 0.342 296 F C 0.512 176.053 175.800 -0.432 0.000 1.113 296 F CA -0.260 57.404 58.000 -0.559 0.000 1.059 296 F CB 1.779 40.347 39.000 -0.720 0.000 1.128 296 F HN 0.603 nan 8.300 nan 0.000 0.475 297 A N 3.418 126.118 122.820 -0.200 0.000 2.566 297 A HA 0.840 5.027 4.320 -0.222 0.000 0.292 297 A C -1.238 176.247 177.584 -0.166 0.000 1.112 297 A CA -0.824 51.068 52.037 -0.242 0.000 0.707 297 A CB 1.273 20.073 19.000 -0.335 0.000 1.302 297 A HN 0.694 nan 8.150 nan 0.000 0.409 298 L N 0.587 121.710 121.223 -0.167 0.000 2.421 298 L HA 0.334 4.541 4.340 -0.222 0.000 0.263 298 L C 0.970 177.798 176.870 -0.071 0.000 1.122 298 L CA -0.406 54.371 54.840 -0.104 0.000 0.804 298 L CB 0.722 42.725 42.059 -0.094 0.000 1.150 298 L HN 0.907 nan 8.230 nan 0.000 0.457 299 N N 0.759 119.436 118.700 -0.038 0.000 3.178 299 N HA 0.043 4.650 4.740 -0.222 0.000 0.300 299 N C -0.609 174.893 175.510 -0.012 0.000 1.242 299 N CA -0.273 52.765 53.050 -0.020 0.000 1.192 299 N CB 0.148 38.632 38.487 -0.004 0.000 1.463 299 N HN 0.706 nan 8.380 nan 0.000 0.539 300 T N -1.770 112.773 114.554 -0.018 0.000 2.926 300 T HA 0.406 4.623 4.350 -0.222 0.000 0.289 300 T C -2.075 172.625 174.700 0.001 0.000 1.054 300 T CA -1.731 60.366 62.100 -0.006 0.000 1.015 300 T CB 1.729 70.594 68.868 -0.006 0.000 1.167 300 T HN -0.122 nan 8.240 nan 0.000 0.526 301 P HA -0.026 nan 4.420 nan 0.000 0.216 301 P C 1.126 178.441 177.300 0.026 0.000 1.150 301 P CA 0.998 64.108 63.100 0.017 0.000 0.837 301 P CB 0.055 31.765 31.700 0.017 0.000 0.786 302 E N -1.131 119.083 120.200 0.023 0.000 2.085 302 E HA -0.147 4.070 4.350 -0.222 0.000 0.194 302 E C 1.979 178.612 176.600 0.054 0.000 0.994 302 E CA 1.724 58.146 56.400 0.038 0.000 0.801 302 E CB -1.338 28.375 29.700 0.021 0.000 0.743 302 E HN 0.217 nan 8.360 nan 0.000 0.453 303 T N 0.331 114.889 114.554 0.006 0.000 2.777 303 T HA -0.186 4.031 4.350 -0.222 0.000 0.266 303 T C 1.819 176.564 174.700 0.076 0.000 1.040 303 T CA 1.426 63.523 62.100 -0.006 0.000 1.141 303 T CB -0.215 68.609 68.868 -0.073 0.000 0.868 303 T HN 0.061 nan 8.240 nan 0.000 0.444 304 Q N 1.502 121.331 119.800 0.048 0.000 2.084 304 Q HA 0.076 4.283 4.340 -0.222 0.000 0.202 304 Q C 2.254 178.293 176.000 0.064 0.000 0.978 304 Q CA 1.858 57.690 55.803 0.047 0.000 0.844 304 Q CB -0.748 28.005 28.738 0.026 0.000 0.898 304 Q HN 0.490 nan 8.270 nan 0.000 0.426 305 A N -0.495 122.369 122.820 0.073 0.000 1.898 305 A HA -0.113 4.074 4.320 -0.222 0.000 0.216 305 A C 2.030 179.670 177.584 0.094 0.000 1.181 305 A CA 1.228 53.304 52.037 0.065 0.000 0.620 305 A CB -0.999 18.038 19.000 0.061 0.000 0.819 305 A HN 0.543 nan 8.150 nan 0.000 0.442 306 F N 0.782 120.719 119.950 -0.021 0.000 2.095 306 F HA -0.202 4.193 4.527 -0.219 0.000 0.298 306 F C 2.003 177.793 175.800 -0.016 0.000 1.104 306 F CA 1.978 59.965 58.000 -0.020 0.000 1.232 306 F CB -0.204 38.770 39.000 -0.043 0.000 0.987 306 F HN 0.187 nan 8.300 nan 0.000 0.475 307 I N 0.320 121.021 120.570 0.217 0.000 2.163 307 I HA -0.309 3.728 4.170 -0.222 0.000 0.243 307 I C 2.277 178.384 176.117 -0.017 0.000 1.085 307 I CA 1.863 63.219 61.300 0.094 0.000 1.347 307 I CB -0.643 37.407 38.000 0.084 0.000 1.044 307 I HN 0.248 nan 8.210 nan 0.000 0.408 308 E N 0.164 120.356 120.200 -0.014 0.000 2.110 308 E HA -0.177 4.040 4.350 -0.222 0.000 0.193 308 E C 2.138 178.694 176.600 -0.074 0.000 0.988 308 E CA 1.775 58.151 56.400 -0.039 0.000 0.804 308 E CB -0.170 29.517 29.700 -0.022 0.000 0.745 308 E HN 0.482 nan 8.360 nan 0.000 0.458 309 T N 0.951 115.446 114.554 -0.099 0.000 2.737 309 T HA -0.125 4.092 4.350 -0.222 0.000 0.265 309 T C 2.037 176.629 174.700 -0.180 0.000 1.038 309 T CA 1.211 63.230 62.100 -0.135 0.000 1.144 309 T CB -0.211 68.562 68.868 -0.158 0.000 0.866 309 T HN 0.249 nan 8.240 nan 0.000 0.434 310 A N 1.380 124.055 122.820 -0.241 0.000 1.877 310 A HA -0.179 4.008 4.320 -0.222 0.000 0.216 310 A C 2.283 179.772 177.584 -0.158 0.000 1.186 310 A CA 1.636 53.538 52.037 -0.225 0.000 0.620 310 A CB -0.737 18.150 19.000 -0.187 0.000 0.822 310 A HN 0.531 nan 8.150 nan 0.000 0.443 311 Q N -0.788 118.938 119.800 -0.123 0.000 2.096 311 Q HA -0.165 4.042 4.340 -0.222 0.000 0.204 311 Q C 2.466 178.399 176.000 -0.111 0.000 0.982 311 Q CA 1.743 57.477 55.803 -0.116 0.000 0.850 311 Q CB -0.247 28.433 28.738 -0.096 0.000 0.901 311 Q HN 0.682 nan 8.270 nan 0.000 0.422 312 S N 0.194 115.833 115.700 -0.101 0.000 2.368 312 S HA -0.087 4.250 4.470 -0.222 0.000 0.224 312 S C 1.863 176.405 174.600 -0.097 0.000 1.029 312 S CA 0.759 58.907 58.200 -0.088 0.000 0.988 312 S CB -0.106 63.047 63.200 -0.077 0.000 0.838 312 S HN 0.289 nan 8.310 nan 0.000 0.462 313 L N 1.068 122.218 121.223 -0.122 0.000 2.056 313 L HA -0.060 4.148 4.340 -0.222 0.000 0.207 313 L C 2.424 179.214 176.870 -0.132 0.000 1.078 313 L CA 0.766 55.527 54.840 -0.132 0.000 0.749 313 L CB -0.524 41.433 42.059 -0.170 0.000 0.901 313 L HN 0.333 nan 8.230 nan 0.000 0.433 314 I N 0.180 120.663 120.570 -0.145 0.000 2.163 314 I HA -0.281 3.756 4.170 -0.222 0.000 0.243 314 I C 2.677 178.739 176.117 -0.092 0.000 1.085 314 I CA 1.588 62.806 61.300 -0.136 0.000 1.347 314 I CB -1.062 36.844 38.000 -0.156 0.000 1.044 314 I HN 0.322 nan 8.210 nan 0.000 0.408 315 R N 0.242 120.693 120.500 -0.082 0.000 2.159 315 R HA -0.225 3.982 4.340 -0.222 0.000 0.237 315 R C 1.874 178.147 176.300 -0.046 0.000 1.131 315 R CA 1.147 57.216 56.100 -0.052 0.000 0.982 315 R CB -0.291 29.979 30.300 -0.051 0.000 0.868 315 R HN 0.339 nan 8.270 nan 0.000 0.453 316 Q N 0.416 120.180 119.800 -0.060 0.000 2.319 316 Q HA 0.032 4.239 4.340 -0.222 0.000 0.202 316 Q C -0.228 175.738 176.000 -0.058 0.000 0.896 316 Q CA 0.133 55.904 55.803 -0.054 0.000 0.942 316 Q CB 0.460 29.163 28.738 -0.059 0.000 1.083 316 Q HN 0.040 nan 8.270 nan 0.000 0.510 317 Q N 0.310 120.071 119.800 -0.065 0.000 2.361 317 Q HA 0.057 4.264 4.340 -0.222 0.000 0.276 317 Q C -0.395 175.575 176.000 -0.050 0.000 1.022 317 Q CA 0.182 55.944 55.803 -0.069 0.000 0.898 317 Q CB 1.107 29.795 28.738 -0.082 0.000 1.246 317 Q HN 0.178 nan 8.270 nan 0.000 0.410 318 S N 2.630 118.300 115.700 -0.050 0.000 2.564 318 S HA 0.244 4.581 4.470 -0.222 0.000 0.278 318 S C -2.157 172.423 174.600 -0.033 0.000 1.333 318 S CA -1.112 57.067 58.200 -0.035 0.000 1.048 318 S CB 0.295 63.476 63.200 -0.032 0.000 0.900 318 S HN 0.258 nan 8.310 nan 0.000 0.505 319 P HA 0.114 nan 4.420 nan 0.000 0.265 319 P C -1.107 176.176 177.300 -0.027 0.000 1.187 319 P CA 0.134 63.223 63.100 -0.019 0.000 0.766 319 P CB 0.475 32.172 31.700 -0.006 0.000 0.820 320 S N 1.021 116.692 115.700 -0.049 0.000 2.509 320 S HA 0.485 4.822 4.470 -0.222 0.000 0.297 320 S C -0.296 174.259 174.600 -0.076 0.000 1.118 320 S CA -0.517 57.637 58.200 -0.077 0.000 1.074 320 S CB 1.020 64.134 63.200 -0.143 0.000 1.038 320 S HN 0.293 nan 8.310 nan 0.000 0.498 321 T N 3.740 118.247 114.554 -0.078 0.000 2.788 321 T HA 0.424 4.641 4.350 -0.222 0.000 0.296 321 T C 0.164 174.768 174.700 -0.160 0.000 1.009 321 T CA -0.447 61.587 62.100 -0.110 0.000 0.949 321 T CB 0.078 68.865 68.868 -0.134 0.000 0.946 321 T HN 0.344 nan 8.240 nan 0.000 0.453 322 L N 3.017 124.157 121.223 -0.139 0.000 2.479 322 L HA 0.385 4.592 4.340 -0.222 0.000 0.249 322 L C 1.840 178.642 176.870 -0.114 0.000 1.178 322 L CA -0.728 54.040 54.840 -0.120 0.000 0.811 322 L CB 0.324 42.334 42.059 -0.080 