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 3d0i_1_B DATA FIRST_RESID 19 DATA SEQUENCE STTEELAKTF LETFNYEAQE LSYQSSVASW 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 0.000 174.620 174.600 0.033 0.000 1.055 19 S CA 0.000 58.219 58.200 0.033 0.000 1.107 19 S CB 0.000 63.213 63.200 0.022 0.000 0.593 20 T N 0.952 115.528 114.554 0.036 0.000 2.726 20 T HA 0.273 4.622 4.350 -0.002 0.000 0.294 20 T C 1.368 176.102 174.700 0.057 0.000 1.013 20 T CA 0.723 62.844 62.100 0.036 0.000 0.996 20 T CB 0.550 69.438 68.868 0.033 0.000 1.016 20 T HN 0.043 nan 8.240 nan 0.000 0.529 21 T N 0.069 114.657 114.554 0.056 0.000 2.867 21 T HA -0.037 4.312 4.350 -0.002 0.000 0.268 21 T C 1.747 176.532 174.700 0.141 0.000 1.057 21 T CA 1.420 63.576 62.100 0.092 0.000 1.136 21 T CB -0.351 68.552 68.868 0.060 0.000 0.874 21 T HN 0.827 nan 8.240 nan 0.000 0.466 22 E N 0.696 120.951 120.200 0.091 0.000 2.106 22 E HA -0.159 4.190 4.350 -0.002 0.000 0.192 22 E C 2.094 178.740 176.600 0.077 0.000 0.984 22 E CA 0.853 57.299 56.400 0.076 0.000 0.806 22 E CB 0.138 29.867 29.700 0.049 0.000 0.750 22 E HN 0.256 nan 8.360 nan 0.000 0.458 23 E N 0.412 120.659 120.200 0.078 0.000 2.107 23 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 23 E C 2.237 178.899 176.600 0.104 0.000 0.982 23 E CA 0.559 57.004 56.400 0.075 0.000 0.809 23 E CB -0.145 29.591 29.700 0.061 0.000 0.756 23 E HN 0.392 nan 8.360 nan 0.000 0.459 24 L N 0.345 121.658 121.223 0.150 0.000 2.083 24 L HA -0.124 4.215 4.340 -0.002 0.000 0.209 24 L C 2.449 179.456 176.870 0.227 0.000 1.083 24 L CA 1.132 56.111 54.840 0.233 0.000 0.752 24 L CB -0.620 41.620 42.059 0.302 0.000 0.899 24 L HN 0.051 nan 8.230 nan 0.000 0.433 25 A N 0.302 123.195 122.820 0.123 0.000 1.855 25 A HA -0.184 4.135 4.320 -0.002 0.000 0.215 25 A C 2.343 179.900 177.584 -0.046 0.000 1.191 25 A CA 1.403 53.314 52.037 -0.210 0.000 0.613 25 A CB -0.341 18.597 19.000 -0.103 0.000 0.829 25 A HN 0.247 nan 8.150 nan 0.000 0.442 26 K N -0.681 119.731 120.400 0.021 0.000 2.015 26 K HA -0.176 4.143 4.320 -0.002 0.000 0.216 26 K C 1.968 178.605 176.600 0.061 0.000 1.052 26 K CA 2.119 58.429 56.287 0.037 0.000 0.937 26 K CB -0.683 31.845 32.500 0.046 0.000 0.719 26 K HN 0.526 nan 8.250 nan 0.000 0.446 27 T N 0.786 115.394 114.554 0.090 0.000 2.977 27 T HA -0.132 4.217 4.350 -0.002 0.000 0.271 27 T C 1.342 176.138 174.700 0.160 0.000 1.105 27 T CA 0.938 63.108 62.100 0.116 0.000 1.116 27 T CB -0.241 68.698 68.868 0.118 0.000 0.878 27 T HN 0.269 nan 8.240 nan 0.000 0.509 28 F N 1.463 121.390 119.950 -0.038 0.000 2.094 28 F HA 0.028 4.554 4.527 -0.002 0.000 0.291 28 F C 1.849 177.663 175.800 0.024 0.000 1.109 28 F CA 0.596 58.561 58.000 -0.058 0.000 1.221 28 F CB -0.112 38.687 39.000 -0.334 0.000 1.014 28 F HN -0.085 nan 8.300 nan 0.000 0.473 29 L N 1.042 122.108 121.223 -0.263 0.000 2.042 29 L HA -0.225 4.114 4.340 -0.002 0.000 0.210 29 L C 2.283 179.137 176.870 -0.027 0.000 1.076 29 L CA 1.782 56.483 54.840 -0.232 0.000 0.749 29 L CB -1.655 40.356 42.059 -0.081 0.000 0.893 29 L HN 0.342 nan 8.230 nan 0.000 0.432 30 E N -0.685 119.537 120.200 0.037 0.000 2.097 30 E HA -0.219 4.129 4.350 -0.002 0.000 0.196 30 E C 2.007 178.751 176.600 0.239 0.000 1.000 30 E CA 2.010 58.495 56.400 0.142 0.000 0.804 30 E CB 0.003 29.809 29.700 0.176 0.000 0.740 30 E HN 0.488 nan 8.360 nan 0.000 0.454 31 T N 0.525 115.166 114.554 0.144 0.000 2.857 31 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 31 T C 1.427 176.213 174.700 0.143 0.000 1.048 31 T CA 0.843 63.037 62.100 0.157 0.000 1.139 31 T CB -0.347 68.606 68.868 0.142 0.000 0.874 31 T HN 0.196 nan 8.240 nan 0.000 0.455 32 F N 2.531 122.401 119.950 -0.133 0.000 2.026 32 F HA -0.207 4.319 4.527 -0.002 0.000 0.296 32 F C 2.088 177.890 175.800 0.005 0.000 1.133 32 F CA 1.719 59.674 58.000 -0.076 0.000 1.188 32 F CB -0.553 38.233 39.000 -0.356 0.000 0.968 32 F HN 0.158 nan 8.300 nan 0.000 0.476 33 N N -1.154 117.455 118.700 -0.151 0.000 2.060 33 N HA -0.307 4.432 4.740 -0.002 0.000 0.195 33 N C 1.723 176.977 175.510 -0.427 0.000 1.028 33 N CA 2.003 54.854 53.050 -0.331 0.000 0.861 33 N CB -0.549 37.836 38.487 -0.170 0.000 1.029 33 N HN 0.362 nan 8.380 nan 0.000 0.428 34 Y N 0.858 121.021 120.300 -0.229 0.000 2.242 34 Y HA -0.081 4.468 4.550 -0.002 0.000 0.291 34 Y C 2.559 178.281 175.900 -0.296 0.000 1.137 34 Y CA 0.801 58.773 58.100 -0.213 0.000 1.181 34 Y CB 0.106 38.494 38.460 -0.119 0.000 0.989 34 Y HN 0.047 nan 8.280 nan 0.000 0.527 35 E N -0.038 120.071 120.200 -0.152 0.000 2.076 35 E HA -0.094 4.255 4.350 -0.002 0.000 0.190 35 E C 2.395 178.560 176.600 -0.724 0.000 0.979 35 E CA 0.913 57.115 56.400 -0.330 0.000 0.807 35 E CB -0.397 29.231 29.700 -0.121 0.000 0.761 35 E HN 0.366 nan 8.360 nan 0.000 0.454 36 A N 1.305 123.615 122.820 -0.849 0.000 1.892 36 A HA -0.270 4.049 4.320 -0.002 0.000 0.218 36 A C 2.146 179.134 177.584 -0.993 0.000 1.188 36 A CA 1.919 53.409 52.037 -0.911 0.000 0.631 36 A CB -0.698 17.507 19.000 -1.326 0.000 0.822 36 A HN 0.283 nan 8.150 nan 0.000 0.447 37 Q N -0.904 118.332 119.800 -0.941 0.000 2.152 37 Q HA -0.222 4.117 4.340 -0.002 0.000 0.206 37 Q C 2.026 177.792 176.000 -0.390 0.000 0.985 37 Q CA 1.607 57.047 55.803 -0.605 0.000 0.863 37 Q CB -0.170 28.326 28.738 -0.402 0.000 0.904 37 Q HN 0.661 nan 8.270 nan 0.000 0.422 38 E N 0.470 120.446 120.200 -0.373 0.000 2.028 38 E HA -0.104 4.245 4.350 -0.002 0.000 0.190 38 E C 2.174 178.624 176.600 -0.251 0.000 0.984 38 E CA 0.791 57.042 56.400 -0.248 0.000 0.800 38 E CB -0.267 29.306 29.700 -0.211 0.000 0.758 38 E HN 0.373 nan 8.360 nan 0.000 0.448 39 L N 0.836 121.829 121.223 -0.383 0.000 2.027 39 L HA -0.117 4.222 4.340 -0.002 0.000 0.206 39 L C 2.726 179.289 176.870 -0.511 0.000 1.074 39 L CA 1.220 55.873 54.840 -0.312 0.000 0.745 39 L CB -0.604 41.352 42.059 -0.171 0.000 0.898 39 L HN 0.111 nan 8.230 nan 0.000 0.433 40 S N -0.573 114.536 115.700 -0.986 0.000 2.359 40 S HA -0.283 4.186 4.470 -0.002 0.000 0.224 40 S C 2.111 176.406 174.600 -0.508 0.000 1.035 40 S CA 1.374 58.850 58.200 -1.207 0.000 1.018 40 S CB -0.431 62.122 63.200 -1.078 0.000 0.876 40 S HN 0.440 nan 8.310 nan 0.000 0.448 41 Y N 1.831 121.893 120.300 -0.396 0.000 2.128 41 Y HA -0.166 4.383 4.550 -0.002 0.000 0.284 41 Y C 2.535 178.331 175.900 -0.173 0.000 1.154 41 Y CA 2.358 60.318 58.100 -0.234 0.000 1.149 41 Y CB -0.634 37.704 38.460 -0.204 0.000 0.976 41 Y HN 0.407 nan 8.280 nan 0.000 0.505 42 Q N -1.210 118.515 119.800 -0.126 0.000 2.124 42 Q HA -0.206 4.133 4.340 -0.002 0.000 0.202 42 Q C 2.572 178.490 176.000 -0.136 0.000 0.977 42 Q CA 1.591 57.326 55.803 -0.112 0.000 0.850 42 Q CB -0.329 28.385 28.738 -0.040 0.000 0.901 42 Q HN 0.416 nan 8.270 nan 0.000 0.429 43 S N -0.056 115.544 115.700 -0.166 0.000 2.356 43 S HA -0.155 4.314 4.470 -0.002 0.000 0.223 43 S C 2.066 176.644 174.600 -0.036 0.000 1.032 43 S CA 1.546 59.694 58.200 -0.087 0.000 1.005 43 S CB -0.107 62.999 63.200 -0.158 0.000 0.867 43 S HN 0.309 nan 8.310 nan 0.000 0.449 44 S N 0.848 116.481 115.700 -0.112 0.000 2.348 44 S HA -0.075 4.394 4.470 -0.002 0.000 0.221 44 S C 1.929 176.558 174.600 0.048 0.000 1.033 44 S CA 1.457 59.682 58.200 0.043 0.000 1.010 44 S CB -0.605 62.560 63.200 -0.057 0.000 0.891 44 S HN 0.429 nan 8.310 nan 0.000 0.442 45 V N 2.073 121.834 119.914 -0.255 0.000 2.568 45 V HA -0.230 3.889 4.120 -0.002 0.000 0.253 45 V C 2.493 178.587 176.094 0.001 0.000 1.072 45 V CA 1.649 63.813 62.300 -0.227 0.000 1.084 45 V CB -1.301 30.288 31.823 -0.391 0.000 0.676 45 V HN 0.533 nan 8.190 nan 0.000 0.469 46 A N -0.476 122.359 122.820 0.025 0.000 1.840 46 A HA -0.155 4.164 4.320 -0.002 0.000 0.214 46 A C 2.497 180.194 177.584 0.189 0.000 1.198 46 A CA 1.893 53.985 52.037 0.092 0.000 0.608 46 A CB -0.818 18.221 19.000 0.066 0.000 0.839 46 A HN 0.460 nan 8.150 nan 0.000 0.443 47 S N -1.256 114.601 115.700 0.261 0.000 2.387 47 S HA -0.196 4.273 4.470 -0.002 0.000 0.230 47 S C 1.616 176.473 174.600 0.429 0.000 1.035 47 S CA 1.302 59.749 58.200 0.413 0.000 1.014 47 S CB -0.459 63.044 63.200 0.506 0.000 0.836 47 S HN 0.749 nan 8.310 nan 0.000 0.466 48 W N 2.684 123.999 121.300 0.025 0.000 2.354 48 W HA -0.106 4.553 4.660 -0.002 0.000 0.315 48 W C 1.673 178.031 176.519 -0.268 0.000 1.206 48 W CA 1.333 58.361 57.345 -0.529 0.000 1.290 48 W CB -1.081 27.945 29.460 -0.722 0.000 1.152 48 W HN 0.378 nan 8.180 nan 0.000 0.489 49 N N -0.566 118.220 118.700 0.144 0.000 2.192 49 N HA -0.299 4.440 4.740 -0.002 0.000 0.188 49 N C 1.749 177.244 175.510 -0.025 0.000 1.013 49 N CA 1.845 54.932 53.050 0.062 0.000 0.863 49 N CB -0.687 37.871 38.487 0.118 0.000 0.990 49 N HN 0.192 nan 8.380 nan 0.000 0.430 50 Y N 2.071 122.337 120.300 -0.056 0.000 2.130 50 Y HA -0.078 4.471 4.550 -0.002 0.000 0.287 50 Y C 1.747 177.582 175.900 -0.108 0.000 1.124 50 Y CA 1.500 59.574 58.100 -0.043 0.000 1.118 50 Y CB -0.530 37.946 38.460 0.027 0.000 0.994 50 Y HN -0.054 nan 8.280 nan 0.000 0.497 51 N N -0.626 117.851 118.700 -0.372 0.000 2.348 51 N HA -0.133 4.606 4.740 -0.002 0.000 0.185 51 N C 1.408 176.577 175.510 -0.569 0.000 1.019 51 N CA 1.949 54.718 53.050 -0.469 0.000 0.880 51 N CB -0.299 38.107 38.487 -0.135 0.000 0.965 51 N HN 0.636 nan 8.380 nan 0.000 0.437 52 T N -4.719 109.432 114.554 -0.671 0.000 3.023 52 T HA 0.196 4.545 4.350 -0.002 0.000 0.253 52 T C 0.245 174.718 174.700 -0.379 0.000 1.038 52 T CA -0.312 61.412 62.100 -0.626 0.000 0.962 52 T CB 0.176 68.490 68.868 -0.923 0.000 1.018 52 T HN -0.039 nan 8.240 nan 0.000 0.521 53 N N 0.800 119.302 118.700 -0.330 0.000 2.827 53 N HA 0.251 4.990 4.740 -0.002 0.000 0.240 53 N C -0.624 174.779 175.510 -0.177 0.000 1.352 53 N CA -0.495 52.437 53.050 -0.197 0.000 0.760 53 N CB 0.232 38.647 38.487 -0.119 0.000 1.426 53 N HN 0.279 nan 8.380 nan 0.000 0.561 54 I N 1.323 121.761 120.570 -0.220 0.000 3.426 54 I HA -0.019 4.150 4.170 -0.002 0.000 0.295 54 I C 0.382 176.515 176.117 0.027 0.000 1.215 54 I CA 0.233 61.425 61.300 -0.180 0.000 1.383 54 I CB -1.286 36.592 38.000 -0.205 0.000 1.110 54 I HN 0.298 nan 8.210 nan 0.000 0.540 55 T N 0.038 114.617 114.554 0.042 0.000 2.802 55 T HA -0.035 4.314 4.350 -0.002 0.000 0.305 55 T C 1.269 176.033 174.700 0.107 0.000 1.053 55 T CA -0.293 61.844 62.100 0.061 0.000 1.058 55 T CB 1.592 70.486 68.868 0.043 0.000 0.988 55 T HN 0.332 nan 8.240 nan 0.000 0.539 56 E N 1.252 121.498 120.200 0.078 0.000 2.007 56 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 56 E C 2.211 178.851 176.600 0.068 0.000 0.999 56 E CA 1.995 58.440 56.400 0.074 0.000 0.811 56 E CB -0.309 29.421 29.700 0.051 0.000 0.762 56 E HN 0.863 nan 8.360 nan 0.000 0.450 57 E N 0.036 120.269 120.200 0.055 0.000 2.169 57 E HA -0.323 4.026 4.350 -0.002 0.000 0.202 57 E C 1.859 178.496 176.600 0.061 0.000 1.016 57 E CA 1.638 58.067 56.400 0.048 0.000 0.817 57 E CB -0.520 29.204 29.700 0.041 0.000 0.736 57 E HN 0.192 nan 8.360 nan 0.000 0.462 58 N N 0.526 119.281 118.700 0.091 0.000 2.188 58 N HA -0.109 4.630 4.740 -0.002 0.000 0.184 58 N C 1.887 177.467 175.510 0.118 0.000 1.018 58 N CA 1.222 54.349 53.050 0.129 0.000 0.858 58 N CB -0.077 38.520 38.487 0.182 0.000 0.989 58 N HN 0.151 nan 8.380 nan 0.000 0.426 59 V N 1.007 120.975 119.914 0.089 0.000 2.809 59 V HA -0.182 3.937 4.120 -0.002 0.000 0.256 59 V C 1.935 177.989 176.094 -0.066 0.000 1.080 59 V CA 1.454 63.703 62.300 -0.084 0.000 1.102 59 V CB -0.057 31.726 31.823 -0.066 0.000 0.705 59 V HN 0.152 nan 8.190 nan 0.000 0.475 60 Q N 0.460 120.258 119.800 -0.004 0.000 1.969 60 Q HA -0.097 4.242 4.340 -0.002 0.000 0.198 60 Q C 2.141 178.146 176.000 0.009 0.000 0.978 60 Q CA 2.126 57.931 55.803 0.003 0.000 0.830 60 Q CB -0.507 28.242 28.738 0.017 0.000 0.896 60 Q HN 0.593 nan 8.270 nan 0.000 0.431 61 N N -0.165 118.551 118.700 0.026 0.000 2.192 61 N HA -0.182 4.557 4.740 -0.002 0.000 0.188 61 N C 1.562 177.096 175.510 0.039 0.000 1.013 61 N CA 1.050 54.122 53.050 0.036 0.000 0.863 61 N CB -0.236 38.278 38.487 0.045 0.000 0.990 61 N HN 0.297 nan 8.380 nan 0.000 0.430 62 M N 0.707 120.323 119.600 0.028 0.000 2.117 62 M HA -0.155 4.324 4.480 -0.002 0.000 0.262 62 M C 1.037 177.351 176.300 0.025 0.000 1.065 62 M CA 1.571 56.889 55.300 0.029 0.000 1.114 62 M CB -0.101 32.472 32.600 -0.044 0.000 1.361 62 M HN 0.064 nan 8.290 nan 0.000 0.408 63 N N 0.362 119.060 118.700 -0.003 0.000 2.171 63 N HA -0.114 4.625 4.740 -0.002 0.000 0.184 63 N C 1.251 176.789 175.510 0.046 0.000 1.021 63 N CA 1.224 54.283 53.050 0.016 0.000 0.854 63 N CB -0.296 38.187 38.487 -0.006 0.000 0.994 63 N HN 0.265 nan 8.380 nan 0.000 0.426 64 N N 0.875 119.599 118.700 0.041 0.000 2.020 64 N HA -0.211 4.528 4.740 -0.002 0.000 0.199 64 N C 1.551 177.107 175.510 0.076 0.000 1.059 64 N CA 2.044 55.125 53.050 0.052 0.000 0.877 64 N CB -0.759 37.754 38.487 0.043 0.000 1.078 64 N HN 0.299 nan 8.380 nan 0.000 0.452 65 A N -0.380 122.485 122.820 0.076 0.000 1.972 65 A HA 0.006 4.325 4.320 -0.002 0.000 0.219 65 A C 2.283 179.966 177.584 0.165 0.000 1.169 65 A CA 1.936 54.030 52.037 