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 2ajf_1_B DATA FIRST_RESID 19 DATA SEQUENCE STIEEQAKTF LDKFNHEAED LFYQSSLASW NYNTNITEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNPDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN VQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYAD 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.618 174.600 0.030 0.000 1.055 19 S CA 0.000 58.215 58.200 0.025 0.000 1.107 19 S CB 0.000 63.215 63.200 0.024 0.000 0.593 20 T N 1.504 116.077 114.554 0.031 0.000 2.855 20 T HA 0.237 4.603 4.350 0.027 0.000 0.322 20 T C 1.831 176.564 174.700 0.056 0.000 1.088 20 T CA 0.056 62.177 62.100 0.034 0.000 1.104 20 T CB -0.260 68.625 68.868 0.028 0.000 0.996 20 T HN 1.028 nan 8.240 nan 0.000 0.549 21 I N 1.747 122.352 120.570 0.059 0.000 2.454 21 I HA -0.051 4.135 4.170 0.027 0.000 0.254 21 I C 1.901 178.103 176.117 0.142 0.000 1.156 21 I CA 1.623 62.988 61.300 0.108 0.000 1.433 21 I CB -1.469 36.579 38.000 0.080 0.000 1.082 21 I HN 0.883 nan 8.210 nan 0.000 0.432 22 E N 1.338 121.587 120.200 0.081 0.000 2.031 22 E HA -0.298 4.068 4.350 0.027 0.000 0.193 22 E C 2.104 178.734 176.600 0.051 0.000 0.994 22 E CA 1.584 58.016 56.400 0.054 0.000 0.800 22 E CB -0.009 29.710 29.700 0.032 0.000 0.752 22 E HN 0.507 nan 8.360 nan 0.000 0.447 23 E N 0.413 120.646 120.200 0.055 0.000 2.153 23 E HA -0.227 4.139 4.350 0.027 0.000 0.194 23 E C 2.028 178.672 176.600 0.073 0.000 0.988 23 E CA 1.805 58.236 56.400 0.053 0.000 0.811 23 E CB -0.008 29.720 29.700 0.046 0.000 0.746 23 E HN 0.483 nan 8.360 nan 0.000 0.466 24 Q N -1.209 118.661 119.800 0.116 0.000 2.269 24 Q HA 0.113 4.469 4.340 0.027 0.000 0.201 24 Q C 2.066 178.160 176.000 0.156 0.000 0.946 24 Q CA 0.961 56.869 55.803 0.175 0.000 0.877 24 Q CB -0.022 28.855 28.738 0.232 0.000 0.963 24 Q HN 0.197 nan 8.270 nan 0.000 0.472 25 A N 2.121 124.957 122.820 0.026 0.000 1.929 25 A HA -0.103 4.233 4.320 0.027 0.000 0.216 25 A C 2.010 179.543 177.584 -0.085 0.000 1.176 25 A CA 1.222 53.069 52.037 -0.317 0.000 0.628 25 A CB -0.253 18.556 19.000 -0.318 0.000 0.816 25 A HN 0.287 nan 8.150 nan 0.000 0.444 26 K N -0.636 119.757 120.400 -0.013 0.000 2.152 26 K HA -0.108 4.228 4.320 0.027 0.000 0.206 26 K C 1.958 178.581 176.600 0.037 0.000 1.048 26 K CA 1.761 58.056 56.287 0.013 0.000 0.933 26 K CB -0.328 32.185 32.500 0.022 0.000 0.721 26 K HN 0.487 nan 8.250 nan 0.000 0.447 27 T N 0.896 115.488 114.554 0.063 0.000 2.812 27 T HA -0.104 4.262 4.350 0.027 0.000 0.264 27 T C 1.446 176.208 174.700 0.104 0.000 1.042 27 T CA 0.871 63.021 62.100 0.082 0.000 1.140 27 T CB -0.294 68.633 68.868 0.098 0.000 0.870 27 T HN 0.242 nan 8.240 nan 0.000 0.445 28 F N 1.667 121.596 119.950 -0.035 0.000 2.095 28 F HA -0.112 4.430 4.527 0.026 0.000 0.298 28 F C 1.864 177.668 175.800 0.007 0.000 1.104 28 F CA 0.896 58.873 58.000 -0.039 0.000 1.232 28 F CB -0.288 38.585 39.000 -0.211 0.000 0.987 28 F HN -0.029 nan 8.300 nan 0.000 0.475 29 L N 0.902 122.013 121.223 -0.186 0.000 2.042 29 L HA -0.250 4.106 4.340 0.027 0.000 0.210 29 L C 2.068 178.919 176.870 -0.032 0.000 1.076 29 L CA 1.787 56.519 54.840 -0.180 0.000 0.749 29 L CB -1.419 40.603 42.059 -0.061 0.000 0.893 29 L HN 0.150 nan 8.230 nan 0.000 0.432 30 D N -0.661 119.757 120.400 0.031 0.000 2.092 30 D HA -0.220 4.436 4.640 0.027 0.000 0.193 30 D C 2.214 178.627 176.300 0.188 0.000 0.994 30 D CA 1.128 55.215 54.000 0.144 0.000 0.828 30 D CB -0.081 40.790 40.800 0.118 0.000 0.963 30 D HN 0.232 nan 8.370 nan 0.000 0.450 31 K N -0.115 120.312 120.400 0.045 0.000 2.044 31 K HA -0.207 4.129 4.320 0.027 0.000 0.210 31 K C 2.272 178.898 176.600 0.043 0.000 1.049 31 K CA 1.048 57.348 56.287 0.022 0.000 0.927 31 K CB -0.577 31.936 32.500 0.021 0.000 0.713 31 K HN 0.156 nan 8.250 nan 0.000 0.443 32 F N 2.148 121.970 119.950 -0.213 0.000 2.051 32 F HA -0.200 4.343 4.527 0.027 0.000 0.296 32 F C 1.940 177.689 175.800 -0.085 0.000 1.122 32 F CA 2.198 60.081 58.000 -0.194 0.000 1.201 32 F CB -0.571 38.156 39.000 -0.455 0.000 0.978 32 F HN 0.223 nan 8.300 nan 0.000 0.472 33 N N -1.184 117.584 118.700 0.113 0.000 2.060 33 N HA -0.296 4.460 4.740 0.027 0.000 0.195 33 N C 1.549 176.946 175.510 -0.188 0.000 1.028 33 N CA 1.777 54.820 53.050 -0.013 0.000 0.861 33 N CB -0.373 38.127 38.487 0.021 0.000 1.029 33 N HN 0.418 nan 8.380 nan 0.000 0.428 34 H N 0.341 119.347 119.070 -0.107 0.000 2.326 34 H HA -0.030 4.542 4.556 0.027 0.000 0.301 34 H C 1.886 177.101 175.328 -0.189 0.000 1.081 34 H CA 0.992 56.972 56.048 -0.112 0.000 1.334 34 H CB -0.214 29.506 29.762 -0.070 0.000 1.385 34 H HN 0.276 nan 8.280 nan 0.000 0.504 35 E N 0.194 120.337 120.200 -0.094 0.000 2.153 35 E HA -0.169 4.197 4.350 0.027 0.000 0.194 35 E C 2.064 178.407 176.600 -0.428 0.000 0.988 35 E CA 0.848 57.123 56.400 -0.209 0.000 0.811 35 E CB 0.007 29.642 29.700 -0.109 0.000 0.746 35 E HN 0.506 nan 8.360 nan 0.000 0.466 36 A N 0.506 122.977 122.820 -0.581 0.000 1.871 36 A HA -0.082 4.254 4.320 0.027 0.000 0.211 36 A C 1.895 179.228 177.584 -0.418 0.000 1.207 36 A CA 1.032 52.696 52.037 -0.622 0.000 0.620 36 A CB -0.467 17.850 19.000 -1.139 0.000 0.860 36 A HN 0.243 nan 8.150 nan 0.000 0.450 37 E N 0.535 120.480 120.200 -0.426 0.000 2.181 37 E HA -0.351 4.015 4.350 0.027 0.000 0.225 37 E C 1.538 178.156 176.600 0.030 0.000 1.073 37 E CA 2.459 58.816 56.400 -0.071 0.000 0.916 37 E CB -0.384 29.278 29.700 -0.064 0.000 0.793 37 E HN 0.680 nan 8.360 nan 0.000 0.472 38 D N -1.239 119.125 120.400 -0.060 0.000 2.149 38 D HA -0.072 4.584 4.640 0.027 0.000 0.201 38 D C 2.077 178.373 176.300 -0.006 0.000 0.972 38 D CA 0.967 54.951 54.000 -0.027 0.000 0.835 38 D CB -0.108 40.647 40.800 -0.074 0.000 0.966 38 D HN 0.286 nan 8.370 nan 0.000 0.476 39 L N -0.498 120.671 121.223 -0.090 0.000 2.093 39 L HA -0.052 4.304 4.340 0.027 0.000 0.208 39 L C 2.056 178.898 176.870 -0.046 0.000 1.085 39 L CA 0.645 55.445 54.840 -0.066 0.000 0.755 39 L CB -0.356 41.594 42.059 -0.182 0.000 0.904 39 L HN 0.164 nan 8.230 nan 0.000 0.435 40 F N -0.820 118.960 119.950 -0.283 0.000 2.146 40 F HA -0.288 4.255 4.527 0.027 0.000 0.298 40 F C 2.434 178.082 175.800 -0.253 0.000 1.096 40 F CA 1.375 59.026 58.000 -0.582 0.000 1.275 40 F CB -0.352 38.375 39.000 -0.455 0.000 1.008 40 F HN 0.000 nan 8.300 nan 0.000 0.480 41 Y N 1.246 121.501 120.300 -0.074 0.000 2.097 41 Y HA -0.318 4.247 4.550 0.026 0.000 0.282 41 Y C 2.610 178.401 175.900 -0.181 0.000 1.152 41 Y CA 2.409 60.447 58.100 -0.104 0.000 1.136 41 Y CB -0.812 37.625 38.460 -0.038 0.000 0.975 41 Y HN 0.181 nan 8.280 nan 0.000 0.498 42 Q N -0.850 118.918 119.800 -0.053 0.000 2.002 42 Q HA -0.258 4.098 4.340 0.027 0.000 0.204 42 Q C 2.605 178.488 176.000 -0.195 0.000 0.988 42 Q CA 2.179 57.923 55.803 -0.099 0.000 0.843 42 Q CB -0.580 28.141 28.738 -0.029 0.000 0.908 42 Q HN 0.468 nan 8.270 nan 0.000 0.420 43 S N -0.069 115.478 115.700 -0.255 0.000 2.378 43 S HA -0.262 4.224 4.470 0.027 0.000 0.229 43 S C 1.974 176.394 174.600 -0.299 0.000 1.052 43 S CA 1.996 60.022 58.200 -0.291 0.000 1.084 43 S CB -0.367 62.547 63.200 -0.477 0.000 0.950 43 S HN 0.440 nan 8.310 nan 0.000 0.440 44 S N 1.609 117.014 115.700 -0.491 0.000 2.382 44 S HA 0.014 4.500 4.470 0.027 0.000 0.228 44 S C 1.855 176.401 174.600 -0.091 0.000 1.027 44 S CA 1.358 59.356 58.200 -0.337 0.000 0.991 44 S CB -0.518 62.350 63.200 -0.554 0.000 0.823 44 S HN 0.472 nan 8.310 nan 0.000 0.469 45 L N 1.028 122.097 121.223 -0.257 0.000 2.027 45 L HA -0.112 4.244 4.340 0.027 0.000 0.206 45 L C 2.901 179.780 176.870 0.015 0.000 1.074 45 L CA 1.319 56.055 54.840 -0.172 0.000 0.745 45 L CB -0.804 41.099 42.059 -0.261 0.000 0.898 45 L HN 0.369 nan 8.230 nan 0.000 0.433 46 A N -0.938 121.881 122.820 -0.001 0.000 1.898 46 A HA -0.223 4.113 4.320 0.027 0.000 0.216 46 A C 2.524 180.183 177.584 0.127 0.000 1.181 46 A CA 1.871 53.938 52.037 0.051 0.000 0.620 46 A CB -0.707 18.305 19.000 0.020 0.000 0.819 46 A HN 0.361 nan 8.150 nan 0.000 0.442 47 S N -1.487 114.301 115.700 0.147 0.000 2.374 47 S HA -0.221 4.265 4.470 0.027 0.000 0.227 47 S C 1.756 176.582 174.600 0.377 0.000 1.037 47 S CA 1.692 60.070 58.200 0.296 0.000 1.024 47 S CB -0.452 62.920 63.200 0.286 0.000 0.861 47 S HN 0.753 nan 8.310 nan 0.000 0.456 48 W N 1.982 123.309 121.300 0.046 0.000 2.418 48 W HA -0.066 4.610 4.660 0.026 0.000 0.292 48 W C 1.495 177.876 176.519 -0.230 0.000 1.213 48 W CA 1.313 58.459 57.345 -0.331 0.000 1.283 48 W CB -0.792 28.401 29.460 -0.446 0.000 1.119 48 W HN 0.486 nan 8.180 nan 0.000 0.542 49 N N -0.669 118.065 118.700 0.057 0.000 2.270 49 N HA -0.232 4.524 4.740 0.027 0.000 0.181 49 N C 1.685 177.163 175.510 -0.054 0.000 1.016 49 N CA 1.547 54.588 53.050 -0.015 0.000 0.870 49 N CB -0.804 37.719 38.487 0.060 0.000 0.979 49 N HN 0.127 nan 8.380 nan 0.000 0.431 50 Y N 2.053 122.311 120.300 -0.070 0.000 2.109 50 Y HA -0.035 4.531 4.550 0.026 0.000 0.285 50 Y C 1.449 177.282 175.900 -0.110 0.000 1.131 50 Y CA 1.463 59.528 58.100 -0.057 0.000 1.121 50 Y CB -0.525 37.933 38.460 -0.003 0.000 0.987 50 Y HN -0.069 nan 8.280 nan 0.000 0.495 51 N N -0.587 117.801 118.700 -0.520 0.000 2.519 51 N HA -0.094 4.662 4.740 0.027 0.000 0.186 51 N C 1.361 176.490 175.510 -0.636 0.000 1.062 51 N CA 1.695 54.361 53.050 -0.640 0.000 0.910 51 N CB -0.150 38.207 38.487 -0.216 0.000 0.958 51 N HN 0.663 nan 8.380 nan 0.000 0.445 52 T N -4.418 109.742 114.554 -0.656 0.000 3.000 52 T HA 0.096 4.462 4.350 0.027 0.000 0.248 52 T C 0.513 174.987 174.700 -0.377 0.000 1.034 52 T CA -0.128 61.611 62.100 -0.602 0.000 1.060 52 T CB 0.257 68.654 68.868 -0.785 0.000 0.983 52 T HN 0.036 nan 8.240 nan 0.000 0.482 53 N N 1.044 119.553 118.700 -0.318 0.000 2.707 53 N HA 0.275 5.031 4.740 0.027 0.000 0.249 53 N C -1.213 174.217 175.510 -0.133 0.000 1.299 53 N CA -0.298 52.643 53.050 -0.182 0.000 0.769 53 N CB 0.815 39.231 38.487 -0.118 0.000 1.236 53 N HN 0.294 nan 8.380 nan 0.000 0.524 54 I N 2.578 123.051 120.570 -0.162 0.000 2.483 54 I HA 0.086 4.272 4.170 0.027 0.000 0.291 54 I C 0.084 176.232 176.117 0.052 0.000 1.112 54 I CA 0.539 61.804 61.300 -0.057 0.000 1.350 54 I CB 0.465 38.407 38.000 -0.096 0.000 1.419 54 I HN 0.214 nan 8.210 nan 0.000 0.523 55 T N 3.184 117.809 114.554 0.119 0.000 2.883 55 T HA 0.145 4.511 4.350 0.027 0.000 0.296 55 T C 0.699 175.461 174.700 0.103 0.000 1.117 55 T CA -0.591 61.560 62.100 0.085 0.000 1.006 55 T CB 2.302 71.201 68.868 0.052 0.000 1.191 55 T HN 0.490 nan 8.240 nan 0.000 0.508 56 E N 1.355 121.594 120.200 0.066 0.000 2.160 56 E HA -0.190 4.176 4.350 0.027 0.000 0.195 56 E C 1.898 178.521 176.600 0.037 0.000 0.991 56 E CA 2.114 58.543 56.400 0.047 0.000 0.810 56 E CB -0.013 29.706 29.700 0.033 0.000 0.742 56 E HN 0.803 nan 8.360 nan 0.000 0.466 57 E N -0.630 119.594 120.200 0.041 0.000 2.072 57 E HA -0.157 4.209 4.350 0.027 0.000 0.190 57 E C 1.725 178.350 176.600 0.043 0.000 0.982 57 E CA 1.307 57.727 56.400 0.034 0.000 0.803 57 E CB -0.383 29.335 29.700 0.029 0.000 0.755 57 E HN 0.128 nan 8.360 nan 0.000 0.453 58 N N 0.612 119.356 118.700 0.072 0.000 2.244 58 N HA -0.101 4.655 4.740 0.027 0.000 0.183 58 N C 1.730 177.303 175.510 0.106 0.000 1.016 58 N CA 0.914 54.026 53.050 0.103 0.000 0.866 58 N CB -0.031 38.538 38.487 0.137 0.000 0.980 58 N HN 0.088 nan 8.380 nan 0.000 0.430 59 V N 0.213 120.166 119.914 0.064 0.000 2.488 59 V HA -0.163 3.973 4.120 0.027 0.000 0.246 59 V C 2.065 178.086 176.094 -0.122 0.000 1.046 59 V CA 1.497 63.696 62.300 -0.168 0.000 1.053 59 V CB -0.196 31.483 31.823 -0.239 0.000 0.679 59 V HN 0.204 nan 8.190 nan 0.000 0.458 60 Q N 0.228 120.002 119.800 -0.043 0.000 2.124 60 Q HA -0.174 4.182 4.340 0.027 0.000 0.202 60 Q C 2.074 178.063 176.000 -0.018 0.000 0.977 60 Q CA 2.231 58.018 55.803 -0.027 0.000 0.850 60 Q CB -0.205 28.530 28.738 -0.005 0.000 0.901 60 Q HN 0.669 nan 8.270 nan 0.000 0.429 61 N N -0.663 118.035 118.700 -0.004 0.000 2.142 61 N HA -0.141 4.615 4.740 0.027 0.000 0.186 61 N C 1.614 177.124 175.510 -0.000 0.000 1.023 61 N CA 0.981 54.035 53.050 0.006 0.000 0.852 61 N CB -0.237 38.263 38.487 0.020 0.000 0.998 61 N HN 0.318 nan 8.380 nan 0.000 0.424 62 M N 2.063 121.655 119.600 -0.014 0.000 2.113 62 M HA -0.237 4.259 4.480 0.027 0.000 0.255 62 M C 1.200 177.489 176.300 -0.019 0.000 1.073 62 M CA 2.035 57.324 55.300 -0.018 0.000 1.091 62 M CB -0.669 31.877 32.600 -0.091 0.000 1.309 62 M HN 0.222 nan 8.290 nan 0.000 0.407 63 N N -1.010 117.670 118.700 -0.034 0.000 2.412 63 N HA -0.092 4.664 4.740 0.027 0.000 0.184 63 N C 1.279 176.804 175.510 0.025 0.000 1.101 63 N CA 0.580 53.630 53.050 -0.000 0.000 0.881 63 N CB -0.448 38.029 38.487 -0.016 0.000 0.969 63 N HN 0.344 nan 8.380 nan 0.000 0.459 64 N N 1.368 120.078 118.700 0.017 0.000 2.124 64 N HA -0.012 4.744 4.740 0.027 0.000 0.188 64 N C 1.516 177.055 175.510 0.048 0.000 1.045 64 N CA 1.510 54.578 53.050 0.029 0.000 0.846 64 N CB -0.334 38.164 38.487 0.018 0.000 1.020 64 N HN 0.336 nan 8.380 nan 0.000 0.432 65 A N -0.042 122.799 122.820 0.035 0.000 2.121 65 A HA 0.070 4.406 4.320 0.027 0.000 0.218 65 A C 2.092 179.724 177.584 0.079 0.000 1.154 65 A CA 1.576 53.636 52.037 0.039 0.000 0.679 65 A CB -0.858 18.140 19.000 -0.005 0.000 0.795 65 A HN 0.492 nan 8.150 nan 0.000 0.458 66 G N -0.888 107.962 108.800 0.085 0.000 2.494 66 G HA2 -0.072 3.904 3.960 0.027 0.000 0.216 66 G HA3 -0.072 3.904 3.960 0.027 0.000 0.216 66 G C 1.080 176.122 174.900 0.236 0.000 1.140 66 G CA 0.878 46.076 45.100 0.164 0.000 0.801 66 G HN 0.411 nan 8.290 nan 0.000 0.536 67 D N 0.338 120.829 120.400 0.153 0.000 2.162 67 D HA -0.015 4.641 4.640 0.027 0.000 0.203 67 D C 2.163 178.557 176.300 0.156 0.000 0.967 67 D CA 0.613 54.694 54.000 0.134 0.000 0.840 67 D CB -0.029 40.820 40.800 0.083 0.000 0.972 67 D HN 0.234 nan 8.370 nan 0.000 0.482 68 K N -0.200 120.295 120.400 0.159 0.000 2.442 68 K HA -0.099 4.237 4.320 0.027 0.000 0.198 68 K C 1.689 178.440 176.600 0.252 0.000 1.042 68 K CA 0.455 56.837 56.287 0.158 0.000 0.958 68 K CB 0.208 32.770 32.500 0.104 0.000 0.766 68 K HN 0.314 nan 8.250 nan 0.000 0.474 69 W N -0.199 121.162 121.300 0.102 0.000 2.728 69 W HA 0.052 4.728 4.660 0.026 0.000 0.270 69 W C 1.308 177.983 176.519 0.261 0.000 1.150 69 W CA 0.224 57.675 57.345 0.176 0.000 1.518 69 W CB -0.257 29.279 29.460 0.127 0.000 1.069 69 W HN -0.121 nan 8.180 nan 0.000 0.590 70 S N 1.636 117.423 115.700 0.146 0.000 2.399 70 S HA -0.127 4.359 4.470 0.027 0.000 0.231 70 S C 2.028 176.618 174.600 -0.017 0.000 1.022 70 S CA 1.782 59.983 58.200 0.003 0.000 0.983 70 S CB -0.522 62.754 63.200 0.126 0.000 0.803 70 S HN 0.366 nan 8.310 nan 0.000 0.480 71 A N 0.520 123.374 122.820 0.058 0.000 1.930 71 A HA 0.091 4.427 4.320 0.027 0.000 0.215 71 A C 1.801 179.416 177.584 0.051 0.000 1.176 71 A CA 0.753 52.820 52.037 0.050 0.000 0.632 71 A CB -0.706 18.340 19.000 0.076 0.000 0.819 71 A HN 0.526 nan 8.150 nan 0.000 0.445 72 F N -0.205 119.706 119.950 -0.065 0.000 2.408 72 F HA -0.057 4.486 4.527 0.026 0.000 0.300 72 F C 1.521 177.243 175.800 -0.130 0.000 1.090 72 F CA 0.967 58.921 58.000 -0.075 0.000 1.427 72 F CB -0.019 38.945 39.000 -0.060 0.000 1.070 72 F HN 0.153 nan 8.300 nan 0.000 0.549 73 L N 0.293 121.347 121.223 -0.282 0.000 2.127 73 L HA -0.044 4.311 4.340 0.027 0.000 0.203 73 L C 2.444 179.173 176.870 -0.236 0.000 1.080 73 L CA 1.410 56.037 54.840 -0.356 0.000 0.768 73 L CB -0.839 41.002 42.059 -0.363 0.000 0.924 73 L HN -0.060 nan 8.230 nan 0.000 0.444 74 K N -0.266 120.043 120.400 -0.151 0.000 2.116 74 K HA -0.149 4.187 4.320 0.027 0.000 0.203 74 K C 1.980 178.520 176.600 -0.099 0.000 1.052 74 K CA 0.943 57.171 56.287 -0.098 0.000 0.952 74 K CB 0.105 32.572 32.500 -0.054 0.000 0.729 74 K HN 0.369 nan 8.250 nan 0.000 0.446 75 E N 0.334 120.468 120.200 -0.110 0.000 2.085 75 E HA -0.202 4.164 4.350 0.027 0.000 0.194 75 E C 1.577 178.109 176.600 -0.115 0.000 0.994 75 E CA 1.127 57.474 56.400 -0.089 0.000 0.801 75 E CB 0.278 29.943 29.700 -0.057 0.000 0.743 75 E HN 0.230 nan 8.360 nan 0.000 0.453 76 Q N -0.160 119.501 119.800 -0.232 0.000 2.389 76 Q HA -0.011 4.345 4.340 0.027 0.000 0.204 76 Q C 2.006 177.956 176.000 -0.082 0.000 0.944 76 Q CA 0.428 56.141 55.803 -0.150 0.000 0.908 76 Q CB 0.224 28.785 28.738 -0.296 0.000 1.002 76 Q HN 0.124 nan 8.270 nan 0.000 0.493 77 S N 1.053 116.682 115.700 -0.119 0.000 2.349 77 S HA -0.154 4.332 4.470 0.027 0.000 0.216 77 S C 2.061 176.622 174.600 -0.064 0.000 1.033 77 S CA 2.299 60.444 58.200 -0.091 0.000 1.021 77 S CB -0.350 62.801 63.200 -0.082 0.000 0.968 77 S HN 0.601 nan 8.310 nan 0.000 0.426 78 T N 1.214 115.732 114.554 -0.059 0.000 2.737 78 T HA -0.150 4.216 4.350 0.027 0.000 0.269 78 T C 1.746 176.405 174.700 -0.068 0.000 1.040 78 T CA 1.479 63.544 62.100 -0.057 0.000 1.142 78 T CB -0.787 68.051 68.868 -0.049 0.000 0.861 78 T HN 0.276 nan 8.240 nan 0.000 0.456 79 L N 1.233 122.423 121.223 -0.055 0.000 2.191 79 L HA 0.224 4.580 4.340 0.027 0.000 0.212 79 L C 2.653 179.387 176.870 -0.227 0.000 1.103 79 L CA 1.404 56.194 54.840 -0.084 0.000 0.769 79 L CB -0.940 41.145 42.059 0.043 0.000 0.908 79 L HN 0.404 nan 8.230 nan 0.000 0.438 80 A N -1.887 120.854 122.820 -0.131 0.000 1.984 80 A HA -0.082 4.254 4.320 0.027 0.000 0.214 80 A C 2.059 179.611 177.584 -0.053 0.000 1.173 80 A CA 0.527 52.480 52.037 -0.141 0.000 0.673 80 A CB -0.314 18.687 19.000 0.002 0.000 0.830 80 A HN 0.504 nan 8.150 nan 0.000 0.453 81 Q N -0.835 118.928 119.800 -0.063 0.000 2.515 81 Q HA -0.075 4.281 4.340 0.027 0.000 0.215 81 Q C 1.817 177.775 176.000 -0.070 0.000 0.983 81 Q CA 0.951 56.718 55.803 -0.059 0.000 0.905 81 Q CB -0.295 28.405 28.738 -0.063 0.000 0.961 81 Q HN 0.721 nan 8.270 nan 0.000 0.503 82 M N -0.800 118.743 119.600 -0.095 0.000 2.134 82 M HA -0.079 4.416 4.480 0.027 0.000 0.262 82 M C -0.138 176.046 176.300 -0.194 0.000 1.076 82 M CA 0.826 56.022 55.300 -0.174 0.000 1.143 82 M CB 0.255 32.689 32.600 -0.276 0.000 1.346 82 M HN 0.056 nan 8.290 nan 0.000 0.421 83 Y N 1.694 121.880 120.300 -0.191 0.000 2.610 83 Y HA 0.055 4.621 4.550 0.027 0.000 0.332 83 Y C -1.914 173.925 175.900 -0.102 0.000 1.201 83 Y CA -1.974 56.038 58.100 -0.146 0.000 1.465 83 Y CB -0.520 37.842 38.460 -0.163 0.000 1.283 83 Y HN 0.160 nan 8.280 nan 0.000 0.563 84 P HA 0.086 nan 4.420 nan 0.000 0.293 84 P C 0.215 177.529 177.300 0.024 0.000 1.313 84 P CA -0.349 62.758 63.100 0.011 0.000 0.787 84 P CB 1.449 33.142 31.700 -0.012 0.000 0.910 85 L N 3.686 124.911 121.223 0.004 0.000 1.961 85 L HA -0.086 4.270 4.340 0.027 0.000 0.210 85 L C 1.315 178.183 176.870 -0.004 0.000 1.072 85 L CA 1.697 56.535 54.840 -0.003 0.000 0.749 85 L CB -0.816 41.231 42.059 -0.020 0.000 0.889 85 L HN 0.394 nan 8.230 nan 0.000 0.432 86 Q N 0.002 119.797 119.800 -0.010 0.000 2.465 86 Q HA -0.046 4.310 4.340 0.027 0.000 0.237 86 Q C 0.201 176.199 176.000 -0.005 0.000 1.288 86 Q CA 0.642 56.440 55.803 -0.009 0.000 0.888 86 Q CB 0.070 28.801 28.738 -0.012 0.000 1.570 86 Q HN 0.558 nan 8.270 nan 0.000 0.532 87 E N 2.227 122.427 120.200 0.000 0.000 1.374 87 E HA 0.079 4.445 4.350 0.027 0.000 0.215 87 E C -0.846 175.759 176.600 0.008 0.000 1.048 87 E CA -0.036 56.366 56.400 0.004 0.000 1.129 87 E CB -0.199 29.507 29.700 0.009 0.000 4.608 87 E HN 0.567 nan 8.360 nan 0.000 0.729 88 I N 3.053 123.628 120.570 0.008 0.000 2.471 88 I HA 0.104 4.290 4.170 0.027 0.000 0.286 88 I C 1.202 177.319 176.117 0.001 0.000 1.079 88 I CA 0.006 61.311 61.300 0.008 0.000 1.398 88 I CB 1.147 39.151 38.000 0.007 0.000 1.403 88 I HN 0.177 nan 8.210 nan 0.000 0.530 89 Q N 3.984 123.785 119.800 0.002 0.000 2.297 89 Q HA 0.075 4.431 4.340 0.027 0.000 0.203 89 Q C 0.575 176.572 176.000 -0.004 0.000 0.931 89 Q CA 0.595 56.397 55.803 -0.001 0.000 0.885 89 Q CB 0.124 28.863 28.738 0.002 0.000 0.991 89 Q HN 0.610 nan 8.270 nan 0.000 0.498 90 N N 0.725 119.422 118.700 -0.004 0.000 2.497 90 N HA -0.015 4.741 4.740 0.027 0.000 0.271 90 N C 0.830 176.331 175.510 -0.014 0.000 1.142 90 N CA -0.025 53.020 53.050 -0.008 0.000 0.965 90 N CB 0.912 39.396 38.487 -0.005 0.000 1.077 90 N HN -0.016 nan 8.380 nan 0.000 0.462 91 L N 3.186 124.397 121.223 -0.019 0.000 2.005 91 L HA -0.133 4.223 4.340 0.027 0.000 0.207 91 L C 2.479 179.331 176.870 -0.029 0.000 1.072 91 L CA 1.574 56.399 54.840 -0.026 0.000 0.744 91 L CB -0.911 41.128 42.059 -0.034 0.000 0.895 91 L HN 0.631 nan 8.230 nan 0.000 0.433 92 T N -0.809 113.729 114.554 -0.027 0.000 2.759 92 T HA -0.185 4.181 4.350 0.027 0.000 0.269 92 T C 1.838 176.522 174.700 -0.027 0.000 1.042 92 T CA 1.698 63.782 62.100 -0.028 0.000 1.140 92 T CB -0.599 68.256 68.868 -0.022 0.000 0.864 92 T HN 0.325 nan 8.240 nan 0.000 0.455 93 V N 0.152 120.052 119.914 -0.023 0.000 2.446 93 V HA 0.100 4.236 4.120 0.027 0.000 0.244 93 V C 2.367 178.442 176.094 -0.032 0.000 1.039 93 V CA 1.308 63.592 62.300 -0.026 0.000 1.045 93 V CB -0.787 31.023 31.823 -0.023 0.000 0.681 93 V HN 0.260 nan 8.190 nan 0.000 0.459 94 K N 0.274 120.658 120.400 -0.027 0.000 2.044 94 K HA -0.157 4.179 4.320 0.027 0.000 0.210 94 K C 2.149 178.729 176.600 -0.033 0.000 1.049 94 K CA 2.169 58.440 56.287 -0.027 0.000 0.927 94 K CB -0.438 32.049 32.500 -0.022 0.000 0.713 94 K HN 0.496 nan 8.250 nan 0.000 0.443 95 L N 1.050 122.252 121.223 -0.036 0.000 1.971 95 L HA -0.309 4.047 4.340 0.027 0.000 0.215 95 L C 2.722 179.564 176.870 -0.046 0.000 1.072 95 L CA 1.822 56.638 54.840 -0.041 0.000 0.758 95 L CB -0.442 41.589 42.059 -0.046 0.000 0.889 95 L HN 0.340 nan 8.230 nan 0.000 0.433 96 Q N -0.892 118.881 119.800 -0.046 0.000 2.112 96 Q HA -0.250 4.106 4.340 0.027 0.000 0.206 96 Q C 2.246 178.204 176.000 -0.070 0.000 0.987 96 Q CA 1.261 57.032 55.803 -0.052 0.000 0.858 96 Q CB -0.233 28.478 28.738 -0.044 0.000 0.905 96 Q HN 0.385 nan 8.270 nan 0.000 0.420 97 L N 1.039 122.225 121.223 -0.062 0.000 2.017 97 L HA -0.223 4.133 4.340 0.027 0.000 0.208 97 L C 2.347 179.180 176.870 -0.061 0.000 1.073 97 L CA 1.774 56.577 54.840 -0.062 0.000 0.745 97 L CB -1.321 40.709 42.059 -0.049 0.000 0.894 97 L HN 0.364 nan 8.230 nan 0.000 0.432 98 Q N -0.671 119.098 119.800 -0.052 0.000 2.047 98 Q HA -0.304 4.052 4.340 0.027 0.000 0.211 98 Q C 2.247 178.216 176.000 -0.052 0.000 1.005 98 Q CA 2.355 58.129 55.803 -0.049 0.000 0.866 98 Q CB -0.362 28.351 28.738 -0.041 0.000 0.938 98 Q HN 0.580 nan 8.270 nan 0.000 0.414 99 A N 0.455 123.243 122.820 -0.053 0.000 1.915 99 A HA -0.242 4.093 4.320 0.027 0.000 0.220 99 A C 2.065 179.613 177.584 -0.060 0.000 1.198 99 A CA 1.902 53.911 52.037 -0.047 0.000 0.647 99 A CB -0.758 18.217 19.000 -0.042 0.000 0.825 99 A HN 0.296 nan 8.150 nan 0.000 0.456 100 L N -0.981 120.181 121.223 -0.102 0.000 2.072 100 L HA -0.129 4.227 4.340 0.027 0.000 0.205 100 L C 2.520 179.337 176.870 -0.089 0.000 1.079 100 L CA 1.521 56.278 54.840 -0.138 0.000 0.752 100 L CB -0.448 41.476 42.059 -0.224 0.000 0.906 100 L HN 0.420 nan 8.230 nan 0.000 0.436 101 Q N -0.430 119.327 119.800 -0.071 0.000 2.541 101 Q HA -0.082 4.274 4.340 0.027 0.000 0.215 101 Q C 0.378 176.345 176.000 -0.055 0.000 0.977 101 Q CA 0.099 55.866 55.803 -0.060 0.000 0.934 101 Q CB 0.003 28.707 28.738 -0.056 0.000 0.988 101 Q HN 0.334 nan 8.270 nan 0.000 0.521 102 Q N 0.975 120.751 119.800 -0.041 0.000 2.307 102 Q HA 0.057 4.413 4.340 0.027 0.000 0.261 102 Q C 0.401 176.404 176.000 0.005 0.000 1.051 102 Q CA 0.115 55.910 55.803 -0.013 0.000 0.911 102 Q CB 0.562 29.304 28.738 0.007 0.000 1.227 102 Q HN 0.396 nan 8.270 nan 0.000 0.418 103 N N 2.471 121.177 118.700 0.010 0.000 2.149 103 N HA -0.180 4.576 4.740 0.027 0.000 0.188 103 N C 1.100 176.640 175.510 0.051 0.000 1.019 103 N CA 0.972 54.032 53.050 0.016 0.000 0.857 103 N CB 0.212 38.704 38.487 0.008 0.000 0.997 103 N HN 0.827 nan 8.380 nan 0.000 0.426 104 G N 0.374 109.243 108.800 0.115 0.000 2.531 104 G HA2 -0.341 3.635 3.960 0.027 0.000 0.274 104 G HA3 -0.341 3.635 3.960 0.027 0.000 0.274 104 G C 0.581 175.536 174.900 0.093 0.000 1.159 104 G CA 0.430 45.618 45.100 0.147 0.000 0.969 104 G HN 0.345 nan 8.290 nan 0.000 0.554 105 S N -0.419 115.306 115.700 0.042 0.000 2.535 105 S HA 0.275 4.761 4.470 0.027 0.000 0.214 105 S C 2.258 176.848 174.600 -0.017 0.000 0.980 105 S CA 1.400 59.592 58.200 -0.014 0.000 0.907 105 S CB -0.250 62.933 63.200 -0.029 0.000 0.790 105 S HN 1.151 nan 8.310 nan 0.000 0.510 106 S N 0.583 116.282 115.700 -0.002 0.000 2.474 106 S HA 0.064 4.550 4.470 0.027 0.000 0.235 106 S C 1.004 175.598 174.600 -0.011 0.000 0.997 106 S CA 0.550 58.744 58.200 -0.010 0.000 0.949 106 S CB -0.166 63.028 63.200 -0.010 0.000 0.766 106 S HN 0.343 nan 8.310 nan 0.000 0.517 107 V N 2.766 122.678 119.914 -0.004 0.000 2.743 107 V HA 0.448 4.584 4.120 0.027 0.000 0.356 107 V C -0.793 175.293 176.094 -0.014 0.000 1.594 107 V CA 0.170 62.469 62.300 -0.001 0.000 1.652 107 V CB -0.954 30.881 31.823 0.020 0.000 1.389 107 V HN 0.340 nan 8.190 nan 0.000 0.514 108 L N 2.627 123.835 121.223 -0.025 0.000 2.445 108 L HA 0.490 4.846 4.340 0.027 0.000 0.262 108 L C 0.296 177.147 176.870 -0.032 0.000 0.974 108 L CA -0.671 54.147 54.840 -0.037 0.000 0.822 108 L CB 2.660 44.685 42.059 -0.057 0.000 1.339 108 L HN 0.345 nan 8.230 nan 0.000 0.409 109 S N 0.231 115.912 115.700 -0.032 0.000 2.629 109 S HA -0.066 4.420 4.470 0.027 0.000 0.302 109 S C 1.005 175.588 174.600 -0.029 0.000 1.244 109 S CA -0.164 58.019 58.200 -0.027 0.000 1.098 109 S CB 0.933 64.116 63.200 -0.028 0.000 0.858 109 S HN 0.767 nan 8.310 nan 0.000 0.502 110 E N 3.119 123.305 120.200 -0.023 0.000 2.257 110 E HA -0.320 4.046 4.350 0.027 0.000 0.229 110 E C 0.909 177.495 176.600 -0.024 0.000 1.089 110 E CA 2.749 59.137 56.400 -0.021 0.000 0.947 110 E CB -0.580 29.110 29.700 -0.016 0.000 0.808 110 E HN 0.868 nan 8.360 nan 0.000 0.471 111 D N -0.655 119.730 120.400 -0.025 0.000 2.097 111 D HA -0.098 4.558 4.640 0.027 0.000 0.197 111 D C 1.784 178.063 176.300 -0.035 0.000 0.984 111 D CA 1.495 55.480 54.000 -0.026 0.000 0.826 111 D CB -0.162 40.623 40.800 -0.025 0.000 0.973 111 D HN 0.269 nan 8.370 nan 0.000 0.460 112 K N 0.317 120.692 120.400 -0.042 0.000 2.360 112 K HA -0.044 4.292 4.320 0.027 0.000 0.201 112 K C 2.032 178.593 176.600 -0.065 0.000 1.046 112 K CA 0.545 56.798 56.287 -0.056 0.000 0.945 112 K CB -0.007 32.456 32.500 -0.062 0.000 0.750 112 K HN -0.019 nan 8.250 nan 0.000 0.464 113 S N 1.892 117.560 115.700 -0.053 0.000 2.326 113 S HA -0.118 4.368 4.470 0.027 0.000 0.211 113 S C 1.922 176.493 174.600 -0.048 0.000 1.031 113 S CA 1.250 59.418 58.200 -0.054 0.000 0.985 113 S CB -0.012 63.164 63.200 -0.038 0.000 0.961 113 S HN 0.248 nan 8.310 nan 0.000 0.436 114 K N 1.153 121.534 120.400 -0.033 0.000 2.432 114 K HA 0.031 4.366 4.320 0.027 0.000 0.196 114 K C 1.949 178.533 176.600 -0.026 0.000 1.038 114 K CA 0.862 57.134 56.287 -0.025 0.000 0.986 114 K CB -0.396 32.096 32.500 -0.014 0.000 0.782 114 K HN 0.315 nan 8.250 nan 0.000 0.485 115 R N 1.483 121.964 120.500 -0.032 0.000 2.115 115 R HA -0.063 4.293 4.340 0.027 0.000 0.230 115 R C 2.306 178.583 176.300 -0.039 0.000 1.111 115 R CA 1.080 57.161 56.100 -0.032 0.000 0.976 115 R CB -0.690 29.588 30.300 -0.035 0.000 0.870 115 R HN 0.298 nan 8.270 nan 0.000 0.445 116 L N 0.701 121.890 121.223 -0.057 0.000 2.017 116 L HA -0.078 4.278 4.340 0.027 0.000 0.208 116 L C 1.818 178.663 176.870 -0.041 0.000 1.073 116 L CA 2.121 56.917 54.840 -0.073 0.000 0.745 116 L CB -1.016 40.967 42.059 -0.127 0.000 0.894 116 L HN 0.246 nan 8.230 nan 0.000 0.432 117 N N -0.791 117.888 118.700 -0.035 0.000 2.334 117 N HA -0.178 4.578 4.740 0.027 0.000 0.187 117 N C 1.537 177.044 175.510 -0.004 0.000 1.016 117 N CA 1.723 54.764 53.050 -0.015 0.000 0.879 117 N CB -0.227 38.254 38.487 -0.011 0.000 0.965 117 N HN 0.580 nan 8.380 nan 0.000 0.438 118 T N 0.686 115.236 114.554 -0.007 0.000 2.852 118 T HA 0.052 4.418 4.350 0.027 0.000 0.256 118 T C 1.892 176.595 174.700 0.006 0.000 1.038 118 T CA 0.410 62.509 62.100 -0.001 0.000 1.141 118 T CB 0.086 68.950 68.868 -0.006 0.000 0.869 118 T HN 0.085 nan 8.240 nan 0.000 0.439 119 I N 1.653 122.227 120.570 0.007 0.000 2.118 119 I HA -0.145 4.040 4.170 0.027 0.000 0.241 119 I C 2.429 178.567 176.117 0.035 0.000 1.070 119 I CA 1.387 62.702 61.300 0.025 0.000 1.327 119 I CB -1.475 36.548 38.000 0.039 0.000 1.034 119 I HN 0.243 nan 8.210 nan 0.000 0.405 120 L N 0.371 121.619 121.223 0.042 0.000 2.042 120 L HA -0.257 4.099 4.340 0.027 0.000 0.210 120 L C 2.499 179.376 176.870 0.012 0.000 1.076 120 L CA 1.410 56.271 54.840 0.035 0.000 0.749 120 L CB -0.571 41.512 42.059 0.041 0.000 0.893 120 L HN 0.362 nan 8.230 nan 0.000 0.432 121 N N -0.685 118.024 118.700 0.014 0.000 2.058 121 N HA -0.149 4.606 4.740 0.027 0.000 0.191 121 N C 1.748 177.273 175.510 0.024 0.000 1.037 121 N CA 2.079 55.139 53.050 0.016 0.000 0.848 121 N CB -0.352 38.143 38.487 0.013 0.000 1.021 121 N HN 0.324 nan 8.380 nan 0.000 0.422 122 T N 2.240 116.807 114.554 0.021 0.000 2.684 122 T HA -0.119 4.247 4.350 0.027 0.000 0.267 122 T C 2.159 176.878 174.700 0.032 0.000 1.036 122 T CA 1.193 63.307 62.100 0.024 0.000 1.148 122 T CB -0.160 68.716 68.868 0.014 0.000 0.863 122 T HN 0.213 nan 8.240 nan 0.000 0.436 123 M N 1.168 120.781 119.600 0.022 0.000 2.084 123 M HA -0.143 4.353 4.480 0.027 0.000 0.259 123 M C 2.801 179.127 176.300 0.044 0.000 1.072 123 M CA 1.738 57.050 55.300 0.020 0.000 1.107 123 M CB -0.790 31.799 32.600 -0.018 0.000 1.299 123 M HN 0.281 nan 8.290 nan 0.000 0.413 124 S N 0.036 115.741 115.700 0.009 0.000 2.380 124 S HA -0.196 4.290 4.470 0.027 0.000 0.229 124 S C 1.883 176.562 174.600 0.132 0.000 1.043 124 S CA 2.423 60.633 58.200 0.016 0.000 1.038 124 S CB -0.541 62.656 63.200 -0.005 0.000 0.872 124 S HN 0.677 nan 8.310 nan 0.000 0.456 125 T N 0.896 115.518 114.554 0.114 0.000 2.894 125 T HA 0.064 4.430 4.350 0.027 0.000 0.258 125 T C 1.989 176.782 174.700 0.156 0.000 1.043 125 T CA 1.033 63.215 62.100 0.136 0.000 1.141 125 T CB -0.905 68.016 68.868 0.089 0.000 0.873 125 T HN 0.691 nan 8.240 nan 0.000 0.449 126 I N -1.464 119.178 120.570 0.119 0.000 2.394 126 I HA -0.016 4.170 4.170 0.027 0.000 0.251 126 I C 2.522 178.714 176.117 0.126 0.000 1.136 126 I CA 1.134 62.484 61.300 0.085 0.000 1.425 126 I CB -0.831 37.178 38.000 0.016 0.000 1.079 126 I HN 0.114 nan 8.210 nan 0.000 0.425 127 Y N 2.520 122.868 120.300 0.080 0.000 2.128 127 Y HA -0.261 4.305 4.550 0.027 0.000 0.284 127 Y C 2.623 178.748 175.900 0.375 0.000 1.154 127 Y CA 2.318 60.548 58.100 0.216 0.000 1.149 127 Y CB -0.254 38.333 38.460 0.210 0.000 0.976 127 Y HN 0.206 nan 8.280 nan 0.000 0.505 128 S N -1.853 114.116 115.700 0.448 0.000 2.446 128 S HA -0.099 4.387 4.470 0.027 0.000 0.225 128 S C 1.822 176.559 174.600 0.228 0.000 1.016 128 S CA 1.319 59.730 58.200 0.351 0.000 0.943 128 S CB -0.156 63.250 63.200 0.343 0.000 0.786 128 S HN 0.533 nan 8.310 nan 0.000 0.508 129 T N 1.128 115.796 114.554 0.191 0.000 3.022 129 T HA 0.281 4.647 4.350 0.027 0.000 0.250 129 T C 0.795 175.568 174.700 0.122 0.000 1.060 129 T CA 0.113 62.295 62.100 0.137 0.000 1.013 129 T CB -0.149 68.783 68.868 0.105 0.000 0.982 129 T HN 0.369 nan 8.240 nan 0.000 0.508 130 G N 2.360 111.241 108.800 0.136 0.000 2.406 130 G HA2 0.471 4.447 3.960 0.027 0.000 0.251 130 G HA3 0.471 4.447 3.960 0.027 0.000 0.251 130 G C -0.579 174.461 174.900 0.233 0.000 1.271 130 G CA -0.443 44.718 45.100 0.101 0.000 0.859 130 G HN 0.580 nan 8.290 nan 0.000 0.540 131 K N -0.150 120.342 120.400 0.154 0.000 2.350 131 K HA 0.742 5.078 4.320 0.027 0.000 0.241 131 K C -0.829 175.853 176.600 0.137 0.000 0.994 131 K CA -1.050 55.336 56.287 0.164 0.000 0.839 131 K CB 2.424 34.988 32.500 0.107 0.000 1.244 131 K HN 0.443 nan 8.250 nan 0.000 0.443 132 V N -1.897 118.097 119.914 0.133 0.000 2.540 132 V HA 0.643 4.779 4.120 0.027 0.000 0.302 132 V C -0.764 175.443 176.094 0.188 0.000 1.035 132 V CA -0.688 61.673 62.300 0.102 0.000 0.873 132 V CB 0.889 32.695 31.823 -0.028 0.000 0.992 132 V HN 0.948 nan 8.190 nan 0.000 0.428 133 c N 4.149 122.886 118.600 0.228 0.000 2.507 133 c HA 0.507 5.093 4.570 0.027 0.000 0.319 133 c C 0.499 174.801 174.090 0.353 0.000 1.208 133 c CA -0.709 55.773 56.329 0.254 0.000 1.619 133 c CB 1.036 43.632 42.510 0.144 0.000 2.230 133 c HN 1.042 nan 8.230 nan 0.000 0.492 134 N N 2.452 121.303 118.700 0.252 0.000 2.073 134 N HA -0.076 4.680 4.740 0.027 0.000 0.276 134 N C -1.420 174.134 175.510 0.072 0.000 1.253 134 N CA -0.108 52.966 53.050 0.040 0.000 0.815 134 N CB 0.884 39.315 38.487 -0.093 0.000 1.051 134 N HN 0.402 nan 8.380 nan 0.000 0.477 135 P HA -0.178 nan 4.420 nan 0.000 0.212 135 P C 0.720 178.032 177.300 0.019 0.000 1.178 135 P CA 1.678 64.819 63.100 0.068 0.000 0.915 135 P CB 0.015 31.711 31.700 -0.007 0.000 0.788 136 D N -2.536 117.842 120.400 -0.036 0.000 2.317 136 D HA -0.081 4.574 4.640 0.027 0.000 0.211 136 D C 0.531 176.822 176.300 -0.015 0.000 0.966 136 D CA 0.650 54.635 54.000 -0.025 0.000 0.876 136 D CB -0.601 40.172 40.800 -0.044 0.000 0.927 136 D HN 0.206 nan 8.370 nan 0.000 0.519 137 N N 1.059 119.749 118.700 -0.017 0.000 2.569 137 N HA 0.148 4.904 4.740 0.027 0.000 0.254 137 N C -2.623 172.903 175.510 0.026 0.000 1.004 137 N CA -1.612 51.437 53.050 -0.003 0.000 0.904 137 N CB 2.154 40.629 38.487 -0.020 0.000 1.165 137 N HN -0.230 nan 8.380 nan 0.000 0.513 138 P HA 0.208 nan 4.420 nan 0.000 0.243 138 P C -0.236 177.088 177.300 0.040 0.000 1.668 138 P CA 0.484 63.610 63.100 0.043 0.000 0.898 138 P CB 0.276 31.997 31.700 0.034 0.000 1.637 139 Q N -1.386 118.438 119.800 0.039 0.000 2.427 139 Q HA 0.086 4.442 4.340 0.027 0.000 0.249 139 Q C 0.551 176.577 176.000 0.043 0.000 0.783 139 Q CA -0.250 55.575 55.803 0.036 0.000 0.978 139 Q CB 0.246 28.998 28.738 0.023 0.000 1.273 139 Q HN 0.210 nan 8.270 nan 0.000 0.524 140 E N 1.714 121.941 120.200 0.044 0.000 1.795 140 E HA 0.122 4.488 4.350 0.027 0.000 0.261 140 E C -1.227 175.429 176.600 0.094 0.000 1.238 140 E CA -0.242 56.188 56.400 0.051 0.000 1.001 140 E CB 0.033 29.748 29.700 0.025 0.000 1.065 140 E HN 0.224 nan 8.360 nan 0.000 0.418 141 c N 4.890 123.542 118.600 0.087 0.000 2.382 141 c HA 0.608 5.194 4.570 0.027 0.000 0.327 141 c C -0.182 173.964 174.090 0.094 0.000 1.250 141 c CA -0.810 55.583 56.329 0.105 0.000 1.707 141 c CB 0.062 42.623 42.510 0.084 0.000 2.272 141 c HN 0.671 nan 8.230 nan 0.000 0.506 142 L N 3.083 124.370 121.223 0.108 0.000 2.422 142 L HA 0.582 4.938 4.340 0.027 0.000 0.264 142 L C -0.740 176.154 176.870 0.041 0.000 0.984 142 L CA -0.488 54.392 54.840 0.067 0.000 0.819 142 L CB 1.562 43.663 42.059 0.069 0.000 1.330 142 L HN 0.447 nan 8.230 nan 0.000 0.410 143 L N 1.057 122.282 121.223 0.004 0.000 2.569 143 L HA 0.322 4.678 4.340 0.027 0.000 0.247 143 L C 0.994 177.735 176.870 -0.215 0.000 1.135 143 L CA -0.120 54.699 54.840 -0.035 0.000 0.812 143 L CB 0.381 42.445 42.059 0.008 0.000 1.431 143 L HN 0.481 nan 8.230 nan 0.000 0.499 144 L N 0.137 121.085 121.223 -0.458 0.000 1.990 144 L HA -0.137 4.219 4.340 0.027 0.000 0.213 144 L C 0.687 177.364 176.870 -0.323 0.000 1.072 144 L CA 1.795 56.221 54.840 -0.691 0.000 0.755 144 L CB -0.108 41.400 42.059 -0.920 0.000 0.889 144 L HN 0.684 nan 8.230 nan 0.000 0.432 145 E N -0.945 119.153 120.200 -0.169 0.000 2.176 145 E HA 0.338 4.704 4.350 0.027 0.000 0.267 145 E C -2.088 174.485 176.600 -0.045 0.000 0.893 145 E CA -1.968 54.383 56.400 -0.082 0.000 0.761 145 E CB 1.259 30.937 29.700 -0.036 0.000 1.133 145 E HN 0.119 nan 8.360 nan 0.000 0.409 146 P HA 0.381 nan 4.420 nan 0.000 0.310 146 P C 0.824 178.091 177.300 -0.054 0.000 1.384 146 P CA 0.737 63.812 63.100 -0.041 0.000 0.858 146 P CB -0.335 31.354 31.700 -0.018 0.000 2.156 147 G N -0.091 108.693 108.800 -0.027 0.000 4.674 147 G HA2 -0.395 3.581 3.960 0.027 0.000 0.322 147 G HA3 -0.395 3.581 3.960 0.027 0.000 0.322 147 G C 1.220 176.100 174.900 -0.032 0.000 1.649 147 G CA 1.178 46.270 45.100 -0.013 0.000 1.604 147 G HN 0.426 nan 8.290 nan 0.000 0.855 148 L N 1.090 122.260 121.223 -0.088 0.000 2.017 148 L HA 0.102 4.458 4.340 0.027 0.000 0.208 148 L C 2.370 179.138 176.870 -0.170 0.000 1.073 148 L CA 2.571 57.320 54.840 -0.152 0.000 0.745 148 L CB -0.735 41.146 42.059 -0.298 0.000 0.894 148 L HN 0.533 nan 8.230 nan 0.000 0.432 149 N N -1.313 117.283 118.700 -0.174 0.000 2.521 149 N HA -0.122 4.633 4.740 0.027 0.000 0.188 149 N C 1.633 177.112 175.510 -0.052 0.000 1.146 149 N CA 0.094 53.068 53.050 -0.127 0.000 0.893 149 N CB 0.166 38.596 38.487 -0.095 0.000 0.975 149 N HN 0.281 nan 8.380 nan 0.000 0.451 150 E N 0.149 120.326 120.200 -0.038 0.000 2.251 150 E HA 0.055 4.421 4.350 0.027 0.000 0.194 150 E C 1.385 177.989 176.600 0.007 0.000 0.964 150 E CA 0.309 56.706 56.400 -0.006 0.000 0.868 150 E CB 0.272 29.973 29.700 0.001 0.000 0.828 150 E HN 0.217 nan 8.360 nan 0.000 0.481 151 I N 1.185 121.757 120.570 0.003 0.000 2.439 151 I HA -0.156 4.030 4.170 0.027 0.000 0.251 151 I C 2.133 178.262 176.117 0.021 0.000 1.139 151 I CA 0.761 62.078 61.300 0.029 0.000 1.438 151 I CB -0.125 37.912 38.000 0.062 0.000 1.085 151 I HN 0.092 nan 8.210 nan 0.000 0.427 152 M N -0.575 119.015 119.600 -0.017 0.000 2.288 152 M HA 0.059 4.555 4.480 0.027 0.000 0.266 152 M C 2.207 178.513 176.300 0.010 0.000 1.072 152 M CA 1.231 56.520 55.300 -0.020 0.000 1.132 152 M CB -1.370 31.179 32.600 -0.086 0.000 1.386 152 M HN 0.258 nan 8.290 nan 0.000 0.432 153 A N -0.420 122.410 122.820 0.017 0.000 2.218 153 A HA 0.028 4.364 4.320 0.027 0.000 0.209 153 A C 1.460 179.074 177.584 0.049 0.000 1.168 153 A CA 1.102 53.166 52.037 0.044 0.000 0.804 153 A CB -0.463 18.564 19.000 0.044 0.000 0.834 153 A HN 0.618 nan 8.150 nan 0.000 0.482 154 N N -2.128 116.598 118.700 0.044 0.000 2.113 154 N HA 0.064 4.820 4.740 0.027 0.000 0.236 154 N C 0.385 175.927 175.510 0.054 0.000 1.263 154 N CA 0.385 53.463 53.050 0.047 0.000 0.831 154 N CB 0.431 38.942 38.487 0.039 0.000 1.259 154 N HN 0.165 nan 8.380 nan 0.000 0.469 155 S N 0.519 116.255 115.700 0.059 0.000 2.563 155 S HA 0.087 4.573 4.470 0.027 0.000 0.284 155 S C 0.445 175.111 174.600 0.111 0.000 1.331 155 S CA 0.064 58.310 58.200 0.075 0.000 1.047 155 S CB 0.372 63.618 63.200 0.076 0.000 0.859 155 S HN 0.145 nan 8.310 nan 0.000 0.514 156 L N 3.227 124.525 121.223 0.125 0.000 3.016 156 L HA 0.451 4.807 4.340 0.027 0.000 0.267 156 L C 0.101 177.137 176.870 0.276 0.000 1.182 156 L CA 0.243 55.198 54.840 0.192 0.000 0.997 156 L CB -0.087 42.010 42.059 0.062 0.000 1.354 156 L HN 0.750 nan 8.230 nan 0.000 0.569 157 D N -2.034 118.477 120.400 0.185 0.000 2.317 157 D HA 0.027 4.682 4.640 0.027 0.000 0.234 157 D C 1.236 177.611 176.300 0.125 0.000 1.112 157 D CA -0.271 53.832 54.000 0.171 0.000 0.840 157 D CB 0.781 41.653 40.800 0.120 0.000 1.078 157 D HN 0.145 nan 8.370 nan 0.000 0.486 158 Y N 4.326 124.601 120.300 -0.042 0.000 2.102 158 Y HA -0.339 4.227 4.550 0.027 0.000 0.280 158 Y C 1.546 177.397 175.900 -0.082 0.000 1.178 158 Y CA 1.831 59.781 58.100 -0.249 0.000 1.146 158 Y CB -0.046 38.003 38.460 -0.686 0.000 0.968 158 Y HN 0.501 nan 8.280 nan 0.000 0.504 159 N N 0.291 119.114 118.700 0.204 0.000 2.084 159 N HA -0.196 4.560 4.740 0.027 0.000 0.190 159 N C 1.878 177.467 175.510 0.132 0.000 1.030 159 N CA 1.623 54.773 53.050 0.166 0.000 0.849 159 N CB -0.609 37.969 38.487 0.151 0.000 1.012 159 N HN 0.576 nan 8.380 nan 0.000 0.423 160 E N 1.079 121.353 120.200 0.123 0.000 2.031 160 E HA -0.121 4.244 4.350 0.027 0.000 0.193 160 E C 1.936 178.669 176.600 0.222 0.000 0.994 160 E CA 0.915 57.421 56.400 0.176 0.000 0.800 160 E CB 0.121 29.893 29.700 0.121 0.000 0.752 160 E HN 0.262 nan 8.360 nan 0.000 0.447 161 R N 0.092 120.654 120.500 0.103 0.000 2.091 161 R HA -0.180 4.176 4.340 0.027 0.000 0.238 161 R C 2.544 178.901 176.300 0.094 0.000 1.136 161 R CA 1.244 57.389 56.100 0.075 0.000 0.959 161 R CB -0.505 29.765 30.300 -0.049 0.000 0.856 161 R HN 0.220 nan 8.270 nan 0.000 0.437 162 L N 0.364 121.562 121.223 -0.043 0.000 1.971 162 L HA -0.206 4.150 4.340 0.027 0.000 0.215 162 L C 2.074 178.967 176.870 0.038 0.000 1.072 162 L CA 1.863 56.539 54.840 -0.274 0.000 0.758 162 L CB -1.012 40.825 42.059 -0.369 0.000 0.889 162 L HN 0.267 nan 8.230 nan 0.000 0.433 163 W N 0.493 121.778 121.300 -0.024 0.000 2.317 163 W HA -0.280 4.396 4.660 0.027 0.000 0.318 163 W C 2.373 178.941 176.519 0.082 0.000 1.227 163 W CA 3.016 60.383 57.345 0.036 0.000 1.269 163 W CB -0.785 28.693 29.460 0.030 0.000 1.155 163 W HN 0.326 nan 8.180 nan 0.000 0.484 164 A N 0.005 122.823 122.820 -0.002 0.000 1.859 164 A HA -0.282 4.054 4.320 0.027 0.000 0.217 164 A C 1.847 179.330 177.584 -0.168 0.000 1.198 164 A CA 1.961 53.836 52.037 -0.269 0.000 0.629 164 A CB -1.935 17.066 19.000 0.002 0.000 0.830 164 A HN 0.679 nan 8.150 nan 0.000 0.446 165 W N 0.727 121.921 121.300 -0.176 0.000 2.318 165 W HA -0.269 4.406 4.660 0.026 0.000 0.313 165 W C 2.216 178.691 176.519 -0.073 0.000 1.221 165 W CA 2.544 59.822 57.345 -0.112 0.000 1.266 165 W CB -0.082 29.340 29.460 -0.064 0.000 1.150 165 W HN 0.472 nan 8.180 nan 0.000 0.496 166 E N 0.216 120.592 120.200 0.294 0.000 2.051 166 E HA -0.177 4.188 4.350 0.027 0.000 0.192 166 E C 2.109 178.682 176.600 -0.045 0.000 0.991 166 E CA 2.508 59.021 56.400 0.188 0.000 0.799 166 E CB -0.793 29.019 29.700 0.187 0.000 0.748 166 E HN 0.184 nan 8.360 nan 0.000 0.449 167 S N 0.398 115.942 115.700 -0.260 0.000 2.359 167 S HA -0.186 4.300 4.470 0.027 0.000 0.222 167 S C 1.612 176.105 174.600 -0.177 0.000 1.038 167 S CA 1.259 59.250 58.200 -0.348 0.000 1.051 167 S CB -0.982 61.710 63.200 -0.847 0.000 0.944 167 S HN 0.572 nan 8.310 nan 0.000 0.433 168 W