0.000 1.187 322 L HN 0.580 nan 8.230 nan 0.000 0.480 323 L N -0.180 121.009 121.223 -0.057 0.000 2.042 323 L HA -0.103 4.104 4.340 -0.222 0.000 0.210 323 L C 0.984 177.823 176.870 -0.051 0.000 1.076 323 L CA 1.421 56.224 54.840 -0.062 0.000 0.749 323 L CB -0.673 41.383 42.059 -0.005 0.000 0.893 323 L HN 0.849 nan 8.230 nan 0.000 0.432 324 T N -6.277 108.275 114.554 -0.004 0.000 2.883 324 T HA 0.328 4.545 4.350 -0.222 0.000 0.301 324 T C -2.299 172.418 174.700 0.029 0.000 1.158 324 T CA -1.567 60.542 62.100 0.015 0.000 1.007 324 T CB 1.972 70.869 68.868 0.048 0.000 1.186 324 T HN -0.266 nan 8.240 nan 0.000 0.499 325 P HA 0.039 nan 4.420 nan 0.000 0.223 325 P C 1.581 178.916 177.300 0.059 0.000 1.151 325 P CA 1.070 64.194 63.100 0.040 0.000 0.787 325 P CB -0.423 31.300 31.700 0.038 0.000 0.788 326 G N 0.496 109.335 108.800 0.066 0.000 2.394 326 G HA2 -0.154 3.673 3.960 -0.222 0.000 0.215 326 G HA3 -0.154 3.673 3.960 -0.222 0.000 0.215 326 G C 1.662 176.621 174.900 0.098 0.000 1.165 326 G CA 0.263 45.408 45.100 0.075 0.000 0.784 326 G HN 0.217 nan 8.290 nan 0.000 0.535 327 I N 0.197 120.833 120.570 0.110 0.000 2.252 327 I HA -0.117 3.921 4.170 -0.222 0.000 0.245 327 I C 2.826 179.052 176.117 0.182 0.000 1.102 327 I CA 1.031 62.430 61.300 0.164 0.000 1.385 327 I CB -0.185 37.927 38.000 0.186 0.000 1.064 327 I HN 0.126 nan 8.210 nan 0.000 0.414 328 R N 1.193 121.768 120.500 0.125 0.000 2.082 328 R HA -0.277 3.930 4.340 -0.222 0.000 0.234 328 R C 2.014 178.411 176.300 0.162 0.000 1.136 328 R CA 2.617 58.793 56.100 0.127 0.000 0.935 328 R CB -0.516 29.823 30.300 0.066 0.000 0.842 328 R HN 0.314 nan 8.270 nan 0.000 0.430 329 D N -0.249 120.220 120.400 0.115 0.000 2.133 329 D HA -0.142 4.365 4.640 -0.222 0.000 0.195 329 D C 1.705 178.071 176.300 0.111 0.000 0.997 329 D CA 2.072 56.130 54.000 0.096 0.000 0.840 329 D CB -0.028 40.815 40.800 0.072 0.000 0.947 329 D HN 0.210 nan 8.370 nan 0.000 0.452 330 S N -1.364 114.417 115.700 0.136 0.000 2.368 330 S HA -0.139 4.198 4.470 -0.222 0.000 0.224 330 S C 1.598 176.298 174.600 0.165 0.000 1.029 330 S CA 0.884 59.167 58.200 0.138 0.000 0.988 330 S CB -0.599 62.691 63.200 0.150 0.000 0.838 330 S HN 0.456 nan 8.310 nan 0.000 0.462 331 Y N 2.414 122.777 120.300 0.105 0.000 2.089 331 Y HA -0.222 4.290 4.550 -0.064 0.000 0.282 331 Y C 2.446 178.405 175.900 0.098 0.000 1.139 331 Y CA 1.827 59.993 58.100 0.110 0.000 1.123 331 Y CB -0.654 37.865 38.460 0.097 0.000 0.980 331 Y HN 0.248 nan 8.280 nan 0.000 0.493 332 Q N -0.767 119.098 119.800 0.108 0.000 2.061 332 Q HA -0.244 3.963 4.340 -0.222 0.000 0.204 332 Q C 2.570 178.537 176.000 -0.056 0.000 0.984 332 Q CA 1.956 57.753 55.803 -0.011 0.000 0.846 332 Q CB -0.491 28.286 28.738 0.064 0.000 0.902 332 Q HN 0.474 nan 8.270 nan 0.000 0.421 333 S N 0.317 116.016 115.700 -0.001 0.000 2.368 333 S HA -0.208 4.130 4.470 -0.222 0.000 0.225 333 S C 1.881 176.483 174.600 0.002 0.000 1.030 333 S CA 1.429 59.634 58.200 0.009 0.000 0.999 333 S CB 0.011 63.231 63.200 0.033 0.000 0.844 333 S HN 0.346 nan 8.310 nan 0.000 0.459 334 Q N 0.270 120.060 119.800 -0.016 0.000 2.137 334 Q HA -0.028 4.179 4.340 -0.222 0.000 0.198 334 Q C 2.386 178.368 176.000 -0.029 0.000 0.960 334 Q CA 1.611 57.405 55.803 -0.015 0.000 0.847 334 Q CB -0.324 28.415 28.738 0.000 0.000 0.915 334 Q HN 0.703 nan 8.270 nan 0.000 0.448 335 V N -2.564 117.294 119.914 -0.093 0.000 2.515 335 V HA -0.138 3.849 4.120 -0.222 0.000 0.250 335 V C 2.091 178.354 176.094 0.282 0.000 1.058 335 V CA 1.150 63.517 62.300 0.111 0.000 1.064 335 V CB -0.794 31.018 31.823 -0.018 0.000 0.675 335 V HN 0.077 nan 8.190 nan 0.000 0.461 336 V N 0.687 120.679 119.914 0.131 0.000 2.307 336 V HA -0.202 3.785 4.120 -0.222 0.000 0.245 336 V C 2.941 179.120 176.094 0.141 0.000 1.045 336 V CA 2.342 64.727 62.300 0.142 0.000 1.024 336 V CB -0.670 31.170 31.823 0.029 0.000 0.651 336 V HN 0.677 nan 8.190 nan 0.000 0.449 337 S N -0.041 115.715 115.700 0.094 0.000 2.359 337 S HA -0.300 4.037 4.470 -0.222 0.000 0.224 337 S C 2.246 176.915 174.600 0.114 0.000 1.035 337 S CA 2.250 60.504 58.200 0.090 0.000 1.018 337 S CB -0.343 62.897 63.200 0.067 0.000 0.876 337 S HN 0.555 nan 8.310 nan 0.000 0.448 338 R N -0.002 120.547 120.500 0.082 0.000 2.075 338 R HA -0.012 4.195 4.340 -0.222 0.000 0.232 338 R C 2.402 178.757 176.300 0.092 0.000 1.126 338 R CA 1.475 57.581 56.100 0.010 0.000 0.963 338 R CB -0.966 29.123 30.300 -0.351 0.000 0.858 338 R HN 0.501 nan 8.270 nan 0.000 0.435 339 G N -0.486 108.485 108.800 0.286 0.000 2.471 339 G HA2 -0.231 3.597 3.960 -0.222 0.000 0.219 339 G HA3 -0.231 3.597 3.960 -0.222 0.000 0.219 339 G C 1.271 176.279 174.900 0.179 0.000 1.125 339 G CA 0.777 46.062 45.100 0.308 0.000 0.775 339 G HN 0.503 nan 8.290 nan 0.000 0.548 340 S N -0.086 115.713 115.700 0.165 0.000 2.593 340 S HA 0.117 4.454 4.470 -0.222 0.000 0.217 340 S C 0.208 174.895 174.600 0.144 0.000 0.966 340 S CA -0.296 57.984 58.200 0.133 0.000 0.914 340 S CB 0.141 63.409 63.200 0.113 0.000 0.776 340 S HN 0.139 nan 8.310 nan 0.000 0.523 341 D N 2.613 123.122 120.400 0.182 0.000 2.344 341 D HA 0.343 4.850 4.640 -0.222 0.000 0.244 341 D C -0.415 176.013 176.300 0.214 0.000 1.134 341 D CA -0.107 54.035 54.000 0.236 0.000 0.930 341 D CB 0.550 41.577 40.800 0.377 0.000 1.175 341 D HN 0.197 nan 8.370 nan 0.000 0.437 342 D N -0.739 119.795 120.400 0.225 0.000 2.304 342 D HA 0.411 4.918 4.640 -0.222 0.000 0.247 342 D C 1.286 177.716 176.300 0.217 0.000 1.089 342 D CA 0.116 54.230 54.000 0.189 0.000 0.910 342 D CB 1.276 42.177 40.800 0.168 0.000 1.199 342 D HN 0.544 nan 8.370 nan 0.000 0.426 343 G N 1.075 109.985 108.800 0.184 0.000 2.136 343 G HA2 -0.245 3.582 3.960 -0.222 0.000 0.242 343 G HA3 -0.245 3.582 3.960 -0.222 0.000 0.242 343 G C 0.185 175.215 174.900 0.218 0.000 0.989 343 G CA 0.079 45.306 45.100 0.211 0.000 0.682 343 G HN 0.515 nan 8.290 nan 0.000 0.522 344 I N 0.127 120.769 120.570 0.121 0.000 2.569 344 I HA 0.515 4.553 4.170 -0.222 0.000 0.290 344 I C -1.337 174.772 176.117 -0.013 0.000 1.088 344 I CA -0.933 60.348 61.300 -0.032 0.000 1.047 344 I CB 1.747 39.543 38.000 -0.340 0.000 1.237 344 I HN -0.004 nan 8.210 nan 0.000 0.421 345 D N 4.913 125.289 120.400 -0.040 0.000 2.217 345 D HA 0.628 5.135 4.640 -0.222 0.000 0.248 345 D C -1.275 174.921 176.300 -0.173 0.000 1.008 345 D CA 0.090 54.044 54.000 -0.076 0.000 0.914 345 D CB 2.449 43.207 40.800 -0.070 0.000 1.182 345 D HN 0.219 nan 8.370 nan 0.000 0.451 346 V N 1.227 120.953 119.914 -0.313 0.000 2.888 346 V HA 0.604 4.591 4.120 -0.222 0.000 0.309 346 V C -1.220 174.472 176.094 -0.670 0.000 1.114 346 V CA -0.257 61.615 62.300 -0.713 0.000 0.940 346 V CB 2.316 33.496 31.823 -1.072 0.000 1.021 346 V HN 0.594 nan 8.190 nan 0.000 0.426 347 T N 7.036 121.141 114.554 -0.749 0.000 2.812 347 T HA 0.674 4.891 4.350 -0.222 0.000 0.282 347 T C -1.084 173.272 174.700 -0.574 0.000 0.990 347 T CA 0.023 61.828 62.100 -0.492 0.000 0.960 347 T CB 0.820 69.512 68.868 -0.293 0.000 0.948 347 T HN 0.413 nan 8.240 nan 0.000 0.438 348 F N 1.812 121.657 119.950 -0.174 0.000 2.507 348 F HA 0.616 4.994 4.527 -0.248 0.000 0.327 348 F C 1.144 176.886 175.800 -0.097 0.000 1.068 348 F CA -0.932 56.985 58.000 -0.137 0.000 0.965 348 F CB 1.591 40.526 39.000 -0.109 0.000 1.192 348 F HN 0.565 nan 8.300 nan 0.000 0.476 349 S N 0.788 116.582 115.700 0.156 