0.095 0.000 0.635 65 A CB -1.227 17.804 19.000 0.052 0.000 0.810 65 A HN 0.453 nan 8.150 nan 0.000 0.446 66 G N -0.301 108.590 108.800 0.152 0.000 2.448 66 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.219 66 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.219 66 G C 1.066 176.092 174.900 0.211 0.000 1.127 66 G CA 1.259 46.481 45.100 0.203 0.000 0.766 66 G HN 0.527 nan 8.290 nan 0.000 0.552 67 D N 0.576 121.067 120.400 0.153 0.000 2.197 67 D HA 0.021 4.660 4.640 -0.002 0.000 0.212 67 D C 2.382 178.774 176.300 0.154 0.000 0.963 67 D CA 0.519 54.594 54.000 0.125 0.000 0.864 67 D CB -0.265 40.584 40.800 0.082 0.000 1.009 67 D HN 0.211 nan 8.370 nan 0.000 0.479 68 K N 0.500 121.000 120.400 0.166 0.000 2.127 68 K HA -0.180 4.139 4.320 -0.002 0.000 0.208 68 K C 2.056 178.837 176.600 0.301 0.000 1.047 68 K CA 1.120 57.521 56.287 0.191 0.000 0.927 68 K CB -0.115 32.477 32.500 0.154 0.000 0.716 68 K HN 0.359 nan 8.250 nan 0.000 0.450 69 W N 1.340 122.703 121.300 0.105 0.000 2.409 69 W HA -0.160 4.499 4.660 -0.001 0.000 0.299 69 W C 1.845 178.489 176.519 0.208 0.000 1.203 69 W CA 1.025 58.458 57.345 0.147 0.000 1.298 69 W CB -0.016 29.505 29.460 0.101 0.000 1.127 69 W HN 0.017 nan 8.180 nan 0.000 0.528 70 S N 1.245 116.975 115.700 0.050 0.000 2.353 70 S HA -0.236 4.233 4.470 -0.002 0.000 0.222 70 S C 2.096 176.665 174.600 -0.051 0.000 1.035 70 S CA 1.948 60.098 58.200 -0.084 0.000 1.025 70 S CB -1.033 62.172 63.200 0.008 0.000 0.902 70 S HN 0.404 nan 8.310 nan 0.000 0.440 71 A N 1.473 124.323 122.820 0.050 0.000 1.859 71 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 71 A C 1.918 179.545 177.584 0.072 0.000 1.198 71 A CA 2.004 54.078 52.037 0.063 0.000 0.629 71 A CB -1.231 17.830 19.000 0.102 0.000 0.830 71 A HN 0.491 nan 8.150 nan 0.000 0.446 72 F N 0.561 120.518 119.950 0.012 0.000 2.087 72 F HA -0.243 4.283 4.527 -0.002 0.000 0.299 72 F C 1.935 177.729 175.800 -0.010 0.000 1.100 72 F CA 2.120 60.145 58.000 0.042 0.000 1.226 72 F CB -0.339 38.741 39.000 0.134 0.000 0.983 72 F HN 0.170 nan 8.300 nan 0.000 0.479 73 L N -0.003 121.100 121.223 -0.200 0.000 2.046 73 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 73 L C 2.692 179.437 176.870 -0.208 0.000 1.077 73 L CA 1.433 56.100 54.840 -0.288 0.000 0.747 73 L CB -0.783 41.037 42.059 -0.398 0.000 0.896 73 L HN 0.063 nan 8.230 nan 0.000 0.432 74 K N 0.479 120.793 120.400 -0.143 0.000 2.057 74 K HA -0.225 4.094 4.320 -0.002 0.000 0.207 74 K C 1.955 178.505 176.600 -0.085 0.000 1.049 74 K CA 1.565 57.798 56.287 -0.090 0.000 0.931 74 K CB -0.039 32.428 32.500 -0.054 0.000 0.714 74 K HN 0.338 nan 8.250 nan 0.000 0.440 75 E N -0.044 120.100 120.200 -0.093 0.000 2.072 75 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 75 E C 1.799 178.341 176.600 -0.096 0.000 0.985 75 E CA 0.883 57.238 56.400 -0.074 0.000 0.801 75 E CB 0.238 29.911 29.700 -0.045 0.000 0.750 75 E HN 0.238 nan 8.360 nan 0.000 0.452 76 Q N 0.053 119.728 119.800 -0.208 0.000 2.245 76 Q HA -0.083 4.256 4.340 -0.002 0.000 0.201 76 Q C 2.337 178.301 176.000 -0.059 0.000 0.955 76 Q CA 1.268 56.987 55.803 -0.140 0.000 0.870 76 Q CB 0.044 28.562 28.738 -0.366 0.000 0.945 76 Q HN 0.310 nan 8.270 nan 0.000 0.461 77 S N 0.793 116.429 115.700 -0.108 0.000 2.338 77 S HA -0.164 4.305 4.470 -0.002 0.000 0.218 77 S C 2.210 176.786 174.600 -0.039 0.000 1.032 77 S CA 1.961 60.116 58.200 -0.075 0.000 0.999 77 S CB -1.123 62.034 63.200 -0.073 0.000 0.905 77 S HN 0.477 nan 8.310 nan 0.000 0.439 78 T N 1.299 115.828 114.554 -0.042 0.000 2.699 78 T HA -0.081 4.268 4.350 -0.002 0.000 0.268 78 T C 1.759 176.432 174.700 -0.045 0.000 1.036 78 T CA 1.499 63.576 62.100 -0.039 0.000 1.147 78 T CB -0.860 67.986 68.868 -0.037 0.000 0.862 78 T HN 0.221 nan 8.240 nan 0.000 0.446 79 L N 1.580 122.782 121.223 -0.036 0.000 2.056 79 L HA 0.234 4.573 4.340 -0.002 0.000 0.207 79 L C 3.118 179.908 176.870 -0.135 0.000 1.078 79 L CA 1.612 56.404 54.840 -0.079 0.000 0.749 79 L CB -1.098 40.943 42.059 -0.029 0.000 0.901 79 L HN 0.401 nan 8.230 nan 0.000 0.433 80 A N -1.454 121.354 122.820 -0.021 0.000 1.978 80 A HA -0.281 4.038 4.320 -0.002 0.000 0.220 80 A C 2.234 179.855 177.584 0.062 0.000 1.170 80 A CA 1.539 53.608 52.037 0.053 0.000 0.636 80 A CB -0.491 18.604 19.000 0.159 0.000 0.810 80 A HN 0.411 nan 8.150 nan 0.000 0.448 81 Q N -0.397 119.403 119.800 0.000 0.000 2.112 81 Q HA -0.117 4.222 4.340 -0.002 0.000 0.206 81 Q C 1.882 177.858 176.000 -0.041 0.000 0.987 81 Q CA 1.893 57.685 55.803 -0.019 0.000 0.858 81 Q CB -0.480 28.234 28.738 -0.040 0.000 0.905 81 Q HN 0.737 nan 8.270 nan 0.000 0.420 82 M N -0.422 119.116 119.600 -0.104 0.000 2.763 82 M HA -0.090 4.389 4.480 -0.002 0.000 0.244 82 M C -0.614 175.460 176.300 -0.377 0.000 1.065 82 M CA 0.541 55.696 55.300 -0.241 0.000 1.070 82 M CB -0.031 32.365 32.600 -0.340 0.000 1.494 82 M HN 0.029 nan 8.290 nan 0.000 0.546 83 Y N 1.164 121.378 120.300 -0.142 0.000 2.334 83 Y HA 0.308 4.857 4.550 -0.002 0.000 0.336 83 Y C -2.003 173.858 175.900 -0.065 0.000 0.960 83 Y CA -2.870 55.166 58.100 -0.106 0.000 1.164 83 Y CB 0.826 39.221 38.460 -0.108 0.000 1.155 83 Y HN -0.031 nan 8.280 nan 0.000 0.478 84 P HA 0.049 nan 4.420 nan 0.000 0.271 84 P C 0.658 177.988 177.300 0.050 0.000 1.380 84 P CA 0.044 63.160 63.100 0.027 0.000 0.992 84 P CB 0.330 32.027 31.700 -0.006 0.000 1.230 85 L N 1.905 123.154 121.223 0.044 0.000 2.201 85 L HA -0.171 4.168 4.340 -0.002 0.000 0.212 85 L C 1.677 178.558 176.870 0.017 0.000 1.105 85 L CA 1.138 55.998 54.840 0.034 0.000 0.775 85 L CB -1.216 40.856 42.059 0.023 0.000 0.913 85 L HN 0.066 nan 8.230 nan 0.000 0.440 86 Q N 1.164 120.969 119.800 0.007 0.000 2.226 86 Q HA -0.146 4.193 4.340 -0.002 0.000 0.204 86 Q C 1.459 177.461 176.000 0.004 0.000 0.975 86 Q CA 1.437 57.240 55.803 0.000 0.000 0.866 86 Q CB -0.338 28.395 28.738 -0.008 0.000 0.915 86 Q HN 0.644 nan 8.270 nan 0.000 0.440 87 E N 0.522 120.728 120.200 0.011 0.000 2.320 87 E HA 0.190 4.539 4.350 -0.002 0.000 0.234 87 E C -0.925 175.690 176.600 0.025 0.000 1.290 87 E CA -0.139 56.270 56.400 0.014 0.000 1.545 87 E CB -0.068 29.638 29.700 0.011 0.000 1.379 87 E HN 0.257 nan 8.360 nan 0.000 0.437 88 I N 2.096 122.679 120.570 0.021 0.000 2.534 88 I HA 0.089 4.258 4.170 -0.002 0.000 0.288 88 I C -0.246 175.879 176.117 0.013 0.000 1.077 88 I CA -0.762 60.553 61.300 0.023 0.000 1.051 88 I CB 2.031 40.049 38.000 0.029 0.000 1.234 88 I HN 0.064 nan 8.210 nan 0.000 0.425 89 Q N 5.733 125.540 119.800 0.012 0.000 2.640 89 Q HA 0.298 4.636 4.340 -0.002 0.000 0.389 89 Q C -0.867 175.136 176.000 0.004 0.000 1.012 89 Q CA -0.148 55.658 55.803 0.006 0.000 1.060 89 Q CB 0.492 29.233 28.738 0.006 0.000 1.332 89 Q HN 0.716 nan 8.270 nan 0.000 0.418 90 N N 1.113 119.814 118.700 0.003 0.000 2.572 90 N HA 0.105 4.844 4.740 -0.002 0.000 0.287 90 N C -0.148 175.358 175.510 -0.006 0.000 1.136 90 N CA -0.245 52.804 53.050 -0.001 0.000 0.900 90 N CB 1.105 39.595 38.487 0.005 0.000 1.484 90 N HN -0.045 nan 8.380 nan 0.000 0.526 91 L N 2.479 123.694 121.223 -0.014 0.000 1.978 91 L HA -0.212 4.126 4.340 -0.002 0.000 0.218 91 L C 2.471 179.329 176.870 -0.021 0.000 1.075 91 L CA 2.062 56.889 54.840 -0.022 0.000 0.767 91 L CB -1.234 40.805 42.059 -0.033 0.000 0.890 91 L HN 0.651 nan 8.230 nan 0.000 0.434 92 T N -0.084 114.458 114.554 -0.019 0.000 2.516 92 T HA -0.265 4.084 4.350 -0.002 0.000 0.261 92 T C 1.940 176.632 174.700 -0.013 0.000 1.130 92 T CA 2.639 64.728 62.100 -0.018 0.000 1.193 92 T CB -0.918 67.943 68.868 -0.012 0.000 0.864 92 T HN 0.330 nan 8.240 nan 0.000 0.410 93 V N 1.242 121.152 119.914 -0.007 0.000 2.313 93 V HA -0.325 3.794 4.120 -0.002 0.000 0.253 93 V C 2.179 178.269 176.094 -0.008 0.000 1.070 93 V CA 2.114 64.411 62.300 -0.005 0.000 1.057 93 V CB -1.025 30.798 31.823 0.000 0.000 0.653 93 V HN 0.451 nan 8.190 nan 0.000 0.450 94 K N 0.250 120.647 120.400 -0.006 0.000 2.074 94 K HA -0.108 4.211 4.320 -0.002 0.000 0.209 94 K C 2.205 178.799 176.600 -0.011 0.000 1.048 94 K CA 2.048 58.332 56.287 -0.005 0.000 0.926 94 K CB -0.489 32.007 32.500 -0.005 0.000 0.713 94 K HN 0.488 nan 8.250 nan 0.000 0.444 95 L N 1.355 122.568 121.223 -0.016 0.000 1.961 95 L HA -0.273 4.066 4.340 -0.002 0.000 0.210 95 L C 2.732 179.589 176.870 -0.022 0.000 1.072 95 L CA 1.493 56.321 54.840 -0.021 0.000 0.749 95 L CB -0.636 41.405 42.059 -0.031 0.000 0.889 95 L HN 0.265 nan 8.230 nan 0.000 0.432 96 Q N -0.061 119.726 119.800 -0.020 0.000 2.029 96 Q HA -0.287 4.052 4.340 -0.002 0.000 0.209 96 Q C 2.344 178.309 176.000 -0.058 0.000 0.999 96 Q CA 1.783 57.572 55.803 -0.024 0.000 0.857 96 Q CB -0.657 28.075 28.738 -0.009 0.000 0.926 96 Q HN 0.481 nan 8.270 nan 0.000 0.415 97 L N 0.654 121.851 121.223 -0.044 0.000 1.990 97 L HA -0.290 4.049 4.340 -0.002 0.000 0.213 97 L C 2.862 179.714 176.870 -0.030 0.000 1.072 97 L CA 1.758 56.579 54.840 -0.032 0.000 0.755 97 L CB -0.489 41.572 42.059 0.003 0.000 0.889 97 L HN 0.387 nan 8.230 nan 0.000 0.432 98 Q N -0.597 119.192 119.800 -0.018 0.000 2.181 98 Q HA -0.250 4.089 4.340 -0.002 0.000 0.205 98 Q C 2.159 178.150 176.000 -0.015 0.000 0.980 98 Q CA 1.664 57.459 55.803 -0.012 0.000 0.862 98 Q CB -0.046 28.689 28.738 -0.006 0.000 0.905 98 Q HN 0.582 nan 8.270 nan 0.000 0.429 99 A N 0.368 123.173 122.820 -0.025 0.000 1.930 99 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 99 A C 1.953 179.511 177.584 -0.043 0.000 1.175 99 A CA 0.854 52.879 52.037 -0.021 0.000 0.627 99 A CB -0.437 18.555 19.000 -0.015 0.000 0.815 99 A HN 0.430 nan 8.150 nan 0.000 0.443 100 L N -0.806 120.357 121.223 -0.100 0.000 2.179 100 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 100 L C 1.107 177.930 176.870 -0.079 0.000 1.096 100 L CA 0.469 55.212 54.840 -0.160 0.000 0.779 100 L CB -0.207 41.675 42.059 -0.296 0.000 0.922 100 L HN 0.432 nan 8.230 nan 0.000 0.443 101 Q N 0.954 120.730 119.800 -0.040 0.000 2.962 101 Q HA 0.042 4.381 4.340 -0.002 0.000 0.251 101 Q C -0.667 175.333 176.000 -0.000 0.000 1.380 101 Q CA 0.079 55.872 55.803 -0.017 0.000 0.926 101 Q CB 0.152 28.884 28.738 -0.011 0.000 1.704 101 Q HN 0.198 nan 8.270 nan 0.000 0.563 102 Q N -0.243 119.559 119.800 0.003 0.000 2.413 102 Q HA 0.337 4.676 4.340 -0.002 0.000 0.276 102 Q C 0.056 176.076 176.000 0.034 0.000 1.099 102 Q CA -0.510 55.317 55.803 0.040 0.000 0.814 102 Q CB 1.391 30.157 28.738 0.047 0.000 1.379 102 Q HN 0.218 nan 8.270 nan 0.000 0.436 103 N N 0.224 118.962 118.700 0.064 0.000 2.463 103 N HA 0.139 4.878 4.740 -0.002 0.000 0.183 103 N C 0.476 176.005 175.510 0.032 0.000 1.064 103 N CA 0.881 53.954 53.050 0.039 0.000 0.879 103 N CB 0.562 39.076 38.487 0.045 0.000 1.148 103 N HN 0.769 nan 8.380 nan 0.000 0.451 104 G N 1.252 110.093 108.800 0.069 0.000 2.578 104 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.275 104 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.275 104 G C 0.921 175.812 174.900 -0.015 0.000 1.271 104 G CA 0.460 45.592 45.100 0.052 0.000 0.941 104 G HN 0.231 nan 8.290 nan 0.000 0.564 105 S N -0.232 115.448 115.700 -0.033 0.000 2.374 105 S HA -0.161 4.308 4.470 -0.002 0.000 0.227 105 S C 2.749 177.312 174.600 -0.062 0.000 1.037 105 S CA 2.091 60.249 58.200 -0.070 0.000 1.024 105 S CB -0.532 62.633 63.200 -0.057 0.000 0.861 105 S HN 0.842 nan 8.310 nan 0.000 0.456 106 S N 0.820 116.496 115.700 -0.040 0.000 2.389 106 S HA -0.172 4.297 4.470 -0.002 0.000 0.231 106 S C 1.874 176.450 174.600 -0.039 0.000 1.052 106 S CA 1.244 59.423 58.200 -0.035 0.000 1.053 106 S CB -0.756 62.428 63.200 -0.026 0.000 0.886 106 S HN 0.389 nan 8.310 nan 0.000 0.456 107 V N 1.508 121.400 119.914 -0.037 0.000 2.511 107 V HA -0.183 3.935 4.120 -0.002 0.000 0.257 107 V C 1.207 177.268 176.094 -0.056 0.000 1.088 107 V CA 1.432 63.710 62.300 -0.037 0.000 1.098 107 V CB -0.466 31.341 31.823 -0.027 0.000 0.674 107 V HN 0.308 nan 8.190 nan 0.000 0.470 108 L N -0.580 120.599 121.223 -0.073 0.000 2.776 108 L HA 0.250 4.589 4.340 -0.002 0.000 0.165 108 L C 0.980 177.813 176.870 -0.062 0.000 1.145 108 L CA 0.653 55.444 54.840 -0.081 0.000 1.230 108 L CB 0.025 42.022 42.059 -0.103 0.000 2.044 108 L HN 0.386 nan 8.230 nan 0.000 0.484 109 S N -2.018 113.644 115.700 -0.062 0.000 2.759 109 S HA 0.211 4.680 4.470 -0.002 0.000 0.310 109 S C 0.507 175.080 174.600 -0.045 0.000 1.123 109 S CA -0.452 57.718 58.200 -0.050 0.000 0.959 109 S CB 1.660 64.831 63.200 -0.049 0.000 1.172 109 S HN 0.524 nan 8.310 nan 0.000 0.539 110 E N 0.936 121.114 120.200 -0.037 0.000 2.049 110 E HA -0.219 4.130 4.350 -0.002 0.000 0.198 110 E C 0.970 177.550 176.600 -0.034 0.000 1.007 110 E CA 2.572 58.953 56.400 -0.031 0.000 0.809 110 E CB -0.651 29.034 29.700 -0.025 0.000 0.749 110 E HN 0.777 nan 8.360 nan 0.000 0.450 111 D N -0.401 119.977 120.400 -0.037 0.000 2.120 111 D HA -0.048 4.591 4.640 -0.002 0.000 0.202 111 D C 1.831 178.103 176.300 -0.048 0.000 0.972 111 D CA 1.104 55.081 54.000 -0.038 0.000 0.837 111 D CB -0.010 40.768 40.800 -0.037 0.000 0.989 111 D HN 0.120 nan 8.370 nan 0.000 0.469 112 K N 0.635 