N 2.424 123.507 121.300 -0.362 0.000 2.350 168 W HA -0.099 4.577 4.660 0.026 0.000 0.289 168 W C 1.951 178.324 176.519 -0.243 0.000 1.215 168 W CA 1.147 58.314 57.345 -0.298 0.000 1.236 168 W CB -0.172 29.085 29.460 -0.339 0.000 1.130 168 W HN 0.266 nan 8.180 nan 0.000 0.541 169 R N -0.517 119.839 120.500 -0.239 0.000 2.275 169 R HA -0.057 4.299 4.340 0.027 0.000 0.199 169 R C 2.467 178.698 176.300 -0.115 0.000 0.989 169 R CA 1.138 57.081 56.100 -0.261 0.000 1.016 169 R CB -0.131 29.977 30.300 -0.319 0.000 0.918 169 R HN -0.062 nan 8.270 nan 0.000 0.473 170 S N -0.100 115.538 115.700 -0.103 0.000 2.475 170 S HA 0.042 4.528 4.470 0.027 0.000 0.224 170 S C 1.458 175.897 174.600 -0.268 0.000 1.042 170 S CA 0.216 58.315 58.200 -0.169 0.000 0.935 170 S CB 0.320 63.512 63.200 -0.014 0.000 0.801 170 S HN 0.164 nan 8.310 nan 0.000 0.509 171 E N 1.064 121.108 120.200 -0.260 0.000 2.042 171 E HA -0.030 4.336 4.350 0.027 0.000 0.189 171 E C 2.301 178.698 176.600 -0.338 0.000 0.974 171 E CA 1.627 57.873 56.400 -0.256 0.000 0.806 171 E CB -0.499 29.079 29.700 -0.202 0.000 0.769 171 E HN 0.566 nan 8.360 nan 0.000 0.451 172 V N -1.549 118.046 119.914 -0.532 0.000 2.878 172 V HA 0.221 4.357 4.120 0.027 0.000 0.250 172 V C 2.099 177.946 176.094 -0.411 0.000 1.075 172 V CA 1.494 63.460 62.300 -0.557 0.000 1.096 172 V CB -0.530 30.715 31.823 -0.964 0.000 0.724 172 V HN 0.152 nan 8.190 nan 0.000 0.467 173 G N 0.530 109.086 108.800 -0.408 0.000 2.404 173 G HA2 -0.170 3.806 3.960 0.027 0.000 0.215 173 G HA3 -0.170 3.806 3.960 0.027 0.000 0.215 173 G C 1.609 176.357 174.900 -0.253 0.000 1.174 173 G CA 0.874 45.800 45.100 -0.291 0.000 0.780 173 G HN 0.515 nan 8.290 nan 0.000 0.537 174 K N -0.018 120.189 120.400 -0.320 0.000 2.147 174 K HA -0.081 4.255 4.320 0.027 0.000 0.205 174 K C 2.634 179.112 176.600 -0.203 0.000 1.049 174 K CA 1.106 57.208 56.287 -0.308 0.000 0.936 174 K CB -0.107 32.168 32.500 -0.374 0.000 0.722 174 K HN 0.356 nan 8.250 nan 0.000 0.446 175 Q N 0.322 120.008 119.800 -0.192 0.000 2.123 175 Q HA -0.033 4.323 4.340 0.027 0.000 0.199 175 Q C 1.916 177.859 176.000 -0.095 0.000 0.966 175 Q CA 0.884 56.605 55.803 -0.136 0.000 0.845 175 Q CB 0.144 28.797 28.738 -0.143 0.000 0.907 175 Q HN 0.279 nan 8.270 nan 0.000 0.439 176 L N -0.063 121.099 121.223 -0.102 0.000 2.492 176 L HA -0.043 4.313 4.340 0.027 0.000 0.223 176 L C 2.249 179.128 176.870 0.016 0.000 1.132 176 L CA 0.111 54.926 54.840 -0.041 0.000 0.850 176 L CB -0.044 41.980 42.059 -0.059 0.000 0.966 176 L HN 0.050 nan 8.230 nan 0.000 0.454 177 R N 1.331 121.820 120.500 -0.019 0.000 2.080 177 R HA -0.128 4.228 4.340 0.027 0.000 0.236 177 R C -0.679 175.649 176.300 0.046 0.000 1.137 177 R CA 1.853 57.967 56.100 0.024 0.000 0.943 177 R CB -1.547 28.734 30.300 -0.032 0.000 0.846 177 R HN 0.155 nan 8.270 nan 0.000 0.431 178 P HA -0.036 nan 4.420 nan 0.000 0.223 178 P C 0.827 178.148 177.300 0.034 0.000 1.151 178 P CA 1.069 64.167 63.100 -0.003 0.000 0.787 178 P CB 0.018 31.703 31.700 -0.026 0.000 0.788 179 L N -2.841 118.419 121.223 0.062 0.000 2.068 179 L HA -0.103 4.253 4.340 0.027 0.000 0.204 179 L C 2.491 179.452 176.870 0.151 0.000 1.076 179 L CA 1.286 56.173 54.840 0.080 0.000 0.753 179 L CB -1.039 41.055 42.059 0.058 0.000 0.910 179 L HN -0.104 nan 8.230 nan 0.000 0.439 180 Y N 0.833 121.189 120.300 0.092 0.000 2.242 180 Y HA -0.188 4.378 4.550 0.026 0.000 0.291 180 Y C 2.681 178.753 175.900 0.287 0.000 1.137 180 Y CA 1.276 59.498 58.100 0.203 0.000 1.181 180 Y CB 0.114 38.710 38.460 0.226 0.000 0.989 180 Y HN 0.122 nan 8.280 nan 0.000 0.527 181 E N 0.129 120.504 120.200 0.292 0.000 2.219 181 E HA -0.284 4.082 4.350 0.027 0.000 0.198 181 E C 1.785 178.413 176.600 0.047 0.000 0.998 181 E CA 1.647 58.088 56.400 0.068 0.000 0.818 181 E CB -0.003 29.658 29.700 -0.065 0.000 0.741 181 E HN 0.662 nan 8.360 nan 0.000 0.477 182 E N -0.954 119.281 120.200 0.058 0.000 2.251 182 E HA -0.082 4.284 4.350 0.027 0.000 0.194 182 E C 1.868 178.460 176.600 -0.015 0.000 0.964 182 E CA -0.141 56.264 56.400 0.007 0.000 0.868 182 E CB -0.061 29.635 29.700 -0.007 0.000 0.828 182 E HN 0.174 nan 8.360 nan 0.000 0.481 183 Y N 1.563 121.780 120.300 -0.138 0.000 2.069 183 Y HA -0.340 4.226 4.550 0.026 0.000 0.278 183 Y C 2.153 177.887 175.900 -0.278 0.000 1.175 183 Y CA 2.480 60.420 58.100 -0.268 0.000 1.134 183 Y CB -0.550 37.639 38.460 -0.451 0.000 0.965 183 Y HN 0.053 nan 8.280 nan 0.000 0.498 184 V N -2.395 117.507 119.914 -0.020 0.000 2.332 184 V HA -0.276 3.860 4.120 0.027 0.000 0.248 184 V C 2.128 178.167 176.094 -0.091 0.000 1.055 184 V CA 1.916 64.241 62.300 0.042 0.000 1.038 184 V CB -1.735 30.301 31.823 0.356 0.000 0.651 184 V HN 0.329 nan 8.190 nan 0.000 0.450 185 V N 0.648 120.521 119.914 -0.068 0.000 2.261 185 V HA -0.225 3.911 4.120 0.027 0.000 0.246 185 V C 2.614 178.608 176.094 -0.166 0.000 1.047 185 V CA 2.624 64.873 62.300 -0.085 0.000 1.015 185 V CB -0.637 31.151 31.823 -0.059 0.000 0.642 185 V HN 0.503 nan 8.190 nan 0.000 0.446 186 L N -0.835 120.251 121.223 -0.230 0.000 2.179 186 L HA -0.076 4.280 4.340 0.027 0.000 0.208 186 L C 2.450 179.089 176.870 -0.385 0.000 1.096 186 L CA 1.161 55.846 54.840 -0.259 0.000 0.779 186 L CB -0.467 41.452 42.059 -0.234 0.000 0.922 186 L HN 0.221 nan 8.230 nan 0.000 0.443 187 K N 0.108 120.140 120.400 -0.612 0.000 2.228 187 K HA -0.042 4.294 4.320 0.027 0.000 0.202 187 K C 1.958 178.140 176.600 -0.695 0.000 1.051 187 K CA 0.675 56.419 56.287 -0.905 0.000 0.960 187 K CB 0.081 31.602 32.500 -1.632 0.000 0.743 187 K HN 0.149 nan 8.250 nan 0.000 0.458 188 N N 0.611 119.035 118.700 -0.459 0.000 2.216 188 N HA -0.147 4.609 4.740 0.027 0.000 0.183 188 N C 1.462 176.884 175.510 -0.147 0.000 1.017 188 N CA 0.910 53.815 53.050 -0.242 0.000 0.861 188 N CB 0.058 38.479 38.487 -0.109 0.000 0.986 188 N HN 0.341 nan 8.380 nan 0.000 0.428 189 E N 0.343 120.452 120.200 -0.151 0.000 2.153 189 E HA -0.145 4.221 4.350 0.027 0.000 0.194 189 E C 1.894 178.444 176.600 -0.083 0.000 0.988 189 E CA 0.615 56.958 56.400 -0.095 0.000 0.811 189 E CB 0.059 29.702 29.700 -0.095 0.000 0.746 189 E HN 0.188 nan 8.360 nan 0.000 0.466 190 M N 0.439 119.952 119.600 -0.144 0.000 2.099 190 M HA -0.117 4.379 4.480 0.027 0.000 0.262 190 M C 2.236 178.524 176.300 -0.021 0.000 1.067 190 M CA 1.708 56.940 55.300 -0.113 0.000 1.124 190 M CB -0.472 31.996 32.600 -0.220 0.000 1.353 190 M HN 0.155 nan 8.290 nan 0.000 0.410 191 A N 0.704 123.491 122.820 -0.055 0.000 1.883 191 A HA -0.191 4.145 4.320 0.027 0.000 0.217 191 A C 2.160 179.884 177.584 0.234 0.000 1.186 191 A CA 1.739 53.854 52.037 0.130 0.000 0.624 191 A CB -0.738 18.293 19.000 0.051 0.000 0.822 191 A HN 0.609 nan 8.150 nan 0.000 0.444 192 R N -0.723 119.845 120.500 0.114 0.000 2.189 192 R HA 0.001 4.356 4.340 0.027 0.000 0.223 192 R C 2.225 178.591 176.300 0.110 0.000 1.092 192 R CA 0.863 57.026 56.100 0.105 0.000 0.989 192 R CB -0.319 30.007 30.300 0.043 0.000 0.876 192 R HN 0.530 nan 8.270 nan 0.000 0.457 193 A N 1.042 123.928 122.820 0.110 0.000 2.067 193 A HA -0.045 4.291 4.320 0.027 0.000 0.217 193 A C 1.201 178.907 177.584 0.204 0.000 1.156 193 A CA 0.849 52.957 52.037 0.119 0.000 0.683 193 A CB 0.035 19.076 19.000 0.067 0.000 0.808 193 A HN 0.178 nan 8.150 nan 0.000 0.455 194 N N 0.078 118.935 118.700 0.263 0.000 2.327 194 N HA 0.088 4.844 4.740 0.027 0.000 0.231 194 N C -0.769 174.852 175.510 0.185 0.000 1.130 194 N CA 0.010 53.221 53.050 0.268 0.000 0.845 194 N CB -0.438 38.311 38.487 0.437 0.000 1.073 194 N HN 0.618 nan 8.380 nan 0.000 0.496 195 H N -1.269 117.784 119.070 -0.029 0.000 2.839 195 H HA -0.220 4.351 4.556 0.026 0.000 0.298 195 H C -0.829 174.336 175.328 -0.271 0.000 1.224 195 H CA 0.493 56.450 56.048 -0.151 0.000 1.144 195 H CB -1.629 28.007 29.762 -0.211 0.000 1.372 195 H HN 0.298 nan 8.280 nan 0.000 0.408 196 Y N -0.252 120.125 120.300 0.129 0.000 2.621 196 Y HA 0.194 4.759 4.550 0.025 0.000 0.334 196 Y C 1.654 177.586 175.900 0.053 0.000 1.074 196 Y CA -0.806 57.345 58.100 0.086 0.000 1.149 196 Y CB 0.937 39.470 38.460 0.123 0.000 1.302 196 Y HN 0.009 nan 8.280 nan 0.000 0.501 197 E N 0.419 120.764 120.200 0.242 0.000 2.005 197 E HA -0.060 4.306 4.350 0.027 0.000 0.191 197 E C -0.507 176.161 176.600 0.114 0.000 0.987 197 E CA 1.354 57.830 56.400 0.127 0.000 0.814 197 E CB 0.127 29.879 29.700 0.088 0.000 0.772 197 E HN 0.688 nan 8.360 nan 0.000 0.453 198 D N -2.038 118.426 120.400 0.108 0.000 2.732 198 D HA -0.019 4.637 4.640 0.027 0.000 0.292 198 D C 0.436 176.749 176.300 0.021 0.000 1.135 198 D CA -0.650 53.398 54.000 0.080 0.000 1.071 198 D CB 0.236 41.109 40.800 0.122 0.000 1.457 198 D HN -0.085 nan 8.370 nan 0.000 0.547 199 Y N 0.768 120.878 120.300 -0.316 0.000 2.274 199 Y HA 0.001 4.568 4.550 0.028 0.000 0.290 199 Y C 2.371 177.991 175.900 -0.468 0.000 1.145 199 Y CA 2.265 59.963 58.100 -0.670 0.000 1.203 199 Y CB -0.647 36.926 38.460 -1.477 0.000 0.984 199 Y HN 0.611 nan 8.280 nan 0.000 0.533 200 G N -0.345 108.429 108.800 -0.044 0.000 2.491 200 G HA2 -0.389 3.587 3.960 0.027 0.000 0.218 200 G HA3 -0.389 3.587 3.960 0.027 0.000 0.218 200 G C 1.449 176.274 174.900 -0.124 0.000 1.180 200 G CA 1.346 46.523 45.100 0.129 0.000 0.774 200 G HN 0.433 nan 8.290 nan 0.000 0.562 201 D N -1.088 119.252 120.400 -0.099 0.000 2.144 201 D HA -0.136 4.520 4.640 0.027 0.000 0.199 201 D C 1.998 178.182 176.300 -0.194 0.000 0.984 201 D CA 0.685 54.637 54.000 -0.081 0.000 0.834 201 D CB -0.297 40.542 40.800 0.064 0.000 0.955 201 D HN 0.415 nan 8.370 nan 0.000 0.465 202 Y N -0.774 119.208 120.300 -0.531 0.000 2.165 202 Y HA -0.224 4.342 4.550 0.027 0.000 0.286 202 Y C 1.832 177.488 175.900 -0.407 0.000 1.155 202 Y CA 1.647 59.210 58.100 -0.894 0.000 1.164 202 Y CB -0.161 37.851 38.460 -0.747 0.000 0.978 202 Y HN 0.043 nan 8.280 nan 0.000 0.513 203 W N 0.899 122.061 121.300 -0.230 0.000 2.379 203 W HA -0.083 4.592 4.660 0.025 0.000 0.307 203 W C 2.400 178.930 176.519 0.019 0.000 1.200 203 W CA 1.477 58.773 57.345 -0.082 0.000 1.297 203 W CB -0.883 28.589 29.460 0.020 0.000 1.140 203 W HN 0.031 nan 8.180 nan 0.000 0.507 204 R N -0.339 120.310 120.500 0.249 0.000 2.293 204 R HA -0.057 4.299 4.340 0.027 0.000 0.219 204 R C 2.141 178.586 176.300 0.241 0.000 1.091 204 R CA 0.988 57.234 56.100 0.244 0.000 1.004 204 R CB -0.971 29.328 30.300 -0.003 0.000 0.865 204 R HN 0.152 nan 8.270 nan 0.000 0.469 205 G N 0.665 109.517 108.800 0.087 0.000 2.708 205 G HA2 -0.224 3.752 3.960 0.027 0.000 0.210 205 G HA3 -0.224 3.752 3.960 0.027 0.000 0.210 205 G C 0.869 175.806 174.900 0.062 0.000 1.141 205 G CA 0.219 45.365 45.100 0.077 0.000 0.788 205 G HN 0.223 nan 8.290 nan 0.000 0.531 206 D N 0.087 120.510 120.400 0.038 0.000 2.137 206 D HA -0.060 4.596 4.640 0.027 0.000 0.202 206 D C 1.382 177.591 176.300 -0.151 0.000 0.970 206 D CA 0.555 54.467 54.000 -0.147 0.000 0.837 206 D CB 0.103 40.681 40.800 -0.369 0.000 0.981 206 D HN 0.425 nan 8.370 nan 0.000 0.475 207 Y N 1.086 121.436 120.300 0.084 0.000 2.529 207 Y HA 0.158 4.724 4.550 0.027 0.000 0.290 207 Y C 0.898 177.121 175.900 0.539 0.000 1.177 207 Y CA -0.041 58.172 58.100 0.188 0.000 1.305 207 Y CB -0.218 38.269 38.460 0.045 0.000 1.047 207 Y HN -0.073 nan 8.280 nan 0.000 0.522 208 E N 2.019 122.499 120.200 0.466 0.000 2.290 208 E HA 0.317 4.683 4.350 0.027 0.000 0.277 208 E C -0.820 175.946 176.600 0.277 0.000 1.035 208 E CA -0.389 56.242 56.400 0.386 0.000 0.873 208 E CB 0.766 30.618 29.700 0.252 0.000 1.029 208 E HN 0.093 nan 8.360 nan 0.000 0.419 209 V N 2.053 122.112 119.914 0.240 0.000 2.680 209 V HA 0.603 4.739 4.120 0.027 0.000 0.309 209 V C -0.630 175.512 176.094 0.080 0.000 1.052 209 V CA -0.956 61.409 62.300 0.110 0.000 0.908 209 V CB 1.911 33.742 31.823 0.014 0.000 1.001 209 V HN 0.656 nan 8.190 nan 0.000 0.431 210 N N 2.214 120.940 118.700 0.043 0.000 2.346 210 N HA 0.561 5.317 4.740 0.027 0.000 0.289 210 N C 0.530 176.048 175.510 0.013 0.000 1.027 210 N CA 0.146 53.212 53.050 0.028 0.000 0.864 210 N CB 1.913 40.411 38.487 0.019 0.000 1.370 210 N HN 1.588 nan 8.380 nan 0.000 0.481 211 G N 0.995 109.804 108.800 0.015 0.000 2.182 211 G HA2 -0.221 3.755 3.960 0.027 0.000 0.248 211 G HA3 -0.221 3.755 3.960 0.027 0.000 0.248 211 G C 0.384 175.292 174.900 0.012 0.000 1.042 211 G CA 0.346 45.451 45.100 0.010 0.000 0.775 211 G HN 0.442 nan 8.290 nan 0.000 0.501 212 V N -1.287 118.643 119.914 0.028 0.000 3.556 212 V HA 0.291 4.427 4.120 0.027 0.000 0.287 212 V C 0.666 176.819 176.094 0.098 0.000 1.422 212 V CA 0.348 62.673 62.300 0.042 0.000 1.038 212 V CB -0.096 31.740 31.823 0.021 0.000 0.850 212 V HN 0.531 nan 8.190 nan 0.000 0.437 213 D N 0.894 121.339 120.400 0.075 0.000 6.013 213 D HA 0.116 4.772 4.640 0.027 0.000 0.242 213 D C 1.225 177.565 176.300 0.067 0.000 1.609 213 D CA 1.368 55.405 54.000 0.061 0.000 1.473 213 D CB -1.030 39.800 40.800 0.051 0.000 0.711 213 D HN 0.694 nan 8.370 nan 0.000 0.388 214 G N 1.438 110.234 108.800 -0.006 0.000 2.562 214 G HA2 -0.457 3.519 3.960 0.027 0.000 0.241 214 G HA3 -0.457 3.519 3.960 0.027 0.000 0.241 214 G C 0.738 175.523 174.900 -0.193 0.000 1.120 214 G CA 0.576 45.610 45.100 -0.109 0.000 0.673 214 G HN 0.604 nan 8.290 nan 0.000 0.519 215 Y N 2.698 122.973 120.300 -0.043 0.000 2.547 215 Y HA 0.427 5.004 4.550 0.045 0.000 0.325 215 Y C 1.002 176.848 175.900 -0.090 0.000 1.165 215 Y CA -0.038 58.010 58.100 -0.086 0.000 1.300 215 Y CB 0.045 38.448 38.460 -0.094 0.000 1.126 215 Y HN 0.184 nan 8.280 nan 0.000 0.513 216 D N -0.734 119.699 120.400 0.053 0.000 2.340 216 D HA 0.269 4.925 4.640 0.027 0.000 0.251 216 D C -1.281 175.086 176.300 0.112 0.000 1.080 216 D CA -0.081 53.953 54.000 0.057 0.000 0.971 216 D CB 0.983 41.804 40.800 0.035 0.000 1.137 216 D HN 0.061 nan 8.370 nan 0.000 0.475 217 Y N -0.025 120.274 120.300 -0.002 0.000 2.390 217 Y HA 0.290 4.852 4.550 0.020 0.000 0.324 217 Y C -0.982 174.987 175.900 0.115 0.000 1.151 217 Y CA -0.646 57.495 58.100 0.068 0.000 1.053 217 Y CB 1.572 40.103 38.460 0.118 0.000 1.277 217 Y HN 0.268 nan 8.280 nan 0.000 0.432 218 S N 4.650 120.246 115.700 -0.173 0.000 2.509 218 S HA 0.439 4.925 4.470 0.027 0.000 0.297 218 S C 0.813 175.417 174.600 0.006 0.000 1.118 218 S CA -0.661 57.514 58.200 -0.041 0.000 1.074 218 S CB 1.227 64.374 63.200 -0.088 0.000 1.038 218 S HN 0.897 nan 8.310 nan 0.000 0.498 219 R N 2.633 123.196 120.500 0.104 0.000 2.226 219 R HA -0.116 4.240 4.340 0.027 0.000 0.246 219 R C 2.094 178.396 176.300 0.002 0.000 1.161 219 R CA 1.598 57.762 56.100 0.106 0.000 0.997 219 R CB -0.733 29.625 30.300 0.097 0.000 0.870 219 R HN 0.800 nan 8.270 nan 0.000 0.465 220 G N 0.599 109.376 108.800 -0.039 0.000 2.404 220 G HA2 -0.260 3.715 3.960 0.027 0.000 0.214 220 G HA3 -0.260 3.715 3.960 0.027 0.000 0.214 220 G C 1.169 176.021 174.900 -0.079 0.000 1.189 220 G CA 0.112 45.172 45.100 -0.067 0.000 0.789 220 G HN 0.251 nan 8.290 nan 0.000 0.533 221 Q N -0.528 119.170 119.800 -0.170 0.000 2.268 221 Q HA -0.132 4.224 4.340 0.027 0.000 0.210 221 Q C 2.343 178.331 176.000 -0.021 0.000 0.988 221 Q CA 1.077 56.736 55.803 -0.240 0.000 0.883 221 Q CB -0.237 28.107 28.738 -0.656 0.000 0.911 221 Q HN 0.462 nan 8.270 nan 0.000 0.430 222 L N -0.098 121.198 121.223 0.122 0.000 2.027 222 L HA -0.140 4.216 4.340 0.027 0.000 0.206 222 L C 1.814 178.740 176.870 0.093 0.000 1.074 222 L CA 1.580 56.556 54.840 0.228 0.000 0.745 222 L CB -0.172 41.976 42.059 0.147 0.000 0.898 222 L HN 0.212 nan 8.230 nan 0.000 0.433 223 I N -0.517 120.060 120.570 0.011 0.000 2.226 223 I HA -0.281 3.905 4.170 0.027 0.000 0.245 223 I C 2.518 178.684 176.117 0.082 0.000 1.100 223 I CA 1.529 62.859 61.300 0.050 0.000 1.374 223 I CB -0.495 37.491 38.000 -0.024 0.000 1.057 223 I HN 0.423 nan 8.210 nan 0.000 0.413 224 E N 0.977 121.209 120.200 0.053 0.000 2.097 224 E HA -0.285 4.081 4.350 0.027 0.000 0.196 224 E C 1.526 178.198 176.600 0.120 0.000 1.000 224 E CA 1.717 58.153 56.400 0.060 0.000 0.804 224 E CB 0.083 29.791 29.700 0.013 0.000 0.740 224 E HN 0.435 nan 8.360 nan 0.000 0.454 225 D N -0.489 120.004 120.400 0.155 0.000 2.183 225 D HA -0.067 4.589 4.640 0.027 0.000 0.205 225 D C 2.065 178.461 176.300 0.160 0.000 0.962 225 D CA 0.472 54.606 54.000 0.224 0.000 0.849 225 D CB 0.085 41.065 40.800 0.300 0.000 0.978 225 D HN 0.072 nan 8.370 nan 0.000 0.488 226 V N 1.164 121.116 119.914 0.064 0.000 2.255 226 V HA -0.254 3.882 4.120 0.027 0.000 0.247 226 V C 2.315 178.317 176.094 -0.152 0.000 1.051 226 V CA 1.788 64.009 62.300 -0.132 0.000 1.018 226 V CB -0.374 31.312 31.823 -0.228 0.000 0.641 226 V HN 0.100 nan 8.190 nan 0.000 0.445 227 E N -0.884 119.273 120.200 -0.072 0.000 2.031 227 E HA -0.232 4.134 4.350 0.027 0.000 0.193 227 E C 2.195 178.873 176.600 0.129 0.000 0.994 227 E CA 1.544 57.932 56.400 -0.021 0.000 0.800 227 E CB -0.381 29.361 29.700 0.071 0.000 0.752 227 E HN 0.744 nan 8.360 nan 0.000 0.447 228 H N -0.677 118.421 119.070 0.047 0.000 2.289 228 H HA -0.186 4.379 4.556 0.015 0.000 0.294 228 H C 2.078 177.442 175.328 0.060 0.000 1.095 228 H CA 1.760 57.841 56.048 0.055 0.000 1.256 228 H CB 0.124 29.922 29.762 0.061 0.000 1.359 228 H HN 0.154 nan 8.280 nan 0.000 0.487 229 T N -0.059 114.494 114.554 -0.002 0.000 2.857 229 T HA -0.129 4.237 4.350 0.027 0.000 0.266 229 T C 1.617 176.341 174.700 0.041 0.000 1.048 229 T CA 0.911 62.970 62.100 -0.068 0.000 1.139 229 T CB -0.468 68.436 68.868 0.060 0.000 0.874 229 T HN 0.298 nan 8.240 nan 0.000 0.455 230 F N 2.616 122.538 119.950 -0.047 0.000 2.069 230 F HA -0.113 4.428 4.527 0.024 0.000 0.298 230 F C 2.283 178.038 175.800 -0.074 0.000 1.113 230 F CA 1.569 59.523 58.000 -0.076 0.000 1.214 230 F CB -0.492 38.295 39.000 -0.355 0.000 0.978 230 F HN 0.075 nan 8.300 nan 0.000 0.474 231 E N 0.824 120.933 120.200 -0.152 0.000 2.095 231 E HA -0.300 4.066 4.350 0.027 0.000 0.212 231 E C 2.041 178.490 176.600 -0.252 0.000 1.044 231 E CA 2.249 58.528 56.400 -0.202 0.000 0.857 231 E CB -0.842 28.842 29.700 -0.027 0.000 0.764 231 E HN 0.641 nan 8.360 nan 0.000 0.462 232 E N -0.137 119.949 120.200 -0.190 0.000 2.331 232 E HA -0.160 4.206 4.350 0.027 0.000 0.199 232 E C 2.035 178.488 176.600 -0.246 0.000 1.008 232 E CA 0.424 56.714 56.400 -0.183 0.000 0.843 232 E CB -0.178 29.427 29.700 -0.158 0.000 0.761 232 E HN 0.189 nan 8.360 nan 0.000 0.507 233 I N 0.999 121.383 120.570 -0.310 0.000 3.059 233 I HA -0.137 4.049 4.170 0.027 0.000 0.270 233 I C 1.951 177.874 176.117 -0.324 0.000 1.238 233 I CA 0.641 61.744 61.300 -0.329 0.000 1.478 233 I CB 0.144 37.970 38.000 -0.290 0.000 1.097 233 I HN -0.076 nan 8.210 nan 0.000 0.455 234 K N 0.801 120.966 120.400 -0.391 0.000 2.009 234 K HA -0.166 4.170 4.320 0.027 0.000 0.210 234 K C -0.371 176.188 176.600 -0.067 0.000 1.049 234 K CA 1.897 58.041 56.287 -0.238 0.000 0.929 234 K CB -1.512 30.839 32.500 -0.247 0.000 0.714 234 K HN 0.277 nan 8.250 nan 0.000 0.440 235 P HA -0.181 nan 4.420 nan 0.000 0.215 235 P C 1.472 178.830 177.300 0.096 0.000 1.157 235 P CA 0.914 64.043 63.100 0.047 0.000 0.868 235 P CB -0.002 31.748 31.700 0.083 0.000 0.788 236 L N -1.230 119.823 121.223 -0.283 0.000 1.970 236 L HA -0.220 4.136 4.340 0.027 0.000 0.212 236 L C 2.421 179.358 176.870 0.110 0.000 1.071 236 L CA 1.945 56.621 54.840 -0.274 0.000 0.751 236 L CB -1.786 39.985 42.059 -0.479 0.000 0.889 236 L HN -0.088 nan 8.230 nan 0.000 0.432 237 Y N 0.762 121.032 120.300 -0.050 0.000 2.151 237 Y HA -0.312 4.254 4.550 0.026 0.000 0.284 237 Y C 2.575 178.619 175.900 0.241 0.000 1.166 237 Y CA 2.292 60.428 58.100 0.061 0.000 1.163 237 Y CB -0.525 37.958 38.460 0.038 0.000 0.974 237 Y HN 0.458 nan 8.280 nan 0.000 0.511 238 E N -1.282 118.992 120.200 0.125 0.000 2.097 238 E HA -0.271 4.095 4.350 0.027 0.000 0.196 238 E C 2.106 178.723 176.600 0.029 0.000 1.000 238 E CA 1.436 57.862 56.400 0.042 0.000 0.804 238 E CB -0.239 29.413 29.700 -0.080 0.000 0.740 238 E HN 0.643 nan 8.360 nan 0.000 0.454 239 H N -0.106 119.074 119.070 0.184 0.000 2.428 239 H HA -0.041 4.530 4.556 0.026 0.000 0.296 239 H C 2.340 177.810 175.328 0.236 0.000 1.062 239 H CA 0.650 56.817 56.048 0.198 0.000 1.350 239 H CB -0.019 29.882 29.762 0.231 0.000 1.403 239 H HN 0.211 nan 8.280 nan 0.000 0.533 240 L N 0.348 121.778 121.223 0.345 0.000 2.012 240 L HA -0.238 4.117 4.340 0.027 0.000 0.210 240 L C 2.812 179.913 176.870 0.386 0.000 1.073 240 L CA 1.410 56.468 54.840 0.365 0.000 0.748 240 L CB -0.362 41.894 42.059 0.329 0.000 0.891 240 L HN 0.359 nan 8.230 nan 0.000 0.431 241 H N -0.105 119.039 119.070 0.123 0.000 2.270 241 H HA -0.188 4.384 4.556 0.027 0.000 0.299 241 H C 2.057 177.457 175.328 0.119 0.000 1.077 241 H CA 1.803 57.907 56.048 0.093 0.000 1.294 241 H CB 0.027 29.720 29.762 -0.115 0.000 1.371 241 H HN 0.448 nan 8.280 nan 0.000 0.491 242 A N 0.414 