0.000 2.713 349 S HA 0.437 4.774 4.470 -0.222 0.000 0.277 349 S C -0.598 174.032 174.600 0.049 0.000 1.168 349 S CA -0.972 57.260 58.200 0.054 0.000 0.994 349 S CB 0.882 64.092 63.200 0.017 0.000 1.054 349 S HN 0.489 nan 8.310 nan 0.000 0.555 350 Q N 0.690 120.497 119.800 0.012 0.000 2.296 350 Q HA 0.697 4.904 4.340 -0.222 0.000 0.257 350 Q C -0.491 175.503 176.000 -0.010 0.000 0.942 350 Q CA -0.090 55.711 55.803 -0.003 0.000 0.939 350 Q CB 1.012 29.745 28.738 -0.009 0.000 1.198 350 Q HN 0.878 nan 8.270 nan 0.000 0.429 351 A N 2.871 125.679 122.820 -0.021 0.000 2.604 351 A HA 0.627 4.814 4.320 -0.222 0.000 0.295 351 A C -1.210 176.358 177.584 -0.028 0.000 1.067 351 A CA -0.745 51.281 52.037 -0.019 0.000 0.683 351 A CB 1.547 20.541 19.000 -0.010 0.000 1.281 351 A HN 0.486 nan 8.150 nan 0.000 0.407 352 E N 0.984 121.174 120.200 -0.017 0.000 2.199 352 E HA 0.398 4.615 4.350 -0.222 0.000 0.265 352 E C -0.361 176.235 176.600 -0.007 0.000 0.882 352 E CA -0.450 55.939 56.400 -0.017 0.000 0.759 352 E CB 2.008 31.701 29.700 -0.012 0.000 1.148 352 E HN 0.618 nan 8.360 nan 0.000 0.412 353 S N 3.341 119.036 115.700 -0.008 0.000 2.561 353 S HA -0.002 4.335 4.470 -0.222 0.000 0.294 353 S C -0.837 173.768 174.600 0.008 0.000 1.294 353 S CA -0.726 57.476 58.200 0.003 0.000 1.055 353 S CB 0.365 63.566 63.200 0.002 0.000 0.819 353 S HN 0.366 nan 8.310 nan 0.000 0.503 354 P HA 0.066 nan 4.420 nan 0.000 0.230 354 P C 0.257 177.564 177.300 0.011 0.000 1.158 354 P CA 0.117 63.226 63.100 0.015 0.000 0.769 354 P CB -0.355 31.354 31.700 0.016 0.000 0.807 355 C N 1.243 120.549 119.300 0.009 0.000 2.703 355 C HA 0.267 4.594 4.460 -0.222 0.000 0.411 355 C C 1.150 176.143 174.990 0.004 0.000 1.290 355 C CA -0.556 58.462 59.018 0.000 0.000 2.054 355 C CB 0.352 28.094 27.740 0.004 0.000 2.732 355 C HN 0.225 nan 8.230 nan 0.000 0.650 356 V N 0.643 120.554 119.914 -0.005 0.000 2.919 356 V HA 0.941 4.929 4.120 -0.222 0.000 0.316 356 V C -0.002 176.115 176.094 0.040 0.000 1.077 356 V CA -0.698 61.628 62.300 0.044 0.000 0.977 356 V CB 1.481 33.346 31.823 0.070 0.000 1.039 356 V HN 1.127 nan 8.190 nan 0.000 0.441 357 A N 2.212 125.101 122.820 0.114 0.000 2.303 357 A HA 0.782 4.969 4.320 -0.222 0.000 0.317 357 A C 0.422 178.142 177.584 0.226 0.000 1.149 357 A CA -0.419 51.688 52.037 0.117 0.000 0.822 357 A CB 0.677 19.725 19.000 0.079 0.000 1.131 357 A HN 1.085 nan 8.150 nan 0.000 0.493 358 S N -0.119 115.656 115.700 0.124 0.000 2.603 358 S HA 0.612 4.949 4.470 -0.222 0.000 0.268 358 S C 0.202 174.892 174.600 0.151 0.000 1.317 358 S CA 0.232 58.492 58.200 0.101 0.000 1.012 358 S CB 1.161 64.342 63.200 -0.032 0.000 0.926 358 S HN 1.448 nan 8.310 nan 0.000 0.539 359 A N 1.347 124.214 122.820 0.077 0.000 2.486 359 A HA 0.737 4.924 4.320 -0.222 0.000 0.300 359 A C -1.642 175.771 177.584 -0.285 0.000 1.048 359 A CA -0.607 51.308 52.037 -0.204 0.000 0.696 359 A CB 1.192 20.031 19.000 -0.268 0.000 1.278 359 A HN 0.633 nan 8.150 nan 0.000 0.405 360 L N 2.042 122.976 121.223 -0.482 0.000 2.372 360 L HA 0.809 5.016 4.340 -0.222 0.000 0.274 360 L C -1.770 174.837 176.870 -0.439 0.000 0.988 360 L CA -0.364 54.305 54.840 -0.285 0.000 0.833 360 L CB 0.583 42.538 42.059 -0.173 0.000 1.236 360 L HN 0.546 nan 8.230 nan 0.000 0.410 361 F N 4.190 124.022 119.950 -0.197 0.000 2.397 361 F HA 0.741 5.130 4.527 -0.231 0.000 0.331 361 F C 0.168 175.848 175.800 -0.200 0.000 1.090 361 F CA -0.592 57.256 58.000 -0.253 0.000 1.065 361 F CB 1.817 40.621 39.000 -0.327 0.000 1.184 361 F HN 0.138 nan 8.300 nan 0.000 0.499 362 V N 1.199 121.099 119.914 -0.024 0.000 2.760 362 V HA 0.731 4.718 4.120 -0.222 0.000 0.309 362 V C -0.319 175.744 176.094 -0.052 0.000 1.077 362 V CA -0.454 61.819 62.300 -0.046 0.000 0.910 362 V CB 2.068 33.865 31.823 -0.044 0.000 1.008 362 V HN 0.915 nan 8.190 nan 0.000 0.424 363 T N 1.835 116.372 114.554 -0.029 0.000 2.711 363 T HA 0.569 4.786 4.350 -0.222 0.000 0.302 363 T C -0.727 174.029 174.700 0.093 0.000 1.373 363 T CA 0.198 62.329 62.100 0.052 0.000 1.000 363 T CB 1.955 70.878 68.868 0.092 0.000 1.483 363 T HN 1.027 nan 8.240 nan 0.000 0.499 364 S N 0.337 116.140 115.700 0.172 0.000 2.690 364 S HA 0.475 4.812 4.470 -0.222 0.000 0.291 364 S C 1.565 176.310 174.600 0.242 0.000 1.138 364 S CA 0.177 58.470 58.200 0.156 0.000 1.013 364 S CB 1.313 64.596 63.200 0.139 0.000 1.053 364 S HN 1.023 nan 8.310 nan 0.000 0.539 365 S N -0.134 115.684 115.700 0.197 0.000 2.419 365 S HA -0.163 4.174 4.470 -0.222 0.000 0.233 365 S C 1.521 176.310 174.600 0.315 0.000 1.016 365 S CA 1.066 59.428 58.200 0.270 0.000 0.974 365 S CB -0.736 62.569 63.200 0.176 0.000 0.786 365 S HN 0.847 nan 8.310 nan 0.000 0.492 366 E N 2.036 122.370 120.200 0.223 0.000 2.031 366 E HA -0.186 4.031 4.350 -0.222 0.000 0.193 366 E C 1.894 178.617 176.600 0.205 0.000 0.994 366 E CA 1.436 57.944 56.400 0.180 0.000 0.800 366 E CB -0.344 29.434 29.700 0.130 0.000 0.752 366 E HN 0.753 nan 8.360 nan 0.000 0.447 367 N N 0.073 118.931 118.700 0.262 0.000 2.188 367 N HA -0.157 4.451 4.740 -0.222 0.000 0.184 367 N C 1.662 177.347 175.510 0.291 0.000 1.018 367 N CA 0.786 54.007 53.050 0.284 0.000 0.858 367 N CB -0.274 38.441 38.487 0.380 0.000 0.989 367 N HN 0.406 nan 8.380 nan 0.000 0.426 368 W N 2.855 124.327 121.300 0.287 0.000 2.338 368 W HA -0.116 4.408 4.660 -0.226 0.000 0.304 368 W C 1.522 178.124 176.519 0.137 0.000 1.212 368 W CA 1.187 58.727 57.345 0.326 0.000 1.264 368 W CB -0.211 29.451 29.460 0.337 0.000 1.142 368 W HN 0.035 nan 8.180 nan 0.000 0.512 369 R N 0.374 120.994 120.500 0.201 0.000 2.120 369 R HA -0.124 4.083 4.340 -0.222 0.000 0.234 369 R C 2.219 178.441 176.300 -0.131 0.000 1.123 369 R CA 1.458 57.568 56.100 0.017 0.000 0.975 369 R CB -0.252 30.119 30.300 0.117 0.000 0.866 369 R HN 0.187 nan 8.270 nan 0.000 0.446 370 K N -0.579 119.747 120.400 -0.123 0.000 2.365 370 K HA -0.026 4.161 4.320 -0.222 0.000 0.197 370 K C -0.098 176.165 176.600 -0.561 0.000 1.042 370 K CA 0.680 56.810 56.287 -0.261 0.000 0.987 370 K CB 0.218 32.608 32.500 -0.184 0.000 0.779 370 K HN 0.221 nan 8.250 nan 0.000 0.484 371 H N 0.459 119.117 119.070 -0.687 0.000 2.539 371 H HA 0.113 4.537 4.556 -0.220 0.000 0.247 371 H C -1.881 172.991 175.328 -0.759 0.000 1.363 371 H CA -2.033 53.446 56.048 -0.948 0.000 1.371 371 H CB 0.900 29.401 29.762 -2.102 0.000 1.438 371 H HN -0.009 nan 8.280 nan 0.000 0.523 372 P HA -0.210 nan 4.420 nan 0.000 0.218 372 P C 1.324 178.464 177.300 -0.266 0.000 1.148 372 P CA 1.215 64.100 63.100 -0.359 0.000 0.822 372 P CB 0.380 31.936 31.700 -0.240 0.000 0.784 373 A N -1.067 121.630 122.820 -0.206 0.000 2.121 373 A HA -0.122 4.065 4.320 -0.222 0.000 0.218 373 A C 1.918 179.547 177.584 0.076 0.000 1.154 373 A CA 0.754 52.755 52.037 -0.059 0.000 0.679 373 A CB -1.594 17.393 19.000 -0.023 0.000 0.795 373 A HN 0.160 nan 8.150 nan 0.000 0.458 374 W N 0.244 121.431 121.300 -0.188 0.000 2.525 374 W HA -0.008 4.525 4.660 -0.212 0.000 0.259 374 W C 1.959 178.410 176.519 -0.114 0.000 1.253 374 W CA 0.755 57.997 57.345 -0.172 0.000 1.262 374 W CB -0.564 28.799 29.460 -0.161 0.000 1.122 374 W HN 0.662 nan 8.180 nan 0.000 0.607 375 E N 0.610 120.794 120.200 -0.026 0.000 2.482 375 E HA -0.079 4.138 4.350 -0.222 0.000 0.196 375 E C 0.040 176.736 176.600 0.160 0.000 1.047 375 E CA 0.276 56.758 56.400 0.138 0.000 0.869 375 E CB 0.076 29.807 