121.000 120.400 -0.058 0.000 1.991 112 K HA -0.101 4.218 4.320 -0.002 0.000 0.212 112 K C 2.247 178.799 176.600 -0.079 0.000 1.049 112 K CA 1.474 57.715 56.287 -0.076 0.000 0.932 112 K CB -0.232 32.215 32.500 -0.089 0.000 0.717 112 K HN -0.030 nan 8.250 nan 0.000 0.441 113 S N 1.094 116.750 115.700 -0.074 0.000 2.400 113 S HA -0.171 4.298 4.470 -0.002 0.000 0.232 113 S C 1.828 176.396 174.600 -0.053 0.000 1.025 113 S CA 1.181 59.340 58.200 -0.069 0.000 0.993 113 S CB -0.111 63.054 63.200 -0.058 0.000 0.808 113 S HN 0.274 nan 8.310 nan 0.000 0.478 114 K N 1.134 121.508 120.400 -0.043 0.000 2.007 114 K HA -0.076 4.243 4.320 -0.002 0.000 0.206 114 K C 2.400 178.980 176.600 -0.033 0.000 1.047 114 K CA 1.043 57.311 56.287 -0.032 0.000 0.937 114 K CB -0.126 32.358 32.500 -0.027 0.000 0.718 114 K HN 0.047 nan 8.250 nan 0.000 0.438 115 R N 1.424 121.900 120.500 -0.040 0.000 2.082 115 R HA -0.140 4.199 4.340 -0.002 0.000 0.234 115 R C 2.348 178.624 176.300 -0.039 0.000 1.136 115 R CA 1.531 57.609 56.100 -0.038 0.000 0.935 115 R CB -1.183 29.090 30.300 -0.045 0.000 0.842 115 R HN 0.273 nan 8.270 nan 0.000 0.430 116 L N 1.168 122.354 121.223 -0.062 0.000 2.010 116 L HA -0.275 4.064 4.340 -0.002 0.000 0.219 116 L C 1.416 178.266 176.870 -0.033 0.000 1.077 116 L CA 2.336 57.133 54.840 -0.071 0.000 0.773 116 L CB -1.000 40.983 42.059 -0.127 0.000 0.892 116 L HN 0.298 nan 8.230 nan 0.000 0.436 117 N N -1.426 117.255 118.700 -0.032 0.000 2.223 117 N HA -0.130 4.609 4.740 -0.002 0.000 0.185 117 N C 1.623 177.130 175.510 -0.006 0.000 1.016 117 N CA 1.612 54.654 53.050 -0.014 0.000 0.863 117 N CB -0.474 38.005 38.487 -0.014 0.000 0.983 117 N HN 0.472 nan 8.380 nan 0.000 0.429 118 T N 1.456 116.005 114.554 -0.009 0.000 2.737 118 T HA -0.018 4.331 4.350 -0.002 0.000 0.265 118 T C 1.829 176.532 174.700 0.004 0.000 1.038 118 T CA 0.682 62.780 62.100 -0.003 0.000 1.144 118 T CB -0.115 68.748 68.868 -0.008 0.000 0.866 118 T HN 0.102 nan 8.240 nan 0.000 0.434 119 I N 1.521 122.096 120.570 0.010 0.000 2.099 119 I HA -0.135 4.034 4.170 -0.002 0.000 0.239 119 I C 2.510 178.644 176.117 0.029 0.000 1.066 119 I CA 1.451 62.769 61.300 0.029 0.000 1.324 119 I CB -1.573 36.462 38.000 0.057 0.000 1.037 119 I HN 0.248 nan 8.210 nan 0.000 0.401 120 L N 0.645 121.891 121.223 0.037 0.000 2.021 120 L HA -0.278 4.061 4.340 -0.002 0.000 0.215 120 L C 2.445 179.311 176.870 -0.007 0.000 1.074 120 L CA 1.642 56.495 54.840 0.021 0.000 0.760 120 L CB -0.731 41.344 42.059 0.027 0.000 0.889 120 L HN 0.396 nan 8.230 nan 0.000 0.433 121 N N -1.002 117.699 118.700 0.002 0.000 2.216 121 N HA -0.101 4.638 4.740 -0.002 0.000 0.183 121 N C 1.775 177.293 175.510 0.013 0.000 1.017 121 N CA 1.758 54.811 53.050 0.006 0.000 0.861 121 N CB -0.154 38.337 38.487 0.006 0.000 0.986 121 N HN 0.374 nan 8.380 nan 0.000 0.428 122 T N 1.979 116.540 114.554 0.012 0.000 2.674 122 T HA -0.050 4.299 4.350 -0.002 0.000 0.265 122 T C 2.181 176.891 174.700 0.017 0.000 1.039 122 T CA 0.967 63.076 62.100 0.015 0.000 1.150 122 T CB -0.159 68.715 68.868 0.011 0.000 0.864 122 T HN 0.148 nan 8.240 nan 0.000 0.427 123 M N 1.303 120.906 119.600 0.006 0.000 2.073 123 M HA -0.156 4.323 4.480 -0.002 0.000 0.258 123 M C 2.742 179.050 176.300 0.013 0.000 1.070 123 M CA 1.573 56.873 55.300 -0.000 0.000 1.103 123 M CB -0.646 31.933 32.600 -0.035 0.000 1.321 123 M HN 0.249 nan 8.290 nan 0.000 0.405 124 S N -0.585 115.104 115.700 -0.018 0.000 2.420 124 S HA -0.143 4.326 4.470 -0.002 0.000 0.237 124 S C 1.670 176.329 174.600 0.098 0.000 1.023 124 S CA 1.913 60.107 58.200 -0.010 0.000 0.991 124 S CB -0.260 62.918 63.200 -0.037 0.000 0.792 124 S HN 0.513 nan 8.310 nan 0.000 0.488 125 T N 1.665 116.273 114.554 0.089 0.000 2.939 125 T HA 0.211 4.559 4.350 -0.002 0.000 0.254 125 T C 1.715 176.485 174.700 0.117 0.000 1.041 125 T CA 0.943 63.110 62.100 0.111 0.000 1.142 125 T CB -0.253 68.661 68.868 0.076 0.000 0.874 125 T HN 0.379 nan 8.240 nan 0.000 0.452 126 I N 0.417 121.035 120.570 0.080 0.000 2.151 126 I HA -0.237 3.932 4.170 -0.002 0.000 0.243 126 I C 2.282 178.444 176.117 0.075 0.000 1.080 126 I CA 1.681 63.005 61.300 0.040 0.000 1.339 126 I CB -0.435 37.559 38.000 -0.011 0.000 1.039 126 I HN 0.190 nan 8.210 nan 0.000 0.409 127 Y N 1.935 122.257 120.300 0.038 0.000 2.114 127 Y HA -0.324 4.225 4.550 -0.002 0.000 0.284 127 Y C 2.898 178.986 175.900 0.314 0.000 1.143 127 Y CA 2.014 60.211 58.100 0.162 0.000 1.135 127 Y CB -0.335 38.225 38.460 0.168 0.000 0.980 127 Y HN 0.251 nan 8.280 nan 0.000 0.499 128 S N -2.957 113.030 115.700 0.478 0.000 2.481 128 S HA -0.101 4.367 4.470 -0.002 0.000 0.231 128 S C 1.799 176.556 174.600 0.261 0.000 0.996 128 S CA 1.293 59.745 58.200 0.420 0.000 0.942 128 S CB -0.407 63.019 63.200 0.377 0.000 0.768 128 S HN 0.472 nan 8.310 nan 0.000 0.520 129 T N 0.784 115.455 114.554 0.195 0.000 2.971 129 T HA 0.374 4.723 4.350 -0.002 0.000 0.252 129 T C 0.876 175.639 174.700 0.104 0.000 1.022 129 T CA 0.292 62.473 62.100 0.135 0.000 0.980 129 T CB -0.363 68.568 68.868 0.105 0.000 1.044 129 T HN 0.542 nan 8.240 nan 0.000 0.501 130 G N 2.526 111.378 108.800 0.087 0.000 2.484 130 G HA2 0.412 4.371 3.960 -0.002 0.000 0.235 130 G HA3 0.412 4.371 3.960 -0.002 0.000 0.235 130 G C -0.655 174.330 174.900 0.142 0.000 1.282 130 G CA -0.146 44.969 45.100 0.025 0.000 0.857 130 G HN 0.587 nan 8.290 nan 0.000 0.571 131 K N -0.351 120.099 120.400 0.084 0.000 2.527 131 K HA 0.622 4.941 4.320 -0.002 0.000 0.260 131 K C -1.012 175.629 176.600 0.067 0.000 0.937 131 K CA -1.036 55.318 56.287 0.111 0.000 0.826 131 K CB 2.138 34.689 32.500 0.086 0.000 1.359 131 K HN 0.559 nan 8.250 nan 0.000 0.434 132 V N -1.716 118.240 119.914 0.070 0.000 2.581 132 V HA 0.681 4.800 4.120 -0.002 0.000 0.303 132 V C -0.536 175.640 176.094 0.137 0.000 1.041 132 V CA -0.621 61.703 62.300 0.041 0.000 0.907 132 V CB 1.137 32.897 31.823 -0.106 0.000 0.994 132 V HN 0.942 nan 8.190 nan 0.000 0.442 133 c N 4.071 122.785 118.600 0.190 0.000 2.417 133 c HA 0.479 5.048 4.570 -0.002 0.000 0.324 133 c C 0.448 174.753 174.090 0.358 0.000 1.240 133 c CA -0.644 55.826 56.329 0.236 0.000 1.632 133 c CB 0.843 43.434 42.510 0.135 0.000 2.241 133 c HN 1.011 nan 8.230 nan 0.000 0.499 134 N N 2.751 121.640 118.700 0.316 0.000 2.365 134 N HA -0.006 4.733 4.740 -0.002 0.000 0.265 134 N C -1.478 174.068 175.510 0.060 0.000 1.288 134 N CA -0.537 52.581 53.050 0.113 0.000 0.869 134 N CB 1.063 39.494 38.487 -0.095 0.000 1.071 134 N HN 0.388 nan 8.380 nan 0.000 0.480 135 P HA -0.160 nan 4.420 nan 0.000 0.214 135 P C -0.198 177.095 177.300 -0.012 0.000 1.163 135 P CA 1.598 64.725 63.100 0.044 0.000 0.889 135 P CB 0.000 31.723 31.700 0.038 0.000 0.790 136 D N -2.371 117.985 120.400 -0.072 0.000 2.881 136 D HA 0.146 4.785 4.640 -0.002 0.000 0.240 136 D C -0.081 176.182 176.300 -0.062 0.000 1.249 136 D CA -0.368 53.595 54.000 -0.062 0.000 0.839 136 D CB -1.194 39.561 40.800 -0.074 0.000 1.042 136 D HN 0.001 nan 8.370 nan 0.000 0.475 137 N N -0.045 118.632 118.700 -0.038 0.000 3.161 137 N HA 0.104 4.843 4.740 -0.002 0.000 0.174 137 N C -2.494 173.024 175.510 0.015 0.000 1.308 137 N CA -0.897 52.141 53.050 -0.021 0.000 1.294 137 N CB 0.605 39.066 38.487 -0.044 0.000 1.642 137 N HN -0.143 nan 8.380 nan 0.000 0.624 138 P HA -0.107 nan 4.420 nan 0.000 0.236 138 P C 0.824 178.147 177.300 0.038 0.000 1.172 138 P CA 0.959 64.082 63.100 0.038 0.000 0.759 138 P CB 0.196 31.913 31.700 0.028 0.000 0.843 139 Q N -0.746 119.073 119.800 0.032 0.000 2.107 139 Q HA 0.027 4.366 4.340 -0.002 0.000 0.195 139 Q C 0.961 176.987 176.000 0.043 0.000 0.964 139 Q CA 0.385 56.207 55.803 0.032 0.000 0.833 139 Q CB -0.514 28.237 28.738 0.022 0.000 0.910 139 Q HN 0.117 nan 8.270 nan 0.000 0.465 140 E N 0.545 120.773 120.200 0.047 0.000 2.229 140 E HA 0.279 4.628 4.350 -0.002 0.000 0.283 140 E C -1.287 175.372 176.600 0.099 0.000 1.030 140 E CA -0.680 55.758 56.400 0.063 0.000 0.836 140 E CB 0.866 30.599 29.700 0.054 0.000 1.068 140 E HN 0.403 nan 8.360 nan 0.000 0.401 141 c N 4.211 122.871 118.600 0.101 0.000 2.667 141 c HA 0.632 5.200 4.570 -0.002 0.000 0.323 141 c C -0.401 173.760 174.090 0.118 0.000 1.214 141 c CA -0.827 55.577 56.329 0.125 0.000 1.721 141 c CB 0.599 43.166 42.510 0.095 0.000 2.275 141 c HN 0.677 nan 8.230 nan 0.000 0.491 142 L N 1.610 122.906 121.223 0.122 0.000 2.354 142 L HA 0.614 4.952 4.340 -0.002 0.000 0.269 142 L C -0.872 176.026 176.870 0.048 0.000 1.005 142 L CA -0.624 54.265 54.840 0.082 0.000 0.819 142 L CB 1.312 43.426 42.059 0.093 0.000 1.311 142 L HN 0.352 nan 8.230 nan 0.000 0.423 143 L N 1.277 122.514 121.223 0.023 0.000 2.334 143 L HA 0.286 4.625 4.340 -0.002 0.000 0.275 143 L C 0.730 177.539 176.870 -0.103 0.000 1.036 143 L CA -0.048 54.801 54.840 0.016 0.000 0.807 143 L CB 1.531 43.610 42.059 0.034 0.000 1.231 143 L HN 0.514 nan 8.230 nan 0.000 0.438 144 L N 1.634 122.722 121.223 -0.226 0.000 2.051 144 L HA -0.133 4.206 4.340 -0.002 0.000 0.214 144 L C 0.472 177.149 176.870 -0.322 0.000 1.076 144 L CA 1.756 56.231 54.840 -0.608 0.000 0.758 144 L CB -0.222 41.214 42.059 -1.039 0.000 0.890 144 L HN 0.758 nan 8.230 nan 0.000 0.433 145 E N -1.463 118.651 120.200 -0.143 0.000 2.218 145 E HA 0.367 4.716 4.350 -0.002 0.000 0.263 145 E C -2.154 174.430 176.600 -0.025 0.000 0.879 145 E CA -2.117 54.242 56.400 -0.067 0.000 0.762 145 E CB 1.459 31.147 29.700 -0.019 0.000 1.166 145 E HN 0.051 nan 8.360 nan 0.000 0.415 146 P HA 0.265 nan 4.420 nan 0.000 0.194 146 P C 0.905 178.177 177.300 -0.048 0.000 1.105 146 P CA 0.914 63.997 63.100 -0.029 0.000 0.797 146 P CB -0.285 31.412 31.700 -0.005 0.000 0.687 147 G N 0.112 108.902 108.800 -0.017 0.000 3.344 147 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.370 147 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.370 147 G C 1.294 176.174 174.900 -0.034 0.000 1.646 147 G CA 1.529 46.627 45.100 -0.004 0.000 1.686 147 G HN 0.357 nan 8.290 nan 0.000 0.823 148 L N 1.357 122.515 121.223 -0.107 0.000 1.970 148 L HA -0.017 4.322 4.340 -0.002 0.000 0.212 148 L C 2.645 179.393 176.870 -0.204 0.000 1.071 148 L CA 2.777 57.498 54.840 -0.199 0.000 0.751 148 L CB -1.118 40.721 42.059 -0.368 0.000 0.889 148 L HN 0.620 nan 8.230 nan 0.000 0.432 149 N N -1.246 117.319 118.700 -0.225 0.000 2.137 149 N HA -0.233 4.506 4.740 -0.002 0.000 0.190 149 N C 1.758 177.221 175.510 -0.077 0.000 1.017 149 N CA 0.943 53.892 53.050 -0.168 0.000 0.859 149 N CB -0.022 38.394 38.487 -0.119 0.000 1.002 149 N HN 0.359 nan 8.380 nan 0.000 0.428 150 E N 1.130 121.301 120.200 -0.048 0.000 2.106 150 E HA -0.123 4.226 4.350 -0.002 0.000 0.192 150 E C 1.993 178.596 176.600 0.005 0.000 0.984 150 E CA 0.646 57.041 56.400 -0.009 0.000 0.806 150 E CB 0.011 29.714 29.700 0.005 0.000 0.750 150 E HN 0.419 nan 8.360 nan 0.000 0.458 151 I N 0.654 121.226 120.570 0.003 0.000 2.142 151 I HA -0.296 3.873 4.170 -0.002 0.000 0.240 151 I C 2.311 178.438 176.117 0.017 0.000 1.078 151 I CA 0.891 62.211 61.300 0.033 0.000 1.343 151 I CB -0.252 37.787 38.000 0.066 0.000 1.046 151 I HN 0.131 nan 8.210 nan 0.000 0.405 152 M N 0.121 119.706 119.600 -0.025 0.000 2.446 152 M HA -0.091 4.388 4.480 -0.002 0.000 0.263 152 M C 2.059 178.363 176.300 0.007 0.000 1.066 152 M CA 1.148 56.434 55.300 -0.024 0.000 1.087 152 M CB -1.327 31.221 32.600 -0.088 0.000 1.406 152 M HN 0.289 nan 8.290 nan 0.000 0.459 153 A N -0.814 122.014 122.820 0.014 0.000 2.252 153 A HA 0.140 4.459 4.320 -0.002 0.000 0.213 153 A C 1.535 179.143 177.584 0.040 0.000 1.188 153 A CA 0.557 52.615 52.037 0.036 0.000 0.863 153 A CB -0.150 18.872 19.000 0.036 0.000 0.893 153 A HN 0.533 nan 8.150 nan 0.000 0.495 154 N N -1.768 116.955 118.700 0.038 0.000 2.249 154 N HA 0.070 4.809 4.740 -0.002 0.000 0.239 154 N C 0.415 175.953 175.510 0.047 0.000 1.185 154 N CA 0.421 53.495 53.050 0.039 0.000 0.825 154 N CB 0.495 39.003 38.487 0.034 0.000 1.372 154 N HN 0.157 nan 8.380 nan 0.000 0.472 155 S N 1.151 116.885 115.700 0.057 0.000 2.552 155 S HA 0.047 4.516 4.470 -0.002 0.000 0.289 155 S C 0.661 175.325 174.600 0.107 0.000 1.304 155 S CA -0.085 58.160 58.200 0.074 0.000 1.063 155 S CB 0.217 63.465 63.200 0.079 0.000 0.848 155 S HN 0.129 nan 8.310 nan 0.000 0.499 156 L N 3.755 125.046 121.223 0.113 0.000 2.667 156 L HA 0.369 4.708 4.340 -0.002 0.000 0.232 156 L C 0.769 177.813 176.870 0.289 0.000 1.138 156 L CA 0.521 55.463 54.840 0.170 0.000 0.921 156 L CB -0.648 41.437 42.059 0.043 0.000 1.180 156 L HN 0.721 nan 8.230 nan 0.000 0.487 157 D N -1.108 119.406 120.400 0.191 0.000 2.313 157 D HA -0.054 4.585 4.640 -0.002 0.000 0.239 157 D C 0.899 177.257 176.300 0.096 0.000 1.142 157 D CA -0.296 53.800 54.000 0.160 0.000 0.847 157 D CB 1.508 42.370 40.800 0.104 0.000 1.082 157 D HN 0.114 nan 8.370 nan 0.000 0.480 158 Y N 5.495 125.733 120.300 -0.103 0.000 2.114 158 Y HA -0.296 4.253 4.550 -0.002 0.000 0.282 158 Y C 1.818 177.631 175.900 -0.145 0.000 1.165 158 Y CA 1.863 59.748 58.100 -0.359 0.000 1.148 158 Y CB 0.094 38.062 38.460 -0.820 0.000 0.972 158 Y HN 0.482 