123.417 122.820 0.305 0.000 1.927 242 A HA -0.274 4.062 4.320 0.027 0.000 0.220 242 A C 2.443 180.115 177.584 0.146 0.000 1.185 242 A CA 1.971 54.126 52.037 0.197 0.000 0.639 242 A CB -1.350 17.710 19.000 0.099 0.000 0.820 242 A HN 0.686 nan 8.150 nan 0.000 0.451 243 Y N 0.434 120.783 120.300 0.082 0.000 2.130 243 Y HA -0.096 4.470 4.550 0.027 0.000 0.287 243 Y C 2.580 178.491 175.900 0.019 0.000 1.124 243 Y CA 2.240 60.378 58.100 0.063 0.000 1.118 243 Y CB -0.497 38.045 38.460 0.138 0.000 0.994 243 Y HN 0.216 nan 8.280 nan 0.000 0.497 244 V N 0.882 120.827 119.914 0.051 0.000 2.392 244 V HA -0.264 3.872 4.120 0.027 0.000 0.249 244 V C 2.391 178.326 176.094 -0.265 0.000 1.059 244 V CA 2.366 64.574 62.300 -0.154 0.000 1.051 244 V CB -1.016 30.746 31.823 -0.101 0.000 0.658 244 V HN 0.492 nan 8.190 nan 0.000 0.455 245 R N 1.205 121.547 120.500 -0.262 0.000 2.094 245 R HA -0.153 4.203 4.340 0.027 0.000 0.239 245 R C 2.340 178.533 176.300 -0.179 0.000 1.137 245 R CA 2.520 58.475 56.100 -0.242 0.000 0.943 245 R CB -1.103 29.087 30.300 -0.182 0.000 0.850 245 R HN 0.589 nan 8.270 nan 0.000 0.433 246 A N 1.016 123.735 122.820 -0.169 0.000 1.883 246 A HA -0.170 4.166 4.320 0.027 0.000 0.217 246 A C 2.057 179.504 177.584 -0.228 0.000 1.186 246 A CA 1.743 53.677 52.037 -0.173 0.000 0.624 246 A CB -0.505 18.399 19.000 -0.160 0.000 0.822 246 A HN 0.274 nan 8.150 nan 0.000 0.444 247 K N -0.434 119.758 120.400 -0.346 0.000 2.147 247 K HA 0.000 4.336 4.320 0.027 0.000 0.205 247 K C 1.902 178.365 176.600 -0.229 0.000 1.049 247 K CA 1.000 57.089 56.287 -0.330 0.000 0.936 247 K CB -0.546 31.684 32.500 -0.449 0.000 0.722 247 K HN 0.561 nan 8.250 nan 0.000 0.446 248 L N 0.090 121.195 121.223 -0.197 0.000 2.072 248 L HA -0.089 4.267 4.340 0.027 0.000 0.205 248 L C 2.569 179.413 176.870 -0.043 0.000 1.079 248 L CA 0.775 55.546 54.840 -0.115 0.000 0.752 248 L CB -0.297 41.717 42.059 -0.077 0.000 0.906 248 L HN 0.141 nan 8.230 nan 0.000 0.436 249 M N -0.297 119.270 119.600 -0.054 0.000 2.110 249 M HA -0.293 4.203 4.480 0.027 0.000 0.257 249 M C 2.089 178.370 176.300 -0.031 0.000 1.071 249 M CA 1.865 57.153 55.300 -0.020 0.000 1.096 249 M CB -0.673 31.888 32.600 -0.065 0.000 1.300 249 M HN 0.306 nan 8.290 nan 0.000 0.411 250 N N 0.479 119.128 118.700 -0.085 0.000 2.091 250 N HA -0.177 4.579 4.740 0.027 0.000 0.193 250 N C 1.598 177.037 175.510 -0.118 0.000 1.021 250 N CA 1.997 54.989 53.050 -0.097 0.000 0.862 250 N CB -0.461 37.954 38.487 -0.120 0.000 1.018 250 N HN 0.433 nan 8.380 nan 0.000 0.429 251 A N -0.442 122.264 122.820 -0.191 0.000 1.930 251 A HA -0.032 4.304 4.320 0.027 0.000 0.215 251 A C 0.194 177.525 177.584 -0.421 0.000 1.176 251 A CA 0.807 52.626 52.037 -0.363 0.000 0.632 251 A CB -0.204 18.472 19.000 -0.540 0.000 0.819 251 A HN 0.279 nan 8.150 nan 0.000 0.445 252 Y N 0.109 120.443 120.300 0.058 0.000 2.836 252 Y HA 0.367 4.933 4.550 0.026 0.000 0.359 252 Y C -2.697 173.353 175.900 0.250 0.000 1.060 252 Y CA -3.595 54.629 58.100 0.206 0.000 1.161 252 Y CB -0.023 38.559 38.460 0.202 0.000 1.225 252 Y HN 0.139 nan 8.280 nan 0.000 0.621 253 P HA 0.006 nan 4.420 nan 0.000 0.269 253 P C 0.822 178.051 177.300 -0.118 0.000 1.209 253 P CA 1.069 64.189 63.100 0.034 0.000 0.776 253 P CB 1.056 32.747 31.700 -0.016 0.000 0.876 254 S N -0.062 115.553 115.700 -0.141 0.000 2.981 254 S HA -0.322 4.164 4.470 0.027 0.000 0.274 254 S C 0.923 175.375 174.600 -0.247 0.000 1.297 254 S CA 1.486 59.542 58.200 -0.239 0.000 1.266 254 S CB -2.983 60.005 63.200 -0.354 0.000 1.542 254 S HN 0.487 nan 8.310 nan 0.000 0.674 255 Y N 0.902 121.214 120.300 0.021 0.000 2.503 255 Y HA 0.561 5.127 4.550 0.026 0.000 0.278 255 Y C 1.224 177.235 175.900 0.186 0.000 1.111 255 Y CA 0.135 58.271 58.100 0.060 0.000 1.270 255 Y CB 0.445 38.932 38.460 0.046 0.000 1.063 255 Y HN 0.426 nan 8.280 nan 0.000 0.548 256 I N -0.376 120.298 120.570 0.172 0.000 2.410 256 I HA 0.167 4.353 4.170 0.027 0.000 0.286 256 I C -0.043 175.855 176.117 -0.366 0.000 1.009 256 I CA -0.690 60.567 61.300 -0.071 0.000 1.111 256 I CB 1.690 39.665 38.000 -0.041 0.000 1.262 256 I HN -0.198 nan 8.210 nan 0.000 0.443 257 S N 6.945 122.055 115.700 -0.984 0.000 2.562 257 S HA 0.242 4.728 4.470 0.027 0.000 0.281 257 S C -1.617 172.662 174.600 -0.535 0.000 1.333 257 S CA -0.906 56.746 58.200 -0.913 0.000 1.052 257 S CB 0.748 62.920 63.200 -1.713 0.000 0.884 257 S HN 0.410 nan 8.310 nan 0.000 0.506 258 P HA 0.094 nan 4.420 nan 0.000 0.245 258 P C 0.734 177.991 177.300 -0.072 0.000 1.212 258 P CA 0.255 63.266 63.100 -0.148 0.000 0.774 258 P CB -0.086 31.547 31.700 -0.113 0.000 0.999 259 I N -4.765 115.683 120.570 -0.204 0.000 4.557 259 I HA 0.373 4.558 4.170 0.027 0.000 0.333 259 I C 0.366 176.493 176.117 0.017 0.000 1.332 259 I CA -0.002 61.201 61.300 -0.160 0.000 1.240 259 I CB -0.021 37.609 38.000 -0.617 0.000 1.312 259 I HN -0.276 nan 8.210 nan 0.000 0.457 260 G N 1.181 109.873 108.800 -0.180 0.000 2.547 260 G HA2 0.445 4.421 3.960 0.027 0.000 0.291 260 G HA3 0.445 4.421 3.960 0.027 0.000 0.291 260 G C -0.101 174.894 174.900 0.159 0.000 1.211 260 G CA -0.167 44.908 45.100 -0.042 0.000 0.950 260 G HN 0.364 nan 8.290 nan 0.000 0.504 261 C N -1.386 118.117 119.300 0.339 0.000 2.769 261 C HA 0.424 4.900 4.460 0.027 0.000 0.296 261 C C 0.569 175.688 174.990 0.214 0.000 1.538 261 C CA -0.408 58.762 59.018 0.254 0.000 2.178 261 C CB -0.350 27.507 27.740 0.194 0.000 2.077 261 C HN 0.455 nan 8.230 nan 0.000 0.648 262 L N 1.917 123.226 121.223 0.142 0.000 2.280 262 L HA 0.319 4.675 4.340 0.027 0.000 0.287 262 L C -2.348 174.558 176.870 0.060 0.000 1.023 262 L CA -1.487 53.373 54.840 0.034 0.000 0.819 262 L CB 0.796 42.768 42.059 -0.144 0.000 1.212 262 L HN 0.354 nan 8.230 nan 0.000 0.420 263 P HA -0.100 nan 4.420 nan 0.000 0.258 263 P C 0.449 177.656 177.300 -0.155 0.000 1.172 263 P CA 0.263 63.357 63.100 -0.010 0.000 0.762 263 P CB 0.856 32.584 31.700 0.047 0.000 0.764 264 A N 4.408 127.135 122.820 -0.154 0.000 2.131 264 A HA -0.208 4.128 4.320 0.027 0.000 0.220 264 A C 1.623 179.059 177.584 -0.247 0.000 1.158 264 A CA 1.395 53.411 52.037 -0.034 0.000 0.665 264 A CB -1.173 18.021 19.000 0.323 0.000 0.795 264 A HN 0.730 nan 8.150 nan 0.000 0.460 265 H N -1.447 117.141 119.070 -0.804 0.000 2.548 265 H HA 0.249 4.821 4.556 0.027 0.000 0.265 265 H C 1.092 176.181 175.328 -0.398 0.000 0.969 265 H CA 0.545 56.172 56.048 -0.702 0.000 1.155 265 H CB -0.396 28.827 29.762 -0.898 0.000 1.394 265 H HN 0.453 nan 8.280 nan 0.000 0.570 266 L N 0.863 121.635 121.223 -0.752 0.000 2.640 266 L HA 0.199 4.555 4.340 0.027 0.000 0.230 266 L C 1.551 178.235 176.870 -0.309 0.000 1.123 266 L CA -0.013 54.425 54.840 -0.670 0.000 0.900 266 L CB 0.282 41.853 42.059 -0.814 0.000 1.146 266 L HN 0.124 nan 8.230 nan 0.000 0.484 267 L N -0.459 120.630 121.223 -0.222 0.000 2.591 267 L HA 0.246 4.602 4.340 0.027 0.000 0.228 267 L C 1.527 178.376 176.870 -0.035 0.000 1.133 267 L CA 0.703 55.419 54.840 -0.207 0.000 0.880 267 L CB -0.099 41.889 42.059 -0.118 0.000 1.033 267 L HN 0.467 nan 8.230 nan 0.000 0.450 268 G N 0.303 109.113 108.800 0.017 0.000 2.792 268 G HA2 -0.261 3.715 3.960 0.027 0.000 0.201 268 G HA3 -0.261 3.715 3.960 0.027 0.000 0.201 268 G C -0.010 174.954 174.900 0.107 0.000 1.322 268 G CA 0.118 45.272 45.100 0.090 0.000 0.910 268 G HN 0.472 nan 8.290 nan 0.000 0.535 269 D N -0.200 120.289 120.400 0.148 0.000 2.589 269 D HA 0.684 5.340 4.640 0.027 0.000 0.268 269 D C 1.578 177.863 176.300 -0.026 0.000 1.182 269 D CA -0.133 53.930 54.000 0.106 0.000 1.087 269 D CB 0.001 40.957 40.800 0.261 0.000 1.186 269 D HN 0.210 nan 8.370 nan 0.000 0.620 270 M N -0.943 118.447 119.600 -0.351 0.000 2.175 270 M HA 0.089 4.585 4.480 0.027 0.000 0.264 270 M C 0.507 176.514 176.300 -0.489 0.000 1.063 270 M CA 1.461 56.276 55.300 -0.810 0.000 1.119 270 M CB -0.153 31.250 32.600 -1.994 0.000 1.377 270 M HN 0.564 nan 8.290 nan 0.000 0.415 271 W N -1.318 120.093 121.300 0.185 0.000 2.998 271 W HA 0.486 5.162 4.660 0.027 0.000 0.336 271 W C 1.211 177.897 176.519 0.279 0.000 1.112 271 W CA 0.350 57.864 57.345 0.282 0.000 1.682 271 W CB -0.368 29.246 29.460 0.258 0.000 1.065 271 W HN 0.451 nan 8.180 nan 0.000 0.570 272 G N 1.495 110.505 108.800 0.349 0.000 2.159 272 G HA2 -0.363 3.613 3.960 0.027 0.000 0.256 272 G HA3 -0.363 3.613 3.960 0.027 0.000 0.256 272 G C 1.331 176.222 174.900 -0.016 0.000 0.977 272 G CA 0.587 45.876 45.100 0.315 0.000 0.652 272 G HN 0.197 nan 8.290 nan 0.000 0.531 273 R N -0.393 119.817 120.500 -0.482 0.000 2.094 273 R HA -0.007 4.349 4.340 0.027 0.000 0.239 273 R C 0.500 176.332 176.300 -0.780 0.000 1.137 273 R CA 1.441 56.766 56.100 -1.291 0.000 0.943 273 R CB -0.226 29.502 30.300 -0.953 0.000 0.850 273 R HN 0.444 nan 8.270 nan 0.000 0.433 274 F N -1.605 118.303 119.950 -0.070 0.000 2.492 274 F HA 0.203 4.745 4.527 0.026 0.000 0.327 274 F C 0.082 176.057 175.800 0.291 0.000 1.079 274 F CA -1.239 56.778 58.000 0.028 0.000 0.967 274 F CB 1.118 40.143 39.000 0.042 0.000 1.169 274 F HN -0.027 nan 8.300 nan 0.000 0.472 275 W N 1.484 122.940 121.300 0.260 0.000 3.391 275 W HA 0.140 4.817 4.660 0.029 0.000 0.372 275 W C 1.691 178.321 176.519 0.186 0.000 1.171 275 W CA -0.450 57.013 57.345 0.197 0.000 1.862 275 W CB -1.440 28.135 29.460 0.191 0.000 1.048 275 W HN 0.475 nan 8.180 nan 0.000 0.726 276 T N 0.846 115.628 114.554 0.381 0.000 2.746 276 T HA -0.193 4.173 4.350 0.027 0.000 0.267 276 T C 1.450 176.278 174.700 0.212 0.000 1.039 276 T CA 1.925 64.162 62.100 0.228 0.000 1.142 276 T CB 0.041 68.955 68.868 0.076 0.000 0.866 276 T HN 0.256 nan 8.240 nan 0.000 0.444 277 N N 0.662 119.481 118.700 0.197 0.000 2.573 277 N HA 0.015 4.771 4.740 0.027 0.000 0.187 277 N C 0.948 176.556 175.510 0.163 0.000 1.107 277 N CA 0.109 53.255 53.050 0.159 0.000 0.918 277 N CB -0.081 38.480 38.487 0.124 0.000 0.966 277 N HN 0.192 nan 8.380 nan 0.000 0.448 278 L N 0.094 121.429 121.223 0.186 0.000 2.622 278 L HA -0.033 4.323 4.340 0.027 0.000 0.233 278 L C 1.426 178.397 176.870 0.168 0.000 1.156 278 L CA 0.778 55.700 54.840 0.137 0.000 0.866 278 L CB -1.173 40.951 42.059 0.107 0.000 0.980 278 L HN 0.260 nan 8.230 nan 0.000 0.448 279 Y N 0.154 120.512 120.300 0.097 0.000 2.133 279 Y HA -0.270 4.296 4.550 0.026 0.000 0.287 279 Y C 2.606 178.547 175.900 0.069 0.000 1.134 279 Y CA 1.738 59.897 58.100 0.097 0.000 1.133 279 Y CB -0.206 38.308 38.460 0.090 0.000 0.987 279 Y HN 0.183 nan 8.280 nan 0.000 0.502 280 S N 0.506 116.233 115.700 0.044 0.000 2.392 280 S HA -0.227 4.259 4.470 0.027 0.000 0.232 280 S C 1.610 176.134 174.600 -0.128 0.000 1.041 280 S CA 1.989 60.162 58.200 -0.045 0.000 1.026 280 S CB -0.680 62.535 63.200 0.025 0.000 0.845 280 S HN 0.561 nan 8.310 nan 0.000 0.465 281 L N -0.084 121.070 121.223 -0.115 0.000 2.590 281 L HA 0.375 4.731 4.340 0.027 0.000 0.227 281 L C 1.640 178.417 176.870 -0.155 0.000 1.099 281 L CA 0.670 55.425 54.840 -0.140 0.000 0.872 281 L CB -1.200 40.764 42.059 -0.158 0.000 1.088 281 L HN 0.253 nan 8.230 nan 0.000 0.479 282 T N -3.631 110.840 114.554 -0.138 0.000 3.054 282 T HA 0.232 4.598 4.350 0.027 0.000 0.255 282 T C 0.607 175.298 174.700 -0.015 0.000 1.035 282 T CA 0.169 62.230 62.100 -0.065 0.000 0.941 282 T CB -0.300 68.619 68.868 0.085 0.000 1.026 282 T HN 0.071 nan 8.240 nan 0.000 0.533 283 V N 4.037 123.769 119.914 -0.303 0.000 2.539 283 V HA 0.117 4.252 4.120 0.027 0.000 0.300 283 V C -1.071 174.975 176.094 -0.080 0.000 1.019 283 V CA -1.044 61.025 62.300 -0.385 0.000 1.160 283 V CB 1.102 32.569 31.823 -0.593 0.000 0.901 283 V HN 0.180 nan 8.190 nan 0.000 0.481 284 P HA -0.047 nan 4.420 nan 0.000 0.214 284 P C -0.026 176.995 177.300 -0.465 0.000 1.163 284 P CA 1.518 64.530 63.100 -0.147 0.000 0.883 284 P CB 0.098 31.546 31.700 -0.421 0.000 0.788 285 F N -1.520 118.448 119.950 0.029 0.000 2.449 285 F HA 0.420 4.962 4.527 0.026 0.000 0.344 285 F C 1.461 177.276 175.800 0.025 0.000 1.180 285 F CA -0.762 57.259 58.000 0.036 0.000 1.209 285 F CB 0.200 39.208 39.000 0.014 0.000 1.440 285 F HN -0.167 nan 8.300 nan 0.000 0.526 286 G N 0.124 108.979 108.800 0.092 0.000 2.916 286 G HA2 -0.128 3.848 3.960 0.027 0.000 0.205 286 G HA3 -0.128 3.848 3.960 0.027 0.000 0.205 286 G C 1.171 176.117 174.900 0.077 0.000 1.163 286 G CA 0.451 45.580 45.100 0.049 0.000 0.821 286 G HN 0.348 nan 8.290 nan 0.000 0.515 287 Q N -0.449 119.424 119.800 0.122 0.000 2.217 287 Q HA 0.241 4.597 4.340 0.027 0.000 0.217 287 Q C 0.758 176.814 176.000 0.094 0.000 0.844 287 Q CA 0.160 56.022 55.803 0.098 0.000 0.957 287 Q CB 0.466 29.267 28.738 0.104 0.000 1.127 287 Q HN 0.333 nan 8.270 nan 0.000 0.503 288 K N 0.826 121.296 120.400 0.115 0.000 2.185 288 K HA 0.457 4.793 4.320 0.027 0.000 0.240 288 K C -2.359 174.310 176.600 0.116 0.000 0.983 288 K CA -2.007 54.341 56.287 0.103 0.000 0.873 288 K CB 0.744 33.304 32.500 0.100 0.000 1.118 288 K HN -0.084 nan 8.250 nan 0.000 0.441 289 P HA -0.079 nan 4.420 nan 0.000 0.259 289 P C -0.475 176.893 177.300 0.113 0.000 1.211 289 P CA -0.036 63.133 63.100 0.115 0.000 0.810 289 P CB -0.092 31.706 31.700 0.163 0.000 0.815 290 N N 3.986 122.742 118.700 0.093 0.000 2.034 290 N HA -0.135 4.621 4.740 0.027 0.000 0.293 290 N C 1.209 176.749 175.510 0.051 0.000 1.336 290 N CA 0.186 53.300 53.050 0.106 0.000 0.819 290 N CB 0.229 38.764 38.487 0.080 0.000 1.071 290 N HN 0.243 nan 8.380 nan 0.000 0.495 291 I N 1.756 122.376 120.570 0.083 0.000 3.001 291 I HA -0.138 4.048 4.170 0.027 0.000 0.268 291 I C 0.550 176.638 176.117 -0.050 0.000 1.267 291 I CA 0.546 61.855 61.300 0.015 0.000 1.472 291 I CB -1.268 36.794 38.000 0.103 0.000 1.089 291 I HN 0.569 nan 8.210 nan 0.000 0.468 292 D N 0.842 121.217 120.400 -0.042 0.000 2.338 292 D HA 0.049 4.705 4.640 0.027 0.000 0.255 292 D C 1.273 177.510 176.300 -0.106 0.000 1.237 292 D CA 0.002 53.956 54.000 -0.077 0.000 0.883 292 D CB 0.928 41.698 40.800 -0.050 0.000 1.087 292 D HN 0.055 nan 8.370 nan 0.000 0.485 293 V N 1.284 121.093 119.914 -0.175 0.000 3.633 293 V HA 0.049 4.185 4.120 0.027 0.000 0.283 293 V C 1.576 177.519 176.094 -0.252 0.000 1.305 293 V CA 0.393 62.543 62.300 -0.250 0.000 1.153 293 V CB -0.655 30.945 31.823 -0.372 0.000 0.950 293 V HN 0.540 nan 8.190 nan 0.000 0.432 294 T N 1.161 115.613 114.554 -0.170 0.000 2.714 294 T HA -0.241 4.125 4.350 0.027 0.000 0.268 294 T C 1.474 176.097 174.700 -0.128 0.000 1.036 294 T CA 2.450 64.472 62.100 -0.130 0.000 1.148 294 T CB -0.409 68.421 68.868 -0.063 0.000 0.856 294 T HN 0.642 nan 8.240 nan 0.000 0.462 295 D N 1.130 121.461 120.400 -0.115 0.000 2.123 295 D HA 0.037 4.693 4.640 0.027 0.000 0.200 295 D C 2.473 178.687 176.300 -0.143 0.000 0.976 295 D CA 1.205 55.146 54.000 -0.098 0.000 0.831 295 D CB -0.468 40.291 40.800 -0.068 0.000 0.974 295 D HN 0.442 nan 8.370 nan 0.000 0.469 296 A N 0.968 123.664 122.820 -0.206 0.000 1.933 296 A HA -0.163 4.173 4.320 0.027 0.000 0.218 296 A C 2.283 179.647 177.584 -0.367 0.000 1.175 296 A CA 1.260 53.139 52.037 -0.264 0.000 0.628 296 A CB -0.540 18.268 19.000 -0.319 0.000 0.814 296 A HN 0.140 nan 8.150 nan 0.000 0.444 297 M N -0.703 118.629 119.600 -0.447 0.000 2.086 297 M HA -0.138 4.358 4.480 0.027 0.000 0.261 297 M C 2.121 178.296 176.300 -0.208 0.000 1.067 297 M CA 1.540 56.508 55.300 -0.553 0.000 1.116 297 M CB -0.525 31.814 32.600 -0.435 0.000 1.348 297 M HN 0.274 nan 8.290 nan 0.000 0.407 298 V N 0.369 120.216 119.914 -0.113 0.000 2.261 298 V HA -0.277 3.859 4.120 0.027 0.000 0.246 298 V C 1.730 177.818 176.094 -0.009 0.000 1.047 298 V CA 1.943 64.230 62.300 -0.022 0.000 1.015 298 V CB -0.882 30.929 31.823 -0.019 0.000 0.642 298 V HN 0.399 nan 8.190 nan 0.000 0.446 299 D N -0.233 120.139 120.400 -0.046 0.000 2.265 299 D HA -0.165 4.490 4.640 0.027 0.000 0.208 299 D C 2.021 178.323 176.300 0.003 0.000 0.977 299 D CA 1.115 55.099 54.000 -0.026 0.000 0.871 299 D CB -0.166 40.604 40.800 -0.051 0.000 0.925 299 D HN 0.548 nan 8.370 nan 0.000 0.485 300 Q N -0.640 119.162 119.800 0.004 0.000 2.204 300 Q HA 0.391 4.747 4.340 0.027 0.000 0.209 300 Q C 0.305 176.461 176.000 0.261 0.000 0.861 300 Q CA 0.026 55.899 55.803 0.115 0.000 0.971 300 Q CB 0.696 29.487 28.738 0.087 0.000 1.095 300 Q HN 0.156 nan 8.270 nan 0.000 0.486 301 A N 0.179 123.106 122.820 0.178 0.000 2.704 301 A HA -0.187 4.149 4.320 0.027 0.000 0.299 301 A C -0.770 176.979 177.584 0.274 0.000 1.507 301 A CA 0.406 52.551 52.037 0.179 0.000 0.776 301 A CB -1.960 17.109 19.000 0.116 0.000 1.027 301 A HN 0.496 nan 8.150 nan 0.000 0.475 302 W N 1.431 122.744 121.300 0.022 0.000 2.356 302 W HA 0.468 5.143 4.660 0.026 0.000 0.311 302 W C 0.586 177.144 176.519 0.065 0.000 1.328 302 W CA 0.211 57.581 57.345 0.041 0.000 1.251 302 W CB 0.476 29.953 29.460 0.029 0.000 1.280 302 W HN 0.623 nan 8.180 nan 0.000 0.524 303 D N 1.403 121.918 120.400 0.191 0.000 2.437 303 D HA 0.421 5.077 4.640 0.027 0.000 0.259 303 D C 1.093 177.519 176.300 0.210 0.000 1.118 303 D CA -0.307 53.797 54.000 0.173 0.000 1.017 303 D CB 0.702 41.569 40.800 0.111 0.000 1.120 303 D HN 0.314 nan 8.370 nan 0.000 0.541 304 A N 0.007 122.969 122.820 0.236 0.000 1.892 304 A HA -0.269 4.066 4.320 0.027 0.000 0.218 304 A C 2.048 179.891 177.584 0.431 0.000 1.188 304 A CA 1.743 53.994 52.037 0.357 0.000 0.631 304 A CB -0.858 18.337 19.000 0.325 0.000 0.822 304 A HN 0.583 nan 8.150 nan 0.000 0.447 305 Q N -0.724 119.246 119.800 0.283 0.000 2.142 305 Q HA -0.294 4.062 4.340 0.027 0.000 0.213 305 Q C 2.227 178.337 176.000 0.182 0.000 1.004 305 Q CA 2.423 58.369 55.803 0.237 0.000 0.883 305 Q CB -0.433 28.352 28.738 0.080 0.000 0.939 305 Q HN 0.671 nan 8.270 nan 0.000 0.413 306 R N 0.493 121.020 120.500 0.045 0.000 2.070 306 R HA -0.057 4.299 4.340 0.027 0.000 0.233 306 R C 2.345 178.616 176.300 -0.050 0.000 1.137 306 R CA 1.367 57.361 56.100 -0.175 0.000 0.945 306 R CB -0.701 29.280 30.300 -0.532 0.000 0.845 306 R HN 0.295 nan 8.270 nan 0.000 0.430 307 I N -0.102 120.567 120.570 0.164 0.000 2.113 307 I HA -0.344 3.842 4.170 0.027 0.000 0.242 307 I C 2.009 178.195 176.117 0.114 0.000 1.064 307 I CA 1.782 63.252 61.300 0.282 0.000 1.320 307 I CB -0.461 37.706 38.000 0.278 0.000 1.028 307 I HN 0.119 nan 8.210 nan 0.000 0.406 308 F N 0.964 121.077 119.950 0.273 0.000 2.051 308 F HA -0.229 4.314 4.527 0.027 0.000 0.296 308 F C 2.620 178.660 175.800 0.399 0.000 1.122 308 F CA 1.661 59.866 58.000 0.342 0.000 1.201 308 F CB -0.611 38.680 39.000 0.485 0.000 0.978 308 F HN -0.158 nan 8.300 nan 0.000 0.472 309 K N 0.400 121.135 120.400 0.559 0.000 2.059 309 K HA -0.252 4.084 4.320 0.027 0.000 0.212 309 K C 1.973 178.683 176.600 0.184 0.000 1.050 309 K CA 1.724 58.183 56.287 0.286 0.000 0.927 309 K CB -0.415 32.082 32.500 -0.006 0.000 0.714 309 K HN 0.054 nan 8.250 nan 0.000 0.447 310 E N -0.333 119.939 120.200 0.120 0.000 2.070 310 E HA -0.196 4.170 4.350 0.027 0.000 0.197 310 E C 1.729 178.423 176.600 0.157 0.000 1.004 310 E CA 1.750 58.241 56.400 0.152 0.000 0.805 310 E CB -0.348 29.494 29.700 0.237 0.000 0.744 310 E HN 0.371 nan 8.360 nan 0.000 0.451 311 A N 0.518 123.315 122.820 -0.038 0.000 1.873 311 A HA -0.238 4.098 4.320 0.027 0.000 0.215 311 A C 2.188 179.825 177.584 0.088 0.000 1.186 311 A CA 1.783 53.571 52.037 -0.415 0.000 0.616 311 A CB -0.740 17.782 19.000 -0.795 0.000 0.823 311 A HN 0.422 nan 8.150 nan 0.000 0.442 312 E N 0.175 120.510 120.200 0.226 0.000 2.086 312 E HA -0.292 4.074 4.350 0.027 0.000 0.200 312 E C 1.938 178.693 176.600 0.259 0.000 1.012 312 E CA 1.841 58.419 56.400 0.297 0.000 0.812 312 E CB -0.166 29.753 29.700 0.366 0.000 0.743 312 E HN 0.632 nan 8.360 nan 0.000 0.453 313 K N -0.303 120.214 120.400 0.194 0.000 2.103 313 K HA -0.176 4.159 4.320 0.027 0.000 0.207 313 K C 2.071 178.749 176.600 0.130 0.000 1.048 313 K CA 1.373 57.744 56.287 0.139 0.000 0.930 313 K CB -0.401 32.170 32.500 0.119 0.000 0.716 313 K HN 0.187 nan 8.250 nan 0.000 0.444 314 F N 1.245 121.195 119.950 0.000 0.000 2.065 314 F HA -0.256 4.286 4.527 0.026 0.000 0.298 314 F C 1.702 177.387 175.800 -0.192 0.000 1.112 314 F CA 1.605 59.539 58.000 -0.109 0.000 1.212 314 F CB -0.436 38.402 39.000 -0.271 0.000 0.975 314 F HN -0.111 nan 8.300 nan 0.000 0.476 315 F N -0.205 119.690 119.950 -0.092 0.000 2.293 315 F HA -0.120 4.422 4.527 0.026 0.000 0.300 315 F C 2.277 177.949 175.800 -0.213 0.000 1.086 315 F CA 1.162 59.025 58.000 -0.227 0.000 1.375 315 F CB -1.109 37.843 39.000 -0.080 0.000 1.045 315 F HN -0.158 nan 8.300 nan 0.000 0.516 316 V N -0.502 119.434 119.914 0.037 0.000 2.488 316 V HA -0.226 3.910 4.120 0.027 0.000 0.246 316 V C 2.510 178.557 176.094 -0.078 0.000 1.046 316 V CA 1.644 63.935 62.300 -0.015 0.000 1.053 316 V CB -0.956 30.875 31.823 0.014 0.000 0.679 316 V HN 0.501 nan 8.190 nan 0.000 0.458 317 S N 1.597 117.231 115.700 -0.109 