29.700 0.052 0.000 0.836 375 E HN 0.177 nan 8.360 nan 0.000 0.520 376 E N 1.807 122.071 120.200 0.106 0.000 2.338 376 E HA 0.011 4.228 4.350 -0.222 0.000 0.272 376 E C -0.363 176.307 176.600 0.117 0.000 1.029 376 E CA -0.184 56.275 56.400 0.099 0.000 0.872 376 E CB 0.979 30.722 29.700 0.073 0.000 1.015 376 E HN 0.211 nan 8.360 nan 0.000 0.417 377 E N 3.275 123.552 120.200 0.128 0.000 2.413 377 E HA 0.023 4.240 4.350 -0.222 0.000 0.263 377 E C -0.753 175.947 176.600 0.167 0.000 1.015 377 E CA 0.062 56.558 56.400 0.159 0.000 0.916 377 E CB 0.518 30.326 29.700 0.179 0.000 0.947 377 E HN 0.412 nan 8.360 nan 0.000 0.440 378 I N 5.665 126.349 120.570 0.189 0.000 2.466 378 I HA 0.127 4.164 4.170 -0.222 0.000 0.279 378 I C -0.638 175.678 176.117 0.331 0.000 1.033 378 I CA -0.827 60.604 61.300 0.220 0.000 1.123 378 I CB 0.694 38.771 38.000 0.129 0.000 1.237 378 I HN 0.539 nan 8.210 nan 0.000 0.460 379 F N 6.373 126.447 119.950 0.206 0.000 2.506 379 F HA 0.509 4.936 4.527 -0.168 0.000 0.369 379 F C 0.843 176.772 175.800 0.215 0.000 1.114 379 F CA 0.717 58.828 58.000 0.185 0.000 1.121 379 F CB -0.057 39.022 39.000 0.133 0.000 1.104 379 F HN 0.535 nan 8.300 nan 0.000 0.564 380 G N 5.837 114.484 108.800 -0.254 0.000 2.341 380 G HA2 0.135 3.962 3.960 -0.222 0.000 0.293 380 G HA3 0.135 3.962 3.960 -0.222 0.000 0.293 380 G C -3.167 171.565 174.900 -0.280 0.000 1.298 380 G CA -0.935 43.895 45.100 -0.449 0.000 0.868 380 G HN 0.224 nan 8.290 nan 0.000 0.540 381 P HA 0.154 nan 4.420 nan 0.000 0.231 381 P C -0.584 176.742 177.300 0.043 0.000 1.756 381 P CA 0.514 63.511 63.100 -0.171 0.000 0.990 381 P CB 0.573 32.141 31.700 -0.220 0.000 1.973 382 Q N 0.763 120.655 119.800 0.154 0.000 2.389 382 Q HA 0.619 4.826 4.340 -0.222 0.000 0.277 382 Q C -1.837 174.264 176.000 0.168 0.000 1.082 382 Q CA -0.694 55.258 55.803 0.247 0.000 0.810 382 Q CB 2.565 31.591 28.738 0.481 0.000 1.374 382 Q HN 0.106 nan 8.270 nan 0.000 0.422 383 S N 2.244 118.056 115.700 0.187 0.000 2.625 383 S HA 0.769 5.106 4.470 -0.222 0.000 0.271 383 S C -2.071 172.675 174.600 0.244 0.000 1.161 383 S CA -0.573 57.745 58.200 0.197 0.000 0.820 383 S CB 1.305 64.630 63.200 0.209 0.000 1.137 383 S HN 0.587 nan 8.310 nan 0.000 0.470 384 L N 2.738 124.047 121.223 0.143 0.000 2.386 384 L HA 0.748 4.955 4.340 -0.222 0.000 0.271 384 L C -1.657 175.146 176.870 -0.111 0.000 0.993 384 L CA -0.338 54.520 54.840 0.030 0.000 0.819 384 L CB 1.504 43.513 42.059 -0.082 0.000 1.294 384 L HN 0.723 nan 8.230 nan 0.000 0.414 385 I N 5.286 125.786 120.570 -0.117 0.000 2.378 385 I HA 0.450 4.487 4.170 -0.222 0.000 0.291 385 I C -0.865 175.095 176.117 -0.261 0.000 0.992 385 I CA -0.875 60.291 61.300 -0.224 0.000 1.154 385 I CB 1.921 39.863 38.000 -0.096 0.000 1.315 385 I HN 0.284 nan 8.210 nan 0.000 0.448 386 V N 7.385 127.044 119.914 -0.425 0.000 2.334 386 V HA 0.255 4.242 4.120 -0.222 0.000 0.281 386 V C 0.082 176.070 176.094 -0.177 0.000 1.016 386 V CA -0.720 61.392 62.300 -0.314 0.000 0.832 386 V CB 1.654 33.135 31.823 -0.570 0.000 0.999 386 V HN 0.377 nan 8.190 nan 0.000 0.439 387 V N 4.699 124.568 119.914 -0.074 0.000 2.427 387 V HA 0.212 4.199 4.120 -0.222 0.000 0.268 387 V C 0.351 176.445 176.094 -0.001 0.000 1.046 387 V CA -0.246 62.026 62.300 -0.046 0.000 0.970 387 V CB 0.707 32.516 31.823 -0.023 0.000 1.001 387 V HN 0.971 nan 8.190 nan 0.000 0.476 388 C N 3.553 122.847 119.300 -0.010 0.000 2.364 388 C HA 0.281 4.608 4.460 -0.222 0.000 0.356 388 C C 1.962 176.955 174.990 0.005 0.000 1.201 388 C CA -0.503 58.523 59.018 0.013 0.000 2.227 388 C CB 1.112 28.856 27.740 0.006 0.000 2.387 388 C HN 1.025 nan 8.230 nan 0.000 0.546 389 E N 1.277 121.489 120.200 0.020 0.000 2.106 389 E HA -0.147 4.070 4.350 -0.222 0.000 0.192 389 E C 0.399 177.003 176.600 0.007 0.000 0.984 389 E CA 1.505 57.915 56.400 0.018 0.000 0.806 389 E CB 0.192 29.909 29.700 0.029 0.000 0.750 389 E HN 0.909 nan 8.360 nan 0.000 0.458 390 N N -3.790 114.910 118.700 0.000 0.000 3.373 390 N HA -0.012 4.595 4.740 -0.222 0.000 0.275 390 N C 0.176 175.677 175.510 -0.015 0.000 1.489 390 N CA -0.176 52.872 53.050 -0.003 0.000 0.872 390 N CB 0.833 39.327 38.487 0.011 0.000 1.555 390 N HN -0.205 nan 8.380 nan 0.000 0.500 391 V N -0.188 119.725 119.914 -0.002 0.000 2.343 391 V HA -0.167 3.820 4.120 -0.222 0.000 0.247 391 V C 2.457 178.554 176.094 0.005 0.000 1.051 391 V CA 2.602 64.902 62.300 0.001 0.000 1.036 391 V CB -1.448 30.428 31.823 0.089 0.000 0.654 391 V HN 0.850 nan 8.190 nan 0.000 0.451 392 A N 0.143 122.972 122.820 0.015 0.000 1.908 392 A HA -0.319 3.868 4.320 -0.222 0.000 0.218 392 A C 2.082 179.667 177.584 0.002 0.000 1.181 392 A CA 2.229 54.272 52.037 0.010 0.000 0.627 392 A CB -0.696 18.312 19.000 0.015 0.000 0.818 392 A HN 0.590 nan 8.150 nan 0.000 0.445 393 D N -0.815 119.588 120.400 0.005 0.000 2.117 393 D HA -0.186 4.321 4.640 -0.222 0.000 0.197 393 D C 1.920 178.214 176.300 -0.009 0.000 0.987 393 D CA 1.692 55.698 54.000 0.011 0.000 0.829 393 D CB -0.294 40.519 40.800 0.021 0.000 0.961 393 D HN 0.442 nan 8.370 nan 0.000 0.460 394 M N -0.498 119.086 119.600 -0.026 0.000 2.117 394 M HA -0.137 4.210 4.480 -0.222 0.000 0.262 394 M C 2.012 178.276 176.300 -0.059 0.000 1.065 394 M CA 1.250 56.528 55.300 -0.037 0.000 1.114 394 M CB -0.014 32.561 32.600 -0.042 0.000 1.361 394 M HN 0.086 nan 8.290 nan 0.000 0.408 395 L N -1.002 120.184 121.223 -0.063 0.000 2.027 395 L HA -0.181 4.026 4.340 -0.222 0.000 0.206 395 L C 2.460 179.294 176.870 -0.060 0.000 1.074 395 L CA 1.183 55.971 54.840 -0.086 0.000 0.745 395 L CB -0.825 41.203 42.059 -0.051 0.000 0.898 395 L HN 0.264 nan 8.230 nan 0.000 0.433 396 S N 0.241 115.925 115.700 -0.027 0.000 2.374 396 S HA -0.170 4.167 4.470 -0.222 0.000 0.227 396 S C 1.990 176.593 174.600 0.006 0.000 1.037 396 S CA 1.342 59.540 58.200 -0.002 0.000 1.024 396 S CB -0.380 62.830 63.200 0.017 0.000 0.861 396 S HN 0.288 nan 8.310 nan 0.000 0.456 397 L N 1.639 122.851 121.223 -0.018 0.000 2.046 397 L HA -0.121 4.086 4.340 -0.222 0.000 0.208 397 L C 2.758 179.606 176.870 -0.036 0.000 1.077 397 L CA 1.464 56.289 54.840 -0.026 0.000 0.747 397 L CB -0.863 41.063 42.059 -0.222 0.000 0.896 397 L HN 0.446 nan 8.230 nan 0.000 0.432 398 S N -0.983 114.677 115.700 -0.068 0.000 2.419 398 S HA -0.159 4.178 4.470 -0.222 0.000 0.233 398 S C 1.714 176.317 174.600 0.006 0.000 1.016 398 S CA 0.788 58.974 58.200 -0.023 0.000 0.974 398 S CB -0.304 62.771 63.200 -0.207 0.000 0.786 398 S HN 0.389 nan 8.310 nan 0.000 0.492 399 E N 1.316 121.514 120.200 -0.003 0.000 2.204 399 E HA 0.015 4.232 4.350 -0.222 0.000 0.195 399 E C 1.564 178.190 176.600 0.042 0.000 0.990 399 E CA 0.989 57.396 56.400 0.012 0.000 0.821 399 E CB -0.269 29.434 29.700 0.005 0.000 0.750 399 E HN 0.717 nan 8.360 nan 0.000 0.477 400 M N 0.333 119.976 119.600 0.072 0.000 2.383 400 M HA 0.176 4.523 4.480 -0.222 0.000 0.247 400 M C 0.354 176.736 176.300 0.136 0.000 1.117 400 M CA -0.130 55.226 55.300 0.094 0.000 0.995 400 M CB 0.475 33.136 32.600 0.103 0.000 1.480 400 M HN -0.135 nan 8.290 nan 0.000 0.485 401 L N 1.267 122.583 121.223 0.156 0.000 2.456 401 L HA 0.255 4.462 4.340 -0.222 0.000 0.272 401 L C 0.871 177.838 176.870 0.161 0.000 1.189 401 L CA -0.625 54.339 54.840 0.208 0.000 0.846 401 L CB 0.394 42.588 42.059 0.224 0.000 1.111 401 L HN 0.183 nan 8.230 nan 0.000 0.475 402 A N 2.504 