nan 8.280 nan 0.000 0.504 159 N N 0.170 118.918 118.700 0.079 0.000 2.142 159 N HA -0.201 4.538 4.740 -0.002 0.000 0.186 159 N C 1.914 177.461 175.510 0.062 0.000 1.023 159 N CA 1.507 54.592 53.050 0.058 0.000 0.852 159 N CB -0.516 38.042 38.487 0.118 0.000 0.998 159 N HN 0.594 nan 8.380 nan 0.000 0.424 160 E N 1.536 121.787 120.200 0.085 0.000 2.085 160 E HA -0.163 4.186 4.350 -0.002 0.000 0.194 160 E C 1.804 178.534 176.600 0.217 0.000 0.994 160 E CA 1.034 57.534 56.400 0.167 0.000 0.801 160 E CB 0.137 29.908 29.700 0.119 0.000 0.743 160 E HN 0.312 nan 8.360 nan 0.000 0.453 161 R N -0.073 120.476 120.500 0.082 0.000 2.090 161 R HA -0.078 4.261 4.340 -0.002 0.000 0.228 161 R C 2.551 178.873 176.300 0.037 0.000 1.110 161 R CA 0.885 57.022 56.100 0.062 0.000 0.973 161 R CB -0.366 29.924 30.300 -0.016 0.000 0.869 161 R HN 0.209 nan 8.270 nan 0.000 0.440 162 L N 0.440 121.565 121.223 -0.162 0.000 1.994 162 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 162 L C 2.062 178.918 176.870 -0.023 0.000 1.071 162 L CA 1.663 56.236 54.840 -0.446 0.000 0.745 162 L CB -0.715 41.001 42.059 -0.570 0.000 0.892 162 L HN 0.213 nan 8.230 nan 0.000 0.431 163 W N 0.755 122.008 121.300 -0.078 0.000 2.277 163 W HA -0.330 4.329 4.660 -0.002 0.000 0.330 163 W C 2.444 179.002 176.519 0.065 0.000 1.263 163 W CA 3.115 60.463 57.345 0.006 0.000 1.211 163 W CB -1.257 28.206 29.460 0.004 0.000 1.167 163 W HN 0.332 nan 8.180 nan 0.000 0.459 164 A N 0.270 122.982 122.820 -0.180 0.000 1.870 164 A HA -0.367 3.952 4.320 -0.002 0.000 0.219 164 A C 1.881 179.355 177.584 -0.183 0.000 1.286 164 A CA 2.632 54.415 52.037 -0.423 0.000 0.682 164 A CB -2.100 16.793 19.000 -0.179 0.000 0.844 164 A HN 0.777 nan 8.150 nan 0.000 0.460 165 W N 0.508 121.692 121.300 -0.193 0.000 2.277 165 W HA -0.350 4.309 4.660 -0.002 0.000 0.327 165 W C 2.253 178.755 176.519 -0.030 0.000 1.284 165 W CA 3.125 60.409 57.345 -0.102 0.000 1.277 165 W CB -0.178 29.249 29.460 -0.056 0.000 1.141 165 W HN 0.543 nan 8.180 nan 0.000 0.482 166 E N 0.000 120.419 120.200 0.365 0.000 2.046 166 E HA -0.149 4.200 4.350 -0.002 0.000 0.190 166 E C 2.161 178.783 176.600 0.037 0.000 0.982 166 E CA 2.419 58.993 56.400 0.290 0.000 0.800 166 E CB -0.784 29.095 29.700 0.298 0.000 0.756 166 E HN 0.221 nan 8.360 nan 0.000 0.449 167 S N 0.658 116.287 115.700 -0.117 0.000 2.359 167 S HA -0.197 4.272 4.470 -0.002 0.000 0.223 167 S C 1.667 176.189 174.600 -0.130 0.000 1.039 167 S CA 1.277 59.363 58.200 -0.191 0.000 1.042 167 S CB -0.994 61.898 63.200 -0.512 0.000 0.915 167 S HN 0.559 nan 8.310 nan 0.000 0.439 168 W N 2.574 123.672 121.300 -0.336 0.000 2.342 168 W HA -0.110 4.549 4.660 -0.002 0.000 0.297 168 W C 2.032 178.400 176.519 -0.252 0.000 1.213 168 W CA 1.263 58.421 57.345 -0.312 0.000 1.251 168 W CB -0.180 29.050 29.460 -0.385 0.000 1.136 168 W HN 0.278 nan 8.180 nan 0.000 0.526 169 R N -0.444 119.918 120.500 -0.230 0.000 2.210 169 R HA -0.067 4.272 4.340 -0.002 0.000 0.203 169 R C 2.580 178.826 176.300 -0.091 0.000 1.010 169 R CA 1.155 57.115 56.100 -0.234 0.000 1.008 169 R CB -0.381 29.766 30.300 -0.255 0.000 0.923 169 R HN -0.034 nan 8.270 nan 0.000 0.469 170 S N 0.294 115.965 115.700 -0.048 0.000 2.395 170 S HA -0.056 4.413 4.470 -0.002 0.000 0.225 170 S C 1.331 175.799 174.600 -0.220 0.000 1.027 170 S CA 0.872 59.027 58.200 -0.076 0.000 0.965 170 S CB 0.213 63.422 63.200 0.015 0.000 0.812 170 S HN 0.148 nan 8.310 nan 0.000 0.482 171 E N 1.229 121.284 120.200 -0.241 0.000 2.226 171 E HA 0.040 4.389 4.350 -0.002 0.000 0.238 171 E C 2.400 178.790 176.600 -0.350 0.000 0.859 171 E CA 1.220 57.463 56.400 -0.262 0.000 1.114 171 E CB -1.485 28.078 29.700 -0.229 0.000 1.184 171 E HN 0.376 nan 8.360 nan 0.000 0.517 172 V N 0.293 119.893 119.914 -0.523 0.000 2.527 172 V HA -0.173 3.946 4.120 -0.002 0.000 0.255 172 V C 1.905 177.723 176.094 -0.460 0.000 1.081 172 V CA 2.666 64.619 62.300 -0.578 0.000 1.092 172 V CB -1.389 29.818 31.823 -1.028 0.000 0.673 172 V HN 0.319 nan 8.190 nan 0.000 0.470 173 G N -0.051 108.468 108.800 -0.468 0.000 2.414 173 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.215 173 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.215 173 G C 1.610 176.370 174.900 -0.234 0.000 1.188 173 G CA 0.880 45.793 45.100 -0.312 0.000 0.783 173 G HN 0.549 nan 8.290 nan 0.000 0.537 174 K N 0.176 120.407 120.400 -0.281 0.000 2.032 174 K HA -0.129 4.190 4.320 -0.002 0.000 0.209 174 K C 2.769 179.261 176.600 -0.179 0.000 1.048 174 K CA 1.495 57.615 56.287 -0.278 0.000 0.927 174 K CB -0.226 32.060 32.500 -0.358 0.000 0.712 174 K HN 0.358 nan 8.250 nan 0.000 0.441 175 Q N 0.583 120.278 119.800 -0.175 0.000 2.112 175 Q HA -0.170 4.169 4.340 -0.002 0.000 0.206 175 Q C 2.078 178.032 176.000 -0.075 0.000 0.987 175 Q CA 1.442 57.173 55.803 -0.121 0.000 0.858 175 Q CB -0.205 28.457 28.738 -0.127 0.000 0.905 175 Q HN 0.306 nan 8.270 nan 0.000 0.420 176 L N 0.068 121.243 121.223 -0.080 0.000 2.395 176 L HA -0.078 4.261 4.340 -0.002 0.000 0.218 176 L C 2.353 179.264 176.870 0.067 0.000 1.130 176 L CA 0.199 55.031 54.840 -0.014 0.000 0.826 176 L CB -0.233 41.799 42.059 -0.044 0.000 0.941 176 L HN 0.094 nan 8.230 nan 0.000 0.451 177 R N 1.152 121.676 120.500 0.039 0.000 2.094 177 R HA -0.160 4.179 4.340 -0.002 0.000 0.239 177 R C -0.594 175.793 176.300 0.145 0.000 1.137 177 R CA 2.065 58.240 56.100 0.125 0.000 0.943 177 R CB -1.713 28.616 30.300 0.050 0.000 0.850 177 R HN 0.164 nan 8.270 nan 0.000 0.433 178 P HA -0.125 nan 4.420 nan 0.000 0.213 178 P C 1.280 178.623 177.300 0.071 0.000 1.170 178 P CA 1.349 64.467 63.100 0.030 0.000 0.902 178 P CB -0.131 31.567 31.700 -0.002 0.000 0.789 179 L N -2.577 118.695 121.223 0.082 0.000 2.042 179 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 179 L C 2.609 179.584 176.870 0.175 0.000 1.076 179 L CA 1.786 56.684 54.840 0.097 0.000 0.749 179 L CB -1.753 40.350 42.059 0.073 0.000 0.893 179 L HN -0.067 nan 8.230 nan 0.000 0.432 180 Y N 0.539 120.924 120.300 0.141 0.000 2.224 180 Y HA -0.230 4.319 4.550 -0.002 0.000 0.289 180 Y C 2.535 178.706 175.900 0.452 0.000 1.146 180 Y CA 1.566 59.817 58.100 0.251 0.000 1.182 180 Y CB -0.083 38.508 38.460 0.218 0.000 0.983 180 Y HN 0.264 nan 8.280 nan 0.000 0.524 181 E N -0.303 120.140 120.200 0.405 0.000 2.085 181 E HA -0.276 4.073 4.350 -0.002 0.000 0.194 181 E C 2.095 178.753 176.600 0.096 0.000 0.994 181 E CA 1.510 58.028 56.400 0.197 0.000 0.801 181 E CB -0.126 29.519 29.700 -0.091 0.000 0.743 181 E HN 0.583 nan 8.360 nan 0.000 0.453 182 E N -0.149 120.088 120.200 0.063 0.000 2.112 182 E HA -0.176 4.173 4.350 -0.002 0.000 0.190 182 E C 1.925 178.514 176.600 -0.019 0.000 0.979 182 E CA 0.397 56.800 56.400 0.005 0.000 0.814 182 E CB -0.090 29.610 29.700 -0.001 0.000 0.762 182 E HN 0.291 nan 8.360 nan 0.000 0.460 183 Y N 0.819 121.040 120.300 -0.132 0.000 2.151 183 Y HA -0.296 4.253 4.550 -0.002 0.000 0.284 183 Y C 1.913 177.658 175.900 -0.259 0.000 1.166 183 Y CA 1.832 59.798 58.100 -0.224 0.000 1.163 183 Y CB -0.349 37.925 38.460 -0.310 0.000 0.974 183 Y HN -0.104 nan 8.280 nan 0.000 0.511 184 V N -0.552 119.262 119.914 -0.166 0.000 2.295 184 V HA -0.320 3.799 4.120 -0.002 0.000 0.246 184 V C 2.367 178.351 176.094 -0.184 0.000 1.049 184 V CA 1.676 63.902 62.300 -0.123 0.000 1.024 184 V CB -0.962 30.988 31.823 0.213 0.000 0.648 184 V HN 0.401 nan 8.190 nan 0.000 0.447 185 V N 0.051 119.891 119.914 -0.124 0.000 2.220 185 V HA -0.284 3.835 4.120 -0.002 0.000 0.246 185 V C 2.333 178.295 176.094 -0.220 0.000 1.049 185 V CA 2.355 64.575 62.300 -0.133 0.000 1.003 185 V CB -0.682 31.085 31.823 -0.093 0.000 0.634 185 V HN 0.428 nan 8.190 nan 0.000 0.444 186 L N -0.514 120.562 121.223 -0.246 0.000 2.079 186 L HA -0.224 4.115 4.340 -0.002 0.000 0.210 186 L C 2.552 179.176 176.870 -0.410 0.000 1.081 186 L CA 1.758 56.433 54.840 -0.275 0.000 0.752 186 L CB -0.588 41.330 42.059 -0.234 0.000 0.896 186 L HN 0.268 nan 8.230 nan 0.000 0.433 187 K N -0.058 119.972 120.400 -0.617 0.000 2.217 187 K HA -0.083 4.236 4.320 -0.002 0.000 0.202 187 K C 1.968 178.096 176.600 -0.787 0.000 1.051 187 K CA 0.769 56.494 56.287 -0.936 0.000 0.952 187 K CB 0.020 31.579 32.500 -1.569 0.000 0.736 187 K HN 0.216 nan 8.250 nan 0.000 0.453 188 N N 0.701 119.087 118.700 -0.523 0.000 2.106 188 N HA -0.132 4.607 4.740 -0.002 0.000 0.188 188 N C 1.411 176.766 175.510 -0.258 0.000 1.029 188 N CA 1.190 54.040 53.050 -0.334 0.000 0.848 188 N CB -0.025 38.350 38.487 -0.186 0.000 1.007 188 N HN 0.303 nan 8.380 nan 0.000 0.423 189 E N 0.836 120.897 120.200 -0.232 0.000 2.048 189 E HA -0.247 4.102 4.350 -0.002 0.000 0.202 189 E C 1.989 178.468 176.600 -0.202 0.000 1.021 189 E CA 1.110 57.400 56.400 -0.185 0.000 0.825 189 E CB -0.174 29.426 29.700 -0.168 0.000 0.756 189 E HN 0.217 nan 8.360 nan 0.000 0.454 190 M N 0.944 120.381 119.600 -0.271 0.000 2.151 190 M HA -0.284 4.195 4.480 -0.002 0.000 0.256 190 M C 2.307 178.448 176.300 -0.265 0.000 1.072 190 M CA 2.294 57.421 55.300 -0.289 0.000 1.090 190 M CB -0.789 31.561 32.600 -0.417 0.000 1.294 190 M HN 0.161 nan 8.290 nan 0.000 0.415 191 A N 0.319 122.940 122.820 -0.332 0.000 1.865 191 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 191 A C 2.182 179.782 177.584 0.028 0.000 1.191 191 A CA 2.207 54.120 52.037 -0.207 0.000 0.623 191 A CB -0.791 18.076 19.000 -0.221 0.000 0.826 191 A HN 0.659 nan 8.150 nan 0.000 0.444 192 R N -0.704 119.767 120.500 -0.048 0.000 2.096 192 R HA -0.091 4.248 4.340 -0.002 0.000 0.235 192 R C 2.392 178.630 176.300 -0.103 0.000 1.127 192 R CA 1.150 57.222 56.100 -0.046 0.000 0.968 192 R CB -0.498 29.753 30.300 -0.081 0.000 0.861 192 R HN 0.529 nan 8.270 nan 0.000 0.440 193 A N 1.216 123.975 122.820 -0.102 0.000 2.070 193 A HA -0.155 4.163 4.320 -0.002 0.000 0.220 193 A C 1.214 178.779 177.584 -0.032 0.000 1.159 193 A CA 1.482 53.454 52.037 -0.109 0.000 0.656 193 A CB -0.341 18.608 19.000 -0.085 0.000 0.800 193 A HN 0.346 nan 8.150 nan 0.000 0.453 194 N N -1.275 117.471 118.700 0.078 0.000 2.268 194 N HA 0.240 4.979 4.740 -0.002 0.000 0.204 194 N C -0.733 174.891 175.510 0.190 0.000 1.124 194 N CA 0.074 53.265 53.050 0.236 0.000 0.838 194 N CB 0.132 38.829 38.487 0.351 0.000 0.994 194 N HN 0.549 nan 8.380 nan 0.000 0.489 195 H N -2.153 116.843 119.070 -0.123 0.000 3.004 195 H HA -0.169 4.386 4.556 -0.002 0.000 0.311 195 H C -1.267 173.828 175.328 -0.387 0.000 1.311 195 H CA 0.384 56.297 56.048 -0.226 0.000 1.182 195 H CB -2.432 27.185 29.762 -0.242 0.000 1.400 195 H HN 0.261 nan 8.280 nan 0.000 0.432 196 Y N -0.823 119.520 120.300 0.071 0.000 2.562 196 Y HA 0.332 4.882 4.550 -0.002 0.000 0.343 196 Y C 1.702 177.603 175.900 0.003 0.000 1.025 196 Y CA -0.966 57.171 58.100 0.061 0.000 1.082 196 Y CB 1.174 39.698 38.460 0.107 0.000 1.264 196 Y HN 0.127 nan 8.280 nan 0.000 0.478 197 E N 0.715 121.029 120.200 0.189 0.000 2.047 197 E HA -0.070 4.279 4.350 -0.002 0.000 0.191 197 E C -0.512 176.121 176.600 0.055 0.000 0.987 197 E CA 1.510 57.960 56.400 0.082 0.000 0.799 197 E CB 0.197 29.935 29.700 0.062 0.000 0.752 197 E HN 0.711 nan 8.360 nan 0.000 0.449 198 D N -2.473 117.960 120.400 0.055 0.000 2.692 198 D HA -0.061 4.578 4.640 -0.002 0.000 0.290 198 D C 0.136 176.369 176.300 -0.111 0.000 1.281 198 D CA -0.638 53.350 54.000 -0.020 0.000 0.804 198 D CB 0.189 41.008 40.800 0.031 0.000 1.331 198 D HN -0.157 nan 8.370 nan 0.000 0.432 199 Y N 1.070 121.054 120.300 -0.527 0.000 2.241 199 Y HA -0.056 4.493 4.550 -0.002 0.000 0.286 199 Y C 2.216 177.671 175.900 -0.742 0.000 1.166 199 Y CA 2.349 59.920 58.100 -0.882 0.000 1.203 199 Y CB -0.655 36.903 38.460 -1.503 0.000 0.977 199 Y HN 0.626 nan 8.280 nan 0.000 0.529 200 G N -0.436 108.120 108.800 -0.407 0.000 2.433 200 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.216 200 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.216 200 G C 1.460 176.310 174.900 -0.083 0.000 1.186 200 G CA 1.088 46.223 45.100 0.058 0.000 0.779 200 G HN 0.421 nan 8.290 nan 0.000 0.543 201 D N -0.780 119.563 120.400 -0.094 0.000 2.133 201 D HA -0.210 4.429 4.640 -0.002 0.000 0.192 201 D C 1.992 178.206 176.300 -0.144 0.000 1.001 201 D CA 1.071 55.041 54.000 -0.051 0.000 0.844 201 D CB -0.321 40.535 40.800 0.093 0.000 0.944 201 D HN 0.295 nan 8.370 nan 0.000 0.447 202 Y N 0.012 120.002 120.300 -0.517 0.000 2.014 202 Y HA -0.281 4.268 4.550 -0.002 0.000 0.272 202 Y C 2.116 177.817 175.900 -0.332 0.000 1.164 202 Y CA 2.133 59.739 58.100 -0.824 0.000 1.114 202 Y CB -0.697 37.367 38.460 -0.660 0.000 0.961 202 Y HN 0.125 nan 8.280 nan 0.000 0.489 203 W N 0.694 121.843 121.300 -0.253 0.000 2.315 203 W HA -0.196 4.463 4.660 -0.001 0.000 0.323 203 W C 2.587 179.093 176.519 -0.023 0.000 1.233 203 W CA 1.959 59.210 57.345 -0.156 0.000 1.267 203 W CB -1.305 28.144 29.460 -0.019 0.000 1.160 203 W HN 0.119 nan 8.180 nan 0.000 0.474 204 R N -0.208 120.452 120.500 0.267 0.000 2.276 204 R HA -0.159 4.180 4.340 -0.002 0.000 0.243 204 R C 2.304 178.750 176.300 0.242 0.000 1.161 204 R CA 1.112 57.343 56.100 0.218 0.000 