0.000 2.407 317 S HA -0.198 4.288 4.470 0.027 0.000 0.235 317 S C 1.836 176.328 174.600 -0.180 0.000 1.036 317 S CA 2.171 60.290 58.200 -0.134 0.000 1.013 317 S CB -0.641 62.470 63.200 -0.148 0.000 0.820 317 S HN 0.720 nan 8.310 nan 0.000 0.476 318 V N -3.078 116.682 119.914 -0.257 0.000 3.650 318 V HA 0.699 4.835 4.120 0.027 0.000 0.271 318 V C 1.524 177.527 176.094 -0.153 0.000 1.281 318 V CA 0.424 62.588 62.300 -0.227 0.000 1.120 318 V CB -0.601 31.031 31.823 -0.319 0.000 0.856 318 V HN 0.924 nan 8.190 nan 0.000 0.443 319 G N 0.407 109.128 108.800 -0.132 0.000 2.175 319 G HA2 -0.153 3.823 3.960 0.027 0.000 0.182 319 G HA3 -0.153 3.823 3.960 0.027 0.000 0.182 319 G C -0.185 174.621 174.900 -0.156 0.000 1.003 319 G CA -0.043 44.977 45.100 -0.132 0.000 0.666 319 G HN 0.510 nan 8.290 nan 0.000 0.506 320 L N 2.029 123.185 121.223 -0.112 0.000 2.439 320 L HA 0.512 4.868 4.340 0.027 0.000 0.261 320 L C -1.085 175.725 176.870 -0.100 0.000 1.153 320 L CA -2.138 52.629 54.840 -0.122 0.000 0.808 320 L CB 0.456 42.486 42.059 -0.049 0.000 1.126 320 L HN -0.024 nan 8.230 nan 0.000 0.460 321 P HA 0.080 nan 4.420 nan 0.000 0.275 321 P C -0.842 176.417 177.300 -0.068 0.000 1.266 321 P CA -0.539 62.505 63.100 -0.093 0.000 0.793 321 P CB 0.457 32.096 31.700 -0.101 0.000 1.074 322 N N -0.064 118.620 118.700 -0.028 0.000 2.260 322 N HA 0.076 4.832 4.740 0.027 0.000 0.230 322 N C 0.724 176.199 175.510 -0.059 0.000 1.323 322 N CA 0.123 53.182 53.050 0.014 0.000 0.897 322 N CB 0.017 38.553 38.487 0.082 0.000 1.146 322 N HN 0.384 nan 8.380 nan 0.000 0.460 323 M N 0.439 119.995 119.600 -0.073 0.000 2.226 323 M HA 0.040 4.536 4.480 0.027 0.000 0.324 323 M C 0.988 177.274 176.300 -0.023 0.000 1.112 323 M CA -0.118 55.005 55.300 -0.295 0.000 1.176 323 M CB -0.286 31.764 32.600 -0.916 0.000 1.430 323 M HN 0.559 nan 8.290 nan 0.000 0.462 324 T N -1.185 113.364 114.554 -0.009 0.000 2.900 324 T HA 0.056 4.422 4.350 0.027 0.000 0.307 324 T C 0.993 175.831 174.700 0.231 0.000 1.065 324 T CA -0.377 61.796 62.100 0.123 0.000 1.105 324 T CB 1.051 70.017 68.868 0.162 0.000 0.979 324 T HN 0.700 nan 8.240 nan 0.000 0.544 325 Q N 2.039 121.973 119.800 0.223 0.000 2.062 325 Q HA -0.169 4.187 4.340 0.027 0.000 0.209 325 Q C 2.484 178.614 176.000 0.216 0.000 0.996 325 Q CA 2.196 58.147 55.803 0.246 0.000 0.859 325 Q CB -1.127 27.700 28.738 0.149 0.000 0.920 325 Q HN 1.042 nan 8.270 nan 0.000 0.415 326 G N 0.130 109.018 108.800 0.147 0.000 2.503 326 G HA2 -0.325 3.651 3.960 0.027 0.000 0.221 326 G HA3 -0.325 3.651 3.960 0.027 0.000 0.221 326 G C 1.118 176.046 174.900 0.047 0.000 1.131 326 G CA 0.947 46.097 45.100 0.084 0.000 0.756 326 G HN 0.475 nan 8.290 nan 0.000 0.572 327 F N 0.246 120.148 119.950 -0.080 0.000 2.051 327 F HA -0.039 4.504 4.527 0.027 0.000 0.296 327 F C 2.404 178.046 175.800 -0.264 0.000 1.122 327 F CA 1.650 59.503 58.000 -0.246 0.000 1.201 327 F CB -0.377 38.364 39.000 -0.433 0.000 0.978 327 F HN 0.221 nan 8.300 nan 0.000 0.472 328 W N 0.624 122.078 121.300 0.258 0.000 2.465 328 W HA -0.069 4.607 4.660 0.027 0.000 0.268 328 W C 2.415 178.921 176.519 -0.022 0.000 1.242 328 W CA 1.033 58.450 57.345 0.120 0.000 1.248 328 W CB -0.330 29.230 29.460 0.166 0.000 1.118 328 W HN 0.192 nan 8.180 nan 0.000 0.587 329 E N -0.066 120.222 120.200 0.147 0.000 2.276 329 E HA -0.099 4.267 4.350 0.027 0.000 0.193 329 E C 1.478 178.063 176.600 -0.026 0.000 0.983 329 E CA 0.812 57.254 56.400 0.069 0.000 0.861 329 E CB 0.094 29.836 29.700 0.070 0.000 0.817 329 E HN 0.151 nan 8.360 nan 0.000 0.485 330 N N -0.197 118.428 118.700 -0.124 0.000 2.463 330 N HA 0.066 4.822 4.740 0.027 0.000 0.183 330 N C 0.120 175.503 175.510 -0.212 0.000 1.064 330 N CA 0.076 53.002 53.050 -0.205 0.000 0.879 330 N CB 0.429 38.701 38.487 -0.359 0.000 1.148 330 N HN -0.126 nan 8.380 nan 0.000 0.451 331 S N 0.937 116.420 115.700 -0.361 0.000 2.569 331 S HA 0.063 4.549 4.470 0.027 0.000 0.274 331 S C 0.349 174.868 174.600 -0.135 0.000 1.353 331 S CA 0.070 58.044 58.200 -0.377 0.000 1.023 331 S CB 0.570 63.192 63.200 -0.963 0.000 0.876 331 S HN 0.222 nan 8.310 nan 0.000 0.540 332 M N 4.007 123.559 119.600 -0.080 0.000 2.046 332 M HA 0.280 4.776 4.480 0.027 0.000 0.309 332 M C -0.920 175.268 176.300 -0.187 0.000 0.935 332 M CA -0.676 54.549 55.300 -0.126 0.000 0.915 332 M CB 0.437 32.934 32.600 -0.171 0.000 1.474 332 M HN 0.450 nan 8.290 nan 0.000 0.415 333 L N 3.131 124.241 121.223 -0.189 0.000 2.616 333 L HA 0.269 4.625 4.340 0.027 0.000 0.229 333 L C 0.612 177.478 176.870 -0.005 0.000 1.110 333 L CA 0.555 55.272 54.840 -0.205 0.000 0.884 333 L CB -0.971 40.885 42.059 -0.337 0.000 1.115 333 L HN 0.701 nan 8.230 nan 0.000 0.481 334 T N -3.298 111.248 114.554 -0.014 0.000 2.916 334 T HA 0.328 4.694 4.350 0.027 0.000 0.305 334 T C -0.636 174.052 174.700 -0.019 0.000 1.119 334 T CA -0.946 61.165 62.100 0.020 0.000 1.008 334 T CB 2.488 71.377 68.868 0.036 0.000 1.129 334 T HN -0.010 nan 8.240 nan 0.000 0.480 335 D N 2.190 122.584 120.400 -0.010 0.000 2.531 335 D HA 0.147 4.802 4.640 0.027 0.000 0.239 335 D C -1.281 174.999 176.300 -0.033 0.000 1.144 335 D CA -1.253 52.728 54.000 -0.031 0.000 0.869 335 D CB 0.741 41.531 40.800 -0.016 0.000 1.160 335 D HN 0.234 nan 8.370 nan 0.000 0.484 336 P HA 0.146 nan 4.420 nan 0.000 0.239 336 P C 0.608 177.888 177.300 -0.032 0.000 1.184 336 P CA 0.795 63.865 63.100 -0.050 0.000 0.760 336 P CB -0.111 31.544 31.700 -0.075 0.000 0.884 337 G N 0.326 109.111 108.800 -0.025 0.000 2.484 337 G HA2 -0.195 3.781 3.960 0.027 0.000 0.225 337 G HA3 -0.195 3.781 3.960 0.027 0.000 0.225 337 G C -0.357 174.532 174.900 -0.019 0.000 1.250 337 G CA -0.160 44.931 45.100 -0.015 0.000 0.926 337 G HN 0.431 nan 8.290 nan 0.000 0.581 338 N N 0.066 118.758 118.700 -0.013 0.000 2.495 338 N HA 0.483 5.239 4.740 0.027 0.000 0.294 338 N C 1.467 176.967 175.510 -0.017 0.000 1.276 338 N CA 0.624 53.666 53.050 -0.014 0.000 0.973 338 N CB 1.015 39.499 38.487 -0.006 0.000 1.143 338 N HN 1.690 nan 8.380 nan 0.000 0.589 339 V N -2.614 117.291 119.914 -0.014 0.000 0.595 339 V HA -0.305 3.831 4.120 0.027 0.000 0.063 339 V C 0.400 176.478 176.094 -0.026 0.000 2.679 339 V CA 2.324 64.614 62.300 -0.015 0.000 3.697 339 V CB -1.912 29.903 31.823 -0.013 0.000 1.169 339 V HN 0.953 nan 8.190 nan 0.000 1.121 340 Q N 0.817 120.595 119.800 -0.037 0.000 2.490 340 Q HA 0.408 4.764 4.340 0.027 0.000 0.255 340 Q C -0.367 175.591 176.000 -0.070 0.000 0.997 340 Q CA -0.656 55.112 55.803 -0.058 0.000 0.709 340 Q CB 1.086 29.783 28.738 -0.068 0.000 1.255 340 Q HN 0.650 nan 8.270 nan 0.000 0.486 341 K N 1.291 121.650 120.400 -0.070 0.000 2.143 341 K HA 0.857 5.193 4.320 0.027 0.000 0.272 341 K C -1.059 175.464 176.600 -0.129 0.000 1.001 341 K CA -0.604 55.638 56.287 -0.075 0.000 0.915 341 K CB 1.963 34.438 32.500 -0.042 0.000 1.047 341 K HN 0.402 nan 8.250 nan 0.000 0.458 342 A N 1.835 124.572 122.820 -0.138 0.000 2.547 342 A HA 0.331 4.667 4.320 0.027 0.000 0.297 342 A C -1.151 176.346 177.584 -0.146 0.000 1.056 342 A CA -0.924 50.987 52.037 -0.210 0.000 0.688 342 A CB 1.749 20.598 19.000 -0.252 0.000 1.282 342 A HN 0.573 nan 8.150 nan 0.000 0.400 343 V N 2.156 121.975 119.914 -0.158 0.000 2.529 343 V HA 0.185 4.321 4.120 0.027 0.000 0.292 343 V C 0.771 176.865 176.094 -0.001 0.000 1.028 343 V CA 0.542 62.830 62.300 -0.021 0.000 1.074 343 V CB 0.193 32.029 31.823 0.022 0.000 0.958 343 V HN 1.007 nan 8.190 nan 0.000 0.481 344 c N 5.564 124.191 118.600 0.045 0.000 2.634 344 c HA 0.230 4.816 4.570 0.027 0.000 0.268 344 c C 1.059 175.166 174.090 0.029 0.000 1.322 344 c CA -0.269 56.062 56.329 0.004 0.000 1.737 344 c CB -1.701 40.791 42.510 -0.030 0.000 1.976 344 c HN 1.013 nan 8.230 nan 0.000 0.547 345 H N 1.976 121.036 119.070 -0.017 0.000 3.237 345 H HA 0.024 4.595 4.556 0.026 0.000 0.263 345 H C -2.390 172.956 175.328 0.030 0.000 0.854 345 H CA 0.048 56.081 56.048 -0.025 0.000 1.416 345 H CB -0.260 29.453 29.762 -0.081 0.000 1.432 345 H HN 0.271 nan 8.280 nan 0.000 0.529 346 P HA -0.005 nan 4.420 nan 0.000 0.264 346 P C -0.550 176.869 177.300 0.197 0.000 1.236 346 P CA 0.159 63.346 63.100 0.145 0.000 0.811 346 P CB 0.469 32.233 31.700 0.107 0.000 0.840 347 T N 0.461 115.183 114.554 0.280 0.000 2.893 347 T HA 0.778 5.144 4.350 0.027 0.000 0.291 347 T C -0.686 174.302 174.700 0.479 0.000 1.028 347 T CA -1.128 61.171 62.100 0.330 0.000 0.995 347 T CB 2.062 71.174 68.868 0.405 0.000 1.051 347 T HN 0.181 nan 8.240 nan 0.000 0.470 348 A N 1.973 125.001 122.820 0.347 0.000 2.273 348 A HA 0.626 4.962 4.320 0.027 0.000 0.315 348 A C -1.342 176.448 177.584 0.343 0.000 1.256 348 A CA -0.892 51.389 52.037 0.407 0.000 0.851 348 A CB 0.161 19.370 19.000 0.349 0.000 1.172 348 A HN 0.774 nan 8.150 nan 0.000 0.508 349 W N 1.757 123.170 121.300 0.187 0.000 2.314 349 W HA 0.452 5.129 4.660 0.027 0.000 0.310 349 W C -0.317 176.281 176.519 0.131 0.000 1.075 349 W CA -0.272 57.158 57.345 0.142 0.000 1.253 349 W CB 1.471 31.024 29.460 0.155 0.000 1.238 349 W HN 0.657 nan 8.180 nan 0.000 0.440 350 D N 3.558 124.107 120.400 0.248 0.000 2.472 350 D HA 0.196 4.852 4.640 0.027 0.000 0.234 350 D C 0.234 176.579 176.300 0.074 0.000 1.088 350 D CA -0.269 53.812 54.000 0.135 0.000 0.882 350 D CB 0.943 41.908 40.800 0.276 0.000 1.037 350 D HN 0.235 nan 8.370 nan 0.000 0.520 351 L N 2.761 123.965 121.223 -0.031 0.000 2.492 351 L HA 0.369 4.725 4.340 0.027 0.000 0.223 351 L C 1.548 178.547 176.870 0.214 0.000 1.132 351 L CA 0.796 55.639 54.840 0.005 0.000 0.850 351 L CB -0.661 41.253 42.059 -0.242 0.000 0.966 351 L HN 0.694 nan 8.230 nan 0.000 0.454 352 G N -0.535 108.316 108.800 0.085 0.000 2.655 352 G HA2 -0.179 3.797 3.960 0.027 0.000 0.680 352 G HA3 -0.179 3.797 3.960 0.027 0.000 0.680 352 G C -0.089 174.863 174.900 0.086 0.000 1.302 352 G CA -0.484 44.709 45.100 0.157 0.000 0.872 352 G HN 0.116 nan 8.290 nan 0.000 0.540 353 K N -1.126 119.272 120.400 -0.002 0.000 3.012 353 K HA -0.158 4.178 4.320 0.027 0.000 0.259 353 K C 1.485 178.022 176.600 -0.105 0.000 0.989 353 K CA 1.707 57.911 56.287 -0.138 0.000 0.728 353 K CB -1.731 30.490 32.500 -0.465 0.000 1.260 353 K HN 2.737 nan 8.250 nan 0.000 0.480 354 G N 0.916 109.658 108.800 -0.096 0.000 2.187 354 G HA2 -0.326 3.650 3.960 0.027 0.000 0.261 354 G HA3 -0.326 3.650 3.960 0.027 0.000 0.261 354 G C -0.271 174.536 174.900 -0.154 0.000 1.000 354 G CA 0.489 45.584 45.100 -0.008 0.000 0.718 354 G HN 0.578 nan 8.290 nan 0.000 0.519 355 D N 0.126 120.304 120.400 -0.370 0.000 2.396 355 D HA 0.568 5.224 4.640 0.027 0.000 0.225 355 D C -0.100 175.890 176.300 -0.517 0.000 1.121 355 D CA -0.234 53.624 54.000 -0.237 0.000 0.853 355 D CB 0.068 40.899 40.800 0.051 0.000 1.043 355 D HN 0.086 nan 8.370 nan 0.000 0.500 356 F N 2.507 122.470 119.950 0.022 0.000 2.561 356 F HA 0.620 5.163 4.527 0.027 0.000 0.321 356 F C 0.707 176.482 175.800 -0.040 0.000 1.065 356 F CA -0.894 57.134 58.000 0.046 0.000 0.934 356 F CB 1.867 40.932 39.000 0.109 0.000 1.215 356 F HN 0.081 nan 8.300 nan 0.000 0.471 357 R N 0.968 121.572 120.500 0.172 0.000 2.712 357 R HA 0.705 5.061 4.340 0.027 0.000 0.272 357 R C -2.030 174.312 176.300 0.070 0.000 1.032 357 R CA -0.780 55.195 56.100 -0.209 0.000 0.874 357 R CB 2.484 32.404 30.300 -0.633 0.000 1.256 357 R HN 0.628 nan 8.270 nan 0.000 0.468 358 I N 1.860 122.380 120.570 -0.083 0.000 2.619 358 I HA 0.331 4.517 4.170 0.027 0.000 0.292 358 I C -1.308 174.868 176.117 0.098 0.000 1.100 358 I CA -1.018 60.381 61.300 0.165 0.000 1.043 358 I CB 2.211 40.326 38.000 0.193 0.000 1.239 358 I HN 0.248 nan 8.210 nan 0.000 0.420 359 L N 7.782 129.087 121.223 0.138 0.000 2.277 359 L HA 0.632 4.988 4.340 0.027 0.000 0.284 359 L C -1.215 175.678 176.870 0.038 0.000 1.028 359 L CA -0.193 54.598 54.840 -0.082 0.000 0.835 359 L CB 1.000 42.872 42.059 -0.311 0.000 1.215 359 L HN 0.748 nan 8.230 nan 0.000 0.425 360 M N 5.421 125.027 119.600 0.011 0.000 2.277 360 M HA 0.317 4.813 4.480 0.027 0.000 0.282 360 M C -1.259 175.076 176.300 0.059 0.000 1.074 360 M CA -0.293 55.063 55.300 0.094 0.000 0.954 360 M CB 1.573 34.324 32.600 0.252 0.000 1.672 360 M HN 0.574 nan 8.290 nan 0.000 0.471 361 c N 3.366 121.994 118.600 0.045 0.000 2.262 361 c HA 0.319 4.905 4.570 0.027 0.000 0.413 361 c C 0.344 174.486 174.090 0.086 0.000 1.019 361 c CA -0.449 55.902 56.329 0.038 0.000 1.320 361 c CB -1.610 40.903 42.510 0.005 0.000 1.657 361 c HN 0.729 nan 8.230 nan 0.000 0.510 362 T N 4.398 119.037 114.554 0.143 0.000 2.738 362 T HA 0.149 4.515 4.350 0.027 0.000 0.293 362 T C 0.267 175.061 174.700 0.156 0.000 0.913 362 T CA -0.080 62.144 62.100 0.205 0.000 1.103 362 T CB 0.293 69.382 68.868 0.369 0.000 0.880 362 T HN 0.445 nan 8.240 nan 0.000 0.526 363 K N 2.481 122.957 120.400 0.126 0.000 2.130 363 K HA 0.317 4.653 4.320 0.027 0.000 0.268 363 K C -0.140 176.536 176.600 0.126 0.000 0.983 363 K CA -0.876 55.475 56.287 0.106 0.000 0.893 363 K CB 1.638 34.181 32.500 0.071 0.000 1.066 363 K HN 0.302 nan 8.250 nan 0.000 0.450 364 V N 3.992 123.981 119.914 0.125 0.000 2.356 364 V HA 0.019 4.155 4.120 0.027 0.000 0.244 364 V C 0.047 176.190 176.094 0.082 0.000 1.120 364 V CA 0.498 62.879 62.300 0.135 0.000 1.181 364 V CB -1.372 30.532 31.823 0.134 0.000 1.244 364 V HN 0.721 nan 8.190 nan 0.000 0.487 365 T N 3.333 117.938 114.554 0.086 0.000 2.864 365 T HA 0.323 4.689 4.350 0.027 0.000 0.299 365 T C 0.685 175.415 174.700 0.051 0.000 1.166 365 T CA -0.661 61.463 62.100 0.041 0.000 1.007 365 T CB 2.124 71.018 68.868 0.044 0.000 1.219 365 T HN 0.406 nan 8.240 nan 0.000 0.506 366 M N 0.853 120.451 119.600 -0.003 0.000 2.159 366 M HA -0.098 4.398 4.480 0.027 0.000 0.263 366 M C 0.933 177.296 176.300 0.105 0.000 1.063 366 M CA 1.994 57.304 55.300 0.017 0.000 1.110 366 M CB -0.260 32.306 32.600 -0.058 0.000 1.374 366 M HN 0.562 nan 8.290 nan 0.000 0.411 367 D N 0.751 121.182 120.400 0.051 0.000 2.144 367 D HA -0.158 4.498 4.640 0.027 0.000 0.199 367 D C 1.313 177.651 176.300 0.063 0.000 0.984 367 D CA 1.674 55.694 54.000 0.033 0.000 0.834 367 D CB -0.483 40.318 40.800 0.003 0.000 0.955 367 D HN 0.518 nan 8.370 nan 0.000 0.465 368 D N -0.890 119.569 120.400 0.099 0.000 2.234 368 D HA -0.034 4.622 4.640 0.027 0.000 0.205 368 D C 1.534 177.915 176.300 0.134 0.000 0.962 368 D CA 0.188 54.255 54.000 0.111 0.000 0.855 368 D CB -0.165 40.714 40.800 0.131 0.000 0.951 368 D HN 0.181 nan 8.370 nan 0.000 0.500 369 F N 1.157 121.124 119.950 0.028 0.000 2.060 369 F HA -0.120 4.423 4.527 0.027 0.000 0.295 369 F C 1.769 177.613 175.800 0.073 0.000 1.120 369 F CA 1.257 59.296 58.000 0.066 0.000 1.205 369 F CB -0.151 38.882 39.000 0.055 0.000 0.986 369 F HN -0.131 nan 8.300 nan 0.000 0.470 370 L N -0.013 121.233 121.223 0.038 0.000 2.079 370 L HA -0.252 4.104 4.340 0.027 0.000 0.210 370 L C 2.313 179.163 176.870 -0.033 0.000 1.081 370 L CA 1.845 56.619 54.840 -0.110 0.000 0.752 370 L CB -1.376 40.663 42.059 -0.035 0.000 0.896 370 L HN 0.268 nan 8.230 nan 0.000 0.433 371 T N -0.045 114.515 114.554 0.010 0.000 2.777 371 T HA -0.139 4.227 4.350 0.027 0.000 0.266 371 T C 2.103 176.845 174.700 0.070 0.000 1.040 371 T CA 1.185 63.309 62.100 0.039 0.000 1.141 371 T CB -0.268 68.620 68.868 0.034 0.000 0.868 371 T HN 0.453 nan 8.240 nan 0.000 0.444 372 A N 1.912 124.704 122.820 -0.046 0.000 1.884 372 A HA -0.273 4.063 4.320 0.027 0.000 0.219 372 A C 2.081 179.604 177.584 -0.102 0.000 1.197 372 A CA 1.881 53.773 52.037 -0.242 0.000 0.637 372 A CB -1.095 17.491 19.000 -0.690 0.000 0.827 372 A HN 0.662 nan 8.150 nan 0.000 0.450 373 H N -2.426 116.500 119.070 -0.240 0.000 2.387 373 H HA -0.175 4.397 4.556 0.026 0.000 0.299 373 H C 2.132 177.484 175.328 0.040 0.000 1.090 373 H CA 1.844 57.788 56.048 -0.173 0.000 1.332 373 H CB -0.285 29.171 29.762 -0.510 0.000 1.386 373 H HN 0.881 nan 8.280 nan 0.000 0.516 374 H N 0.869 119.966 119.070 0.045 0.000 2.321 374 H HA -0.110 4.462 4.556 0.027 0.000 0.300 374 H C 2.106 177.455 175.328 0.035 0.000 1.087 374 H CA 1.494 57.551 56.048 0.015 0.000 1.319 374 H CB 0.436 30.210 29.762 0.019 0.000 1.379 374 H HN 0.164 nan 8.280 nan 0.000 0.501 375 E N 0.394 120.839 120.200 0.407 0.000 2.077 375 E HA -0.207 4.159 4.350 0.027 0.000 0.193 375 E C 2.377 179.153 176.600 0.292 0.000 0.989 375 E CA 1.230 57.896 56.400 0.443 0.000 0.800 375 E CB -0.469 29.489 29.700 0.431 0.000 0.746 375 E HN 0.597 nan 8.360 nan 0.000 0.452 376 M N 0.365 120.086 119.600 0.203 0.000 2.175 376 M HA -0.068 4.428 4.480 0.027 0.000 0.264 376 M C 2.051 178.212 176.300 -0.231 0.000 1.063 376 M CA 1.865 57.165 55.300 -0.001 0.000 1.119 376 M CB -0.369 32.258 32.600 0.045 0.000 1.377 376 M HN 0.153 nan 8.290 nan 0.000 0.415 377 G N 0.078 108.888 108.800 0.017 0.000 2.599 377 G HA2 -0.323 3.653 3.960 0.027 0.000 0.219 377 G HA3 -0.323 3.653 3.960 0.027 0.000 0.219 377 G C 1.218 176.091 174.900 -0.045 0.000 1.193 377 G CA 1.543 46.623 45.100 -0.034 0.000 0.778 377 G HN 0.538 nan 8.290 nan 0.000 0.589 378 H N 0.249 119.417 119.070 0.164 0.000 2.265 378 H HA -0.096 4.476 4.556 0.026 0.000 0.293 378 H C 2.788 178.236 175.328 0.199 0.000 1.089 378 H CA 1.523 57.764 56.048 0.321 0.000 1.244 378 H CB -0.649 29.254 29.762 0.235 0.000 1.355 378 H HN 0.257 nan 8.280 nan 0.000 0.485 379 I N 1.171 121.852 120.570 0.185 0.000 2.185 379 I HA -0.276 3.910 4.170 0.027 0.000 0.246 379 I C 2.724 178.689 176.117 -0.253 0.000 1.088 379 I CA 1.299 62.597 61.300 -0.004 0.000 1.347 379 I CB -0.553 37.434 38.000 -0.020 0.000 1.041 379 I HN 0.187 nan 8.210 nan 0.000 0.415 380 Q N -0.488 119.129 119.800 -0.305 0.000 2.050 380 Q HA -0.253 4.103 4.340 0.027 0.000 0.202 380 Q C 2.343 178.204 176.000 -0.231 0.000 0.980 380 Q CA 1.842 57.425 55.803 -0.366 0.000 0.840 380 Q CB -0.697 27.733 28.738 -0.513 0.000 0.898 380 Q HN 0.640 nan 8.270 nan 0.000 0.424 381 Y N 0.269 120.389 120.300 -0.301 0.000 2.128 381 Y HA -0.294 4.271 4.550 0.026 0.000 0.284 381 Y C 1.767 177.151 175.900 -0.861 0.000 1.154 381 Y CA 1.133 58.980 58.100 -0.423 0.000 1.149 381 Y CB 0.104 38.337 38.460 -0.378 0.000 0.976 381 Y HN 0.245 nan 8.280 nan 0.000 0.505 382 D N 0.256 120.423 120.400 -0.388 0.000 2.106 382 D HA -0.272 4.384 4.640 0.027 0.000 0.191 382 D C 2.131 178.122 176.300 -0.515 0.000 0.997 382 D CA 1.967 55.657 54.000 -0.517 0.000 0.834 382 D CB -0.333 40.538 40.800 0.118 0.000 0.956 382 D HN 0.457 nan 8.370 nan 0.000 0.448 383 M N 0.380 119.659 119.600 -0.534 0.000 2.117 383 M HA -0.138 4.358 4.480 0.027 0.000 0.262 383 M C 2.352 178.530 176.300 -0.202 0.000 1.065 383 M CA 1.361 56.373 55.300 -0.480 0.000 1.114 383 M CB -0.112 32.151 32.600 -0.562 0.000 1.361 383 M HN -0.032 nan 8.290 nan 0.000 0.408 384 A N 0.102 122.795 122.820 -0.212 0.000 1.898 384 A HA -0.182 4.154 4.320 0.027 0.000 0.216 384 A C 1.722 179.245 177.584 -0.101 0.000 1.181 384 A CA 1.297 53.251 52.037 -0.139 0.000 0.620 384 A CB -1.103 17.672 19.000 -0.374 0.000 0.819 384 A HN 0.754 nan 8.150 nan 0.000 0.442 385 Y N -2.828 117.471 120.300 -0.002 0.000 2.495 385 Y HA 0.630 5.195 4.550 0.026 0.000 0.293 385 Y C 1.686 177.603 175.900 0.029 0.000 1.186 385 Y CA 0.013 58.113 58.100 -0.000 0.000 1.266 385 Y CB -0.372 38.101 38.460 0.022 0.000 1.101 385 Y HN 0.172 nan 8.280 nan 0.000 0.517 386 A N 0.966 123.918 122.820 0.219 0.000 2.168 386 A HA 0.135 4.471 4.320 0.027 0.000 0.215 386 A C 2.192 179.871 177.584 0.159 0.000 1.152 386 A CA 1.049 53.227 52.037 0.235 0.000 0.716 386 A CB -0.640 18.515 19.000 0.260 0.000 0.794 386 A HN 0.657 nan 8.150 nan 0.000 0.465 387 A N -1.054 121.843 122.820 0.127 0.000 2.169 387 A HA 0.135 4.471 4.320 0.027 0.000 0.212 387 A C 1.160 178.784 177.584 0.068 0.000 1.153 387 A CA 0.125 52.214 52.037 0.087 0.000 0.756 387 A CB -0.087 18.958 19.000 0.076 0.000 0.813 387 A HN 0.497 nan 8.150 nan 0.000 0.471 388 Q N 0.554 120.399 119.800 0.075 0.000 2.382 388 Q HA 0.270 4.626 4.340 0.027 0.000 0.229 388 Q C -2.444 173.577 176.000 0.034 0.000 1.006 388 Q CA -2.128 53.696 55.803 0.035 0.000 0.916 388 Q CB -0.132 28.608 28.738 0.004 0.000 1.235 388 Q HN 0.226 nan 8.270 nan 0.000 0.512 389 P HA -0.068 nan 4.420 nan 0.000 0.269 389 P C 0.528 177.878 177.300 0.084 0.000 1.209 389 P CA -0.037 63.099 63.100 0.060 0.000 0.776 389 P CB 0.378 32.109 31.700 0.052 0.000 0.876 390 F N 3.063 123.008 119.950 -0.009 0.000 2.048 390 F HA -0.297 4.247 4.527 0.027 0.000 0.296 390 F C 1.811 177.594 175.800 -0.028 0.000 1.109 390 F CA 1.954 59.946 58.000 -0.013 0.000 1.214 390 F CB -0.877 38.143 39.000 0.034 0.000 0.963 390 F HN 0.112 nan 8.300 nan 0.000 0.491 391 L N -0.426 120.922 121.223 0.209 0.000 2.551 391 L HA -0.130 4.226 4.340 0.027 0.000 0.228 391 L C 1.453 178.254 176.870 -0.114 0.000 1.153 391 L CA 0.272 55.143 54.840 0.052 0.000 0.851 391 L CB -0.395 41.761 42.059 0.163 0.000 0.959 391 L