125.428 122.820 0.173 0.000 2.296 402 A HA 0.533 4.720 4.320 -0.222 0.000 0.264 402 A C 0.617 178.276 177.584 0.124 0.000 1.097 402 A CA 0.066 52.183 52.037 0.133 0.000 0.811 402 A CB 0.135 19.209 19.000 0.124 0.000 1.072 402 A HN 0.791 nan 8.150 nan 0.000 0.495 403 G N -0.471 108.389 108.800 0.100 0.000 2.484 403 G HA2 0.440 4.267 3.960 -0.222 0.000 0.235 403 G HA3 0.440 4.267 3.960 -0.222 0.000 0.235 403 G C 0.095 175.038 174.900 0.073 0.000 1.282 403 G CA 0.808 45.957 45.100 0.081 0.000 0.857 403 G HN 1.157 nan 8.290 nan 0.000 0.571 404 S N 0.717 116.463 115.700 0.076 0.000 2.579 404 S HA 0.375 4.712 4.470 -0.222 0.000 0.272 404 S C 1.156 175.791 174.600 0.058 0.000 1.141 404 S CA -0.846 57.403 58.200 0.082 0.000 0.843 404 S CB 1.302 64.581 63.200 0.130 0.000 1.122 404 S HN 0.412 nan 8.310 nan 0.000 0.468 405 L N 1.690 122.940 121.223 0.045 0.000 2.056 405 L HA 0.113 4.320 4.340 -0.222 0.000 0.207 405 L C 1.318 178.224 176.870 0.059 0.000 1.078 405 L CA 1.392 56.232 54.840 -0.000 0.000 0.749 405 L CB -0.399 41.633 42.059 -0.044 0.000 0.901 405 L HN 0.882 nan 8.230 nan 0.000 0.433 406 T N -3.381 111.238 114.554 0.108 0.000 2.865 406 T HA 0.786 5.003 4.350 -0.222 0.000 0.294 406 T C -0.912 173.880 174.700 0.153 0.000 1.119 406 T CA -0.463 61.715 62.100 0.131 0.000 1.007 406 T CB 2.605 71.567 68.868 0.157 0.000 1.225 406 T HN 0.050 nan 8.240 nan 0.000 0.515 407 A N 0.928 123.841 122.820 0.155 0.000 2.459 407 A HA 0.729 4.916 4.320 -0.222 0.000 0.296 407 A C -0.399 177.286 177.584 0.168 0.000 1.039 407 A CA -0.774 51.383 52.037 0.200 0.000 0.698 407 A CB 1.574 20.691 19.000 0.194 0.000 1.261 407 A HN 0.916 nan 8.150 nan 0.000 0.405 408 T N 2.188 116.854 114.554 0.188 0.000 2.887 408 T HA 0.713 4.930 4.350 -0.222 0.000 0.288 408 T C -0.519 174.240 174.700 0.098 0.000 1.021 408 T CA -0.184 61.954 62.100 0.063 0.000 1.000 408 T CB 1.009 69.859 68.868 -0.030 0.000 1.034 408 T HN 0.481 nan 8.240 nan 0.000 0.467 409 I N 2.402 122.925 120.570 -0.078 0.000 2.499 409 I HA 0.337 4.374 4.170 -0.222 0.000 0.288 409 I C -0.627 175.201 176.117 -0.481 0.000 1.048 409 I CA -0.863 60.415 61.300 -0.036 0.000 1.062 409 I CB 1.790 39.873 38.000 0.138 0.000 1.238 409 I HN 0.506 nan 8.210 nan 0.000 0.426 410 H N 5.230 124.185 119.070 -0.191 0.000 2.587 410 H HA 0.803 5.226 4.556 -0.222 0.000 0.325 410 H C -0.664 174.586 175.328 -0.130 0.000 1.012 410 H CA -0.345 55.512 56.048 -0.318 0.000 1.213 410 H CB 1.941 31.548 29.762 -0.260 0.000 1.431 410 H HN 0.802 nan 8.280 nan 0.000 0.492 411 A N 2.472 125.163 122.820 -0.215 0.000 2.536 411 A HA 0.638 4.825 4.320 -0.222 0.000 0.293 411 A C -0.367 177.236 177.584 0.032 0.000 1.119 411 A CA -0.478 51.538 52.037 -0.036 0.000 0.654 411 A CB 1.506 20.432 19.000 -0.122 0.000 1.291 411 A HN 0.583 nan 8.150 nan 0.000 0.439 412 T N -2.626 111.961 114.554 0.055 0.000 2.888 412 T HA 0.569 4.787 4.350 -0.222 0.000 0.288 412 T C 0.549 175.090 174.700 -0.266 0.000 1.063 412 T CA 0.098 62.203 62.100 0.009 0.000 1.010 412 T CB 1.261 70.104 68.868 -0.042 0.000 1.214 412 T HN 0.583 nan 8.240 nan 0.000 0.533 413 E N 0.272 120.084 120.200 -0.648 0.000 2.187 413 E HA -0.227 3.990 4.350 -0.222 0.000 0.199 413 E C 1.812 178.017 176.600 -0.659 0.000 1.004 413 E CA 1.672 57.303 56.400 -1.282 0.000 0.813 413 E CB -0.139 29.124 29.700 -0.729 0.000 0.736 413 E HN 0.731 nan 8.360 nan 0.000 0.468 414 E N 0.592 120.598 120.200 -0.324 0.000 2.097 414 E HA -0.204 4.013 4.350 -0.222 0.000 0.196 414 E C 1.409 177.928 176.600 -0.135 0.000 1.000 414 E CA 1.349 57.647 56.400 -0.169 0.000 0.804 414 E CB 0.013 29.659 29.700 -0.089 0.000 0.740 414 E HN 0.323 nan 8.360 nan 0.000 0.454 415 D N -0.529 119.775 120.400 -0.160 0.000 2.349 415 D HA -0.074 4.433 4.640 -0.222 0.000 0.215 415 D C 1.349 177.594 176.300 -0.092 0.000 1.016 415 D CA 0.249 54.115 54.000 -0.223 0.000 0.870 415 D CB -0.011 40.410 40.800 -0.631 0.000 0.917 415 D HN 0.211 nan 8.370 nan 0.000 0.524 416 Y N 0.942 121.134 120.300 -0.179 0.000 2.173 416 Y HA -0.153 4.264 4.550 -0.222 0.000 0.282 416 Y C -0.355 175.467 175.900 -0.130 0.000 1.192 416 Y CA 0.485 58.497 58.100 -0.147 0.000 1.176 416 Y CB -2.013 36.383 38.460 -0.107 0.000 0.969 416 Y HN 0.175 nan 8.280 nan 0.000 0.519 417 P HA -0.138 nan 4.420 nan 0.000 0.216 417 P C 1.401 178.699 177.300 -0.002 0.000 1.153 417 P CA 1.831 64.942 63.100 0.017 0.000 0.848 417 P CB 0.056 31.765 31.700 0.014 0.000 0.787 418 Q N -1.128 118.666 119.800 -0.011 0.000 2.137 418 Q HA -0.035 4.172 4.340 -0.222 0.000 0.198 418 Q C 2.107 178.108 176.000 0.001 0.000 0.960 418 Q CA 0.921 56.744 55.803 0.033 0.000 0.847 418 Q CB -1.343 27.495 28.738 0.168 0.000 0.915 418 Q HN 0.055 nan 8.270 nan 0.000 0.448 419 V N 0.186 120.031 119.914 -0.114 0.000 2.407 419 V HA -0.253 3.734 4.120 -0.222 0.000 0.248 419 V C 1.965 177.999 176.094 -0.099 0.000 1.055 419 V CA 1.926 64.163 62.300 -0.105 0.000 1.049 419 V CB -0.630 31.110 31.823 -0.140 0.000 0.662 419 V HN 0.313 nan 8.190 nan 0.000 0.455 420 S N -0.694 114.942 115.700 -0.106 0.000 2.419 420 S HA -0.212 4.125 4.470 -0.222 0.000 0.235 420 S C 1.980 176.533 174.600 -0.078 0.000 1.019 420 S CA 1.130 59.265 58.200 -0.108 0.000 0.982 420 S CB -0.240 62.908 63.200 -0.087 0.000 0.789 420 S HN 0.579 nan 8.310 nan 0.000 0.490 421 Q N 0.165 119.933 119.800 -0.054 0.000 2.212 421 Q HA 0.162 4.369 4.340 -0.222 0.000 0.199 421 Q C 2.172 178.131 176.000 -0.069 0.000 0.950 421 Q CA 0.512 56.286 55.803 -0.048 0.000 0.863 421 Q CB -0.504 28.220 28.738 -0.025 0.000 0.944 421 Q HN 0.440 nan 8.270 nan 0.000 0.465 422 L N 0.548 121.722 121.223 -0.081 0.000 2.109 422 L HA -0.024 4.183 4.340 -0.222 0.000 0.207 422 L C 2.030 178.811 176.870 -0.147 0.000 1.086 422 L CA 1.142 55.892 54.840 -0.150 0.000 0.760 422 L CB -0.451 41.504 42.059 -0.174 0.000 0.910 422 L HN 0.066 nan 8.230 nan 0.000 0.437 423 I N 0.222 120.726 120.570 -0.109 0.000 2.118 423 I HA -0.267 3.770 4.170 -0.222 0.000 0.241 423 I C -0.316 175.756 176.117 -0.075 0.000 1.070 423 I CA 1.570 62.815 61.300 -0.092 0.000 1.327 423 I CB -1.582 36.356 38.000 -0.104 0.000 1.034 423 I HN 0.252 nan 8.210 nan 0.000 0.405 424 P HA -0.149 nan 4.420 nan 0.000 0.218 424 P C 1.387 178.659 177.300 -0.047 0.000 1.148 424 P CA 1.491 64.559 63.100 -0.053 0.000 0.822 424 P CB -0.062 31.608 31.700 -0.050 0.000 0.784 425 R N -0.935 119.526 120.500 -0.065 0.000 2.090 425 R HA 0.047 4.254 4.340 -0.222 0.000 0.228 425 R C 2.239 178.512 176.300 -0.045 0.000 1.110 425 R CA 0.988 57.052 56.100 -0.061 0.000 0.973 425 R CB -0.812 29.429 30.300 -0.098 0.000 0.869 425 R HN 0.241 nan 8.270 nan 0.000 0.440 426 L N 0.457 121.643 121.223 -0.061 0.000 2.240 426 L HA -0.066 4.141 4.340 -0.222 0.000 0.211 426 L C 1.996 178.872 176.870 0.010 0.000 1.106 426 L CA 1.033 55.863 54.840 -0.016 0.000 0.793 426 L CB -0.320 41.723 42.059 -0.027 0.000 0.927 426 L HN 0.214 nan 8.230 nan 0.000 0.446 427 E N 0.509 120.705 120.200 -0.007 0.000 2.160 427 E HA -0.238 3.979 4.350 -0.222 0.000 0.195 427 E C 1.839 178.445 176.600 0.010 0.000 0.991 427 E CA 1.187 57.588 56.400 0.000 0.000 0.810 427 E CB 0.034 29.726 29.700 -0.014 0.000 0.742 427 E HN 0.533 nan 8.360 nan 0.000 0.466 428 E N -0.068 120.137 120.200 0.008 0.000 2.358 428 E HA -0.115 4.102 4.350 -0.222 0.000 0.195 428 E C 1.578 178.196 176.600 0.031 0.000 1.010 428 E CA 0.697 57.106 56.400 