1.007 204 R CB -1.069 29.199 30.300 -0.054 0.000 0.867 204 R HN 0.247 nan 8.270 nan 0.000 0.472 205 G N 1.234 110.094 108.800 0.100 0.000 2.440 205 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.218 205 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.218 205 G C 1.066 176.035 174.900 0.115 0.000 1.154 205 G CA 0.830 45.984 45.100 0.090 0.000 0.767 205 G HN 0.340 nan 8.290 nan 0.000 0.552 206 D N -0.144 120.270 120.400 0.023 0.000 2.244 206 D HA -0.201 4.438 4.640 -0.002 0.000 0.197 206 D C 1.475 177.698 176.300 -0.129 0.000 1.006 206 D CA 0.995 54.924 54.000 -0.119 0.000 0.888 206 D CB -0.060 40.573 40.800 -0.279 0.000 0.912 206 D HN 0.492 nan 8.370 nan 0.000 0.452 207 Y N 0.483 120.862 120.300 0.131 0.000 2.466 207 Y HA 0.212 4.760 4.550 -0.002 0.000 0.272 207 Y C 1.004 177.227 175.900 0.539 0.000 1.169 207 Y CA -0.196 58.038 58.100 0.223 0.000 1.285 207 Y CB 0.136 38.662 38.460 0.110 0.000 1.078 207 Y HN -0.060 nan 8.280 nan 0.000 0.523 208 E N 0.654 121.142 120.200 0.480 0.000 2.373 208 E HA 0.408 4.757 4.350 -0.002 0.000 0.263 208 E C -1.197 175.591 176.600 0.314 0.000 1.073 208 E CA -0.193 56.455 56.400 0.413 0.000 0.894 208 E CB 0.842 30.708 29.700 0.276 0.000 1.008 208 E HN -0.125 nan 8.360 nan 0.000 0.420 209 V N 4.305 124.369 119.914 0.250 0.000 2.655 209 V HA 0.275 4.394 4.120 -0.002 0.000 0.301 209 V C -1.194 174.962 176.094 0.102 0.000 1.082 209 V CA -1.073 61.308 62.300 0.136 0.000 0.899 209 V CB 1.971 33.836 31.823 0.070 0.000 1.014 209 V HN 0.684 nan 8.190 nan 0.000 0.429 210 N N 3.490 122.229 118.700 0.066 0.000 2.442 210 N HA 0.627 5.366 4.740 -0.002 0.000 0.274 210 N C 0.199 175.726 175.510 0.028 0.000 1.002 210 N CA 0.043 53.121 53.050 0.047 0.000 0.910 210 N CB 2.244 40.754 38.487 0.038 0.000 1.244 210 N HN 1.229 nan 8.380 nan 0.000 0.492 211 G N 0.379 109.196 108.800 0.028 0.000 3.445 211 G HA2 -0.005 3.954 3.960 -0.002 0.000 0.680 211 G HA3 -0.005 3.954 3.960 -0.002 0.000 0.680 211 G C 0.253 175.162 174.900 0.015 0.000 0.972 211 G CA -0.098 45.013 45.100 0.018 0.000 0.798 211 G HN 1.126 nan 8.290 nan 0.000 0.461 212 V N -2.670 117.261 119.914 0.028 0.000 4.124 212 V HA 0.138 4.257 4.120 -0.002 0.000 0.380 212 V C 0.169 176.322 176.094 0.098 0.000 1.943 212 V CA 0.844 63.159 62.300 0.025 0.000 1.672 212 V CB -1.188 30.635 31.823 0.001 0.000 0.986 212 V HN 1.948 nan 8.190 nan 0.000 0.330 213 D N 1.146 121.611 120.400 0.109 0.000 7.535 213 D HA 0.204 4.843 4.640 -0.002 0.000 0.259 213 D C 1.265 177.669 176.300 0.173 0.000 2.071 213 D CA 2.536 56.600 54.000 0.107 0.000 1.897 213 D CB -1.079 39.764 40.800 0.071 0.000 0.821 213 D HN 1.904 nan 8.370 nan 0.000 0.521 214 G N 1.752 110.585 108.800 0.055 0.000 2.268 214 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.240 214 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.240 214 G C 0.665 175.387 174.900 -0.296 0.000 1.010 214 G CA 0.565 45.599 45.100 -0.110 0.000 0.618 214 G HN 0.510 nan 8.290 nan 0.000 0.516 215 Y N 1.709 121.980 120.300 -0.050 0.000 2.481 215 Y HA 0.381 4.930 4.550 -0.002 0.000 0.247 215 Y C 1.024 176.872 175.900 -0.087 0.000 1.151 215 Y CA -0.396 57.644 58.100 -0.099 0.000 1.238 215 Y CB 0.365 38.755 38.460 -0.116 0.000 1.179 215 Y HN 0.195 nan 8.280 nan 0.000 0.524 216 D N -0.032 120.423 120.400 0.091 0.000 2.382 216 D HA 0.144 4.783 4.640 -0.002 0.000 0.240 216 D C -1.084 175.298 176.300 0.136 0.000 1.146 216 D CA 0.688 54.740 54.000 0.088 0.000 0.897 216 D CB 0.623 41.461 40.800 0.063 0.000 1.197 216 D HN 0.112 nan 8.370 nan 0.000 0.432 217 Y N 0.084 120.406 120.300 0.037 0.000 2.436 217 Y HA 0.301 4.850 4.550 -0.002 0.000 0.327 217 Y C -0.894 175.096 175.900 0.150 0.000 1.138 217 Y CA -0.692 57.471 58.100 0.105 0.000 1.042 217 Y CB 1.238 39.804 38.460 0.177 0.000 1.302 217 Y HN 0.469 nan 8.280 nan 0.000 0.439 218 S N 4.489 120.143 115.700 -0.077 0.000 2.651 218 S HA 0.523 4.992 4.470 -0.002 0.000 0.291 218 S C 0.676 175.330 174.600 0.089 0.000 1.141 218 S CA -0.877 57.344 58.200 0.034 0.000 1.027 218 S CB 2.110 65.289 63.200 -0.035 0.000 1.043 218 S HN 0.888 nan 8.310 nan 0.000 0.530 219 R N 0.769 121.349 120.500 0.133 0.000 2.159 219 R HA -0.063 4.276 4.340 -0.002 0.000 0.237 219 R C 2.101 178.412 176.300 0.018 0.000 1.131 219 R CA 1.479 57.657 56.100 0.129 0.000 0.982 219 R CB -0.808 29.566 30.300 0.124 0.000 0.868 219 R HN 0.870 nan 8.270 nan 0.000 0.453 220 G N -0.202 108.583 108.800 -0.025 0.000 2.539 220 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.215 220 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.215 220 G C 1.280 176.132 174.900 -0.081 0.000 1.141 220 G CA -0.226 44.833 45.100 -0.068 0.000 0.806 220 G HN 0.112 nan 8.290 nan 0.000 0.533 221 Q N -0.115 119.595 119.800 -0.150 0.000 2.197 221 Q HA -0.103 4.236 4.340 -0.002 0.000 0.207 221 Q C 2.488 178.452 176.000 -0.060 0.000 0.984 221 Q CA 0.871 56.516 55.803 -0.264 0.000 0.869 221 Q CB -0.347 27.913 28.738 -0.796 0.000 0.906 221 Q HN 0.476 nan 8.270 nan 0.000 0.426 222 L N 0.465 121.748 121.223 0.099 0.000 1.955 222 L HA -0.198 4.141 4.340 -0.002 0.000 0.213 222 L C 2.215 179.143 176.870 0.097 0.000 1.072 222 L CA 1.646 56.603 54.840 0.196 0.000 0.755 222 L CB -0.722 41.389 42.059 0.086 0.000 0.888 222 L HN 0.172 nan 8.230 nan 0.000 0.432 223 I N -0.539 120.026 120.570 -0.009 0.000 2.145 223 I HA -0.378 3.791 4.170 -0.002 0.000 0.244 223 I C 2.543 178.736 176.117 0.127 0.000 1.075 223 I CA 1.934 63.269 61.300 0.059 0.000 1.332 223 I CB -0.573 37.398 38.000 -0.050 0.000 1.033 223 I HN 0.470 nan 8.210 nan 0.000 0.410 224 E N 1.116 121.363 120.200 0.078 0.000 2.033 224 E HA -0.278 4.071 4.350 -0.002 0.000 0.199 224 E C 1.840 178.527 176.600 0.146 0.000 1.011 224 E CA 1.889 58.346 56.400 0.095 0.000 0.815 224 E CB 0.032 29.752 29.700 0.034 0.000 0.755 224 E HN 0.424 nan 8.360 nan 0.000 0.451 225 D N -0.160 120.329 120.400 0.149 0.000 2.117 225 D HA -0.141 4.497 4.640 -0.002 0.000 0.197 225 D C 2.126 178.567 176.300 0.233 0.000 0.987 225 D CA 0.996 55.117 54.000 0.202 0.000 0.829 225 D CB -0.158 40.811 40.800 0.281 0.000 0.961 225 D HN 0.114 nan 8.370 nan 0.000 0.460 226 V N 1.750 121.775 119.914 0.186 0.000 2.233 226 V HA -0.263 3.856 4.120 -0.002 0.000 0.247 226 V C 2.354 178.506 176.094 0.096 0.000 1.050 226 V CA 1.866 64.224 62.300 0.096 0.000 1.010 226 V CB -0.466 31.379 31.823 0.036 0.000 0.637 226 V HN 0.217 nan 8.190 nan 0.000 0.444 227 E N -1.025 119.265 120.200 0.151 0.000 2.106 227 E HA -0.239 4.110 4.350 -0.002 0.000 0.192 227 E C 2.235 178.924 176.600 0.149 0.000 0.984 227 E CA 1.202 57.668 56.400 0.110 0.000 0.806 227 E CB -0.306 29.509 29.700 0.191 0.000 0.750 227 E HN 0.694 nan 8.360 nan 0.000 0.458 228 H N 0.634 119.765 119.070 0.102 0.000 2.357 228 H HA -0.080 4.475 4.556 -0.002 0.000 0.301 228 H C 2.152 177.537 175.328 0.095 0.000 1.082 228 H CA 1.814 57.915 56.048 0.088 0.000 1.342 228 H CB 0.125 29.938 29.762 0.085 0.000 1.389 228 H HN 0.082 nan 8.280 nan 0.000 0.511 229 T N -0.123 114.616 114.554 0.308 0.000 2.951 229 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 229 T C 1.757 176.571 174.700 0.191 0.000 1.073 229 T CA 0.901 63.161 62.100 0.266 0.000 1.134 229 T CB -0.554 68.509 68.868 0.325 0.000 0.884 229 T HN 0.280 nan 8.240 nan 0.000 0.479 230 F N 2.060 122.036 119.950 0.043 0.000 2.146 230 F HA 0.062 4.588 4.527 -0.002 0.000 0.298 230 F C 2.315 178.043 175.800 -0.120 0.000 1.096 230 F CA 1.252 59.225 58.000 -0.044 0.000 1.275 230 F CB -0.333 38.466 39.000 -0.335 0.000 1.008 230 F HN 0.075 nan 8.300 nan 0.000 0.480 231 E N 0.726 120.809 120.200 -0.194 0.000 2.086 231 E HA -0.283 4.066 4.350 -0.002 0.000 0.200 231 E C 2.032 178.454 176.600 -0.297 0.000 1.012 231 E CA 1.832 58.066 56.400 -0.276 0.000 0.812 231 E CB -0.519 29.063 29.700 -0.196 0.000 0.743 231 E HN 0.603 nan 8.360 nan 0.000 0.453 232 E N -0.293 119.767 120.200 -0.233 0.000 2.515 232 E HA -0.071 4.278 4.350 -0.002 0.000 0.201 232 E C 1.770 178.240 176.600 -0.216 0.000 1.071 232 E CA 0.121 56.411 56.400 -0.184 0.000 0.880 232 E CB 0.046 29.677 29.700 -0.114 0.000 0.828 232 E HN 0.310 nan 8.360 nan 0.000 0.540 233 I N 0.046 120.429 120.570 -0.311 0.000 3.462 233 I HA -0.097 4.072 4.170 -0.002 0.000 0.290 233 I C 1.798 177.709 176.117 -0.344 0.000 1.236 233 I CA 0.151 61.259 61.300 -0.320 0.000 1.418 233 I CB 0.060 37.886 38.000 -0.290 0.000 1.102 233 I HN -0.032 nan 8.210 nan 0.000 0.441 234 K N 1.575 121.711 120.400 -0.440 0.000 2.034 234 K HA -0.193 4.126 4.320 -0.002 0.000 0.214 234 K C -0.499 176.036 176.600 -0.108 0.000 1.051 234 K CA 1.800 57.915 56.287 -0.287 0.000 0.931 234 K CB -1.597 30.721 32.500 -0.303 0.000 0.715 234 K HN 0.240 nan 8.250 nan 0.000 0.446 235 P HA -0.202 nan 4.420 nan 0.000 0.215 235 P C 1.442 178.784 177.300 0.070 0.000 1.157 235 P CA 0.953 64.070 63.100 0.027 0.000 0.874 235 P CB 0.025 31.782 31.700 0.094 0.000 0.790 236 L N -1.356 119.698 121.223 -0.281 0.000 1.989 236 L HA -0.197 4.142 4.340 -0.002 0.000 0.211 236 L C 2.364 179.245 176.870 0.019 0.000 1.071 236 L CA 1.883 56.518 54.840 -0.342 0.000 0.749 236 L CB -1.800 39.953 42.059 -0.510 0.000 0.890 236 L HN -0.070 nan 8.230 nan 0.000 0.431 237 Y N 0.662 120.900 120.300 -0.103 0.000 2.207 237 Y HA -0.239 4.310 4.550 -0.002 0.000 0.287 237 Y C 2.428 178.436 175.900 0.181 0.000 1.156 237 Y CA 2.168 60.271 58.100 0.006 0.000 1.182 237 Y CB -0.208 38.239 38.460 -0.021 0.000 0.979 237 Y HN 0.439 nan 8.280 nan 0.000 0.521 238 E N -1.420 118.807 120.200 0.046 0.000 2.106 238 E HA -0.209 4.139 4.350 -0.002 0.000 0.192 238 E C 2.030 178.598 176.600 -0.054 0.000 0.984 238 E CA 1.040 57.410 56.400 -0.051 0.000 0.806 238 E CB -0.214 29.352 29.700 -0.223 0.000 0.750 238 E HN 0.631 nan 8.360 nan 0.000 0.458 239 H N 0.425 119.565 119.070 0.118 0.000 2.333 239 H HA -0.063 4.492 4.556 -0.002 0.000 0.302 239 H C 2.323 177.772 175.328 0.201 0.000 1.075 239 H CA 0.720 56.865 56.048 0.162 0.000 1.348 239 H CB -0.196 29.707 29.762 0.236 0.000 1.393 239 H HN 0.144 nan 8.280 nan 0.000 0.509 240 L N 1.162 122.560 121.223 0.293 0.000 2.043 240 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 240 L C 2.477 179.540 176.870 0.321 0.000 1.075 240 L CA 1.861 56.879 54.840 0.297 0.000 0.752 240 L CB -0.850 41.317 42.059 0.181 0.000 0.891 240 L HN 0.397 nan 8.230 nan 0.000 0.432 241 H N -0.018 119.085 119.070 0.054 0.000 2.321 241 H HA -0.143 4.412 4.556 -0.002 0.000 0.300 241 H C 1.989 177.372 175.328 0.092 0.000 1.087 241 H CA 1.799 57.887 56.048 0.067 0.000 1.319 241 H CB 0.244 29.947 29.762 -0.098 0.000 1.379 241 H HN 0.423 nan 8.280 nan 0.000 0.501 242 A N 0.438 123.413 122.820 0.258 0.000 1.902 242 A HA -0.230 4.089 4.320 -0.002 0.000 0.217 242 A C 2.411 180.061 177.584 0.110 0.000 1.181 242 A CA 1.592 53.727 52.037 0.163 0.000 0.623 242 A CB -1.255 17.794 19.000 0.081 0.000 0.818 242 A HN 0.641 nan 8.150 nan 0.000 0.443 243 Y N 0.907 121.247 120.300 0.068 0.000 2.133 243 Y HA -0.160 4.389 4.550 -0.002 0.000 0.287 243 Y C 2.517 178.424 175.900 0.012 0.000 1.134 243 Y CA 2.229 60.364 58.100 0.059 0.000 1.133 243 Y CB -0.527 38.019 38.460 0.144 0.000 0.987 243 Y HN 0.213 nan 8.280 nan 0.000 0.502 244 V N 0.443 120.288 119.914 -0.114 0.000 2.490 244 V HA -0.215 3.904 4.120 -0.002 0.000 0.250 244 V C 2.419 178.304 176.094 -0.348 0.000 1.061 244 V CA 2.215 64.339 62.300 -0.294 0.000 1.064 244 V CB -0.991 30.724 31.823 -0.180 0.000 0.670 244 V HN 0.464 nan 8.190 nan 0.000 0.461 245 R N 0.913 121.224 120.500 -0.316 0.000 2.082 245 R HA -0.131 4.208 4.340 -0.002 0.000 0.234 245 R C 2.418 178.590 176.300 -0.213 0.000 1.136 245 R CA 2.188 58.116 56.100 -0.287 0.000 0.935 245 R CB -0.950 29.215 30.300 -0.224 0.000 0.842 245 R HN 0.581 nan 8.270 nan 0.000 0.430 246 A N 1.549 124.260 122.820 -0.182 0.000 1.884 246 A HA -0.229 4.090 4.320 -0.002 0.000 0.219 246 A C 2.068 179.528 177.584 -0.207 0.000 1.197 246 A CA 1.900 53.841 52.037 -0.160 0.000 0.637 246 A CB -0.583 18.341 19.000 -0.126 0.000 0.827 246 A HN 0.284 nan 8.150 nan 0.000 0.450 247 K N -0.388 119.821 120.400 -0.319 0.000 2.044 247 K HA -0.106 4.213 4.320 -0.002 0.000 0.210 247 K C 1.946 178.400 176.600 -0.243 0.000 1.049 247 K CA 1.450 57.546 56.287 -0.318 0.000 0.927 247 K CB -0.770 31.459 32.500 -0.451 0.000 0.713 247 K HN 0.585 nan 8.250 nan 0.000 0.443 248 L N 0.413 121.498 121.223 -0.230 0.000 2.131 248 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 248 L C 2.543 179.361 176.870 -0.086 0.000 1.092 248 L CA 0.937 55.680 54.840 -0.161 0.000 0.759 248 L CB -0.362 41.626 42.059 -0.118 0.000 0.903 248 L HN 0.194 nan 8.230 nan 0.000 0.435 249 M N -0.783 118.763 119.600 -0.089 0.000 2.267 249 M HA -0.214 4.265 4.480 -0.002 0.000 0.263 249 M C 1.714 177.981 176.300 -0.056 0.000 1.063 249 M CA 1.629 56.901 55.300 -0.046 0.000 1.090 249 M CB -0.535 32.022 32.600 -0.073 0.000 1.392 249 M HN 0.376 nan 8.290 nan 0.000 0.422 250 N N 0.069 118.704 118.700 -0.107 0.000 2.376 250 N HA 0.005 4.744 4.740 -0.002 0.000 0.177 250 N C 1.750 177.170 175.510 -0.149 0.000 1.024 