HN 0.225 nan 8.230 nan 0.000 0.451 392 L N -0.817 120.329 121.223 -0.128 0.000 2.640 392 L HA 0.152 4.508 4.340 0.027 0.000 0.230 392 L C 0.814 177.500 176.870 -0.306 0.000 1.123 392 L CA 0.500 55.236 54.840 -0.174 0.000 0.900 392 L CB -0.188 41.809 42.059 -0.102 0.000 1.146 392 L HN 0.050 nan 8.230 nan 0.000 0.484 393 R N 1.379 121.652 120.500 -0.378 0.000 2.308 393 R HA 0.375 4.731 4.340 0.027 0.000 0.325 393 R C -0.525 175.237 176.300 -0.895 0.000 1.161 393 R CA -0.115 55.644 56.100 -0.568 0.000 1.022 393 R CB 0.080 30.248 30.300 -0.221 0.000 1.091 393 R HN 0.070 nan 8.270 nan 0.000 0.497 394 N N 0.322 118.108 118.700 -1.523 0.000 4.046 394 N HA 0.057 4.813 4.740 0.027 0.000 0.217 394 N C -1.017 173.984 175.510 -0.848 0.000 1.317 394 N CA -0.321 52.142 53.050 -0.979 0.000 0.871 394 N CB 1.235 39.449 38.487 -0.456 0.000 1.461 394 N HN 0.543 nan 8.380 nan 0.000 0.489 395 G N 0.419 108.945 108.800 -0.456 0.000 2.491 395 G HA2 0.420 4.396 3.960 0.027 0.000 0.238 395 G HA3 0.420 4.396 3.960 0.027 0.000 0.238 395 G C 1.215 175.997 174.900 -0.196 0.000 1.277 395 G CA 0.442 45.337 45.100 -0.342 0.000 0.851 395 G HN 0.770 nan 8.290 nan 0.000 0.573 396 A N 2.739 125.465 122.820 -0.157 0.000 1.882 396 A HA -0.189 4.147 4.320 0.027 0.000 0.220 396 A C 1.461 178.832 177.584 -0.354 0.000 1.253 396 A CA 2.342 54.152 52.037 -0.378 0.000 0.664 396 A CB -0.806 17.619 19.000 -0.958 0.000 0.838 396 A HN 1.013 nan 8.150 nan 0.000 0.460 397 N N -1.870 116.561 118.700 -0.448 0.000 2.545 397 N HA 0.348 5.104 4.740 0.027 0.000 0.289 397 N C 0.004 175.351 175.510 -0.271 0.000 1.279 397 N CA -0.175 52.607 53.050 -0.447 0.000 0.824 397 N CB 0.566 38.571 38.487 -0.804 0.000 1.395 397 N HN 0.470 nan 8.380 nan 0.000 0.526 398 E N -1.866 118.114 120.200 -0.367 0.000 2.501 398 E HA -0.076 4.290 4.350 0.027 0.000 0.203 398 E C 0.687 177.245 176.600 -0.070 0.000 1.072 398 E CA 1.215 57.486 56.400 -0.215 0.000 0.885 398 E CB -0.547 28.986 29.700 -0.279 0.000 0.813 398 E HN 0.741 nan 8.360 nan 0.000 0.556 399 G N -0.767 108.058 108.800 0.042 0.000 2.944 399 G HA2 0.033 4.009 3.960 0.027 0.000 0.223 399 G HA3 0.033 4.009 3.960 0.027 0.000 0.223 399 G C 0.766 175.954 174.900 0.481 0.000 1.071 399 G CA -0.354 44.905 45.100 0.266 0.000 0.806 399 G HN 0.127 nan 8.290 nan 0.000 0.538 400 F N 1.043 121.096 119.950 0.171 0.000 2.146 400 F HA 0.079 4.620 4.527 0.023 0.000 0.298 400 F C 2.504 178.548 175.800 0.407 0.000 1.096 400 F CA 0.746 58.908 58.000 0.271 0.000 1.275 400 F CB -0.311 38.826 39.000 0.228 0.000 1.008 400 F HN 0.158 nan 8.300 nan 0.000 0.480 401 H N 0.186 119.530 119.070 0.457 0.000 2.321 401 H HA -0.102 4.471 4.556 0.027 0.000 0.300 401 H C 2.141 177.741 175.328 0.452 0.000 1.087 401 H CA 1.618 57.926 56.048 0.434 0.000 1.319 401 H CB 0.012 29.893 29.762 0.198 0.000 1.379 401 H HN 0.151 nan 8.280 nan 0.000 0.501 402 E N 0.271 120.794 120.200 0.538 0.000 2.204 402 E HA -0.056 4.310 4.350 0.027 0.000 0.194 402 E C 2.223 178.972 176.600 0.248 0.000 0.989 402 E CA 0.680 57.349 56.400 0.447 0.000 0.824 402 E CB -0.087 29.818 29.700 0.342 0.000 0.756 402 E HN 0.445 nan 8.360 nan 0.000 0.477 403 A N 0.564 123.541 122.820 0.261 0.000 1.969 403 A HA -0.099 4.237 4.320 0.027 0.000 0.218 403 A C 2.507 180.153 177.584 0.104 0.000 1.169 403 A CA 1.056 53.209 52.037 0.194 0.000 0.635 403 A CB -0.307 18.871 19.000 0.297 0.000 0.810 403 A HN 0.122 nan 8.150 nan 0.000 0.445 404 V N -0.351 119.606 119.914 0.072 0.000 2.302 404 V HA -0.076 4.060 4.120 0.027 0.000 0.243 404 V C 2.871 178.856 176.094 -0.182 0.000 1.036 404 V CA 1.643 63.901 62.300 -0.070 0.000 1.020 404 V CB -1.489 30.285 31.823 -0.082 0.000 0.657 404 V HN 0.566 nan 8.190 nan 0.000 0.453 405 G N -0.168 108.392 108.800 -0.401 0.000 2.597 405 G HA2 -0.313 3.662 3.960 0.027 0.000 0.222 405 G HA3 -0.313 3.662 3.960 0.027 0.000 0.222 405 G C 1.494 176.013 174.900 -0.635 0.000 1.135 405 G CA 1.224 45.783 45.100 -0.903 0.000 0.759 405 G HN 0.481 nan 8.290 nan 0.000 0.595 406 E N 0.263 120.248 120.200 -0.357 0.000 2.008 406 E HA -0.065 4.301 4.350 0.027 0.000 0.191 406 E C 2.756 179.251 176.600 -0.175 0.000 0.986 406 E CA 0.373 56.684 56.400 -0.150 0.000 0.807 406 E CB -0.386 29.273 29.700 -0.068 0.000 0.766 406 E HN 0.269 nan 8.360 nan 0.000 0.450 407 I N 1.538 122.010 120.570 -0.164 0.000 2.231 407 I HA -0.347 3.839 4.170 0.027 0.000 0.251 407 I C 2.215 178.246 176.117 -0.144 0.000 1.076 407 I CA 1.489 62.700 61.300 -0.148 0.000 1.347 407 I CB -1.113 36.844 38.000 -0.071 0.000 1.038 407 I HN 0.172 nan 8.210 nan 0.000 0.429 408 M N 0.285 119.800 119.600 -0.142 0.000 2.064 408 M HA -0.109 4.387 4.480 0.027 0.000 0.260 408 M C 2.593 178.621 176.300 -0.454 0.000 1.073 408 M CA 2.106 57.264 55.300 -0.237 0.000 1.124 408 M CB -2.016 30.532 32.600 -0.087 0.000 1.326 408 M HN 0.447 nan 8.290 nan 0.000 0.410 409 S N 0.758 116.268 115.700 -0.317 0.000 2.420 409 S HA -0.146 4.340 4.470 0.027 0.000 0.237 409 S C 1.992 176.416 174.600 -0.295 0.000 1.023 409 S CA 1.083 59.075 58.200 -0.347 0.000 0.991 409 S CB -0.924 62.176 63.200 -0.167 0.000 0.792 409 S HN 0.315 nan 8.310 nan 0.000 0.488 410 L N 1.934 123.017 121.223 -0.234 0.000 2.046 410 L HA 0.019 4.375 4.340 0.027 0.000 0.208 410 L C 2.613 179.416 176.870 -0.113 0.000 1.077 410 L CA 1.789 56.535 54.840 -0.156 0.000 0.747 410 L CB -1.116 40.803 42.059 -0.234 0.000 0.896 410 L HN 0.335 nan 8.230 nan 0.000 0.432 411 S N -0.514 115.060 115.700 -0.211 0.000 2.345 411 S HA -0.094 4.392 4.470 0.027 0.000 0.219 411 S C 2.097 176.440 174.600 -0.428 0.000 1.031 411 S CA 0.949 59.021 58.200 -0.214 0.000 0.984 411 S CB -0.630 62.510 63.200 -0.100 0.000 0.874 411 S HN 0.582 nan 8.310 nan 0.000 0.451 412 A N 1.337 123.674 122.820 -0.806 0.000 2.042 412 A HA -0.059 4.277 4.320 0.027 0.000 0.222 412 A C 2.117 179.465 177.584 -0.393 0.000 1.167 412 A CA 1.842 53.249 52.037 -1.050 0.000 0.649 412 A CB -0.769 17.338 19.000 -1.489 0.000 0.809 412 A HN 0.544 nan 8.150 nan 0.000 0.457 413 A N -0.597 122.116 122.820 -0.178 0.000 2.195 413 A HA 0.307 4.643 4.320 0.027 0.000 0.210 413 A C 1.397 178.977 177.584 -0.006 0.000 1.165 413 A CA 0.944 53.003 52.037 0.037 0.000 0.806 413 A CB -0.984 18.123 19.000 0.179 0.000 0.847 413 A HN 0.707 nan 8.150 nan 0.000 0.482 414 T N -1.804 112.690 114.554 -0.100 0.000 2.940 414 T HA 0.226 4.592 4.350 0.027 0.000 0.309 414 T C -1.571 173.000 174.700 -0.215 0.000 1.056 414 T CA -0.776 61.144 62.100 -0.299 0.000 1.137 414 T CB 0.765 69.536 68.868 -0.162 0.000 0.976 414 T HN 0.034 nan 8.240 nan 0.000 0.547 415 P HA -0.059 nan 4.420 nan 0.000 0.218 415 P C 1.560 178.827 177.300 -0.055 0.000 1.148 415 P CA 0.863 63.872 63.100 -0.152 0.000 0.822 415 P CB 0.073 31.765 31.700 -0.014 0.000 0.784 416 K N -0.767 119.610 120.400 -0.038 0.000 2.034 416 K HA -0.283 4.053 4.320 0.027 0.000 0.214 416 K C 2.150 178.768 176.600 0.029 0.000 1.051 416 K CA 1.866 58.158 56.287 0.009 0.000 0.931 416 K CB -0.532 31.975 32.500 0.011 0.000 0.715 416 K HN 0.162 nan 8.250 nan 0.000 0.446 417 H N -0.300 118.744 119.070 -0.043 0.000 2.299 417 H HA -0.065 4.507 4.556 0.027 0.000 0.302 417 H C 1.873 177.191 175.328 -0.016 0.000 1.078 417 H CA 1.690 57.735 56.048 -0.004 0.000 1.323 417 H CB -0.047 29.712 29.762 -0.005 0.000 1.381 417 H HN 0.071 nan 8.280 nan 0.000 0.498 418 L N 1.217 122.466 121.223 0.043 0.000 2.043 418 L HA -0.200 4.156 4.340 0.027 0.000 0.212 418 L C 2.395 179.175 176.870 -0.150 0.000 1.075 418 L CA 1.792 56.577 54.840 -0.093 0.000 0.752 418 L CB -1.213 40.728 42.059 -0.198 0.000 0.891 418 L HN 0.305 nan 8.230 nan 0.000 0.432 419 K N -0.316 120.003 120.400 -0.134 0.000 2.074 419 K HA -0.168 4.168 4.320 0.027 0.000 0.209 419 K C 2.012 178.566 176.600 -0.077 0.000 1.048 419 K CA 1.702 57.926 56.287 -0.104 0.000 0.926 419 K CB -0.027 32.456 32.500 -0.029 0.000 0.713 419 K HN 0.447 nan 8.250 nan 0.000 0.444 420 S N -0.697 114.947 115.700 -0.094 0.000 2.575 420 S HA 0.093 4.579 4.470 0.027 0.000 0.215 420 S C 1.292 175.841 174.600 -0.085 0.000 0.966 420 S CA -0.127 58.021 58.200 -0.087 0.000 0.911 420 S CB 0.201 63.336 63.200 -0.108 0.000 0.780 420 S HN 0.151 nan 8.310 nan 0.000 0.514 421 I N 1.208 121.733 120.570 -0.075 0.000 3.968 421 I HA 0.319 4.505 4.170 0.027 0.000 0.328 421 I C 1.928 178.112 176.117 0.112 0.000 1.290 421 I CA 0.796 62.123 61.300 0.045 0.000 1.163 421 I CB -0.863 37.204 38.000 0.111 0.000 1.024 421 I HN 0.534 nan 8.210 nan 0.000 0.413 422 G N 1.520 110.328 108.800 0.013 0.000 2.179 422 G HA2 -0.259 3.717 3.960 0.027 0.000 0.260 422 G HA3 -0.259 3.717 3.960 0.027 0.000 0.260 422 G C 0.466 175.336 174.900 -0.050 0.000 0.977 422 G CA 0.018 45.127 45.100 0.014 0.000 0.641 422 G HN 0.321 nan 8.290 nan 0.000 0.533 423 L N 0.047 121.172 121.223 -0.163 0.000 2.436 423 L HA 0.643 4.999 4.340 0.027 0.000 0.265 423 L C 0.959 177.661 176.870 -0.281 0.000 1.168 423 L CA -1.035 53.597 54.840 -0.346 0.000 0.815 423 L CB 0.875 42.592 42.059 -0.570 0.000 1.109 423 L HN 0.275 nan 8.230 nan 0.000 0.462 424 L N 2.086 123.123 121.223 -0.309 0.000 2.883 424 L HA -0.203 4.153 4.340 0.027 0.000 0.559 424 L C 0.298 177.037 176.870 -0.218 0.000 1.001 424 L CA 0.758 55.383 54.840 -0.357 0.000 1.291 424 L CB -0.916 40.840 42.059 -0.505 0.000 1.557 424 L HN 0.905 nan 8.230 nan 0.000 0.761 425 S N 6.750 122.365 115.700 -0.142 0.000 2.561 425 S HA 0.201 4.687 4.470 0.027 0.000 0.294 425 S C -0.752 173.859 174.600 0.019 0.000 1.294 425 S CA -0.182 57.999 58.200 -0.030 0.000 1.055 425 S CB 0.673 63.889 63.200 0.026 0.000 0.819 425 S HN 0.656 nan 8.310 nan 0.000 0.503 426 P HA -0.131 nan 4.420 nan 0.000 0.216 426 P C 0.110 177.445 177.300 0.057 0.000 1.154 426 P CA 1.271 64.388 63.100 0.029 0.000 0.865 426 P CB -0.334 31.375 31.700 0.015 0.000 0.789 427 D N -0.351 120.087 120.400 0.064 0.000 2.639 427 D HA 0.097 4.753 4.640 0.027 0.000 0.233 427 D C -0.916 175.451 176.300 0.111 0.000 1.161 427 D CA -0.843 53.193 54.000 0.059 0.000 1.003 427 D CB -1.285 39.531 40.800 0.027 0.000 1.034 427 D HN 0.112 nan 8.370 nan 0.000 0.514 428 F N 2.057 121.982 119.950 -0.040 0.000 2.402 428 F HA 0.224 4.767 4.527 0.026 0.000 0.355 428 F C 0.399 176.170 175.800 -0.048 0.000 1.123 428 F CA -1.021 56.951 58.000 -0.046 0.000 1.021 428 F CB 1.199 40.167 39.000 -0.054 0.000 1.160 428 F HN 0.064 nan 8.300 nan 0.000 0.451 429 Q N 3.856 123.281 119.800 -0.625 0.000 2.479 429 Q HA 0.104 4.460 4.340 0.027 0.000 0.267 429 Q C -0.239 175.317 176.000 -0.740 0.000 1.071 429 Q CA -0.089 55.386 55.803 -0.546 0.000 0.935 429 Q CB 0.706 29.194 28.738 -0.417 0.000 1.295 429 Q HN 0.612 nan 8.270 nan 0.000 0.476 430 E N 0.682 120.651 120.200 -0.386 0.000 2.538 430 E HA 0.060 4.426 4.350 0.027 0.000 0.207 430 E C -0.735 175.740 176.600 -0.208 0.000 1.002 430 E CA -0.157 56.076 56.400 -0.278 0.000 0.952 430 E CB 0.320 29.936 29.700 -0.141 0.000 1.031 430 E HN 0.647 nan 8.360 nan 0.000 0.476 431 D N 2.721 122.982 120.400 -0.231 0.000 3.046 431 D HA -0.151 4.505 4.640 0.027 0.000 0.213 431 D C 1.289 177.487 176.300 -0.170 0.000 1.074 431 D CA 0.379 54.268 54.000 -0.184 0.000 0.785 431 D CB 0.373 41.053 40.800 -0.200 0.000 1.160 431 D HN 0.186 nan 8.370 nan 0.000 0.524 432 N N 3.013 121.630 118.700 -0.139 0.000 2.405 432 N HA -0.252 4.504 4.740 0.027 0.000 0.189 432 N C 0.884 176.267 175.510 -0.212 0.000 1.021 432 N CA 1.150 54.125 53.050 -0.126 0.000 0.891 432 N CB -0.074 38.363 38.487 -0.084 0.000 0.955 432 N HN 0.515 nan 8.380 nan 0.000 0.443 433 E N 0.354 120.356 120.200 -0.329 0.000 2.031 433 E HA -0.187 4.179 4.350 0.027 0.000 0.193 433 E C 1.948 178.367 176.600 -0.301 0.000 0.994 433 E CA 2.147 58.192 56.400 -0.591 0.000 0.800 433 E CB -0.867 28.419 29.700 -0.691 0.000 0.752 433 E HN 0.754 nan 8.360 nan 0.000 0.447 434 T N -0.370 114.087 114.554 -0.163 0.000 2.788 434 T HA -0.193 4.173 4.350 0.027 0.000 0.268 434 T C 1.946 176.679 174.700 0.055 0.000 1.044 434 T CA 1.466 63.562 62.100 -0.006 0.000 1.139 434 T CB -0.267 68.606 68.868 0.010 0.000 0.867 434 T HN 0.247 nan 8.240 nan 0.000 0.454 435 E N 0.867 121.071 120.200 0.006 0.000 2.065 435 E HA -0.197 4.169 4.350 0.027 0.000 0.201 435 E C 1.982 178.598 176.600 0.026 0.000 1.016 435 E CA 1.570 58.005 56.400 0.058 0.000 0.818 435 E CB -0.362 29.355 29.700 0.028 0.000 0.749 435 E HN 0.533 nan 8.360 nan 0.000 0.453 436 I N 1.548 122.065 120.570 -0.087 0.000 2.394 436 I HA -0.231 3.954 4.170 0.027 0.000 0.251 436 I C 1.736 177.803 176.117 -0.083 0.000 1.136 436 I CA 1.041 62.225 61.300 -0.194 0.000 1.425 436 I CB -0.311 37.413 38.000 -0.459 0.000 1.079 436 I HN 0.166 nan 8.210 nan 0.000 0.425 437 N N 0.018 118.764 118.700 0.078 0.000 2.142 437 N HA -0.197 4.559 4.740 0.027 0.000 0.186 437 N C 1.717 177.373 175.510 0.243 0.000 1.023 437 N CA 1.053 54.233 53.050 0.217 0.000 0.852 437 N CB -0.599 38.067 38.487 0.298 0.000 0.998 437 N HN 0.288 nan 8.380 nan 0.000 0.424 438 F N 1.718 121.703 119.950 0.058 0.000 2.075 438 F HA -0.092 4.451 4.527 0.026 0.000 0.297 438 F C 1.865 177.684 175.800 0.032 0.000 1.113 438 F CA 1.127 59.145 58.000 0.030 0.000 1.218 438 F CB -0.453 38.566 39.000 0.033 0.000 0.984 438 F HN -0.079 nan 8.300 nan 0.000 0.472 439 L N 0.388 121.517 121.223 -0.156 0.000 1.971 439 L HA -0.264 4.092 4.340 0.027 0.000 0.215 439 L C 2.677 179.543 176.870 -0.007 0.000 1.072 439 L CA 1.716 56.422 54.840 -0.223 0.000 0.758 439 L CB -1.692 40.259 42.059 -0.179 0.000 0.889 439 L HN 0.330 nan 8.230 nan 0.000 0.433 440 L N 0.244 121.499 121.223 0.053 0.000 2.043 440 L HA -0.292 4.064 4.340 0.027 0.000 0.212 440 L C 2.596 179.605 176.870 0.232 0.000 1.075 440 L CA 1.963 56.900 54.840 0.162 0.000 0.752 440 L CB -0.621 41.519 42.059 0.135 0.000 0.891 440 L HN 0.403 nan 8.230 nan 0.000 0.432 441 K N -0.789 119.714 120.400 0.172 0.000 2.009 441 K HA -0.223 4.113 4.320 0.027 0.000 0.210 441 K C 2.083 178.690 176.600 0.011 0.000 1.049 441 K CA 1.541 57.838 56.287 0.016 0.000 0.929 441 K CB 0.005 32.284 32.500 -0.368 0.000 0.714 441 K HN 0.390 nan 8.250 nan 0.000 0.440 442 Q N 0.151 119.909 119.800 -0.071 0.000 1.985 442 Q HA -0.225 4.131 4.340 0.027 0.000 0.207 442 Q C 2.224 178.376 176.000 0.253 0.000 0.996 442 Q CA 1.814 57.633 55.803 0.028 0.000 0.851 442 Q CB -0.715 27.973 28.738 -0.082 0.000 0.921 442 Q HN 0.456 nan 8.270 nan 0.000 0.418 443 A N 1.560 124.634 122.820 0.423 0.000 1.909 443 A HA -0.246 4.090 4.320 0.027 0.000 0.221 443 A C 2.136 179.796 177.584 0.127 0.000 1.223 443 A CA 1.886 54.054 52.037 0.219 0.000 0.658 443 A CB -0.861 18.278 19.000 0.231 0.000 0.831 443 A HN 0.319 nan 8.150 nan 0.000 0.462 444 L N -0.524 120.835 121.223 0.226 0.000 2.051 444 L HA -0.193 4.163 4.340 0.027 0.000 0.214 444 L C 2.634 179.621 176.870 0.196 0.000 1.076 444 L CA 2.614 57.633 54.840 0.298 0.000 0.758 444 L CB -1.944 40.335 42.059 0.366 0.000 0.890 444 L HN 0.512 nan 8.230 nan 0.000 0.433 445 T N -0.606 114.025 114.554 0.129 0.000 2.818 445 T HA 0.079 4.445 4.350 0.027 0.000 0.246 445 T C 1.987 176.756 174.700 0.114 0.000 1.036 445 T CA 0.507 62.659 62.100 0.086 0.000 1.160 445 T CB 0.150 68.956 68.868 -0.103 0.000 0.869 445 T HN 0.027 nan 8.240 nan 0.000 0.419 446 I N 1.775 122.395 120.570 0.084 0.000 2.113 446 I HA -0.087 4.099 4.170 0.027 0.000 0.238 446 I C 2.548 178.629 176.117 -0.060 0.000 1.070 446 I CA 1.335 62.687 61.300 0.087 0.000 1.332 446 I CB -1.514 36.633 38.000 0.244 0.000 1.044 446 I HN 0.095 nan 8.210 nan 0.000 0.402 447 V N 1.487 121.278 119.914 -0.205 0.000 2.488 447 V HA -0.031 4.105 4.120 0.027 0.000 0.246 447 V C 2.818 178.745 176.094 -0.277 0.000 1.046 447 V CA 1.531 63.647 62.300 -0.306 0.000 1.053 447 V CB -1.506 30.072 31.823 -0.409 0.000 0.679 447 V HN 0.493 nan 8.190 nan 0.000 0.458 448 G N -0.177 108.458 108.800 -0.273 0.000 2.574 448 G HA2 -0.388 3.588 3.960 0.027 0.000 0.220 448 G HA3 -0.388 3.588 3.960 0.027 0.000 0.220 448 G C 1.754 176.344 174.900 -0.516 0.000 1.173 448 G CA 1.947 46.679 45.100 -0.614 0.000 0.772 448 G HN 0.431 nan 8.290 nan 0.000 0.585 449 T N 0.266 114.695 114.554 -0.209 0.000 2.951 449 T HA 0.081 4.447 4.350 0.027 0.000 0.268 449 T C 2.491 177.157 174.700 -0.056 0.000 1.073 449 T CA 0.804 62.820 62.100 -0.140 0.000 1.134 449 T CB -0.223 68.597 68.868 -0.079 0.000 0.884 449 T HN 0.226 nan 8.240 nan 0.000 0.479 450 L N 1.051 122.205 121.223 -0.116 0.000 1.971 450 L HA -0.102 4.254 4.340 0.027 0.000 0.215 450 L C -0.445 176.490 176.870 0.109 0.000 1.072 450 L CA 1.852 56.691 54.840 -0.002 0.000 0.758 450 L CB -1.588 40.428 42.059 -0.070 0.000 0.889 450 L HN 0.255 nan 8.230 nan 0.000 0.433 451 P HA -0.198 nan 4.420 nan 0.000 0.216 451 P C 1.535 178.834 177.300 -0.002 0.000 1.153 451 P CA 1.223 64.338 63.100 0.024 0.000 0.848 451 P CB -0.073 31.479 31.700 -0.246 0.000 0.787 452 F N 0.866 120.737 119.950 -0.132 0.000 2.027 452 F HA -0.305 4.238 4.527 0.026 0.000 0.297 452 F C 2.056 177.834 175.800 -0.037 0.000 1.129 452 F CA 2.487 60.434 58.000 -0.089 0.000 1.195 452 F CB -1.270 37.696 39.000 -0.058 0.000 0.960 452 F HN -0.115 nan 8.300 nan 0.000 0.485 453 T N -0.198 114.528 114.554 0.287 0.000 2.624 453 T HA -0.359 4.007 4.350 0.027 0.000 0.268 453 T C 1.603 176.342 174.700 0.064 0.000 1.041 453 T CA 2.056 64.347 62.100 0.318 0.000 1.159 453 T CB -1.186 67.828 68.868 0.244 0.000 0.863 453 T HN 0.611 nan 8.240 nan 0.000 0.434 454 Y N 1.215 121.418 120.300 -0.161 0.000 2.089 454 Y HA -0.183 4.386 4.550 0.031 0.000 0.282 454 Y C 2.693 178.330 175.900 -0.438 0.000 1.139 454 Y CA 1.616 59.460 58.100 -0.427 0.000 1.123 454 Y CB -0.271 37.745 38.460 -0.740 0.000 0.980 454 Y HN 0.030 nan 8.280 nan 0.000 0.493 455 M N 0.209 119.381 119.600 -0.712 0.000 2.149 455 M HA -0.195 4.301 4.480 0.027 0.000 0.261 455 M C 2.111 178.019 176.300 -0.653 0.000 1.064 455 M CA 1.686 56.528 55.300 -0.764 0.000 1.102 455 M CB -0.805 31.451 32.600 -0.574 0.000 1.369 455 M HN 0.570 nan 8.290 nan 0.000 0.408 456 L N 1.262 122.125 121.223 -0.599 0.000 1.961 456 L HA -0.136 4.220 4.340 0.027 0.000 0.210 456 L C 2.174 178.893 176.870 -0.252 0.000 1.072 456 L CA 2.027 56.600 54.840 -0.445 0.000 0.749 456 L CB -1.273 40.442 42.059 -0.574 0.000 0.889 456 L HN 0.269 nan 8.230 nan 0.000 0.432 457 E N -0.241 119.770 120.200 -0.316 0.000 2.265 457 E HA -0.248 4.118 4.350 0.027 0.000 0.196 457 E C 2.094 178.183 176.600 -0.851 0.000 0.996 457 E CA 0.841 56.918 56.400 -0.539 0.000 0.832 457 E CB 0.041 29.330 29.700 -0.686 0.000 0.756 457 E HN 0.388 nan 8.360 nan 0.000 0.491 458 K N 0.151 120.145 120.400 -0.676 0.000 2.062 458 K HA -0.153 4.183 4.320 0.027 0.000 0.205 458 K C 1.709 178.178 176.600 -0.218 0.000 1.051 458 K CA 1.081 57.077 56.287 -0.485 0.000 0.941 458 K CB -0.581 31.468 32.500 -0.753 0.000 0.719 458 K HN 0.113 nan 8.250 nan 0.000 0.440 459 W N 1.654 122.729 121.300 -0.376 0.000 2.332 459 W HA -0.232 4.444 4.660 0.026 0.000 0.321 459 W C 1.828 178.169 176.519 -0.298 0.000 1.219 459 W CA 2.492 59.681 57.345 -0.260 0.000 1.277 459 W CB -0.241 29.152 29.460 -0.111 0.000 1.161 459 W HN -0.008 nan 8.180 nan 0.000 0.476 460 R N -1.014 119.399 120.500 -0.144 0.000 2.080 460 R HA -0.239 4.117 4.340 0.027 0.000 0.236 460 R C 2.085 178.075 176.300 -0.517 0.000 1.137 460 R CA 2.055 57.861 56.100 -0.490 0.000 0.943 460 R CB -1.360 28.880 30.300 -0.100 0.000 0.846 460 R HN 0.212 nan 8.270 nan 0.000 0.431 461 W N 1.052 122.228 121.300 -0.206 0.000 2.318 461 W HA -0.110 4.565 4.660 0.025 0.000 0.313 461 W C 2.213 178.649 176.519 -0.139 0.000 1.221 461 W CA 0.777 58.095 57.345 -0.045 0.000 1.266 461 W CB -0.873 28.611 29.460 0.039 0.000 1.150 461 W HN 0.127 nan 8.180 nan 0.000 0.496 462 M N -0.533 119.083 119.600 0.027 0.000 2.108 462 M HA -0.223 4.273 4.480 0.027 0.000 0.261 462 M C 1.919 178.080 176.300 -0.232 0.000 1.066 462 M CA 1.551 56.796 55.300 -0.091 0.000 1.107 462 M CB -0.924 31.591 32.600 -0.141 0.000 1.356 462 M HN -0.247 nan 8.290 nan 0.000 0.406 463 V N 0.068 119.652 119.914 -0.550 0.000 2.255 463 V HA -0.287 3.849 4.120 0.027 0.000 0.247 463 V C 2.026 177.941 176.094 -0.298 0.000 1.051 463 V CA 2.092 63.985 62.300 -0.678 0.000 1.018 463 V CB -0.832 30.164 31.823 -1.377 0.000 0.641 463 V HN 0.371 nan 8.190 nan 0.000 0.445 464 F N 0.127 120.022 119.950 -0.091 0.000 2.171 464 F HA -0.171 4.371 4.527 0.025 0.000 0.300 464 F C 2.423 178.221 175.800 -0.004 0.000 1.090 464 F CA 1.577 59.564 58.000 -0.021 0.000 1.293 464 F CB -0.315 38.694 39.000 0.015 0.000 1.013 464 F HN 0.012 nan 8.300 nan 0.000 0.486 465 K N 0.453 120.948 120.400 0.159 0.000 2.442 465 K HA 0.002 4.338 4.320 0.027 0.000 0.198 465 K C 1.299 177.938 176.600 0.065 0.000 1.044 465 K CA 0.815 57.160 56.287 0.096 0.000 0.948 465 K CB -0.369 32.172 32.500 0.069 0.000 0.762 465 K HN 0.336 nan 8.250 nan 0.000 0.472 466 G N 0.617 109.450 