0.014 0.000 0.856 428 E CB 0.140 29.845 29.700 0.008 0.000 0.795 428 E HN 0.372 nan 8.360 nan 0.000 0.504 429 I N -4.059 116.538 120.570 0.044 0.000 4.227 429 I HA 0.361 4.399 4.170 -0.222 0.000 0.334 429 I C 0.362 176.523 176.117 0.073 0.000 1.341 429 I CA -0.543 60.797 61.300 0.066 0.000 1.123 429 I CB 1.053 39.106 38.000 0.088 0.000 1.097 429 I HN -0.183 nan 8.210 nan 0.000 0.399 430 A N 0.588 123.447 122.820 0.065 0.000 2.454 430 A HA 0.789 4.976 4.320 -0.222 0.000 0.302 430 A C 0.928 178.544 177.584 0.053 0.000 1.079 430 A CA -0.153 51.926 52.037 0.069 0.000 0.731 430 A CB 1.110 20.165 19.000 0.092 0.000 1.299 430 A HN 0.174 nan 8.150 nan 0.000 0.413 431 G N -0.268 108.561 108.800 0.049 0.000 2.494 431 G HA2 0.252 4.079 3.960 -0.222 0.000 0.216 431 G HA3 0.252 4.079 3.960 -0.222 0.000 0.216 431 G C 0.706 175.642 174.900 0.060 0.000 1.140 431 G CA 0.612 45.739 45.100 0.045 0.000 0.801 431 G HN 0.787 nan 8.290 nan 0.000 0.536 432 R N -0.352 120.192 120.500 0.073 0.000 2.538 432 R HA 0.539 4.746 4.340 -0.222 0.000 0.292 432 R C -1.447 174.904 176.300 0.084 0.000 1.008 432 R CA -0.652 55.498 56.100 0.083 0.000 0.896 432 R CB 1.113 31.480 30.300 0.111 0.000 1.187 432 R HN 0.010 nan 8.270 nan 0.000 0.440 433 L N 4.671 125.935 121.223 0.069 0.000 2.295 433 L HA 0.568 4.775 4.340 -0.222 0.000 0.285 433 L C -0.601 176.310 176.870 0.068 0.000 1.035 433 L CA -1.187 53.694 54.840 0.068 0.000 0.806 433 L CB 1.867 43.953 42.059 0.045 0.000 1.214 433 L HN 0.330 nan 8.230 nan 0.000 0.426 434 V N 3.198 123.150 119.914 0.062 0.000 2.495 434 V HA 0.393 4.380 4.120 -0.222 0.000 0.298 434 V C -0.733 175.358 176.094 -0.005 0.000 1.031 434 V CA -0.517 61.800 62.300 0.029 0.000 0.871 434 V CB 2.004 33.827 31.823 0.000 0.000 0.988 434 V HN 0.420 nan 8.190 nan 0.000 0.432 435 F N 4.582 124.435 119.950 -0.163 0.000 2.444 435 F HA 0.533 4.928 4.527 -0.220 0.000 0.342 435 F C 0.848 176.487 175.800 -0.269 0.000 1.121 435 F CA -0.595 57.278 58.000 -0.213 0.000 0.997 435 F CB 1.121 40.032 39.000 -0.147 0.000 1.130 435 F HN 0.643 nan 8.300 nan 0.000 0.454 436 N N 3.167 121.272 118.700 -0.993 0.000 2.714 436 N HA -0.192 4.415 4.740 -0.222 0.000 0.252 436 N C -0.299 174.960 175.510 -0.419 0.000 1.014 436 N CA 1.189 53.795 53.050 -0.740 0.000 0.735 436 N CB -0.979 37.259 38.487 -0.415 0.000 0.924 436 N HN 1.004 nan 8.380 nan 0.000 0.540 437 G N -1.975 106.445 108.800 -0.632 0.000 2.619 437 G HA2 0.610 4.437 3.960 -0.222 0.000 0.305 437 G HA3 0.610 4.437 3.960 -0.222 0.000 0.305 437 G C -1.728 172.823 174.900 -0.582 0.000 1.330 437 G CA -0.920 43.986 45.100 -0.323 0.000 0.789 437 G HN 0.118 nan 8.290 nan 0.000 0.487 438 W N 0.279 121.662 121.300 0.138 0.000 2.689 438 W HA 0.520 5.057 4.660 -0.206 0.000 0.340 438 W C -1.233 175.357 176.519 0.119 0.000 1.060 438 W CA -1.790 55.650 57.345 0.158 0.000 1.218 438 W CB 2.204 31.753 29.460 0.148 0.000 1.410 438 W HN 0.402 nan 8.180 nan 0.000 0.528 439 P HA -0.146 nan 4.420 nan 0.000 0.226 439 P C 1.329 178.785 177.300 0.261 0.000 1.153 439 P CA 1.733 64.986 63.100 0.256 0.000 0.777 439 P CB -0.076 31.773 31.700 0.248 0.000 0.794 440 T N -1.696 113.006 114.554 0.247 0.000 2.665 440 T HA -0.098 4.119 4.350 -0.222 0.000 0.268 440 T C 1.463 176.338 174.700 0.291 0.000 1.035 440 T CA 1.109 63.330 62.100 0.201 0.000 1.151 440 T CB -1.637 67.157 68.868 -0.123 0.000 0.862 440 T HN 0.184 nan 8.240 nan 0.000 0.438 441 G N 1.001 109.937 108.800 0.228 0.000 2.406 441 G HA2 0.461 4.288 3.960 -0.222 0.000 0.251 441 G HA3 0.461 4.288 3.960 -0.222 0.000 0.251 441 G C -0.847 174.173 174.900 0.201 0.000 1.271 441 G CA -0.563 44.675 45.100 0.231 0.000 0.859 441 G HN 0.421 nan 8.290 nan 0.000 0.540 442 V N 2.934 122.951 119.914 0.171 0.000 2.305 442 V HA 0.164 4.151 4.120 -0.222 0.000 0.275 442 V C 0.033 176.170 176.094 0.073 0.000 1.020 442 V CA -0.836 61.531 62.300 0.112 0.000 0.811 442 V CB 1.055 32.895 31.823 0.028 0.000 1.031 442 V HN 0.869 nan 8.190 nan 0.000 0.439 443 E N 3.792 124.036 120.200 0.074 0.000 2.351 443 E HA 0.131 4.348 4.350 -0.222 0.000 0.266 443 E C -0.278 176.325 176.600 0.004 0.000 1.031 443 E CA 0.063 56.491 56.400 0.046 0.000 0.911 443 E CB 1.139 30.872 29.700 0.055 0.000 0.986 443 E HN 0.444 nan 8.360 nan 0.000 0.446 444 V N 6.089 125.985 119.914 -0.031 0.000 2.223 444 V HA 0.455 4.442 4.120 -0.222 0.000 0.249 444 V C 0.809 176.816 176.094 -0.145 0.000 1.233 444 V CA 0.540 62.781 62.300 -0.098 0.000 1.131 444 V CB -0.137 31.616 31.823 -0.116 0.000 1.298 444 V HN 0.736 nan 8.190 nan 0.000 0.498 445 G N 1.293 110.009 108.800 -0.139 0.000 3.259 445 G HA2 0.374 4.201 3.960 -0.222 0.000 0.178 445 G HA3 0.374 4.201 3.960 -0.222 0.000 0.178 445 G C -0.154 174.567 174.900 -0.299 0.000 1.129 445 G CA -0.161 44.838 45.100 -0.169 0.000 0.816 445 G HN 0.294 nan 8.290 nan 0.000 0.634 446 Y N 0.033 120.311 120.300 -0.038 0.000 2.503 446 Y HA 0.369 4.787 4.550 -0.221 0.000 0.277 446 Y C 2.716 178.623 175.900 0.011 0.000 1.102 446 Y CA 0.872 58.959 58.100 -0.022 0.000 1.261 446 Y CB 0.487 38.939 38.460 -0.014 0.000 1.096 446 Y HN 0.379 nan 8.280 nan 0.000 0.546 447 A N -0.435 122.476 122.820 0.151 0.000 2.275 447 A HA 0.167 4.354 4.320 -0.222 0.000 0.212 447 A C 0.911 178.546 177.584 0.084 0.000 1.201 447 A CA -0.172 51.930 52.037 0.109 0.000 0.843 447 A CB -0.624 18.431 19.000 0.092 0.000 0.873 447 A HN 0.227 nan 8.150 nan 0.000 0.492 448 M N 0.763 120.405 119.600 0.070 0.000 2.249 448 M HA 0.270 4.617 4.480 -0.222 0.000 0.340 448 M C -0.821 175.540 176.300 0.101 0.000 1.166 448 M CA 0.438 55.787 55.300 0.082 0.000 1.115 448 M CB 0.520 33.160 32.600 0.065 0.000 1.606 448 M HN -0.048 nan 8.290 nan 0.000 0.448 449 V N 5.836 125.823 119.914 0.122 0.000 2.385 449 V HA 0.223 4.210 4.120 -0.222 0.000 0.277 449 V C -1.395 174.800 176.094 0.168 0.000 1.012 449 V CA -0.596 61.778 62.300 0.123 0.000 0.832 449 V CB 0.691 32.567 31.823 0.088 0.000 1.028 449 V HN 0.857 nan 8.190 nan 0.000 0.436 450 H N 3.355 122.482 119.070 0.095 0.000 2.673 450 H HA 0.766 5.188 4.556 -0.224 0.000 0.293 450 H C 0.278 175.681 175.328 0.125 0.000 1.065 450 H CA 0.845 56.964 56.048 0.118 0.000 1.236 450 H CB 0.940 30.788 29.762 0.145 0.000 1.389 450 H HN 0.874 nan 8.280 nan 0.000 0.481 451 G N 1.998 110.712 108.800 -0.143 0.000 2.441 451 G HA2 0.468 4.295 3.960 -0.222 0.000 0.222 451 G HA3 0.468 4.295 3.960 -0.222 0.000 0.222 451 G C -0.284 174.602 174.900 -0.024 0.000 1.254 451 G CA -0.183 44.875 45.100 -0.070 0.000 0.959 451 G HN 1.246 nan 8.290 nan 0.000 0.474 452 G N -1.295 107.515 108.800 0.017 0.000 2.357 452 G HA2 0.519 4.346 3.960 -0.222 0.000 0.289 452 G HA3 0.519 4.346 3.960 -0.222 0.000 0.289 452 G C -3.440 171.480 174.900 0.033 0.000 1.302 452 G CA 0.143 45.257 45.100 0.023 0.000 0.936 452 G HN 0.811 nan 8.290 nan 0.000 0.513 453 P HA 0.270 nan 4.420 nan 0.000 0.268 453 P C -0.370 176.982 177.300 0.087 0.000 1.208 453 P CA -0.025 63.114 63.100 0.064 0.000 0.777 453 P CB 0.198 31.935 31.700 0.062 0.000 0.875 454 Y N 5.463 125.749 120.300 -0.023 0.000 2.811 454 Y HA -0.003 4.416 4.550 -0.218 0.000 0.334 454 Y C -1.024 174.871 175.900 -0.008 0.000 1.247 454 Y CA -0.634 57.442 58.100 -0.039 0.000 1.526 454 Y CB 0.224 38.631 38.460 -0.088 0.000 1.284 454 Y HN 0.411 nan 8.280 nan 0.000 0.586 455 P HA 0.052 nan 4.420 nan 0.000 0.255 455 P C 0.691 177.781 177.300 -0.350 0.000 