250 N CA 0.850 53.833 53.050 -0.111 0.000 0.893 250 N CB 0.093 38.507 38.487 -0.121 0.000 0.980 250 N HN 0.290 nan 8.380 nan 0.000 0.439 251 A N 0.745 123.417 122.820 -0.246 0.000 1.874 251 A HA -0.042 4.277 4.320 -0.002 0.000 0.214 251 A C 0.230 177.530 177.584 -0.474 0.000 1.189 251 A CA 1.052 52.813 52.037 -0.461 0.000 0.615 251 A CB -0.267 18.295 19.000 -0.730 0.000 0.830 251 A HN 0.255 nan 8.150 nan 0.000 0.443 252 Y N -0.043 120.272 120.300 0.026 0.000 2.726 252 Y HA 0.369 4.918 4.550 -0.002 0.000 0.367 252 Y C -2.656 173.348 175.900 0.173 0.000 1.038 252 Y CA -3.678 54.505 58.100 0.138 0.000 1.174 252 Y CB -0.327 38.214 38.460 0.136 0.000 1.265 252 Y HN 0.133 nan 8.280 nan 0.000 0.622 253 P HA -0.094 nan 4.420 nan 0.000 0.261 253 P C 0.908 178.209 177.300 0.002 0.000 1.173 253 P CA 1.797 64.935 63.100 0.064 0.000 0.760 253 P CB 0.915 32.626 31.700 0.019 0.000 0.783 254 S N 1.769 117.432 115.700 -0.062 0.000 2.000 254 S HA -0.307 4.162 4.470 -0.002 0.000 0.243 254 S C 1.072 175.551 174.600 -0.201 0.000 1.092 254 S CA 1.088 59.177 58.200 -0.186 0.000 1.426 254 S CB -2.788 60.206 63.200 -0.343 0.000 1.779 254 S HN 0.348 nan 8.310 nan 0.000 0.565 255 Y N 2.065 122.342 120.300 -0.037 0.000 2.546 255 Y HA 0.560 5.109 4.550 -0.002 0.000 0.287 255 Y C 1.166 177.146 175.900 0.134 0.000 1.158 255 Y CA 0.521 58.597 58.100 -0.040 0.000 1.307 255 Y CB 0.212 38.520 38.460 -0.254 0.000 1.036 255 Y HN 0.457 nan 8.280 nan 0.000 0.532 256 I N -0.935 119.718 120.570 0.139 0.000 2.465 256 I HA 0.199 4.368 4.170 -0.002 0.000 0.291 256 I C -0.082 175.823 176.117 -0.353 0.000 1.014 256 I CA -0.974 60.264 61.300 -0.104 0.000 1.093 256 I CB 1.830 39.778 38.000 -0.086 0.000 1.267 256 I HN -0.274 nan 8.210 nan 0.000 0.431 257 S N 6.373 121.505 115.700 -0.947 0.000 2.510 257 S HA 0.264 4.733 4.470 -0.002 0.000 0.279 257 S C -1.605 172.712 174.600 -0.473 0.000 1.284 257 S CA -1.086 56.602 58.200 -0.854 0.000 1.059 257 S CB 0.832 63.048 63.200 -1.640 0.000 0.901 257 S HN 0.380 nan 8.310 nan 0.000 0.491 258 P HA -0.041 nan 4.420 nan 0.000 0.223 258 P C 0.779 178.095 177.300 0.028 0.000 1.144 258 P CA 0.949 63.992 63.100 -0.095 0.000 0.783 258 P CB -0.103 31.558 31.700 -0.064 0.000 0.771 259 I N -6.732 113.820 120.570 -0.030 0.000 4.154 259 I HA 0.441 4.610 4.170 -0.002 0.000 0.334 259 I C 0.762 176.989 176.117 0.183 0.000 1.371 259 I CA -0.342 61.070 61.300 0.187 0.000 1.110 259 I CB 0.432 38.382 38.000 -0.084 0.000 1.085 259 I HN -0.291 nan 8.210 nan 0.000 0.398 260 G N 0.518 109.269 108.800 -0.081 0.000 2.471 260 G HA2 0.472 4.431 3.960 -0.002 0.000 0.332 260 G HA3 0.472 4.431 3.960 -0.002 0.000 0.332 260 G C -0.379 174.559 174.900 0.063 0.000 1.176 260 G CA -0.442 44.624 45.100 -0.055 0.000 0.949 260 G HN 0.273 nan 8.290 nan 0.000 0.488 261 C N -0.745 118.682 119.300 0.213 0.000 2.801 261 C HA 0.216 4.675 4.460 -0.002 0.000 0.376 261 C C 0.847 175.901 174.990 0.107 0.000 1.323 261 C CA -0.306 58.791 59.018 0.132 0.000 2.170 261 C CB -0.495 27.303 27.740 0.097 0.000 2.650 261 C HN 0.438 nan 8.230 nan 0.000 0.736 262 L N 2.541 123.799 121.223 0.058 0.000 2.292 262 L HA 0.287 4.626 4.340 -0.002 0.000 0.284 262 L C -2.209 174.668 176.870 0.012 0.000 1.065 262 L CA -1.424 53.396 54.840 -0.034 0.000 0.806 262 L CB 0.707 42.649 42.059 -0.195 0.000 1.175 262 L HN 0.370 nan 8.230 nan 0.000 0.431 263 P HA 0.001 nan 4.420 nan 0.000 0.264 263 P C 0.362 177.523 177.300 -0.231 0.000 1.229 263 P CA 0.071 63.128 63.100 -0.071 0.000 0.780 263 P CB 1.042 32.705 31.700 -0.063 0.000 0.808 264 A N 4.493 127.216 122.820 -0.163 0.000 2.042 264 A HA -0.239 4.080 4.320 -0.002 0.000 0.222 264 A C 1.707 179.154 177.584 -0.229 0.000 1.167 264 A CA 1.657 53.661 52.037 -0.055 0.000 0.649 264 A CB -1.314 17.821 19.000 0.225 0.000 0.809 264 A HN 0.713 nan 8.150 nan 0.000 0.457 265 H N -1.148 117.488 119.070 -0.724 0.000 2.556 265 H HA 0.213 4.768 4.556 -0.002 0.000 0.268 265 H C 1.099 176.234 175.328 -0.323 0.000 0.996 265 H CA 0.820 56.532 56.048 -0.561 0.000 1.157 265 H CB -0.442 28.895 29.762 -0.709 0.000 1.355 265 H HN 0.483 nan 8.280 nan 0.000 0.597 266 L N 0.800 121.637 121.223 -0.643 0.000 2.693 266 L HA 0.188 4.526 4.340 -0.002 0.000 0.235 266 L C 1.563 178.289 176.870 -0.241 0.000 1.127 266 L CA -0.045 54.485 54.840 -0.516 0.000 0.914 266 L CB 0.244 41.911 42.059 -0.652 0.000 1.193 266 L HN 0.114 nan 8.230 nan 0.000 0.502 267 L N -0.125 120.985 121.223 -0.189 0.000 2.554 267 L HA 0.195 4.534 4.340 -0.002 0.000 0.226 267 L C 1.608 178.443 176.870 -0.058 0.000 1.137 267 L CA 0.835 55.551 54.840 -0.206 0.000 0.863 267 L CB -0.222 41.755 42.059 -0.136 0.000 0.985 267 L HN 0.458 nan 8.230 nan 0.000 0.451 268 G N -0.069 108.735 108.800 0.008 0.000 2.253 268 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.209 268 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.209 268 G C -0.132 174.827 174.900 0.098 0.000 0.997 268 G CA 0.169 45.308 45.100 0.064 0.000 0.640 268 G HN 0.489 nan 8.290 nan 0.000 0.496 269 D N -1.683 118.788 120.400 0.119 0.000 2.744 269 D HA 0.638 5.277 4.640 -0.002 0.000 0.304 269 D C 1.192 177.495 176.300 0.006 0.000 1.179 269 D CA -0.356 53.707 54.000 0.105 0.000 1.024 269 D CB -0.053 40.896 40.800 0.247 0.000 1.453 269 D HN 0.086 nan 8.370 nan 0.000 0.529 270 M N -0.481 118.946 119.600 -0.288 0.000 2.213 270 M HA 0.082 4.561 4.480 -0.002 0.000 0.263 270 M C 0.373 176.368 176.300 -0.509 0.000 1.062 270 M CA 1.673 56.497 55.300 -0.794 0.000 1.105 270 M CB -0.274 31.174 32.600 -1.920 0.000 1.385 270 M HN 0.582 nan 8.290 nan 0.000 0.417 271 W N -1.847 119.579 121.300 0.210 0.000 2.873 271 W HA 0.494 5.153 4.660 -0.002 0.000 0.282 271 W C 1.081 177.830 176.519 0.383 0.000 1.118 271 W CA 0.308 57.871 57.345 0.364 0.000 1.480 271 W CB -0.301 29.405 29.460 0.411 0.000 0.954 271 W HN 0.356 nan 8.180 nan 0.000 0.591 272 G N 1.850 110.903 108.800 0.422 0.000 2.164 272 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.212 272 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.212 272 G C 0.890 175.701 174.900 -0.147 0.000 1.031 272 G CA 0.300 45.585 45.100 0.309 0.000 0.730 272 G HN 0.249 nan 8.290 nan 0.000 0.501 273 R N -0.990 119.130 120.500 -0.634 0.000 2.115 273 R HA 0.239 4.578 4.340 -0.002 0.000 0.230 273 R C 0.159 175.709 176.300 -1.250 0.000 1.111 273 R CA 1.031 56.098 56.100 -1.722 0.000 0.976 273 R CB -0.020 29.451 30.300 -1.382 0.000 0.870 273 R HN 0.400 nan 8.270 nan 0.000 0.445 274 F N -2.179 117.698 119.950 -0.123 0.000 2.578 274 F HA 0.238 4.764 4.527 -0.002 0.000 0.311 274 F C -0.496 175.487 175.800 0.305 0.000 1.094 274 F CA -1.255 56.743 58.000 -0.004 0.000 0.923 274 F CB 1.331 40.315 39.000 -0.027 0.000 1.230 274 F HN -0.104 nan 8.300 nan 0.000 0.450 275 W N 1.134 122.545 121.300 0.186 0.000 3.388 275 W HA 0.120 4.778 4.660 -0.002 0.000 0.324 275 W C 1.631 178.234 176.519 0.139 0.000 1.250 275 W CA -0.454 56.975 57.345 0.140 0.000 1.809 275 W CB -1.510 28.027 29.460 0.129 0.000 1.083 275 W HN 0.444 nan 8.180 nan 0.000 0.685 276 T N 0.264 115.022 114.554 0.340 0.000 2.714 276 T HA -0.303 4.046 4.350 -0.002 0.000 0.268 276 T C 1.239 176.054 174.700 0.192 0.000 1.036 276 T CA 1.994 64.215 62.100 0.201 0.000 1.148 276 T CB -0.360 68.562 68.868 0.090 0.000 0.856 276 T HN 0.340 nan 8.240 nan 0.000 0.462 277 N N 0.424 119.234 118.700 0.184 0.000 2.461 277 N HA 0.232 4.971 4.740 -0.002 0.000 0.188 277 N C 1.207 176.794 175.510 0.128 0.000 1.134 277 N CA -0.051 53.085 53.050 0.142 0.000 0.878 277 N CB -0.116 38.435 38.487 0.107 0.000 0.972 277 N HN 0.319 nan 8.380 nan 0.000 0.456 278 L N -0.478 120.837 121.223 0.153 0.000 2.492 278 L HA -0.020 4.319 4.340 -0.002 0.000 0.223 278 L C 1.763 178.701 176.870 0.113 0.000 1.132 278 L CA 0.267 55.157 54.840 0.083 0.000 0.850 278 L CB -0.269 41.818 42.059 0.047 0.000 0.966 278 L HN 0.251 nan 8.230 nan 0.000 0.454 279 Y N 1.746 122.085 120.300 0.065 0.000 2.102 279 Y HA -0.419 4.129 4.550 -0.002 0.000 0.280 279 Y C 2.963 178.881 175.900 0.031 0.000 1.178 279 Y CA 1.824 59.961 58.100 0.060 0.000 1.146 279 Y CB -0.424 38.071 38.460 0.059 0.000 0.968 279 Y HN 0.327 nan 8.280 nan 0.000 0.504 280 S N -0.150 115.548 115.700 -0.003 0.000 2.419 280 S HA -0.185 4.284 4.470 -0.002 0.000 0.235 280 S C 1.192 175.696 174.600 -0.160 0.000 1.019 280 S CA 1.582 59.730 58.200 -0.087 0.000 0.982 280 S CB -0.888 62.308 63.200 -0.006 0.000 0.789 280 S HN 0.458 nan 8.310 nan 0.000 0.490 281 L N -0.337 120.795 121.223 -0.151 0.000 3.168 281 L HA 0.570 4.909 4.340 -0.002 0.000 0.277 281 L C 0.716 177.471 176.870 -0.192 0.000 1.245 281 L CA 0.233 54.969 54.840 -0.173 0.000 1.035 281 L CB -0.047 41.905 42.059 -0.179 0.000 1.399 281 L HN 0.304 nan 8.230 nan 0.000 0.580 282 T N -4.461 109.980 114.554 -0.189 0.000 3.144 282 T HA 0.247 4.596 4.350 -0.002 0.000 0.290 282 T C 0.380 175.035 174.700 -0.075 0.000 0.966 282 T CA 0.218 62.230 62.100 -0.147 0.000 0.907 282 T CB 0.013 68.860 68.868 -0.035 0.000 1.152 282 T HN 0.063 nan 8.240 nan 0.000 0.532 283 V N 4.033 123.761 119.914 -0.310 0.000 2.509 283 V HA 0.153 4.272 4.120 -0.002 0.000 0.297 283 V C -1.131 174.873 176.094 -0.150 0.000 1.014 283 V CA -1.073 60.982 62.300 -0.408 0.000 1.127 283 V CB 1.287 32.734 31.823 -0.627 0.000 0.925 283 V HN 0.109 nan 8.190 nan 0.000 0.480 284 P HA -0.049 nan 4.420 nan 0.000 0.215 284 P C -0.330 176.485 177.300 -0.808 0.000 1.157 284 P CA 1.550 64.387 63.100 -0.439 0.000 0.868 284 P CB 0.097 31.367 31.700 -0.716 0.000 0.788 285 F N -2.353 117.620 119.950 0.038 0.000 2.676 285 F HA 0.439 4.965 4.527 -0.002 0.000 0.371 285 F C 1.401 177.218 175.800 0.028 0.000 1.141 285 F CA -0.826 57.200 58.000 0.045 0.000 1.133 285 F CB 0.498 39.522 39.000 0.040 0.000 1.376 285 F HN -0.209 nan 8.300 nan 0.000 0.491 286 G N 0.456 109.318 108.800 0.104 0.000 2.509 286 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.218 286 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.218 286 G C 1.315 176.269 174.900 0.090 0.000 1.124 286 G CA 0.585 45.721 45.100 0.060 0.000 0.776 286 G HN 0.370 nan 8.290 nan 0.000 0.547 287 Q N 0.011 119.884 119.800 0.121 0.000 2.451 287 Q HA 0.166 4.505 4.340 -0.002 0.000 0.206 287 Q C 1.423 177.480 176.000 0.095 0.000 0.947 287 Q CA 0.218 56.078 55.803 0.095 0.000 0.937 287 Q CB 0.139 28.931 28.738 0.089 0.000 1.025 287 Q HN 0.253 nan 8.270 nan 0.000 0.511 288 K N 0.638 121.116 120.400 0.131 0.000 2.233 288 K HA 0.163 4.482 4.320 -0.002 0.000 0.239 288 K C -2.074 174.611 176.600 0.141 0.000 1.064 288 K CA -1.380 54.981 56.287 0.123 0.000 0.884 288 K CB -0.586 32.010 32.500 0.159 0.000 1.166 288 K HN -0.131 nan 8.250 nan 0.000 0.512 289 P HA 0.137 nan 4.420 nan 0.000 0.219 289 P C -0.901 176.501 177.300 0.169 0.000 1.847 289 P CA -0.592 62.627 63.100 0.199 0.000 1.059 289 P CB -0.263 31.616 31.700 0.298 0.000 1.900 290 N N 1.917 120.703 118.700 0.143 0.000 2.585 290 N HA -0.230 4.509 4.740 -0.002 0.000 0.317 290 N C 0.439 175.992 175.510 0.071 0.000 1.242 290 N CA 0.369 53.497 53.050 0.130 0.000 0.693 290 N CB 0.004 38.542 38.487 0.086 0.000 1.033 290 N HN 0.189 nan 8.380 nan 0.000 0.529 291 I N 1.869 122.507 120.570 0.114 0.000 3.812 291 I HA 0.127 4.296 4.170 -0.002 0.000 0.320 291 I C 0.204 176.292 176.117 -0.048 0.000 1.276 291 I CA 0.137 61.446 61.300 0.016 0.000 1.164 291 I CB -0.260 37.811 38.000 0.119 0.000 1.009 291 I HN 0.474 nan 8.210 nan 0.000 0.431 292 D N 0.288 120.672 120.400 -0.026 0.000 2.467 292 D HA 0.084 4.723 4.640 -0.002 0.000 0.220 292 D C 1.234 177.474 176.300 -0.099 0.000 1.103 292 D CA -0.091 53.866 54.000 -0.072 0.000 0.886 292 D CB 0.955 41.754 40.800 -0.002 0.000 1.025 292 D HN 0.105 nan 8.370 nan 0.000 0.514 293 V N 1.896 121.700 119.914 -0.184 0.000 3.590 293 V HA -0.036 4.083 4.120 -0.002 0.000 0.272 293 V C 1.683 177.629 176.094 -0.246 0.000 1.233 293 V CA 0.566 62.712 62.300 -0.258 0.000 1.182 293 V CB -1.064 30.519 31.823 -0.400 0.000 0.901 293 V HN 0.339 nan 8.190 nan 0.000 0.485 294 T N 1.319 115.780 114.554 -0.155 0.000 2.624 294 T HA -0.225 4.124 4.350 -0.002 0.000 0.268 294 T C 1.566 176.198 174.700 -0.114 0.000 1.041 294 T CA 2.492 64.524 62.100 -0.112 0.000 1.159 294 T CB -0.389 68.451 68.868 -0.047 0.000 0.863 294 T HN 0.678 nan 8.240 nan 0.000 0.434 295 D N 1.023 121.366 120.400 -0.095 0.000 2.117 295 D HA 0.010 4.649 4.640 -0.002 0.000 0.198 295 D C 2.474 178.696 176.300 -0.129 0.000 0.982 295 D CA 1.143 55.094 54.000 -0.081 0.000 0.828 295 D CB -0.476 40.294 40.800 -0.050 0.000 0.967 295 D HN 0.393 nan 8.370 nan 0.000 0.464 296 A N 1.319 124.030 122.820 -0.182 0.000 1.903 296 A HA -0.263 4.056 4.320 -0.002 0.000 0.219 296 A C 2.310 179.679 177.584 -0.357 0.000 1.191 296 A CA 1.988 53.874 52.037 -0.252 0.000 0.638 296 A CB -0.732 18.081 19.000 -0.311 0.000 0.823 296 A HN 0.168 nan 8.150 nan 0.000 0.451 297 M N -1.080 118.255 119.600 -0.442 0.000 2.086 297 M HA -0.141 4.338 4.480 -0.002 0.000 0.261 297 M C 2.139 178.322 176.300 -0.195 0.000 1.067 297 M CA 1.645 56.617 55.300 -0.545 0.000 1.116 297 M CB -0.507 