108.800 0.056 0.000 2.147 466 G HA2 -0.286 3.690 3.960 0.027 0.000 0.244 466 G HA3 -0.286 3.690 3.960 0.027 0.000 0.244 466 G C 0.311 175.238 174.900 0.046 0.000 1.005 466 G CA 0.593 45.730 45.100 0.062 0.000 0.713 466 G HN 0.535 nan 8.290 nan 0.000 0.515 467 E N -0.876 119.333 120.200 0.015 0.000 2.299 467 E HA 0.170 4.536 4.350 0.027 0.000 0.193 467 E C 0.931 177.546 176.600 0.026 0.000 0.998 467 E CA 0.353 56.764 56.400 0.017 0.000 0.851 467 E CB 0.338 30.041 29.700 0.005 0.000 0.795 467 E HN 0.666 nan 8.360 nan 0.000 0.492 468 I N 2.712 123.290 120.570 0.013 0.000 2.330 468 I HA 0.217 4.403 4.170 0.027 0.000 0.286 468 I C -2.404 173.862 176.117 0.249 0.000 1.025 468 I CA -2.474 58.874 61.300 0.080 0.000 1.197 468 I CB 1.194 39.146 38.000 -0.079 0.000 1.358 468 I HN -0.268 nan 8.210 nan 0.000 0.467 469 P HA 0.106 nan 4.420 nan 0.000 0.268 469 P C 0.179 177.568 177.300 0.149 0.000 1.205 469 P CA -0.304 62.888 63.100 0.153 0.000 0.771 469 P CB 0.631 32.388 31.700 0.095 0.000 0.858 470 K N 1.518 121.848 120.400 -0.116 0.000 2.360 470 K HA -0.137 4.199 4.320 0.027 0.000 0.201 470 K C 0.961 177.344 176.600 -0.362 0.000 1.046 470 K CA 1.383 57.295 56.287 -0.626 0.000 0.940 470 K CB -0.255 31.896 32.500 -0.581 0.000 0.748 470 K HN 0.616 nan 8.250 nan 0.000 0.465 471 D N -0.182 120.165 120.400 -0.089 0.000 2.349 471 D HA -0.069 4.587 4.640 0.027 0.000 0.214 471 D C 0.829 177.192 176.300 0.106 0.000 1.063 471 D CA 0.284 54.282 54.000 -0.003 0.000 0.847 471 D CB 0.358 41.157 40.800 -0.002 0.000 0.933 471 D HN 0.185 nan 8.370 nan 0.000 0.513 472 Q N -1.117 118.799 119.800 0.192 0.000 2.093 472 Q HA 0.120 4.476 4.340 0.027 0.000 0.217 472 Q C 0.482 176.731 176.000 0.414 0.000 0.785 472 Q CA -0.626 55.334 55.803 0.262 0.000 1.038 472 Q CB 0.366 29.230 28.738 0.210 0.000 1.190 472 Q HN 0.050 nan 8.270 nan 0.000 0.468 473 W N 1.307 122.715 121.300 0.181 0.000 2.292 473 W HA -0.210 4.467 4.660 0.028 0.000 0.330 473 W C 1.802 178.565 176.519 0.407 0.000 1.264 473 W CA 1.312 58.821 57.345 0.273 0.000 1.235 473 W CB -0.358 29.241 29.460 0.231 0.000 1.164 473 W HN 0.230 nan 8.180 nan 0.000 0.461 474 M N -0.049 119.886 119.600 0.560 0.000 2.476 474 M HA -0.108 4.388 4.480 0.027 0.000 0.262 474 M C 1.863 178.490 176.300 0.545 0.000 1.079 474 M CA 1.156 56.730 55.300 0.457 0.000 1.104 474 M CB -1.139 31.693 32.600 0.386 0.000 1.409 474 M HN -0.009 nan 8.290 nan 0.000 0.467 475 K N 0.541 121.208 120.400 0.445 0.000 2.155 475 K HA -0.105 4.231 4.320 0.027 0.000 0.203 475 K C 1.936 178.760 176.600 0.375 0.000 1.052 475 K CA 0.900 57.416 56.287 0.381 0.000 0.948 475 K CB 0.170 32.838 32.500 0.280 0.000 0.728 475 K HN 0.112 nan 8.250 nan 0.000 0.448 476 K N 0.106 120.736 120.400 0.384 0.000 2.166 476 K HA -0.083 4.253 4.320 0.027 0.000 0.201 476 K C 1.822 178.624 176.600 0.336 0.000 1.052 476 K CA 0.323 56.803 56.287 0.320 0.000 0.969 476 K CB -0.300 32.364 32.500 0.274 0.000 0.761 476 K HN 0.312 nan 8.250 nan 0.000 0.459 477 W N 0.556 121.968 121.300 0.186 0.000 2.321 477 W HA -0.255 4.422 4.660 0.027 0.000 0.306 477 W C 1.178 177.541 176.519 -0.260 0.000 1.217 477 W CA 1.303 58.549 57.345 -0.164 0.000 1.257 477 W CB -0.720 28.379 29.460 -0.600 0.000 1.145 477 W HN 0.101 nan 8.180 nan 0.000 0.509 478 W N 0.736 122.135 121.300 0.165 0.000 2.476 478 W HA -0.053 4.623 4.660 0.028 0.000 0.281 478 W C 2.532 179.065 176.519 0.023 0.000 1.230 478 W CA 1.241 58.617 57.345 0.051 0.000 1.287 478 W CB -0.711 28.863 29.460 0.192 0.000 1.108 478 W HN -0.061 nan 8.180 nan 0.000 0.567 479 E N 0.219 120.587 120.200 0.280 0.000 2.065 479 E HA -0.306 4.060 4.350 0.027 0.000 0.201 479 E C 2.043 178.711 176.600 0.115 0.000 1.016 479 E CA 2.146 58.663 56.400 0.196 0.000 0.818 479 E CB -0.480 29.327 29.700 0.179 0.000 0.749 479 E HN 0.278 nan 8.360 nan 0.000 0.453 480 M N 0.211 119.817 119.600 0.009 0.000 2.213 480 M HA -0.150 4.346 4.480 0.027 0.000 0.263 480 M C 2.037 178.241 176.300 -0.160 0.000 1.062 480 M CA 1.002 56.252 55.300 -0.083 0.000 1.105 480 M CB 0.045 32.534 32.600 -0.186 0.000 1.385 480 M HN -0.081 nan 8.290 nan 0.000 0.417 481 K N 0.403 120.640 120.400 -0.272 0.000 2.025 481 K HA -0.084 4.252 4.320 0.027 0.000 0.207 481 K C 1.997 178.609 176.600 0.020 0.000 1.049 481 K CA 1.411 57.556 56.287 -0.236 0.000 0.933 481 K CB -0.322 31.987 32.500 -0.318 0.000 0.714 481 K HN 0.425 nan 8.250 nan 0.000 0.438 482 R N 0.688 121.271 120.500 0.139 0.000 2.073 482 R HA -0.104 4.252 4.340 0.027 0.000 0.234 482 R C 2.318 178.787 176.300 0.283 0.000 1.134 482 R CA 0.970 57.183 56.100 0.188 0.000 0.952 482 R CB -0.188 30.262 30.300 0.250 0.000 0.850 482 R HN 0.164 nan 8.270 nan 0.000 0.433 483 E N 0.996 121.376 120.200 0.300 0.000 2.007 483 E HA -0.151 4.215 4.350 0.027 0.000 0.194 483 E C 1.999 178.931 176.600 0.553 0.000 0.999 483 E CA 1.539 58.182 56.400 0.405 0.000 0.811 483 E CB -0.032 29.811 29.700 0.238 0.000 0.762 483 E HN 0.282 nan 8.360 nan 0.000 0.450 484 I N -0.181 120.599 120.570 0.350 0.000 2.731 484 I HA -0.133 4.053 4.170 0.027 0.000 0.260 484 I C 2.148 178.528 176.117 0.438 0.000 1.138 484 I CA 0.306 61.857 61.300 0.419 0.000 1.461 484 I CB 0.239 38.377 38.000 0.231 0.000 1.128 484 I HN -0.079 nan 8.210 nan 0.000 0.438 485 V N 0.180 120.207 119.914 0.188 0.000 3.174 485 V HA 0.273 4.409 4.120 0.027 0.000 0.254 485 V C 1.422 177.469 176.094 -0.078 0.000 1.120 485 V CA 0.688 63.086 62.300 0.164 0.000 1.114 485 V CB -0.639 31.244 31.823 0.099 0.000 0.756 485 V HN 0.602 nan 8.190 nan 0.000 0.467 486 G N 0.968 109.418 108.800 -0.584 0.000 2.256 486 G HA2 -0.171 3.805 3.960 0.027 0.000 0.272 486 G HA3 -0.171 3.805 3.960 0.027 0.000 0.272 486 G C -0.266 174.410 174.900 -0.374 0.000 1.076 486 G CA 0.275 44.449 45.100 -1.544 0.000 0.882 486 G HN 0.529 nan 8.290 nan 0.000 0.497 487 V N -0.358 119.517 119.914 -0.065 0.000 2.733 487 V HA 0.729 4.865 4.120 0.027 0.000 0.306 487 V C 0.296 176.542 176.094 0.253 0.000 1.084 487 V CA -0.414 61.978 62.300 0.154 0.000 0.905 487 V CB 2.271 34.246 31.823 0.253 0.000 1.010 487 V HN 0.997 nan 8.190 nan 0.000 0.424 488 V N 1.166 121.218 119.914 0.230 0.000 2.715 488 V HA 0.687 4.823 4.120 0.027 0.000 0.310 488 V C -0.018 176.024 176.094 -0.086 0.000 1.054 488 V CA -0.883 61.510 62.300 0.154 0.000 0.928 488 V CB 1.879 33.761 31.823 0.098 0.000 1.007 488 V HN 0.941 nan 8.190 nan 0.000 0.437 489 E N 3.936 123.817 120.200 -0.530 0.000 2.414 489 E HA 0.133 4.499 4.350 0.027 0.000 0.263 489 E C -2.299 173.973 176.600 -0.547 0.000 1.000 489 E CA -1.289 54.514 56.400 -0.995 0.000 0.914 489 E CB 1.294 29.964 29.700 -1.717 0.000 0.948 489 E HN 0.466 nan 8.360 nan 0.000 0.444 490 P HA -0.038 nan 4.420 nan 0.000 0.221 490 P C 0.515 177.646 177.300 -0.283 0.000 1.155 490 P CA 0.755 63.594 63.100 -0.435 0.000 0.812 490 P CB 0.224 31.461 31.700 -0.771 0.000 0.801 491 V N -3.541 116.038 119.914 -0.558 0.000 2.914 491 V HA 0.716 4.852 4.120 0.027 0.000 0.314 491 V C -3.022 172.371 176.094 -1.169 0.000 1.084 491 V CA -2.999 58.848 62.300 -0.754 0.000 0.963 491 V CB 2.399 33.981 31.823 -0.402 0.000 1.025 491 V HN -0.241 nan 8.190 nan 0.000 0.432 492 P HA 0.349 nan 4.420 nan 0.000 0.276 492 P C -1.327 175.721 177.300 -0.421 0.000 1.230 492 P CA 0.272 62.807 63.100 -0.941 0.000 0.776 492 P CB 0.311 31.578 31.700 -0.721 0.000 0.888 493 H N 1.817 120.673 119.070 -0.357 0.000 2.511 493 H HA 0.240 4.812 4.556 0.026 0.000 0.328 493 H C 0.306 175.678 175.328 0.074 0.000 1.044 493 H CA -0.489 55.410 56.048 -0.248 0.000 1.212 493 H CB 0.590 30.131 29.762 -0.370 0.000 1.428 493 H HN 0.462 nan 8.280 nan 0.000 0.483 494 D N 1.590 122.194 120.400 0.339 0.000 2.398 494 D HA -0.029 4.627 4.640 0.027 0.000 0.247 494 D C 0.829 177.288 176.300 0.265 0.000 1.227 494 D CA -0.416 53.733 54.000 0.247 0.000 0.980 494 D CB 1.070 41.972 40.800 0.169 0.000 1.106 494 D HN 0.294 nan 8.370 nan 0.000 0.493 495 E N -0.601 119.699 120.200 0.168 0.000 2.515 495 E HA -0.071 4.295 4.350 0.027 0.000 0.201 495 E C 1.484 178.126 176.600 0.070 0.000 1.071 495 E CA 0.553 57.037 56.400 0.139 0.000 0.880 495 E CB -0.483 29.267 29.700 0.084 0.000 0.828 495 E HN 0.558 nan 8.360 nan 0.000 0.540 496 T N 0.106 114.674 114.554 0.023 0.000 2.821 496 T HA -0.112 4.254 4.350 0.027 0.000 0.267 496 T C 0.811 175.390 174.700 -0.202 0.000 1.046 496 T CA 0.813 62.835 62.100 -0.130 0.000 1.139 496 T CB -0.221 68.497 68.868 -0.249 0.000 0.871 496 T HN 0.122 nan 8.240 nan 0.000 0.454 497 Y N -0.033 120.178 120.300 -0.148 0.000 2.330 497 Y HA 0.340 4.906 4.550 0.027 0.000 0.341 497 Y C 0.837 176.629 175.900 -0.179 0.000 1.278 497 Y CA -0.915 57.039 58.100 -0.244 0.000 1.453 497 Y CB 0.408 38.602 38.460 -0.444 0.000 1.342 497 Y HN 0.032 nan 8.280 nan 0.000 0.590 498 C N 2.687 121.943 119.300 -0.074 0.000 3.432 498 C HA 0.240 4.716 4.460 0.027 0.000 0.242 498 C C 0.316 175.100 174.990 -0.343 0.000 1.152 498 C CA -0.912 57.984 59.018 -0.204 0.000 1.242 498 C CB -1.529 26.114 27.740 -0.163 0.000 1.802 498 C HN 0.871 nan 8.230 nan 0.000 0.577 499 D N 2.627 122.777 120.400 -0.417 0.000 2.178 499 D HA -0.053 4.603 4.640 0.027 0.000 0.202 499 D C -0.436 175.501 176.300 -0.606 0.000 0.974 499 D CA 1.162 54.924 54.000 -0.396 0.000 0.841 499 D CB -0.666 40.028 40.800 -0.178 0.000 0.953 499 D HN 0.482 nan 8.370 nan 0.000 0.478 500 P HA -0.111 nan 4.420 nan 0.000 0.216 500 P C 1.305 178.224 177.300 -0.634 0.000 1.150 500 P CA 1.537 63.870 63.100 -1.277 0.000 0.837 500 P CB 0.031 30.472 31.700 -2.098 0.000 0.786 501 A N 0.008 122.491 122.820 -0.562 0.000 1.972 501 A HA -0.150 4.186 4.320 0.027 0.000 0.219 501 A C 2.543 180.099 177.584 -0.046 0.000 1.169 501 A CA 1.893 53.757 52.037 -0.290 0.000 0.635 501 A CB -1.645 17.207 19.000 -0.247 0.000 0.810 501 A HN 0.234 nan 8.150 nan 0.000 0.446 502 S N -1.211 114.491 115.700 0.003 0.000 2.493 502 S HA 0.020 4.506 4.470 0.027 0.000 0.243 502 S C 0.664 175.740 174.600 0.794 0.000 0.991 502 S CA 0.180 58.589 58.200 0.348 0.000 0.957 502 S CB -0.647 62.691 63.200 0.229 0.000 0.756 502 S HN 0.463 nan 8.310 nan 0.000 0.521 503 L N 0.779 122.184 121.223 0.304 0.000 2.334 503 L HA 0.306 4.662 4.340 0.027 0.000 0.277 503 L C 1.118 177.957 176.870 -0.053 0.000 1.075 503 L CA -0.426 54.396 54.840 -0.029 0.000 0.804 503 L CB 0.773 42.635 42.059 -0.330 0.000 1.174 503 L HN 0.256 nan 8.230 nan 0.000 0.438 504 F N 2.933 122.711 119.950 -0.288 0.000 2.091 504 F HA -0.298 4.245 4.527 0.026 0.000 0.299 504 F C 2.205 177.758 175.800 -0.411 0.000 1.103 504 F CA 1.977 59.596 58.000 -0.634 0.000 1.228 504 F CB -0.068 38.671 39.000 -0.436 0.000 0.984 504 F HN 0.627 nan 8.300 nan 0.000 0.477 505 H N -1.149 117.844 119.070 -0.128 0.000 2.395 505 H HA -0.061 4.512 4.556 0.027 0.000 0.299 505 H C 2.518 177.836 175.328 -0.017 0.000 1.070 505 H CA 1.658 57.719 56.048 0.022 0.000 1.356 505 H CB -0.590 29.353 29.762 0.301 0.000 1.401 505 H HN 0.264 nan 8.280 nan 0.000 0.524 506 V N 1.323 121.242 119.914 0.008 0.000 2.427 506 V HA -0.206 3.930 4.120 0.027 0.000 0.248 506 V C 2.721 178.791 176.094 -0.039 0.000 1.051 506 V CA 1.915 64.234 62.300 0.032 0.000 1.048 506 V CB -0.417 31.338 31.823 -0.113 0.000 0.666 506 V HN 0.520 nan 8.190 nan 0.000 0.456 507 S N -0.359 115.219 115.700 -0.203 0.000 2.414 507 S HA -0.054 4.432 4.470 0.027 0.000 0.227 507 S C 1.371 175.781 174.600 -0.317 0.000 1.022 507 S CA 0.951 59.005 58.200 -0.243 0.000 0.958 507 S CB -0.416 62.621 63.200 -0.272 0.000 0.797 507 S HN 0.688 nan 8.310 nan 0.000 0.493 508 N N 1.569 119.984 118.700 -0.476 0.000 2.279 508 N HA 0.094 4.850 4.740 0.027 0.000 0.226 508 N C -1.026 174.357 175.510 -0.211 0.000 1.126 508 N CA 0.303 53.094 53.050 -0.433 0.000 0.846 508 N CB 0.146 38.094 38.487 -0.897 0.000 1.050 508 N HN 0.394 nan 8.380 nan 0.000 0.502 509 D N 0.883 121.244 120.400 -0.065 0.000 3.278 509 D HA -0.249 4.407 4.640 0.027 0.000 0.233 509 D C -1.573 174.750 176.300 0.038 0.000 1.149 509 D CA 1.101 55.185 54.000 0.140 0.000 0.957 509 D CB -1.223 39.671 40.800 0.157 0.000 0.913 509 D HN 0.261 nan 8.370 nan 0.000 0.409 510 Y N 1.023 121.501 120.300 0.297 0.000 2.421 510 Y HA 0.394 4.960 4.550 0.026 0.000 0.339 510 Y C 0.647 176.505 175.900 -0.070 0.000 0.996 510 Y CA -0.556 57.635 58.100 0.151 0.000 1.046 510 Y CB 1.813 40.439 38.460 0.276 0.000 1.226 510 Y HN 0.173 nan 8.280 nan 0.000 0.445 511 S N 2.414 117.713 115.700 -0.668 0.000 2.549 511 S HA -0.089 4.397 4.470 0.027 0.000 0.278 511 S C 0.212 174.821 174.600 0.014 0.000 1.344 511 S CA 0.569 58.190 58.200 -0.964 0.000 1.025 511 S CB 0.241 62.944 63.200 -0.827 0.000 0.851 511 S HN 0.731 nan 8.310 nan 0.000 0.530 512 F N 2.033 121.969 119.950 -0.023 0.000 2.819 512 F HA 0.346 4.889 4.527 0.027 0.000 0.325 512 F C 1.458 177.312 175.800 0.090 0.000 1.041 512 F CA -0.415 57.637 58.000 0.087 0.000 1.184 512 F CB 0.028 39.097 39.000 0.114 0.000 1.019 512 F HN 0.603 nan 8.300 nan 0.000 0.590 513 I N 2.181 122.830 120.570 0.131 0.000 2.700 513 I HA -0.205 3.981 4.170 0.027 0.000 0.261 513 I C 2.656 178.811 176.117 0.065 0.000 1.219 513 I CA 1.111 62.467 61.300 0.094 0.000 1.463 513 I CB -0.640 37.484 38.000 0.208 0.000 1.092 513 I HN 0.129 nan 8.210 nan 0.000 0.452 514 R N -0.057 120.422 120.500 -0.035 0.000 2.119 514 R HA -0.267 4.089 4.340 0.027 0.000 0.246 514 R C 1.917 178.085 176.300 -0.220 0.000 1.146 514 R CA 2.176 58.203 56.100 -0.122 0.000 0.962 514 R CB -1.631 28.479 30.300 -0.317 0.000 0.863 514 R HN 0.338 nan 8.270 nan 0.000 0.442 515 Y N -0.157 120.041 120.300 -0.171 0.000 2.352 515 Y HA -0.134 4.432 4.550 0.026 0.000 0.292 515 Y C 2.332 178.171 175.900 -0.103 0.000 1.136 515 Y CA 1.020 59.007 58.100 -0.189 0.000 1.227 515 Y CB -0.660 37.537 38.460 -0.438 0.000 0.991 515 Y HN 0.113 nan 8.280 nan 0.000 0.545 516 Y N 1.170 121.434 120.300 -0.061 0.000 2.109 516 Y HA -0.277 4.287 4.550 0.023 0.000 0.281 516 Y C 2.857 178.670 175.900 -0.146 0.000 1.113 516 Y CA 2.357 60.414 58.100 -0.072 0.000 1.098 516 Y CB -0.750 37.671 38.460 -0.065 0.000 0.996 516 Y HN 0.214 nan 8.280 nan 0.000 0.485 517 T N -0.077 114.519 114.554 0.071 0.000 2.624 517 T HA -0.367 3.999 4.350 0.027 0.000 0.268 517 T C 2.074 176.396 174.700 -0.630 0.000 1.041 517 T CA 1.835 63.753 62.100 -0.305 0.000 1.159 517 T CB -0.871 67.918 68.868 -0.132 0.000 0.863 517 T HN 0.472 nan 8.240 nan 0.000 0.434 518 R N 1.272 121.656 120.500 -0.193 0.000 2.154 518 R HA -0.201 4.155 4.340 0.027 0.000 0.236 518 R C 2.429 178.666 176.300 -0.105 0.000 1.121 518 R CA 2.599 58.687 56.100 -0.020 0.000 0.915 518 R CB -1.466 28.886 30.300 0.087 0.000 0.856 518 R HN 0.463 nan 8.270 nan 0.000 0.431 519 T N 1.261 115.766 114.554 -0.082 0.000 2.795 519 T HA -0.192 4.174 4.350 0.027 0.000 0.266 519 T C 1.670 176.326 174.700 -0.073 0.000 1.056 519 T CA 1.716 63.782 62.100 -0.057 0.000 1.141 519 T CB -0.140 68.665 68.868 -0.106 0.000 0.840 519 T HN 0.179 nan 8.240 nan 0.000 0.493 520 L N -1.058 119.998 121.223 -0.279 0.000 2.145 520 L HA 0.155 4.511 4.340 0.027 0.000 0.201 520 L C 2.092 178.840 176.870 -0.203 0.000 1.075 520 L CA 1.104 55.795 54.840 -0.249 0.000 0.773 520 L CB -0.621 41.239 42.059 -0.331 0.000 0.936 520 L HN 0.193 nan 8.230 nan 0.000 0.451 521 Y N -0.001 120.167 120.300 -0.221 0.000 2.151 521 Y HA -0.332 4.231 4.550 0.022 0.000 0.284 521 Y C 2.676 178.217 175.900 -0.599 0.000 1.166 521 Y CA 1.270 59.023 58.100 -0.578 0.000 1.163 521 Y CB -1.231 36.802 38.460 -0.712 0.000 0.974 521 Y HN 0.286 nan 8.280 nan 0.000 0.511 522 Q N -0.260 119.443 119.800 -0.162 0.000 2.045 522 Q HA -0.288 4.068 4.340 0.027 0.000 0.215 522 Q C 1.808 177.649 176.000 -0.266 0.000 1.026 522 Q CA 2.923 58.605 55.803 -0.203 0.000 0.885 522 Q CB -0.576 27.975 28.738 -0.312 0.000 0.984 522 Q HN 0.468 nan 8.270 nan 0.000 0.414 523 F N 0.222 120.107 119.950 -0.110 0.000 2.367 523 F HA -0.029 4.513 4.527 0.025 0.000 0.298 523 F C 2.460 178.243 175.800 -0.030 0.000 1.094 523 F CA 0.853 58.812 58.000 -0.068 0.000 1.409 523 F CB -0.068 38.892 39.000 -0.068 0.000 1.064 523 F HN 0.205 nan 8.300 nan 0.000 0.528 524 Q N -0.202 119.630 119.800 0.053 0.000 1.975 524 Q HA -0.199 4.157 4.340 0.027 0.000 0.205 524 Q C 2.149 178.192 176.000 0.072 0.000 0.990 524 Q CA 1.814 57.624 55.803 0.011 0.000 0.845 524 Q CB -0.591 28.085 28.738 -0.102 0.000 0.913 524 Q HN 0.271 nan 8.270 nan 0.000 0.420 525 F N 1.345 121.301 119.950 0.011 0.000 2.063 525 F HA -0.297 4.247 4.527 0.029 0.000 0.298 525 F C 2.623 178.405 175.800 -0.031 0.000 1.105 525 F CA 1.740 59.713 58.000 -0.045 0.000 1.215 525 F CB -1.164 37.764 39.000 -0.120 0.000 0.972 525 F HN 0.143 nan 8.300 nan 0.000 0.483 526 Q N 0.266 120.157 119.800 0.152 0.000 2.135 526 Q HA -0.216 4.140 4.340 0.027 0.000 0.204 526 Q C 2.173 178.236 176.000 0.105 0.000 0.981 526 Q CA 1.974 57.822 55.803 0.074 0.000 0.856 526 Q CB -0.398 28.339 28.738 -0.001 0.000 0.902 526 Q HN 0.526 nan 8.270 nan 0.000 0.425 527 E N -1.140 119.143 120.200 0.140 0.000 2.038 527 E HA -0.225 4.141 4.350 0.027 0.000 0.195 527 E C 1.774 178.442 176.600 0.114 0.000 1.000 527 E CA 1.099 57.581 56.400 0.136 0.000 0.803 527 E CB -0.229 29.556 29.700 0.142 0.000 0.750 527 E HN 0.483 nan 8.360 nan 0.000 0.448 528 A N 0.502 123.396 122.820 0.123 0.000 1.933 528 A HA -0.154 4.182 4.320 0.027 0.000 0.218 528 A C 2.010 179.641 177.584 0.077 0.000 1.175 528 A CA 0.937 53.038 52.037 0.107 0.000 0.628 528 A CB -0.356 18.724 19.000 0.133 0.000 0.814 528 A HN 0.202 nan 8.150 nan 0.000 0.444 529 L N -0.625 120.639 121.223 0.069 0.000 2.141 529 L HA -0.114 4.242 4.340 0.027 0.000 0.209 529 L C 2.505 179.393 176.870 0.031 0.000 1.094 529 L CA 1.294 56.153 54.840 0.032 0.000 0.763 529 L CB -1.135 40.932 42.059 0.013 0.000 0.908 529 L HN 0.522 nan 8.230 nan 0.000 0.437 530 c N -1.787 116.838 118.600 0.041 0.000 2.467 530 c HA -0.075 4.511 4.570 0.027 0.000 0.279 530 c C 2.721 176.869 174.090 0.096 0.000 1.347 530 c CA -0.046 56.310 56.329 0.046 0.000 1.748 530 c CB -0.524 41.983 42.510 -0.004 0.000 1.977 530 c HN 0.541 nan 8.230 nan 0.000 0.501 531 Q N 0.932 120.785 119.800 0.088 0.000 2.050 531 Q HA -0.160 4.195 4.340 0.027 0.000 0.202 531 Q C 2.421 178.458 176.000 0.063 0.000 0.980 531 Q CA 1.846 57.698 55.803 0.081 0.000 0.840 531 Q CB -0.261 28.522 28.738 0.075 0.000 0.898 531 Q HN 0.721 nan 8.270 nan 0.000 0.424 532 A N 0.079 122.930 122.820 0.051 0.000 2.121 532 A HA 0.022 4.358 4.320 0.027 0.000 0.218 532 A C 1.859 179.461 177.584 0.030 0.000 1.154 532 A CA 1.298 53.356 52.037 0.035 0.000 0.679 532 A CB -0.223 18.793 19.000 0.026 0.000 0.795 532 A HN 0.380 nan 8.150 nan 0.000 0.458 533 A N -1.346 121.499 122.820 0.041 0.000 2.308 533 A HA 0.351 4.686 4.320 0.027 0.000 0.217 533 A C 0.757 178.377 177.584 0.060 0.000 1.216 533 A CA 0.242 52.303 52.037 0.040 0.000 0.864 533 A CB -0.043 18.979 19.000 0.037 0.000 0.902 533 A HN 0.220 nan 8.150 nan 0.000 0.499 534 K N 0.346 120.785 120.400 0.064 0.000 3.096 534 K HA -0.212 4.124 4.320 0.027 0.000 0.266 534 K C -0.170 176.475 176.600 0.075 0.000 1.043 534 K CA 1.012 57.332 56.287 0.056 0.000 0.758 534 K CB -2.585 29.933 32.500 0.028 0.000 1.260 534 K HN 0.860 nan 8.250 nan 0.000 0.481 535 H N 0.762 119.837 119.070 0.008 0.000 2.757 535 H HA 0.099 4.670 4.556 0.026 0.000 0.370 535 H C 1.351 176.678 175.328 -0.002 0.000 1.172 535 H CA 0.764 56.813 56.048 0.002 0.000 1.426 535 H CB 0.843 30.610 29.762 0.008 0.000 1.438 535 H HN 0.117 nan 8.280 nan 0.000 0.612 536 E N 2.272 122.024 120.200 -0.747 0.000 2.176 536 E HA 0.141 4.507 4.350 0.027 0.000 0.194 536 E C 1.253 177.581 176.600 -0.454 0.000 0.947 536 E CA 0.579 56.710 56.400 -0.449 0.000 0.960 536 E CB -0.549 28.971 29.700 -0.299 0.000 1.002 536 E HN 0.740 nan 8.360 nan 0.000 0.479 537 G N 2.452 110.887 108.800 -0.608 0.000 2.486 537 G HA2 0.178 4.154 3.960 0.027 0.000 0.272 537 G HA3 0.178 4.154 3.960 0.027 0.000 0.272 537 G C -2.275 172.606 174.900 -0.033 0.000 1.426 537 G CA -0.639 44.320 45.100 -0.234 0.000 1.058 537 G HN 0.003 nan 8.290 nan 0.000 0.531 538 P HA 0.069 nan 4.420 nan 0.000 0.264 538 P C 1.090 178.409 177.300 0.032 0.000 1.193 538 P CA -0.561 62.564 63.100 0.042 0.000 0.763 538 P CB 0.853 32.600 31.700 0.080 0.000 0.810 539 L N 4.751 126.044 121.223 0.116 0.000 2.058 539 L HA -0.297 4.059 4.340 0.027 0.000 0.226 539 L C 2.386 179.253 176.870 -0.005 0.000 1.089 539 L CA 2.222 57.129 54.840 0.112 0.000 0.799 539 L CB -1.304 40.898 42.059 0.240 0.000 0.900 539 L HN 0.623 nan 8.230 nan 0.000 0.442 540 H N -0.884 118.059 119.070 -0.211 0.000 2.518 540 H HA -0.142 4.429 4.556 0.026 0.000 0.292 540 H C 1.327 176.628 175.328 -0.046 0.000 1.068 540 H CA 1.479 57.270 56.048 -0.429 0.000 1.275 540 H CB -0.386 28.820 29.762 -0.927 0.000 1.375 540 H HN 0.479 nan 8.280 nan 0.000 0.563 541 K N 0.622 120.657 120.400 -0.608 0.000 2.500 