1.248 455 P CA 1.036 63.619 63.100 -0.862 0.000 0.807 455 P CB 0.101 31.345 31.700 -0.760 0.000 1.150 456 A N 1.004 123.741 122.820 -0.139 0.000 1.958 456 A HA -0.089 4.098 4.320 -0.222 0.000 0.221 456 A C 1.311 178.876 177.584 -0.030 0.000 1.178 456 A CA 1.967 53.971 52.037 -0.057 0.000 0.642 456 A CB -0.862 18.127 19.000 -0.018 0.000 0.816 456 A HN 0.498 nan 8.150 nan 0.000 0.453 457 S N -3.921 111.775 115.700 -0.007 0.000 2.570 457 S HA 0.417 4.754 4.470 -0.222 0.000 0.270 457 S C 0.235 174.909 174.600 0.123 0.000 1.149 457 S CA 0.323 58.577 58.200 0.089 0.000 0.837 457 S CB 1.076 64.354 63.200 0.130 0.000 1.124 457 S HN 0.674 nan 8.310 nan 0.000 0.465 458 T N -1.613 113.057 114.554 0.194 0.000 3.129 458 T HA 0.219 4.437 4.350 -0.222 0.000 0.251 458 T C 0.278 175.107 174.700 0.215 0.000 1.117 458 T CA 0.814 62.992 62.100 0.131 0.000 1.034 458 T CB -0.579 68.337 68.868 0.081 0.000 0.968 458 T HN 0.877 nan 8.240 nan 0.000 0.526 459 H N 0.945 120.104 119.070 0.148 0.000 2.699 459 H HA 0.458 4.881 4.556 -0.222 0.000 0.256 459 H C 1.201 176.623 175.328 0.156 0.000 1.376 459 H CA -0.372 55.764 56.048 0.148 0.000 1.549 459 H CB 0.779 30.635 29.762 0.157 0.000 1.686 459 H HN 0.114 nan 8.280 nan 0.000 0.550 460 S N 1.926 117.577 115.700 -0.081 0.000 2.420 460 S HA -0.181 4.156 4.470 -0.222 0.000 0.237 460 S C 1.700 176.217 174.600 -0.138 0.000 1.023 460 S CA 0.791 58.949 58.200 -0.069 0.000 0.991 460 S CB -0.128 63.050 63.200 -0.038 0.000 0.792 460 S HN 0.576 nan 8.310 nan 0.000 0.488 461 A N 1.454 124.049 122.820 -0.374 0.000 2.916 461 A HA 0.594 4.781 4.320 -0.222 0.000 0.254 461 A C 0.694 178.236 177.584 -0.070 0.000 1.544 461 A CA 0.072 51.960 52.037 -0.249 0.000 1.224 461 A CB -0.947 17.887 19.000 -0.276 0.000 1.012 461 A HN 0.915 nan 8.150 nan 0.000 0.636 462 S N -1.588 114.134 115.700 0.036 0.000 2.655 462 S HA 0.707 5.044 4.470 -0.222 0.000 0.266 462 S C -0.672 173.989 174.600 0.102 0.000 1.149 462 S CA -0.063 58.216 58.200 0.131 0.000 0.818 462 S CB 1.396 64.775 63.200 0.298 0.000 1.130 462 S HN 0.739 nan 8.310 nan 0.000 0.476 463 T N 0.063 114.663 114.554 0.077 0.000 2.912 463 T HA 0.621 4.838 4.350 -0.222 0.000 0.299 463 T C 0.610 175.362 174.700 0.086 0.000 1.052 463 T CA 0.116 62.279 62.100 0.105 0.000 0.996 463 T CB 1.565 70.502 68.868 0.115 0.000 1.070 463 T HN 1.365 nan 8.240 nan 0.000 0.465 464 S N 2.279 118.081 115.700 0.171 0.000 2.556 464 S HA 0.375 4.712 4.470 -0.222 0.000 0.216 464 S C 0.220 174.892 174.600 0.121 0.000 0.970 464 S CA -0.210 58.088 58.200 0.162 0.000 0.912 464 S CB 0.106 63.477 63.200 0.285 0.000 0.790 464 S HN 0.503 nan 8.310 nan 0.000 0.504 465 V N 0.936 120.932 119.914 0.138 0.000 2.760 465 V HA 0.815 4.802 4.120 -0.222 0.000 0.309 465 V C 0.337 176.468 176.094 0.062 0.000 1.077 465 V CA 0.121 62.447 62.300 0.044 0.000 0.910 465 V CB 0.892 32.684 31.823 -0.052 0.000 1.008 465 V HN 0.738 nan 8.190 nan 0.000 0.424 466 G N 2.826 111.630 108.800 0.006 0.000 2.570 466 G HA2 0.369 4.196 3.960 -0.222 0.000 0.686 466 G HA3 0.369 4.196 3.960 -0.222 0.000 0.686 466 G C 0.532 175.359 174.900 -0.120 0.000 1.257 466 G CA -0.179 44.864 45.100 -0.095 0.000 0.846 466 G HN 1.556 nan 8.290 nan 0.000 0.627 467 A N -0.331 122.294 122.820 -0.325 0.000 1.986 467 A HA -0.006 4.181 4.320 -0.222 0.000 0.220 467 A C 1.982 179.600 177.584 0.057 0.000 1.171 467 A CA 2.432 54.293 52.037 -0.294 0.000 0.640 467 A CB -0.334 18.431 19.000 -0.392 0.000 0.811 467 A HN 0.746 nan 8.150 nan 0.000 0.451 468 E N -0.139 120.124 120.200 0.104 0.000 2.478 468 E HA 0.019 4.236 4.350 -0.222 0.000 0.198 468 E C 2.006 178.678 176.600 0.121 0.000 1.046 468 E CA 0.782 57.297 56.400 0.192 0.000 0.870 468 E CB -0.506 29.321 29.700 0.211 0.000 0.818 468 E HN 0.633 nan 8.360 nan 0.000 0.527 469 A N 1.195 124.092 122.820 0.128 0.000 2.070 469 A HA -0.106 4.081 4.320 -0.222 0.000 0.220 469 A C 2.169 179.672 177.584 -0.134 0.000 1.159 469 A CA 0.573 52.622 52.037 0.020 0.000 0.656 469 A CB -0.554 18.529 19.000 0.137 0.000 0.800 469 A HN 0.299 nan 8.150 nan 0.000 0.453 470 I N -1.088 119.446 120.570 -0.059 0.000 2.361 470 I HA -0.224 3.813 4.170 -0.222 0.000 0.251 470 I C 1.935 177.913 176.117 -0.232 0.000 1.133 470 I CA 1.167 62.376 61.300 -0.151 0.000 1.413 470 I CB -0.218 37.694 38.000 -0.147 0.000 1.073 470 I HN 0.406 nan 8.210 nan 0.000 0.424 471 H N 0.989 120.028 119.070 -0.050 0.000 2.545 471 H HA -0.058 4.365 4.556 -0.222 0.000 0.282 471 H C 2.070 177.276 175.328 -0.204 0.000 1.020 471 H CA 0.793 56.810 56.048 -0.051 0.000 1.243 471 H CB -0.201 29.568 29.762 0.011 0.000 1.377 471 H HN 0.434 nan 8.280 nan 0.000 0.581 472 R N -0.215 119.981 120.500 -0.507 0.000 2.189 472 R HA -0.120 4.088 4.340 -0.222 0.000 0.223 472 R C 0.880 176.730 176.300 -0.751 0.000 1.092 472 R CA 1.160 56.664 56.100 -0.994 0.000 0.989 472 R CB -0.057 28.930 30.300 -2.189 0.000 0.876 472 R HN 0.392 nan 8.270 nan 0.000 0.457 473 W N 0.612 121.874 121.300 -0.063 0.000 3.102 473 W HA 0.352 4.878 4.660 -0.223 0.000 0.401 473 W C -0.391 176.159 176.519 0.052 0.000 1.070 473 W CA -0.652 56.694 57.345 0.002 0.000 1.921 473 W CB 0.350 29.774 29.460 -0.059 0.000 1.118 473 W HN -0.158 nan 8.180 nan 0.000 0.647 474 L N 1.697 123.047 121.223 0.211 0.000 2.354 474 L HA 0.723 4.930 4.340 -0.222 0.000 0.264 474 L C 0.001 176.980 176.870 0.181 0.000 1.008 474 L CA -1.431 53.537 54.840 0.213 0.000 0.819 474 L CB 2.175 44.385 42.059 0.251 0.000 1.339 474 L HN -0.082 nan 8.230 nan 0.000 0.420 475 R N 0.864 121.464 120.500 0.167 0.000 2.698 475 R HA 0.660 4.868 4.340 -0.222 0.000 0.275 475 R C -3.081 173.294 176.300 0.126 0.000 1.001 475 R CA -1.812 54.368 56.100 0.132 0.000 0.896 475 R CB 1.944 32.310 30.300 0.111 0.000 1.218 475 R HN 0.197 nan 8.270 nan 0.000 0.462 476 P HA 0.234 nan 4.420 nan 0.000 0.281 476 P C -0.811 176.523 177.300 0.057 0.000 1.249 476 P CA -0.548 62.608 63.100 0.095 0.000 0.810 476 P CB 1.630 33.376 31.700 0.078 0.000 1.008 477 V N 1.207 121.154 119.914 0.054 0.000 2.686 477 V HA 0.586 4.573 4.120 -0.222 0.000 0.306 477 V C -0.001 176.024 176.094 -0.114 0.000 1.065 477 V CA -0.868 61.381 62.300 -0.085 0.000 0.894 477 V CB 1.779 33.501 31.823 -0.169 0.000 1.004 477 V HN 0.772 nan 8.190 nan 0.000 0.424 478 A N 4.050 126.756 122.820 -0.190 0.000 2.305 478 A HA 0.871 5.058 4.320 -0.222 0.000 0.322 478 A C -1.467 175.970 177.584 -0.245 0.000 1.187 478 A CA -0.326 51.663 52.037 -0.080 0.000 0.825 478 A CB 0.592 19.577 19.000 -0.025 0.000 1.164 478 A HN 0.731 nan 8.150 nan 0.000 0.498 479 Y N 0.701 121.006 120.300 0.009 0.000 2.328 479 Y HA 0.503 4.920 4.550 -0.222 0.000 0.336 479 Y C 0.322 176.225 175.900 0.004 0.000 0.960 479 Y CA -0.341 57.763 58.100 0.006 0.000 1.134 479 Y CB 1.725 40.186 38.460 0.002 0.000 1.166 479 Y HN 0.738 nan 8.280 nan 0.000 0.464 480 Q N 2.515 122.380 119.800 0.107 0.000 2.333 480 Q HA 0.575 4.782 4.340 -0.222 0.000 0.265 480 Q C 0.181 176.217 176.000 0.060 0.000 0.989 480 Q CA -0.087 55.756 55.803 0.068 0.000 0.842 480 Q CB 1.145 29.903 28.738 0.032 0.000 1.262 480 Q HN 0.965 nan 8.270 nan 0.000 0.451 481 A N 3.097 125.948 122.820 0.052 0.000 2.847 481 A HA -0.204 3.983 4.320 -0.222 0.000 0.263 481 A C -0.641 176.968 177.584 0.041 0.000 1.391 481 A CA 0.542 52.602 52.037 0.038 0.000 0.866 481 A CB -1.945 17.071 19.000 0.028 0.000 1.057 481 A HN 0.618 nan 8.150 nan 