31.861 32.600 -0.386 0.000 1.348 297 M HN 0.255 nan 8.290 nan 0.000 0.407 298 V N 0.481 120.336 119.914 -0.099 0.000 2.287 298 V HA -0.296 3.823 4.120 -0.002 0.000 0.248 298 V C 1.800 177.890 176.094 -0.006 0.000 1.053 298 V CA 1.997 64.289 62.300 -0.013 0.000 1.027 298 V CB -0.773 31.043 31.823 -0.011 0.000 0.646 298 V HN 0.419 nan 8.190 nan 0.000 0.447 299 D N -0.341 120.033 120.400 -0.045 0.000 2.178 299 D HA -0.162 4.477 4.640 -0.002 0.000 0.201 299 D C 2.165 178.463 176.300 -0.003 0.000 0.980 299 D CA 1.124 55.108 54.000 -0.026 0.000 0.842 299 D CB -0.177 40.595 40.800 -0.047 0.000 0.948 299 D HN 0.550 nan 8.370 nan 0.000 0.472 300 Q N -0.605 119.184 119.800 -0.018 0.000 2.360 300 Q HA 0.345 4.684 4.340 -0.002 0.000 0.202 300 Q C 0.532 176.663 176.000 0.219 0.000 0.915 300 Q CA 0.361 56.208 55.803 0.074 0.000 0.943 300 Q CB 0.692 29.438 28.738 0.015 0.000 1.064 300 Q HN 0.188 nan 8.270 nan 0.000 0.511 301 A N -0.131 122.795 122.820 0.176 0.000 2.925 301 A HA -0.162 4.156 4.320 -0.002 0.000 0.265 301 A C -0.665 177.100 177.584 0.302 0.000 1.419 301 A CA 0.187 52.340 52.037 0.194 0.000 0.807 301 A CB -2.253 16.828 19.000 0.135 0.000 1.043 301 A HN 0.467 nan 8.150 nan 0.000 0.600 302 W N 1.648 122.968 121.300 0.032 0.000 2.264 302 W HA 0.456 5.115 4.660 -0.002 0.000 0.331 302 W C 0.632 177.194 176.519 0.071 0.000 1.364 302 W CA 0.586 57.962 57.345 0.053 0.000 1.253 302 W CB 0.405 29.896 29.460 0.053 0.000 1.215 302 W HN 0.620 nan 8.180 nan 0.000 0.561 303 D N 1.048 121.552 120.400 0.172 0.000 2.449 303 D HA 0.469 5.108 4.640 -0.002 0.000 0.250 303 D C 0.883 177.285 176.300 0.171 0.000 1.050 303 D CA -0.373 53.717 54.000 0.149 0.000 1.024 303 D CB 1.010 41.865 40.800 0.091 0.000 1.218 303 D HN 0.323 nan 8.370 nan 0.000 0.566 304 A N 0.167 123.110 122.820 0.205 0.000 1.917 304 A HA -0.262 4.057 4.320 -0.002 0.000 0.219 304 A C 2.073 179.882 177.584 0.375 0.000 1.182 304 A CA 1.627 53.849 52.037 0.308 0.000 0.633 304 A CB -0.765 18.421 19.000 0.310 0.000 0.819 304 A HN 0.618 nan 8.150 nan 0.000 0.448 305 Q N -0.990 118.963 119.800 0.255 0.000 2.061 305 Q HA -0.252 4.087 4.340 -0.002 0.000 0.204 305 Q C 2.346 178.429 176.000 0.139 0.000 0.984 305 Q CA 2.063 58.004 55.803 0.229 0.000 0.846 305 Q CB -0.320 28.459 28.738 0.069 0.000 0.902 305 Q HN 0.624 nan 8.270 nan 0.000 0.421 306 R N 0.971 121.455 120.500 -0.027 0.000 2.083 306 R HA -0.129 4.210 4.340 -0.002 0.000 0.237 306 R C 2.204 178.410 176.300 -0.156 0.000 1.137 306 R CA 1.316 57.262 56.100 -0.257 0.000 0.951 306 R CB -0.660 29.260 30.300 -0.633 0.000 0.851 306 R HN 0.222 nan 8.270 nan 0.000 0.434 307 I N -0.052 120.540 120.570 0.036 0.000 2.118 307 I HA -0.297 3.872 4.170 -0.002 0.000 0.241 307 I C 2.125 178.242 176.117 0.001 0.000 1.070 307 I CA 1.747 63.119 61.300 0.120 0.000 1.327 307 I CB -1.039 37.008 38.000 0.079 0.000 1.034 307 I HN 0.096 nan 8.210 nan 0.000 0.405 308 F N 1.013 121.101 119.950 0.229 0.000 2.206 308 F HA -0.131 4.395 4.527 -0.002 0.000 0.298 308 F C 2.543 178.595 175.800 0.420 0.000 1.090 308 F CA 1.201 59.390 58.000 0.315 0.000 1.323 308 F CB -0.478 38.795 39.000 0.456 0.000 1.028 308 F HN -0.052 nan 8.300 nan 0.000 0.492 309 K N 0.458 121.169 120.400 0.518 0.000 2.148 309 K HA -0.160 4.159 4.320 -0.002 0.000 0.204 309 K C 1.937 178.640 176.600 0.172 0.000 1.050 309 K CA 1.006 57.471 56.287 0.296 0.000 0.942 309 K CB -0.158 32.324 32.500 -0.030 0.000 0.724 309 K HN 0.037 nan 8.250 nan 0.000 0.446 310 E N -0.084 120.179 120.200 0.105 0.000 2.051 310 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 310 E C 1.673 178.347 176.600 0.122 0.000 0.991 310 E CA 1.561 58.031 56.400 0.116 0.000 0.799 310 E CB -0.327 29.475 29.700 0.171 0.000 0.748 310 E HN 0.304 nan 8.360 nan 0.000 0.449 311 A N 0.612 123.383 122.820 -0.082 0.000 1.933 311 A HA -0.228 4.091 4.320 -0.002 0.000 0.218 311 A C 2.178 179.761 177.584 -0.003 0.000 1.175 311 A CA 1.765 53.511 52.037 -0.485 0.000 0.628 311 A CB -0.644 17.766 19.000 -0.984 0.000 0.814 311 A HN 0.425 nan 8.150 nan 0.000 0.444 312 E N -0.043 120.266 120.200 0.181 0.000 2.031 312 E HA -0.255 4.094 4.350 -0.002 0.000 0.193 312 E C 2.067 178.786 176.600 0.198 0.000 0.994 312 E CA 1.522 58.079 56.400 0.262 0.000 0.800 312 E CB -0.188 29.698 29.700 0.310 0.000 0.752 312 E HN 0.583 nan 8.360 nan 0.000 0.447 313 K N -0.223 120.271 120.400 0.156 0.000 2.089 313 K HA -0.233 4.086 4.320 -0.002 0.000 0.210 313 K C 2.080 178.740 176.600 0.099 0.000 1.048 313 K CA 1.767 58.120 56.287 0.111 0.000 0.926 313 K CB -0.396 32.167 32.500 0.104 0.000 0.714 313 K HN 0.161 nan 8.250 nan 0.000 0.448 314 F N 0.640 120.577 119.950 -0.021 0.000 2.046 314 F HA -0.244 4.282 4.527 -0.002 0.000 0.297 314 F C 1.687 177.380 175.800 -0.178 0.000 1.123 314 F CA 1.670 59.610 58.000 -0.101 0.000 1.199 314 F CB -0.554 38.329 39.000 -0.195 0.000 0.972 314 F HN -0.046 nan 8.300 nan 0.000 0.474 315 F N 0.264 120.130 119.950 -0.139 0.000 2.171 315 F HA -0.161 4.365 4.527 -0.002 0.000 0.300 315 F C 2.428 178.072 175.800 -0.260 0.000 1.090 315 F CA 1.422 59.247 58.000 -0.292 0.000 1.293 315 F CB -1.386 37.547 39.000 -0.112 0.000 1.013 315 F HN -0.159 nan 8.300 nan 0.000 0.486 316 V N -0.038 119.887 119.914 0.020 0.000 2.332 316 V HA -0.319 3.800 4.120 -0.002 0.000 0.248 316 V C 2.564 178.603 176.094 -0.091 0.000 1.055 316 V CA 2.082 64.364 62.300 -0.029 0.000 1.038 316 V CB -1.143 30.682 31.823 0.003 0.000 0.651 316 V HN 0.543 nan 8.190 nan 0.000 0.450 317 S N 1.074 116.694 115.700 -0.134 0.000 2.400 317 S HA -0.153 4.316 4.470 -0.002 0.000 0.232 317 S C 1.869 176.358 174.600 -0.184 0.000 1.025 317 S CA 1.753 59.865 58.200 -0.146 0.000 0.993 317 S CB -0.635 62.485 63.200 -0.133 0.000 0.808 317 S HN 0.699 nan 8.310 nan 0.000 0.478 318 V N -2.102 117.649 119.914 -0.271 0.000 3.573 318 V HA 0.602 4.721 4.120 -0.002 0.000 0.270 318 V C 1.522 177.529 176.094 -0.143 0.000 1.221 318 V CA 0.389 62.561 62.300 -0.213 0.000 1.163 318 V CB -1.029 30.638 31.823 -0.260 0.000 0.847 318 V HN 0.930 nan 8.190 nan 0.000 0.468 319 G N -0.019 108.700 108.800 -0.135 0.000 2.148 319 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.203 319 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.203 319 G C -0.208 174.589 174.900 -0.172 0.000 0.993 319 G CA 0.100 45.119 45.100 -0.135 0.000 0.661 319 G HN 0.522 nan 8.290 nan 0.000 0.518 320 L N 1.595 122.735 121.223 -0.140 0.000 2.416 320 L HA 0.554 4.893 4.340 -0.002 0.000 0.262 320 L C -1.338 175.453 176.870 -0.131 0.000 1.093 320 L CA -2.299 52.447 54.840 -0.157 0.000 0.801 320 L CB 1.086 43.092 42.059 -0.089 0.000 1.191 320 L HN -0.035 nan 8.230 nan 0.000 0.459 321 P HA 0.089 nan 4.420 nan 0.000 0.274 321 P C -0.894 176.348 177.300 -0.095 0.000 1.231 321 P CA -0.507 62.519 63.100 -0.123 0.000 0.790 321 P CB 0.514 32.129 31.700 -0.141 0.000 0.951 322 N N 0.931 119.603 118.700 -0.046 0.000 2.178 322 N HA 0.034 4.773 4.740 -0.002 0.000 0.217 322 N C 0.770 176.235 175.510 -0.075 0.000 1.342 322 N CA 0.272 53.323 53.050 0.002 0.000 0.884 322 N CB 0.057 38.582 38.487 0.065 0.000 1.105 322 N HN 0.402 nan 8.380 nan 0.000 0.444 323 M N 0.356 119.918 119.600 -0.064 0.000 2.202 323 M HA 0.065 4.544 4.480 -0.002 0.000 0.316 323 M C 0.866 177.148 176.300 -0.030 0.000 1.138 323 M CA -0.187 54.946 55.300 -0.279 0.000 1.151 323 M CB -0.099 32.047 32.600 -0.757 0.000 1.422 323 M HN 0.555 nan 8.290 nan 0.000 0.471 324 T N -1.321 113.222 114.554 -0.018 0.000 2.913 324 T HA 0.105 4.454 4.350 -0.002 0.000 0.297 324 T C 0.953 175.774 174.700 0.201 0.000 1.029 324 T CA -0.522 61.640 62.100 0.103 0.000 1.104 324 T CB 1.080 70.032 68.868 0.139 0.000 0.964 324 T HN 0.702 nan 8.240 nan 0.000 0.532 325 Q N 2.174 122.095 119.800 0.202 0.000 2.197 325 Q HA -0.183 4.156 4.340 -0.002 0.000 0.211 325 Q C 2.259 178.382 176.000 0.206 0.000 0.993 325 Q CA 2.233 58.177 55.803 0.235 0.000 0.883 325 Q CB -1.017 27.805 28.738 0.140 0.000 0.916 325 Q HN 1.033 nan 8.270 nan 0.000 0.418 326 G N 0.136 109.017 108.800 0.135 0.000 2.440 326 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.218 326 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.218 326 G C 1.128 176.049 174.900 0.034 0.000 1.154 326 G CA 0.716 45.858 45.100 0.069 0.000 0.767 326 G HN 0.500 nan 8.290 nan 0.000 0.552 327 F N 0.419 120.310 119.950 -0.099 0.000 2.065 327 F HA -0.168 4.358 4.527 -0.002 0.000 0.298 327 F C 2.412 178.032 175.800 -0.300 0.000 1.112 327 F CA 1.973 59.811 58.000 -0.271 0.000 1.212 327 F CB -0.271 38.456 39.000 -0.456 0.000 0.975 327 F HN 0.253 nan 8.300 nan 0.000 0.476 328 W N 0.740 122.129 121.300 0.148 0.000 2.388 328 W HA -0.075 4.584 4.660 -0.002 0.000 0.294 328 W C 2.415 178.893 176.519 -0.069 0.000 1.212 328 W CA 1.171 58.538 57.345 0.035 0.000 1.271 328 W CB -0.465 29.068 29.460 0.122 0.000 1.126 328 W HN 0.058 nan 8.180 nan 0.000 0.535 329 E N -0.017 120.269 120.200 0.144 0.000 2.072 329 E HA -0.154 4.195 4.350 -0.002 0.000 0.190 329 E C 1.745 178.323 176.600 -0.037 0.000 0.982 329 E CA 1.019 57.451 56.400 0.054 0.000 0.803 329 E CB -0.287 29.436 29.700 0.039 0.000 0.755 329 E HN 0.272 nan 8.360 nan 0.000 0.453 330 N N 0.142 118.760 118.700 -0.136 0.000 2.388 330 N HA 0.053 4.792 4.740 -0.002 0.000 0.176 330 N C 0.385 175.744 175.510 -0.252 0.000 1.062 330 N CA 0.140 53.059 53.050 -0.219 0.000 0.895 330 N CB 0.484 38.763 38.487 -0.346 0.000 1.018 330 N HN -0.089 nan 8.380 nan 0.000 0.456 331 S N 0.833 116.301 115.700 -0.386 0.000 2.596 331 S HA 0.163 4.632 4.470 -0.002 0.000 0.260 331 S C 0.388 174.927 174.600 -0.102 0.000 1.336 331 S CA -0.097 57.878 58.200 -0.376 0.000 0.993 331 S CB 0.935 63.550 63.200 -0.975 0.000 0.923 331 S HN 0.212 nan 8.310 nan 0.000 0.567 332 M N 2.882 122.459 119.600 -0.038 0.000 2.053 332 M HA 0.301 4.780 4.480 -0.002 0.000 0.297 332 M C -1.167 175.056 176.300 -0.128 0.000 0.921 332 M CA -0.617 54.638 55.300 -0.075 0.000 0.918 332 M CB 0.425 32.951 32.600 -0.124 0.000 1.499 332 M HN 0.393 nan 8.290 nan 0.000 0.422 333 L N 3.393 124.544 121.223 -0.120 0.000 2.628 333 L HA 0.325 4.664 4.340 -0.002 0.000 0.229 333 L C 0.160 177.073 176.870 0.071 0.000 1.137 333 L CA 0.430 55.218 54.840 -0.088 0.000 0.909 333 L CB -1.202 40.771 42.059 -0.144 0.000 1.137 333 L HN 0.741 nan 8.230 nan 0.000 0.470 334 T N -3.999 110.575 114.554 0.034 0.000 2.932 334 T HA 0.240 4.589 4.350 -0.002 0.000 0.318 334 T C -0.608 174.097 174.700 0.009 0.000 1.265 334 T CA -0.914 61.217 62.100 0.052 0.000 1.036 334 T CB 2.356 71.263 68.868 0.066 0.000 1.209 334 T HN -0.135 nan 8.240 nan 0.000 0.484 335 D N 2.307 122.714 120.400 0.012 0.000 2.502 335 D HA 0.116 4.755 4.640 -0.002 0.000 0.249 335 D C -1.154 175.139 176.300 -0.012 0.000 1.188 335 D CA -1.306 52.688 54.000 -0.010 0.000 0.890 335 D CB 1.051 41.854 40.800 0.004 0.000 1.140 335 D HN 0.243 nan 8.370 nan 0.000 0.505 336 P HA 0.079 nan 4.420 nan 0.000 0.228 336 P C 0.713 178.004 177.300 -0.015 0.000 1.151 336 P CA 0.909 63.993 63.100 -0.027 0.000 0.770 336 P CB 0.077 31.748 31.700 -0.048 0.000 0.786 337 G N -0.652 108.140 108.800 -0.013 0.000 2.527 337 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.262 337 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.262 337 G C -0.115 174.780 174.900 -0.009 0.000 1.153 337 G CA -0.218 44.879 45.100 -0.004 0.000 0.954 337 G HN 0.229 nan 8.290 nan 0.000 0.552 338 N N 0.544 119.242 118.700 -0.003 0.000 2.476 338 N HA 0.471 5.210 4.740 -0.002 0.000 0.287 338 N C 1.166 176.671 175.510 -0.008 0.000 1.262 338 N CA 0.430 53.477 53.050 -0.004 0.000 0.980 338 N CB 0.892 39.381 38.487 0.004 0.000 1.163 338 N HN 1.480 nan 8.380 nan 0.000 0.592 339 V N -1.056 118.854 119.914 -0.006 0.000 4.112 339 V HA -0.243 3.876 4.120 -0.002 0.000 0.233 339 V C 0.221 176.304 176.094 -0.018 0.000 0.458 339 V CA 1.356 63.652 62.300 -0.008 0.000 0.909 339 V CB -2.398 29.423 31.823 -0.003 0.000 0.963 339 V HN 0.976 nan 8.190 nan 0.000 1.260 340 Q N -1.008 118.775 119.800 -0.028 0.000 4.095 340 Q HA 0.109 4.448 4.340 -0.002 0.000 0.099 340 Q C 0.168 176.128 176.000 -0.067 0.000 0.735 340 Q CA 0.142 55.915 55.803 -0.049 0.000 0.918 340 Q CB 0.322 29.029 28.738 -0.052 0.000 1.488 340 Q HN 0.885 nan 8.270 nan 0.000 0.458 341 K N -0.120 120.243 120.400 -0.060 0.000 2.336 341 K HA 0.697 5.016 4.320 -0.002 0.000 0.262 341 K C -0.302 176.222 176.600 -0.126 0.000 0.992 341 K CA 0.370 56.617 56.287 -0.068 0.000 0.927 341 K CB 0.994 33.470 32.500 -0.039 0.000 0.956 341 K HN 0.226 nan 8.250 nan 0.000 0.495 342 A N 1.124 123.868 122.820 -0.126 0.000 2.612 342 A HA 0.438 4.757 4.320 -0.002 0.000 0.293 342 A C -0.771 176.743 177.584 -0.118 0.000 1.075 342 A CA -0.727 51.197 52.037 -0.189 0.000 0.680 342 A CB 1.303 20.174 19.000 -0.215 0.000 1.279 342 A HN 0.860 nan 8.150 nan 0.000 0.411 343 V N -1.171 118.671 119.914 -0.120 0.000 2.614 343 V HA 0.395 4.514 4.120 -0.002 0.000 0.291 343 V C 0.587 176.695 176.094 0.023 0.000 1.049 343 V CA 0.136 62.443 62.300 0.012 0.000 1.038 343 V CB 0.494 32.364 31.823 0.080 0.000 0.980 343 V HN 0.954 