541 K HA 0.126 4.462 4.320 0.027 0.000 0.206 541 K C -0.320 176.179 176.600 -0.168 0.000 1.034 541 K CA -0.238 55.842 56.287 -0.346 0.000 1.179 541 K CB 0.087 32.361 32.500 -0.376 0.000 0.884 541 K HN 0.196 nan 8.250 nan 0.000 0.493 542 c N 1.664 120.048 118.600 -0.360 0.000 2.347 542 c HA 0.303 4.889 4.570 0.027 0.000 0.353 542 c C -0.492 173.461 174.090 -0.229 0.000 1.273 542 c CA -0.658 55.267 56.329 -0.673 0.000 1.861 542 c CB -0.003 41.959 42.510 -0.914 0.000 2.420 542 c HN 0.340 nan 8.230 nan 0.000 0.542 543 D N 4.322 124.655 120.400 -0.113 0.000 2.440 543 D HA 0.244 4.900 4.640 0.027 0.000 0.239 543 D C 0.983 177.318 176.300 0.057 0.000 1.084 543 D CA -0.637 53.375 54.000 0.020 0.000 0.843 543 D CB 0.874 41.738 40.800 0.107 0.000 1.097 543 D HN 0.660 nan 8.370 nan 0.000 0.531 544 I N 1.039 121.655 120.570 0.077 0.000 3.176 544 I HA 0.020 4.205 4.170 0.027 0.000 0.275 544 I C 0.185 176.294 176.117 -0.013 0.000 1.298 544 I CA -0.190 61.131 61.300 0.035 0.000 1.445 544 I CB -0.361 37.647 38.000 0.014 0.000 1.075 544 I HN 0.133 nan 8.210 nan 0.000 0.482 545 S N 2.231 117.979 115.700 0.081 0.000 2.563 545 S HA 0.098 4.584 4.470 0.027 0.000 0.284 545 S C 0.697 175.273 174.600 -0.041 0.000 1.331 545 S CA 0.024 58.199 58.200 -0.043 0.000 1.047 545 S CB 0.677 64.001 63.200 0.207 0.000 0.859 545 S HN 0.668 nan 8.310 nan 0.000 0.514 546 N N -1.055 117.586 118.700 -0.099 0.000 2.972 546 N HA -0.170 4.586 4.740 0.027 0.000 0.225 546 N C -0.201 175.271 175.510 -0.062 0.000 0.883 546 N CA 1.468 54.480 53.050 -0.064 0.000 1.010 546 N CB -1.517 36.955 38.487 -0.024 0.000 1.052 546 N HN 0.761 nan 8.380 nan 0.000 0.598 547 S N 0.664 116.319 115.700 -0.074 0.000 2.415 547 S HA 0.337 4.823 4.470 0.027 0.000 0.313 547 S C 1.500 176.053 174.600 -0.078 0.000 1.067 547 S CA 0.356 58.522 58.200 -0.058 0.000 1.099 547 S CB 0.575 63.753 63.200 -0.036 0.000 0.991 547 S HN 0.336 nan 8.310 nan 0.000 0.491 548 T N 2.291 116.804 114.554 -0.068 0.000 3.035 548 T HA -0.018 4.348 4.350 0.027 0.000 0.268 548 T C 1.067 175.732 174.700 -0.058 0.000 1.109 548 T CA 0.930 62.986 62.100 -0.075 0.000 1.119 548 T CB -0.235 68.591 68.868 -0.070 0.000 0.900 548 T HN 0.614 nan 8.240 nan 0.000 0.503 549 E N 2.060 122.236 120.200 -0.041 0.000 2.046 549 E HA 0.259 4.625 4.350 0.027 0.000 0.190 549 E C 2.570 179.157 176.600 -0.022 0.000 0.982 549 E CA 1.153 57.538 56.400 -0.024 0.000 0.800 549 E CB -0.788 28.906 29.700 -0.011 0.000 0.756 549 E HN 0.640 nan 8.360 nan 0.000 0.449 550 A N 1.047 123.850 122.820 -0.029 0.000 1.877 550 A HA -0.067 4.269 4.320 0.027 0.000 0.216 550 A C 2.477 180.034 177.584 -0.046 0.000 1.186 550 A CA 1.770 53.788 52.037 -0.032 0.000 0.620 550 A CB -1.442 17.537 19.000 -0.034 0.000 0.822 550 A HN 0.337 nan 8.150 nan 0.000 0.443 551 G N -0.888 107.874 108.800 -0.063 0.000 2.513 551 G HA2 -0.353 3.623 3.960 0.027 0.000 0.219 551 G HA3 -0.353 3.623 3.960 0.027 0.000 0.219 551 G C 1.650 176.541 174.900 -0.015 0.000 1.160 551 G CA 1.550 46.614 45.100 -0.059 0.000 0.767 551 G HN 0.509 nan 8.290 nan 0.000 0.571 552 Q N 0.399 120.187 119.800 -0.021 0.000 2.046 552 Q HA 0.023 4.379 4.340 0.027 0.000 0.200 552 Q C 2.456 178.481 176.000 0.042 0.000 0.975 552 Q CA 1.756 57.569 55.803 0.017 0.000 0.836 552 Q CB -0.419 28.314 28.738 -0.008 0.000 0.896 552 Q HN 0.551 nan 8.270 nan 0.000 0.428 553 K N -0.727 119.676 120.400 0.006 0.000 2.103 553 K HA -0.172 4.164 4.320 0.027 0.000 0.207 553 K C 1.888 178.461 176.600 -0.046 0.000 1.048 553 K CA 1.268 57.551 56.287 -0.006 0.000 0.930 553 K CB -0.181 32.315 32.500 -0.007 0.000 0.716 553 K HN 0.232 nan 8.250 nan 0.000 0.444 554 L N 0.038 121.219 121.223 -0.070 0.000 2.049 554 L HA -0.006 4.350 4.340 0.027 0.000 0.203 554 L C 1.966 178.749 176.870 -0.146 0.000 1.074 554 L CA 1.373 56.109 54.840 -0.173 0.000 0.749 554 L CB -0.687 41.260 42.059 -0.186 0.000 0.907 554 L HN 0.178 nan 8.230 nan 0.000 0.439 555 F N 0.838 120.681 119.950 -0.178 0.000 2.147 555 F HA -0.328 4.215 4.527 0.027 0.000 0.301 555 F C 2.086 177.812 175.800 -0.123 0.000 1.084 555 F CA 2.292 60.198 58.000 -0.157 0.000 1.268 555 F CB -0.465 38.466 39.000 -0.116 0.000 1.009 555 F HN 0.315 nan 8.300 nan 0.000 0.486 556 N N -0.013 118.678 118.700 -0.014 0.000 2.149 556 N HA -0.228 4.528 4.740 0.027 0.000 0.188 556 N C 1.681 177.101 175.510 -0.149 0.000 1.019 556 N CA 1.614 54.624 53.050 -0.067 0.000 0.857 556 N CB -0.253 38.244 38.487 0.017 0.000 0.997 556 N HN 0.450 nan 8.380 nan 0.000 0.426 557 M N -0.914 118.588 119.600 -0.164 0.000 2.541 557 M HA 0.208 4.704 4.480 0.027 0.000 0.252 557 M C 1.178 177.363 176.300 -0.192 0.000 1.125 557 M CA 1.145 56.370 55.300 -0.125 0.000 1.091 557 M CB 0.168 32.731 32.600 -0.062 0.000 1.420 557 M HN -0.078 nan 8.290 nan 0.000 0.486 558 L N 1.230 122.226 121.223 -0.379 0.000 2.162 558 L HA 0.131 4.487 4.340 0.027 0.000 0.205 558 L C 2.668 179.403 176.870 -0.226 0.000 1.086 558 L CA 1.675 56.218 54.840 -0.494 0.000 0.778 558 L CB -0.678 40.999 42.059 -0.636 0.000 0.928 558 L HN 0.562 nan 8.230 nan 0.000 0.446 559 R N -1.798 118.430 120.500 -0.453 0.000 2.189 559 R HA -0.063 4.293 4.340 0.027 0.000 0.218 559 R C 1.735 177.992 176.300 -0.072 0.000 1.074 559 R CA 0.658 56.561 56.100 -0.330 0.000 0.991 559 R CB -0.650 29.303 30.300 -0.579 0.000 0.883 559 R HN 0.127 nan 8.270 nan 0.000 0.457 560 L N 1.223 122.408 121.223 -0.063 0.000 2.265 560 L HA 0.034 4.389 4.340 0.027 0.000 0.215 560 L C 1.587 178.460 176.870 0.005 0.000 1.117 560 L CA 1.810 56.636 54.840 -0.023 0.000 0.782 560 L CB -1.244 40.798 42.059 -0.027 0.000 0.914 560 L HN 0.605 nan 8.230 nan 0.000 0.441 561 G N -0.327 108.530 108.800 0.094 0.000 2.614 561 G HA2 -0.468 3.508 3.960 0.027 0.000 0.303 561 G HA3 -0.468 3.508 3.960 0.027 0.000 0.303 561 G C 0.982 175.794 174.900 -0.147 0.000 1.270 561 G CA 0.608 45.663 45.100 -0.075 0.000 0.988 561 G HN 0.308 nan 8.290 nan 0.000 0.551 562 K N 0.920 121.174 120.400 -0.243 0.000 2.446 562 K HA 0.316 4.652 4.320 0.027 0.000 0.203 562 K C 2.503 179.026 176.600 -0.130 0.000 1.027 562 K CA 1.074 57.248 56.287 -0.189 0.000 1.166 562 K CB -0.255 32.110 32.500 -0.224 0.000 0.869 562 K HN 0.563 nan 8.250 nan 0.000 0.504 563 S N -0.251 115.385 115.700 -0.107 0.000 2.383 563 S HA -0.042 4.444 4.470 0.027 0.000 0.227 563 S C 0.472 175.024 174.600 -0.080 0.000 1.026 563 S CA 0.575 58.727 58.200 -0.080 0.000 0.981 563 S CB 0.043 63.206 63.200 -0.062 0.000 0.818 563 S HN 0.177 nan 8.310 nan 0.000 0.472 564 E N 2.042 122.190 120.200 -0.086 0.000 2.207 564 E HA 0.496 4.862 4.350 0.027 0.000 0.270 564 E C -2.943 173.592 176.600 -0.108 0.000 0.927 564 E CA -2.812 53.528 56.400 -0.100 0.000 0.799 564 E CB 1.023 30.663 29.700 -0.101 0.000 1.172 564 E HN 0.163 nan 8.360 nan 0.000 0.404 565 P HA -0.089 nan 4.420 nan 0.000 0.264 565 P C 1.124 178.317 177.300 -0.179 0.000 1.183 565 P CA 0.019 63.032 63.100 -0.146 0.000 0.763 565 P CB 0.241 31.839 31.700 -0.170 0.000 0.807 566 W N 3.220 124.394 121.300 -0.210 0.000 2.364 566 W HA -0.188 4.487 4.660 0.025 0.000 0.281 566 W C 0.900 177.317 176.519 -0.169 0.000 1.219 566 W CA 1.570 58.684 57.345 -0.386 0.000 1.220 566 W CB -2.176 26.951 29.460 -0.555 0.000 1.127 566 W HN 0.344 nan 8.180 nan 0.000 0.556 567 T N -0.276 113.747 114.554 -0.885 0.000 2.821 567 T HA -0.209 4.157 4.350 0.027 0.000 0.267 567 T C 2.084 176.760 174.700 -0.040 0.000 1.046 567 T CA 1.374 63.066 62.100 -0.681 0.000 1.139 567 T CB -0.836 67.614 68.868 -0.696 0.000 0.871 567 T HN 0.274 nan 8.240 nan 0.000 0.454 568 L N 0.838 122.051 121.223 -0.017 0.000 1.988 568 L HA 0.062 4.418 4.340 0.027 0.000 0.207 568 L C 3.186 180.101 176.870 0.076 0.000 1.071 568 L CA 1.588 56.427 54.840 -0.001 0.000 0.744 568 L CB -0.980 40.928 42.059 -0.251 0.000 0.893 568 L HN 0.414 nan 8.230 nan 0.000 0.433 569 A N -0.073 122.789 122.820 0.070 0.000 1.927 569 A HA -0.274 4.062 4.320 0.027 0.000 0.220 569 A C 2.229 180.041 177.584 0.380 0.000 1.185 569 A CA 1.859 54.008 52.037 0.187 0.000 0.639 569 A CB -0.957 18.137 19.000 0.156 0.000 0.820 569 A HN 0.509 nan 8.150 nan 0.000 0.451 570 L N -0.553 120.969 121.223 0.498 0.000 2.012 570 L HA -0.196 4.160 4.340 0.027 0.000 0.210 570 L C 2.491 179.558 176.870 0.328 0.000 1.073 570 L CA 2.581 57.738 54.840 0.527 0.000 0.748 570 L CB -0.737 41.640 42.059 0.529 0.000 0.891 570 L HN 0.678 nan 8.230 nan 0.000 0.431 571 E N -0.373 119.979 120.200 0.253 0.000 2.204 571 E HA -0.207 4.159 4.350 0.027 0.000 0.194 571 E C 1.593 178.293 176.600 0.167 0.000 0.989 571 E CA 0.806 57.328 56.400 0.205 0.000 0.824 571 E CB 0.189 30.029 29.700 0.233 0.000 0.756 571 E HN 0.511 nan 8.360 nan 0.000 0.477 572 N N -0.146 118.644 118.700 0.150 0.000 2.396 572 N HA -0.101 4.655 4.740 0.027 0.000 0.180 572 N C 1.576 177.143 175.510 0.095 0.000 1.028 572 N CA 0.865 53.974 53.050 0.100 0.000 0.893 572 N CB 0.295 38.820 38.487 0.063 0.000 0.967 572 N HN 0.117 nan 8.380 nan 0.000 0.440 573 V N -0.047 119.950 119.914 0.137 0.000 2.490 573 V HA 0.008 4.144 4.120 0.027 0.000 0.238 573 V C 2.142 178.332 176.094 0.159 0.000 1.056 573 V CA 0.960 63.337 62.300 0.128 0.000 1.075 573 V CB -0.433 31.489 31.823 0.164 0.000 0.746 573 V HN 0.189 nan 8.190 nan 0.000 0.479 574 V N -1.649 118.386 119.914 0.202 0.000 3.644 574 V HA 0.602 4.738 4.120 0.027 0.000 0.267 574 V C 1.377 177.553 176.094 0.136 0.000 1.277 574 V CA 0.658 63.062 62.300 0.173 0.000 1.096 574 V CB -0.268 31.662 31.823 0.179 0.000 0.828 574 V HN 0.931 nan 8.190 nan 0.000 0.446 575 G N 0.171 109.051 108.800 0.135 0.000 2.225 575 G HA2 0.157 4.133 3.960 0.027 0.000 0.264 575 G HA3 0.157 4.133 3.960 0.027 0.000 0.264 575 G C 0.089 175.054 174.900 0.108 0.000 1.060 575 G CA 0.378 45.545 45.100 0.113 0.000 0.833 575 G HN 1.913 nan 8.290 nan 0.000 0.498 576 A N -1.035 121.862 122.820 0.128 0.000 2.486 576 A HA 0.817 5.153 4.320 0.027 0.000 0.300 576 A C 0.617 178.279 177.584 0.131 0.000 1.048 576 A CA -0.104 52.004 52.037 0.118 0.000 0.696 576 A CB 1.032 20.109 19.000 0.129 0.000 1.278 576 A HN 0.180 nan 8.150 nan 0.000 0.405 577 K N 0.519 120.968 120.400 0.081 0.000 2.426 577 K HA 0.091 4.427 4.320 0.027 0.000 0.193 577 K C 0.179 176.836 176.600 0.095 0.000 1.028 577 K CA 0.353 56.662 56.287 0.035 0.000 1.047 577 K CB 0.215 32.658 32.500 -0.095 0.000 0.821 577 K HN 0.580 nan 8.250 nan 0.000 0.513 578 N N 0.743 119.558 118.700 0.192 0.000 2.357 578 N HA 0.242 4.998 4.740 0.027 0.000 0.284 578 N C -1.039 174.678 175.510 0.345 0.000 1.236 578 N CA -0.637 52.599 53.050 0.309 0.000 0.774 578 N CB 1.483 40.140 38.487 0.283 0.000 1.534 578 N HN -0.089 nan 8.380 nan 0.000 0.478 579 M N 1.037 120.891 119.600 0.424 0.000 2.246 579 M HA 0.336 4.831 4.480 0.027 0.000 0.350 579 M C -0.084 176.321 176.300 0.175 0.000 1.406 579 M CA -0.016 55.469 55.300 0.308 0.000 1.089 579 M CB 0.190 32.923 32.600 0.223 0.000 1.782 579 M HN 0.199 nan 8.290 nan 0.000 0.457 580 N N 2.275 121.042 118.700 0.112 0.000 2.319 580 N HA 0.381 5.137 4.740 0.027 0.000 0.305 580 N C -0.731 174.786 175.510 0.012 0.000 1.103 580 N CA -0.708 52.381 53.050 0.065 0.000 0.815 580 N CB 2.547 41.080 38.487 0.078 0.000 1.288 580 N HN 0.663 nan 8.380 nan 0.000 0.493 581 V N 3.251 123.149 119.914 -0.026 0.000 3.644 581 V HA 0.174 4.310 4.120 0.027 0.000 0.267 581 V C 1.832 177.892 176.094 -0.057 0.000 1.277 581 V CA 0.521 62.782 62.300 -0.066 0.000 1.096 581 V CB -0.196 31.564 31.823 -0.105 0.000 0.828 581 V HN 0.536 nan 8.190 nan 0.000 0.446 582 R N 1.327 121.814 120.500 -0.021 0.000 2.096 582 R HA -0.042 4.314 4.340 0.027 0.000 0.235 582 R C -0.448 175.865 176.300 0.022 0.000 1.127 582 R CA 1.941 58.040 56.100 -0.002 0.000 0.968 582 R CB -1.623 28.690 30.300 0.021 0.000 0.861 582 R HN 0.437 nan 8.270 nan 0.000 0.440 583 P HA -0.174 nan 4.420 nan 0.000 0.216 583 P C 1.216 178.542 177.300 0.044 0.000 1.150 583 P CA 1.078 64.239 63.100 0.102 0.000 0.843 583 P CB 0.038 31.827 31.700 0.148 0.000 0.787 584 L N -1.422 119.740 121.223 -0.102 0.000 2.044 584 L HA -0.118 4.238 4.340 0.027 0.000 0.205 584 L C 2.006 178.801 176.870 -0.126 0.000 1.075 584 L CA 1.280 55.867 54.840 -0.422 0.000 0.747 584 L CB -0.731 41.085 42.059 -0.404 0.000 0.903 584 L HN -0.131 nan 8.230 nan 0.000 0.435 585 L N 0.381 121.561 121.223 -0.071 0.000 1.990 585 L HA -0.281 4.075 4.340 0.027 0.000 0.213 585 L C 2.232 179.152 176.870 0.083 0.000 1.072 585 L CA 2.141 56.973 54.840 -0.013 0.000 0.755 585 L CB -1.908 40.112 42.059 -0.066 0.000 0.889 585 L HN 0.423 nan 8.230 nan 0.000 0.432 586 N N -1.588 117.160 118.700 0.081 0.000 2.149 586 N HA -0.282 4.474 4.740 0.027 0.000 0.188 586 N C 1.886 177.475 175.510 0.133 0.000 1.019 586 N CA 1.212 54.329 53.050 0.112 0.000 0.857 586 N CB -0.294 38.263 38.487 0.117 0.000 0.997 586 N HN 0.325 nan 8.380 nan 0.000 0.426 587 Y N -0.202 120.084 120.300 -0.024 0.000 2.293 587 Y HA -0.086 4.480 4.550 0.025 0.000 0.291 587 Y C 1.009 176.734 175.900 -0.291 0.000 1.137 587 Y CA 1.344 59.368 58.100 -0.125 0.000 1.202 587 Y CB 0.042 38.332 38.460 -0.283 0.000 0.990 587 Y HN 0.004 nan 8.280 nan 0.000 0.537 588 F N -0.860 119.134 119.950 0.075 0.000 2.721 588 F HA 0.086 4.628 4.527 0.024 0.000 0.301 588 F C 1.945 177.765 175.800 0.033 0.000 1.096 588 F CA -0.098 57.914 58.000 0.020 0.000 1.308 588 F CB 0.010 39.005 39.000 -0.009 0.000 1.086 588 F HN -0.123 nan 8.300 nan 0.000 0.587 589 E N 1.421 121.734 120.200 0.188 0.000 2.119 589 E HA -0.245 4.121 4.350 0.027 0.000 0.221 589 E C -0.497 176.206 176.600 0.172 0.000 1.062 589 E CA 2.015 58.530 56.400 0.191 0.000 0.894 589 E CB -1.781 28.000 29.700 0.135 0.000 0.785 589 E HN 0.214 nan 8.360 nan 0.000 0.472 590 P HA -0.122 nan 4.420 nan 0.000 0.218 590 P C 1.670 179.030 177.300 0.101 0.000 1.148 590 P CA 0.854 63.982 63.100 0.047 0.000 0.822 590 P CB -0.088 31.576 31.700 -0.060 0.000 0.784 591 L N -1.779 119.514 121.223 0.117 0.000 2.109 591 L HA -0.024 4.332 4.340 0.027 0.000 0.207 591 L C 2.137 179.191 176.870 0.307 0.000 1.086 591 L CA 1.580 56.541 54.840 0.202 0.000 0.760 591 L CB -1.402 40.778 42.059 0.203 0.000 0.910 591 L HN -0.168 nan 8.230 nan 0.000 0.437 592 F N 0.655 120.672 119.950 0.112 0.000 2.126 592 F HA -0.224 4.320 4.527 0.028 0.000 0.299 592 F C 2.484 178.275 175.800 -0.014 0.000 1.096 592 F CA 2.003 60.031 58.000 0.047 0.000 1.255 592 F CB -1.002 38.023 39.000 0.042 0.000 0.997 592 F HN 0.336 nan 8.300 nan 0.000 0.479 593 T N -2.610 111.934 114.554 -0.016 0.000 2.777 593 T HA -0.275 4.091 4.350 0.027 0.000 0.266 593 T C 1.819 176.473 174.700 -0.075 0.000 1.040 593 T CA 1.176 63.190 62.100 -0.143 0.000 1.141 593 T CB -1.464 67.383 68.868 -0.035 0.000 0.868 593 T HN 0.532 nan 8.240 nan 0.000 0.444 594 W N 1.556 122.791 121.300 -0.108 0.000 2.335 594 W HA -0.047 4.628 4.660 0.025 0.000 0.311 594 W C 1.806 178.248 176.519 -0.128 0.000 1.213 594 W CA 0.573 57.868 57.345 -0.082 0.000 1.274 594 W CB -0.658 28.785 29.460 -0.030 0.000 1.148 594 W HN 0.059 nan 8.180 nan 0.000 0.498 595 L N 1.412 122.641 121.223 0.009 0.000 1.956 595 L HA -0.287 4.069 4.340 0.027 0.000 0.216 595 L C 2.425 179.073 176.870 -0.371 0.000 1.073 595 L CA 2.326 57.057 54.840 -0.182 0.000 0.762 595 L CB -1.718 40.369 42.059 0.046 0.000 0.889 595 L HN 0.027 nan 8.230 nan 0.000 0.433 596 K N -0.814 119.214 120.400 -0.620 0.000 2.107 596 K HA -0.283 4.053 4.320 0.027 0.000 0.211 596 K C 1.829 178.223 176.600 -0.342 0.000 1.049 596 K CA 2.003 57.871 56.287 -0.699 0.000 0.927 596 K CB -0.374 31.677 32.500 -0.748 0.000 0.714 596 K HN 0.398 nan 8.250 nan 0.000 0.452 597 D N 0.217 120.408 120.400 -0.350 0.000 2.149 597 D HA -0.135 4.521 4.640 0.027 0.000 0.201 597 D C 1.968 178.067 176.300 -0.336 0.000 0.972 597 D CA 0.899 54.724 54.000 -0.292 0.000 0.835 597 D CB 0.176 40.815 40.800 -0.269 0.000 0.966 597 D HN 0.012 nan 8.370 nan 0.000 0.476 598 Q N 0.119 119.607 119.800 -0.521 0.000 2.224 598 Q HA -0.011 4.345 4.340 0.027 0.000 0.203 598 Q C 0.795 176.681 176.000 -0.189 0.000 0.970 598 Q CA 0.880 56.398 55.803 -0.475 0.000 0.865 598 Q CB -0.342 27.928 28.738 -0.780 0.000 0.922 598 Q HN 0.536 nan 8.270 nan 0.000 0.445 599 N N 0.636 119.271 118.700 -0.108 0.000 2.279 599 N HA -0.028 4.728 4.740 0.027 0.000 0.226 599 N C 1.371 176.877 175.510 -0.008 0.000 1.126 599 N CA -0.220 52.836 53.050 0.009 0.000 0.846 599 N CB 0.359 38.940 38.487 0.155 0.000 1.050 599 N HN 0.113 nan 8.380 nan 0.000 0.502 600 K N 0.949 121.318 120.400 -0.052 0.000 2.097 600 K HA -0.140 4.196 4.320 0.027 0.000 0.206 600 K C 0.407 176.996 176.600 -0.019 0.000 1.049 600 K CA 1.493 57.757 56.287 -0.039 0.000 0.933 600 K CB -0.379 32.086 32.500 -0.058 0.000 0.717 600 K HN 0.264 nan 8.250 nan 0.000 0.442 601 N N 0.718 119.405 118.700 -0.021 0.000 2.276 601 N HA 0.067 4.823 4.740 0.027 0.000 0.212 601 N C -0.790 174.726 175.510 0.010 0.000 1.127 601 N CA -0.412 52.633 53.050 -0.008 0.000 0.834 601 N CB 0.641 39.116 38.487 -0.020 0.000 1.014 601 N HN 0.107 nan 8.380 nan 0.000 0.491 602 S N 0.048 115.762 115.700 0.023 0.000 2.599 602 S HA 0.340 4.826 4.470 0.027 0.000 0.294 602 S C -0.956 173.696 174.600 0.087 0.000 1.094 602 S CA -0.783 57.448 58.200 0.051 0.000 0.931 602 S CB 1.652 64.873 63.200 0.034 0.000 1.093 602 S HN 0.168 nan 8.310 nan 0.000 0.488 603 F N 2.484 122.425 119.950 -0.015 0.000 2.424 603 F HA 0.506 5.050 4.527 0.028 0.000 0.356 603 F C -0.555 175.244 175.800 -0.001 0.000 1.110 603 F CA -0.434 57.557 58.000 -0.015 0.000 1.161 603 F CB 0.462 39.450 39.000 -0.021 0.000 1.115 603 F HN 0.249 nan 8.300 nan 0.000 0.507 604 V N 7.145 126.549 119.914 -0.850 0.000 2.318 604 V HA 0.783 4.919 4.120 0.027 0.000 0.271 604 V C 0.368 175.937 176.094 -0.876 0.000 1.030 604 V CA 0.267 62.178 62.300 -0.649 0.000 0.844 604 V CB 0.053 31.549 31.823 -0.546 0.000 1.015 604 V HN 1.184 nan 8.190 nan 0.000 0.460 605 G N 4.592 113.103 108.800 -0.482 0.000 2.353 605 G HA2 0.127 4.103 3.960 0.027 0.000 0.615 605 G HA3 0.127 4.103 3.960 0.027 0.000 0.615 605 G C -1.486 173.505 174.900 0.151 0.000 1.280 605 G CA -0.301 44.510 45.100 -0.481 0.000 1.000 605 G HN 1.349 nan 8.290 nan 0.000 0.516 606 W N -1.119 120.270 121.300 0.148 0.000 3.118 606 W HA 0.791 5.467 4.660 0.026 0.000 0.328 606 W C -0.068 176.571 176.519 0.199 0.000 1.239 606 W CA -0.819 56.657 57.345 0.219 0.000 1.176 606 W CB 1.330 30.849 29.460 0.097 0.000 1.433 606 W HN 1.251 nan 8.180 nan 0.000 0.562 607 S N 0.278 116.214 115.700 0.392 0.000 2.525 607 S HA 0.350 4.836 4.470 0.027 0.000 0.278 607 S C 0.957 175.784 174.600 0.378 0.000 1.234 607 S CA 0.223 58.590 58.200 0.279 0.000 1.058 607 S CB 1.156 64.463 63.200 0.179 0.000 0.983 607 S HN 0.794 nan 8.310 nan 0.000 0.495 608 T N 1.099 115.843 114.554 0.316 0.000 3.113 608 T HA 0.081 4.447 4.350 0.027 0.000 0.256 608 T C 0.763 175.592 174.700 0.215 0.000 1.131 608 T CA 0.485 62.766 62.100 0.301 0.000 1.074 608 T CB -0.188 68.837 68.868 0.261 0.000 0.944 608 T HN 0.545 nan 8.240 nan 0.000 0.516 609 D N 0.518 121.033 120.400 0.191 0.000 2.120 609 D HA 0.080 4.736 4.640 0.027 0.000 0.202 609 D C 0.364 176.730 176.300 0.109 0.000 0.972 609 D CA 0.210 54.285 54.000 0.124 0.000 0.837 609 D CB -0.381 40.480 40.800 0.101 0.000 0.989 609 D HN 0.584 nan 8.370 nan 0.000 0.469 610 W N 1.978 123.279 121.300 0.002 0.000 2.314 610 W HA 0.106 4.782 4.660 0.026 0.000 0.339 610 W C -0.465 176.005 176.519 -0.081 0.000 1.293 610 W CA 0.660 57.983 57.345 -0.037 0.000 1.288 610 W CB 0.414 29.870 29.460 -0.006 0.000 1.186 610 W HN -0.290 nan 8.180 nan 0.000 0.566 611 S N 7.300 122.315 115.700 -1.141 0.000 2.575 611 S HA 0.243 4.729 4.470 0.027 0.000 0.278 611 S C -1.906 171.775 174.600 -1.532 0.000 1.139 611 S CA -0.972 56.502 58.200 -1.209 0.000 0.954 611 S CB 2.289 64.841 63.200 -1.080 0.000 1.054 611 S HN 0.350 nan 8.310 nan 0.000 0.483 612 P HA -0.115 nan 4.420 nan 0.000 0.218 612 P C 0.963 178.048 177.300 -0.358 0.000 1.148 612 P CA 1.131 63.831 63.100 -0.667 0.000 0.822 612 P CB -0.100 31.491 31.700 -0.180 0.000 0.784 613 Y N -2.039 118.051 120.300 -0.351 0.000 2.436 613 Y HA 0.488 5.054 4.550 0.026 0.000 0.288 613 Y C 2.029 177.803 175.900 -0.210 0.000 1.112 613 Y CA 0.461 58.422 58.100 -0.231 0.000 1.220 613 Y CB -1.348 36.982 38.460 -0.217 0.000 1.073 613 Y HN -0.198 nan 8.280 nan 0.000 0.552 614 A N 0.359 122.685 122.820 -0.825 0.000 2.259 614 A HA 0.069 4.405 4.320 0.027 0.000 0.208 614 A C 0.470 177.852 177.584 -0.337 0.000 1.201 614 A CA 0.088 51.809 52.037 -0.526 0.000 0.824 614 A CB -0.658 17.924 19.000 -0.697 0.000 0.838 614 A HN 0.480 nan 8.150 nan 0.000 0.485 615 D N 0.000 120.201 120.400 -0.332 0.000 6.856 615 D HA 0.000 4.656 4.640 0.027 0.000 0.175 615 D CA 0.000 53.877 54.000 -0.205 0.000 0.868 615 D CB 0.000 40.667 40.800 -0.222 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683