0.000 0.673 482 L N 1.192 122.450 121.223 0.059 0.000 2.417 482 L HA 0.468 4.675 4.340 -0.222 0.000 0.268 482 L C -1.003 175.882 176.870 0.025 0.000 1.158 482 L CA -1.071 53.801 54.840 0.054 0.000 0.819 482 L CB 0.188 42.300 42.059 0.088 0.000 1.112 482 L HN 0.333 nan 8.230 nan 0.000 0.458 483 P HA 0.094 nan 4.420 nan 0.000 0.274 483 P C 0.030 177.325 177.300 -0.008 0.000 1.231 483 P CA -0.444 62.659 63.100 0.005 0.000 0.790 483 P CB 0.844 32.548 31.700 0.006 0.000 0.951 484 E N 1.056 121.247 120.200 -0.015 0.000 2.114 484 E HA -0.179 4.038 4.350 -0.222 0.000 0.199 484 E C 1.866 178.447 176.600 -0.032 0.000 1.008 484 E CA 2.157 58.540 56.400 -0.028 0.000 0.810 484 E CB -0.813 28.873 29.700 -0.024 0.000 0.739 484 E HN 0.612 nan 8.360 nan 0.000 0.456 485 S N 0.156 115.844 115.700 -0.020 0.000 2.447 485 S HA -0.052 4.285 4.470 -0.222 0.000 0.233 485 S C 1.971 176.561 174.600 -0.017 0.000 1.006 485 S CA 0.633 58.823 58.200 -0.018 0.000 0.957 485 S CB -0.244 62.951 63.200 -0.008 0.000 0.773 485 S HN 0.189 nan 8.310 nan 0.000 0.507 486 L N 0.310 121.525 121.223 -0.014 0.000 2.607 486 L HA 0.427 4.634 4.340 -0.222 0.000 0.228 486 L C 0.246 177.098 176.870 -0.030 0.000 1.123 486 L CA -0.089 54.748 54.840 -0.004 0.000 0.890 486 L CB -0.041 42.031 42.059 0.020 0.000 1.103 486 L HN 0.229 nan 8.230 nan 0.000 0.468 487 L N 1.490 122.669 121.223 -0.075 0.000 2.357 487 L HA 0.347 4.554 4.340 -0.222 0.000 0.273 487 L C -1.852 174.900 176.870 -0.196 0.000 1.080 487 L CA -1.851 52.883 54.840 -0.176 0.000 0.803 487 L CB 1.025 42.979 42.059 -0.175 0.000 1.174 487 L HN -0.177 nan 8.230 nan 0.000 0.443 488 P HA 0.005 nan 4.420 nan 0.000 0.269 488 P C -0.420 176.756 177.300 -0.207 0.000 1.215 488 P CA -0.305 62.660 63.100 -0.224 0.000 0.780 488 P CB 0.863 32.399 31.700 -0.274 0.000 0.898 489 D N 0.818 121.124 120.400 -0.157 0.000 2.158 489 D HA -0.159 4.348 4.640 -0.222 0.000 0.197 489 D C 1.961 178.145 176.300 -0.194 0.000 0.995 489 D CA 2.054 55.969 54.000 -0.142 0.000 0.846 489 D CB -0.584 40.156 40.800 -0.100 0.000 0.941 489 D HN 0.483 nan 8.370 nan 0.000 0.456 490 S N -0.057 115.461 115.700 -0.303 0.000 2.419 490 S HA -0.103 4.234 4.470 -0.222 0.000 0.233 490 S C 1.897 176.340 174.600 -0.261 0.000 1.016 490 S CA 0.660 58.627 58.200 -0.389 0.000 0.974 490 S CB -0.329 62.407 63.200 -0.774 0.000 0.786 490 S HN 0.295 nan 8.310 nan 0.000 0.492 491 L N -0.108 120.968 121.223 -0.245 0.000 2.766 491 L HA 0.339 4.546 4.340 -0.222 0.000 0.242 491 L C 0.422 177.206 176.870 -0.144 0.000 1.136 491 L CA -0.274 54.452 54.840 -0.191 0.000 0.933 491 L CB 0.027 41.937 42.059 -0.247 0.000 1.241 491 L HN 0.071 nan 8.230 nan 0.000 0.522 492 K N 0.619 120.939 120.400 -0.133 0.000 2.436 492 K HA 0.155 4.342 4.320 -0.222 0.000 0.275 492 K C 1.335 177.894 176.600 -0.069 0.000 0.999 492 K CA 0.255 56.486 56.287 -0.094 0.000 0.980 492 K CB 1.424 33.874 32.500 -0.082 0.000 0.919 492 K HN 0.055 nan 8.250 nan 0.000 0.484 493 A N 3.719 126.508 122.820 -0.051 0.000 1.927 493 A HA -0.265 3.922 4.320 -0.222 0.000 0.220 493 A C 1.757 179.320 177.584 -0.034 0.000 1.185 493 A CA 2.108 54.122 52.037 -0.037 0.000 0.639 493 A CB -0.586 18.397 19.000 -0.028 0.000 0.820 493 A HN 0.932 nan 8.150 nan 0.000 0.451 494 E N -1.091 119.088 120.200 -0.035 0.000 2.347 494 E HA -0.115 4.102 4.350 -0.222 0.000 0.196 494 E C 0.504 177.084 176.600 -0.033 0.000 1.008 494 E CA 0.401 56.783 56.400 -0.030 0.000 0.852 494 E CB -0.364 29.320 29.700 -0.027 0.000 0.783 494 E HN 0.448 nan 8.360 nan 0.000 0.505 495 N N 1.526 120.199 118.700 -0.045 0.000 2.696 495 N HA -0.123 4.484 4.740 -0.222 0.000 0.256 495 N C -1.628 173.857 175.510 -0.041 0.000 1.031 495 N CA 0.782 53.802 53.050 -0.050 0.000 0.730 495 N CB -0.411 38.052 38.487 -0.040 0.000 0.894 495 N HN 0.249 nan 8.380 nan 0.000 0.544 496 P HA -0.156 nan 4.420 nan 0.000 0.221 496 P C 1.491 178.775 177.300 -0.026 0.000 1.145 496 P CA 0.933 64.014 63.100 -0.032 0.000 0.795 496 P CB 0.163 31.842 31.700 -0.035 0.000 0.775 497 L N -0.782 120.419 121.223 -0.036 0.000 2.446 497 L HA 0.087 4.294 4.340 -0.222 0.000 0.219 497 L C 0.678 177.544 176.870 -0.007 0.000 1.116 497 L CA 0.360 55.188 54.840 -0.020 0.000 0.844 497 L CB -0.934 41.105 42.059 -0.034 0.000 0.970 497 L HN -0.028 nan 8.230 nan 0.000 0.457 498 E N 1.062 121.253 120.200 -0.016 0.000 2.416 498 E HA -0.220 3.997 4.350 -0.222 0.000 0.249 498 E C -0.022 176.578 176.600 0.001 0.000 1.124 498 E CA 0.370 56.765 56.400 -0.008 0.000 0.732 498 E CB -1.858 27.842 29.700 -0.001 0.000 1.286 498 E HN 0.644 nan 8.360 nan 0.000 0.394 499 I N -3.090 117.477 120.570 -0.005 0.000 2.934 499 I HA 0.661 4.698 4.170 -0.222 0.000 0.315 499 I C 0.601 176.720 176.117 0.004 0.000 0.997 499 I CA -0.995 60.312 61.300 0.011 0.000 1.184 499 I CB 1.072 39.083 38.000 0.017 0.000 1.400 499 I HN -0.006 nan 8.210 nan 0.000 0.549 500 A N 3.746 126.576 122.820 0.016 0.000 2.409 500 A HA 0.565 4.752 4.320 -0.222 0.000 0.262 500 A C -0.026 177.562 177.584 0.007 0.000 1.113 500 A CA -0.411 51.633 52.037 0.012 0.000 0.790 500 A CB 0.105 19.117 19.000 0.021 0.000 1.046 500 A HN 0.816 nan 8.150 nan 0.000 0.496 501 R N 1.232 121.732 120.500 -0.001 0.000 2.673 501 R HA 0.616 4.824 4.340 -0.222 0.000 0.281 501 R C -0.904 175.395 176.300 -0.001 0.000 0.991 501 R CA -0.636 55.461 56.100 -0.004 0.000 0.896 501 R CB 2.402 32.691 30.300 -0.019 0.000 1.201 501 R HN 0.769 nan 8.270 nan 0.000 0.457 502 A N 2.424 125.245 122.820 0.003 0.000 2.260 502 A HA 0.527 4.714 4.320 -0.222 0.000 0.308 502 A C -0.325 177.260 177.584 0.002 0.000 1.254 502 A CA -0.557 51.483 52.037 0.003 0.000 0.874 502 A CB 0.843 19.847 19.000 0.007 0.000 1.153 502 A HN 0.374 nan 8.150 nan 0.000 0.527 503 V N 3.264 123.178 119.914 0.000 0.000 2.417 503 V HA 0.288 4.275 4.120 -0.222 0.000 0.291 503 V C -0.225 175.871 176.094 0.002 0.000 1.024 503 V CA -0.510 61.790 62.300 0.000 0.000 0.861 503 V CB 1.213 33.035 31.823 -0.003 0.000 0.985 503 V HN 0.998 nan 8.190 nan 0.000 0.436 504 D N 4.367 124.769 120.400 0.004 0.000 2.702 504 D HA -0.230 4.277 4.640 -0.222 0.000 0.233 504 D C 1.349 177.651 176.300 0.003 0.000 1.164 504 D CA 1.504 55.507 54.000 0.004 0.000 0.638 504 D CB -0.974 39.827 40.800 0.003 0.000 1.041 504 D HN 1.394 nan 8.370 nan 0.000 0.422 505 G N -0.516 108.287 108.800 0.004 0.000 2.234 505 G HA2 -0.398 3.429 3.960 -0.222 0.000 0.260 505 G HA3 -0.398 3.429 3.960 -0.222 0.000 0.260 505 G C 0.454 175.355 174.900 0.002 0.000 0.987 505 G CA 0.588 45.690 45.100 0.003 0.000 0.625 505 G HN 0.498 nan 8.290 nan 0.000 0.532 506 K N 1.211 121.611 120.400 0.001 0.000 2.550 506 K HA 0.382 4.569 4.320 -0.222 0.000 0.280 506 K C 1.247 177.847 176.600 -0.000 0.000 0.987 506 K CA 0.208 56.495 56.287 -0.000 0.000 1.048 506 K CB 0.357 32.856 32.500 -0.001 0.000 0.879 506 K HN 1.033 nan 8.250 nan 0.000 0.491 507 A N 3.145 125.964 122.820 -0.001 0.000 2.498 507 A HA 0.172 4.359 4.320 -0.222 0.000 0.287 507 A C 0.627 178.211 177.584 -0.001 0.000 1.000 507 A CA 0.904 52.940 52.037 -0.002 0.000 1.036 507 A CB -1.373 17.625 19.000 -0.003 0.000 0.842 507 A HN 1.071 nan 8.150 nan 0.000 0.474 508 A N 0.000 122.820 122.820 0.000 0.000 2.254 508 A HA 0.000 4.187 4.320 -0.222 0.000 0.244 508 A CA 0.000 52.038 52.037 0.003 0.000 0.836 508 A CB 0.000 19.000 19.000 0.001 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486