nan 8.190 nan 0.000 0.481 344 c N 3.582 122.223 118.600 0.069 0.000 2.906 344 c HA 0.348 4.917 4.570 -0.002 0.000 0.274 344 c C 0.934 175.033 174.090 0.016 0.000 1.257 344 c CA -0.200 56.143 56.329 0.023 0.000 1.695 344 c CB -2.090 40.417 42.510 -0.005 0.000 1.958 344 c HN 1.024 nan 8.230 nan 0.000 0.619 345 H N 1.985 121.044 119.070 -0.019 0.000 3.046 345 H HA 0.150 4.705 4.556 -0.002 0.000 0.303 345 H C -2.315 173.015 175.328 0.004 0.000 1.002 345 H CA -0.075 55.935 56.048 -0.064 0.000 1.460 345 H CB 0.143 29.793 29.762 -0.185 0.000 1.493 345 H HN 0.195 nan 8.280 nan 0.000 0.559 346 P HA 0.040 nan 4.420 nan 0.000 0.266 346 P C -0.747 176.655 177.300 0.170 0.000 1.215 346 P CA -0.002 63.181 63.100 0.139 0.000 0.763 346 P CB 0.722 32.492 31.700 0.117 0.000 0.806 347 T N 0.078 114.779 114.554 0.245 0.000 2.909 347 T HA 0.766 5.115 4.350 -0.002 0.000 0.299 347 T C -0.990 173.932 174.700 0.370 0.000 1.073 347 T CA -1.075 61.169 62.100 0.240 0.000 0.999 347 T CB 1.933 70.964 68.868 0.272 0.000 1.098 347 T HN 0.211 nan 8.240 nan 0.000 0.477 348 A N 1.797 124.750 122.820 0.222 0.000 2.267 348 A HA 0.625 4.944 4.320 -0.002 0.000 0.315 348 A C -1.193 176.534 177.584 0.239 0.000 1.297 348 A CA -0.901 51.320 52.037 0.306 0.000 0.865 348 A CB 0.045 19.192 19.000 0.246 0.000 1.165 348 A HN 0.733 nan 8.150 nan 0.000 0.513 349 W N 1.476 122.872 121.300 0.159 0.000 2.338 349 W HA 0.451 5.110 4.660 -0.002 0.000 0.307 349 W C -0.001 176.572 176.519 0.089 0.000 1.167 349 W CA -0.033 57.378 57.345 0.110 0.000 1.208 349 W CB 1.137 30.673 29.460 0.128 0.000 1.228 349 W HN 0.648 nan 8.180 nan 0.000 0.499 350 D N 3.568 124.072 120.400 0.174 0.000 2.483 350 D HA 0.143 4.782 4.640 -0.002 0.000 0.281 350 D C 0.695 176.958 176.300 -0.063 0.000 1.174 350 D CA -0.213 53.807 54.000 0.033 0.000 0.938 350 D CB 0.351 41.229 40.800 0.129 0.000 1.002 350 D HN 0.167 nan 8.370 nan 0.000 0.501 351 L N 1.730 122.907 121.223 -0.076 0.000 2.079 351 L HA 0.197 4.536 4.340 -0.002 0.000 0.210 351 L C 1.688 178.549 176.870 -0.014 0.000 1.081 351 L CA 1.483 56.283 54.840 -0.068 0.000 0.752 351 L CB -0.852 41.092 42.059 -0.192 0.000 0.896 351 L HN 0.598 nan 8.230 nan 0.000 0.433 352 G N -1.985 106.786 108.800 -0.048 0.000 2.408 352 G HA2 -0.062 3.897 3.960 -0.002 0.000 0.682 352 G HA3 -0.062 3.897 3.960 -0.002 0.000 0.682 352 G C -0.463 174.431 174.900 -0.010 0.000 1.303 352 G CA -0.529 44.591 45.100 0.033 0.000 0.966 352 G HN 0.040 nan 8.290 nan 0.000 0.560 353 K N -0.955 119.374 120.400 -0.118 0.000 3.071 353 K HA -0.172 4.147 4.320 -0.002 0.000 0.262 353 K C 1.430 177.912 176.600 -0.196 0.000 0.977 353 K CA 1.664 57.803 56.287 -0.247 0.000 0.721 353 K CB -1.633 30.501 32.500 -0.610 0.000 1.293 353 K HN 2.706 nan 8.250 nan 0.000 0.475 354 G N 1.264 109.952 108.800 -0.188 0.000 2.296 354 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.282 354 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.282 354 G C -0.210 174.514 174.900 -0.294 0.000 1.014 354 G CA 0.688 45.685 45.100 -0.172 0.000 0.812 354 G HN 0.616 nan 8.290 nan 0.000 0.508 355 D N -0.184 119.965 120.400 -0.418 0.000 2.313 355 D HA 0.575 5.214 4.640 -0.002 0.000 0.239 355 D C -0.162 175.816 176.300 -0.537 0.000 1.142 355 D CA -0.464 53.371 54.000 -0.274 0.000 0.847 355 D CB 0.093 40.889 40.800 -0.007 0.000 1.082 355 D HN 0.079 nan 8.370 nan 0.000 0.480 356 F N 3.350 123.292 119.950 -0.013 0.000 2.551 356 F HA 0.572 5.098 4.527 -0.002 0.000 0.316 356 F C 0.533 176.313 175.800 -0.033 0.000 1.089 356 F CA -0.912 57.103 58.000 0.025 0.000 0.915 356 F CB 1.784 40.826 39.000 0.071 0.000 1.186 356 F HN 0.233 nan 8.300 nan 0.000 0.456 357 R N 2.160 122.749 120.500 0.149 0.000 2.692 357 R HA 0.744 5.083 4.340 -0.002 0.000 0.269 357 R C -2.111 174.245 176.300 0.094 0.000 1.030 357 R CA -0.965 55.033 56.100 -0.170 0.000 0.882 357 R CB 1.935 31.833 30.300 -0.669 0.000 1.250 357 R HN 0.596 nan 8.270 nan 0.000 0.465 358 I N 1.641 122.159 120.570 -0.087 0.000 2.493 358 I HA 0.373 4.542 4.170 -0.002 0.000 0.298 358 I C -0.976 175.211 176.117 0.116 0.000 0.998 358 I CA -1.388 60.009 61.300 0.163 0.000 1.137 358 I CB 2.146 40.241 38.000 0.158 0.000 1.310 358 I HN 0.468 nan 8.210 nan 0.000 0.445 359 L N 7.500 128.858 121.223 0.225 0.000 2.316 359 L HA 0.675 5.014 4.340 -0.002 0.000 0.280 359 L C -1.011 175.909 176.870 0.083 0.000 1.006 359 L CA -0.050 54.810 54.840 0.033 0.000 0.836 359 L CB 1.104 43.077 42.059 -0.143 0.000 1.221 359 L HN 0.687 nan 8.230 nan 0.000 0.418 360 M N 5.416 125.044 119.600 0.045 0.000 2.274 360 M HA 0.286 4.765 4.480 -0.002 0.000 0.272 360 M C -1.119 175.240 176.300 0.099 0.000 1.053 360 M CA -0.412 54.960 55.300 0.120 0.000 0.978 360 M CB 1.536 34.297 32.600 0.270 0.000 1.836 360 M HN 0.654 nan 8.290 nan 0.000 0.484 361 c N 2.956 121.597 118.600 0.068 0.000 3.585 361 c HA 0.161 4.730 4.570 -0.002 0.000 0.575 361 c C 0.648 174.798 174.090 0.100 0.000 1.068 361 c CA -0.372 55.992 56.329 0.059 0.000 1.113 361 c CB -2.438 40.087 42.510 0.025 0.000 1.381 361 c HN 0.725 nan 8.230 nan 0.000 0.635 362 T N 3.378 118.030 114.554 0.163 0.000 2.792 362 T HA 0.028 4.377 4.350 -0.002 0.000 0.286 362 T C 0.417 175.209 174.700 0.154 0.000 0.970 362 T CA 0.617 62.840 62.100 0.204 0.000 1.187 362 T CB 0.157 69.228 68.868 0.338 0.000 0.915 362 T HN 0.427 nan 8.240 nan 0.000 0.529 363 K N 2.597 123.073 120.400 0.126 0.000 2.138 363 K HA 0.345 4.664 4.320 -0.002 0.000 0.263 363 K C -0.149 176.525 176.600 0.124 0.000 0.965 363 K CA -1.016 55.335 56.287 0.106 0.000 0.868 363 K CB 1.835 34.380 32.500 0.075 0.000 1.083 363 K HN 0.286 nan 8.250 nan 0.000 0.443 364 V N 3.716 123.705 119.914 0.125 0.000 2.054 364 V HA 0.041 4.160 4.120 -0.002 0.000 0.243 364 V C 0.115 176.267 176.094 0.096 0.000 1.480 364 V CA 0.275 62.661 62.300 0.144 0.000 1.440 364 V CB -1.339 30.575 31.823 0.151 0.000 1.489 364 V HN 0.638 nan 8.190 nan 0.000 0.502 365 T N 2.169 116.780 114.554 0.095 0.000 2.926 365 T HA 0.367 4.716 4.350 -0.002 0.000 0.289 365 T C 0.907 175.645 174.700 0.063 0.000 1.054 365 T CA -0.631 61.502 62.100 0.054 0.000 1.015 365 T CB 2.328 71.225 68.868 0.049 0.000 1.167 365 T HN 0.337 nan 8.240 nan 0.000 0.526 366 M N 0.480 120.086 119.600 0.010 0.000 2.200 366 M HA -0.066 4.413 4.480 -0.002 0.000 0.265 366 M C 1.051 177.402 176.300 0.085 0.000 1.066 366 M CA 1.817 57.123 55.300 0.010 0.000 1.127 366 M CB -0.349 32.203 32.600 -0.080 0.000 1.379 366 M HN 0.645 nan 8.290 nan 0.000 0.420 367 D N 0.545 120.965 120.400 0.033 0.000 2.123 367 D HA -0.206 4.432 4.640 -0.002 0.000 0.196 367 D C 1.320 177.642 176.300 0.036 0.000 0.992 367 D CA 1.660 55.665 54.000 0.007 0.000 0.833 367 D CB -0.215 40.575 40.800 -0.018 0.000 0.954 367 D HN 0.400 nan 8.370 nan 0.000 0.455 368 D N -1.074 119.371 120.400 0.075 0.000 2.183 368 D HA -0.074 4.565 4.640 -0.002 0.000 0.203 368 D C 1.449 177.808 176.300 0.098 0.000 0.969 368 D CA 0.304 54.354 54.000 0.084 0.000 0.842 368 D CB -0.123 40.739 40.800 0.104 0.000 0.957 368 D HN 0.176 nan 8.370 nan 0.000 0.484 369 F N 0.780 120.732 119.950 0.003 0.000 2.146 369 F HA -0.056 4.470 4.527 -0.002 0.000 0.298 369 F C 1.702 177.513 175.800 0.018 0.000 1.096 369 F CA 1.145 59.163 58.000 0.030 0.000 1.275 369 F CB -0.142 38.882 39.000 0.041 0.000 1.008 369 F HN -0.093 nan 8.300 nan 0.000 0.480 370 L N -0.583 120.683 121.223 0.072 0.000 2.056 370 L HA -0.178 4.161 4.340 -0.002 0.000 0.207 370 L C 2.456 179.292 176.870 -0.058 0.000 1.078 370 L CA 1.662 56.440 54.840 -0.103 0.000 0.749 370 L CB -1.284 40.767 42.059 -0.013 0.000 0.901 370 L HN 0.138 nan 8.230 nan 0.000 0.433 371 T N -0.059 114.487 114.554 -0.013 0.000 2.759 371 T HA -0.168 4.181 4.350 -0.002 0.000 0.269 371 T C 1.959 176.713 174.700 0.090 0.000 1.042 371 T CA 1.340 63.459 62.100 0.030 0.000 1.140 371 T CB -0.073 68.800 68.868 0.009 0.000 0.864 371 T HN 0.452 nan 8.240 nan 0.000 0.455 372 A N 0.655 123.451 122.820 -0.041 0.000 1.908 372 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 372 A C 1.931 179.490 177.584 -0.041 0.000 1.181 372 A CA 2.021 53.941 52.037 -0.196 0.000 0.627 372 A CB -0.846 17.686 19.000 -0.780 0.000 0.818 372 A HN 0.569 nan 8.150 nan 0.000 0.445 373 H N -1.860 117.080 119.070 -0.218 0.000 2.321 373 H HA -0.110 4.445 4.556 -0.002 0.000 0.300 373 H C 1.966 177.347 175.328 0.089 0.000 1.087 373 H CA 1.795 57.761 56.048 -0.136 0.000 1.319 373 H CB -0.574 28.916 29.762 -0.453 0.000 1.379 373 H HN 0.834 nan 8.280 nan 0.000 0.501 374 H N 0.570 119.699 119.070 0.098 0.000 2.290 374 H HA -0.134 4.421 4.556 -0.002 0.000 0.298 374 H C 1.941 177.378 175.328 0.180 0.000 1.087 374 H CA 1.767 57.868 56.048 0.088 0.000 1.291 374 H CB 0.326 30.125 29.762 0.062 0.000 1.369 374 H HN 0.177 nan 8.280 nan 0.000 0.492 375 E N 0.498 120.989 120.200 0.484 0.000 2.038 375 E HA -0.237 4.112 4.350 -0.002 0.000 0.195 375 E C 2.409 179.214 176.600 0.342 0.000 1.000 375 E CA 1.473 58.172 56.400 0.498 0.000 0.803 375 E CB -0.601 29.376 29.700 0.461 0.000 0.750 375 E HN 0.606 nan 8.360 nan 0.000 0.448 376 M N 0.210 119.973 119.600 0.272 0.000 2.358 376 M HA -0.074 4.405 4.480 -0.002 0.000 0.264 376 M C 1.875 178.063 176.300 -0.186 0.000 1.064 376 M CA 1.581 56.935 55.300 0.090 0.000 1.093 376 M CB -0.153 32.544 32.600 0.162 0.000 1.401 376 M HN 0.125 nan 8.290 nan 0.000 0.440 377 G N -0.359 108.423 108.800 -0.029 0.000 2.433 377 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 377 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 377 G C 1.217 176.011 174.900 -0.176 0.000 1.186 377 G CA 0.844 45.833 45.100 -0.186 0.000 0.779 377 G HN 0.506 nan 8.290 nan 0.000 0.543 378 H N 0.512 119.594 119.070 0.018 0.000 2.321 378 H HA -0.100 4.455 4.556 -0.002 0.000 0.295 378 H C 2.758 178.152 175.328 0.110 0.000 1.102 378 H CA 1.456 57.635 56.048 0.218 0.000 1.266 378 H CB -0.210 29.691 29.762 0.230 0.000 1.363 378 H HN 0.175 nan 8.280 nan 0.000 0.492 379 I N 0.929 121.561 120.570 0.103 0.000 2.208 379 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 379 I C 2.562 178.473 176.117 -0.343 0.000 1.097 379 I CA 1.144 62.390 61.300 -0.089 0.000 1.363 379 I CB -0.993 36.929 38.000 -0.130 0.000 1.051 379 I HN 0.212 nan 8.210 nan 0.000 0.413 380 Q N 0.062 119.619 119.800 -0.405 0.000 2.050 380 Q HA -0.222 4.117 4.340 -0.002 0.000 0.202 380 Q C 2.318 178.153 176.000 -0.276 0.000 0.980 380 Q CA 1.682 57.213 55.803 -0.452 0.000 0.840 380 Q CB -0.521 27.833 28.738 -0.640 0.000 0.898 380 Q HN 0.561 nan 8.270 nan 0.000 0.424 381 Y N 0.385 120.462 120.300 -0.371 0.000 2.097 381 Y HA -0.326 4.223 4.550 -0.002 0.000 0.282 381 Y C 1.637 177.107 175.900 -0.717 0.000 1.152 381 Y CA 1.121 58.962 58.100 -0.432 0.000 1.136 381 Y CB 0.074 38.243 38.460 -0.486 0.000 0.975 381 Y HN 0.240 nan 8.280 nan 0.000 0.498 382 D N 0.209 120.342 120.400 -0.445 0.000 2.158 382 D HA -0.256 4.383 4.640 -0.002 0.000 0.197 382 D C 2.088 178.117 176.300 -0.453 0.000 0.995 382 D CA 1.811 55.433 54.000 -0.631 0.000 0.846 382 D CB -0.335 40.511 40.800 0.077 0.000 0.941 382 D HN 0.484 nan 8.370 nan 0.000 0.456 383 M N 0.440 119.730 119.600 -0.517 0.000 2.064 383 M HA -0.081 4.398 4.480 -0.002 0.000 0.260 383 M C 2.456 178.661 176.300 -0.158 0.000 1.073 383 M CA 1.363 56.412 55.300 -0.419 0.000 1.124 383 M CB -0.326 31.919 32.600 -0.590 0.000 1.326 383 M HN -0.034 nan 8.290 nan 0.000 0.410 384 A N 0.442 123.180 122.820 -0.135 0.000 1.997 384 A HA -0.220 4.099 4.320 -0.002 0.000 0.221 384 A C 1.703 179.264 177.584 -0.039 0.000 1.172 384 A CA 1.867 53.894 52.037 -0.017 0.000 0.645 384 A CB -1.278 17.626 19.000 -0.161 0.000 0.813 384 A HN 0.806 nan 8.150 nan 0.000 0.454 385 Y N -4.069 116.241 120.300 0.017 0.000 2.607 385 Y HA 0.691 5.240 4.550 -0.002 0.000 0.266 385 Y C 1.700 177.615 175.900 0.025 0.000 1.178 385 Y CA 0.037 58.132 58.100 -0.007 0.000 1.226 385 Y CB -0.240 38.201 38.460 -0.030 0.000 1.144 385 Y HN 0.146 nan 8.280 nan 0.000 0.528 386 A N 1.129 124.097 122.820 0.247 0.000 2.121 386 A HA 0.080 4.399 4.320 -0.002 0.000 0.218 386 A C 2.245 179.921 177.584 0.153 0.000 1.154 386 A CA 1.185 53.362 52.037 0.233 0.000 0.679 386 A CB -0.697 18.448 19.000 0.242 0.000 0.795 386 A HN 0.666 nan 8.150 nan 0.000 0.458 387 A N -1.003 121.895 122.820 0.129 0.000 2.067 387 A HA 0.009 4.328 4.320 -0.002 0.000 0.219 387 A C 1.209 178.831 177.584 0.064 0.000 1.158 387 A CA 0.433 52.520 52.037 0.085 0.000 0.661 387 A CB -0.169 18.877 19.000 0.077 0.000 0.801 387 A HN 0.501 nan 8.150 nan 0.000 0.452 388 Q N 0.695 120.540 119.800 0.074 0.000 2.352 388 Q HA 0.222 4.561 4.340 -0.002 0.000 0.260 388 Q C -2.437 173.578 176.000 0.025 0.000 0.976 388 Q CA -2.179 53.641 55.803 0.028 0.000 0.881 388 Q CB 0.158 28.887 28.738 -0.014 0.000 1.235 388 Q HN 0.269 nan 8.270 nan 0.000 0.419 389 P HA -0.122 nan 4.420 nan 0.000 0.262 389 P C 0.618 177.970 177.300 0.087 0.000 1.182 389 P CA 0.189 63.317 63.100 0.047 0.000 0.761 389 P CB 0.254 31.977 31.700 0.038 0.000 0.795 390 F N 4.123 124.061 119.950 -0.019 0.000 2.094 390 F HA -0.289 4.236 4.527 -0.002 0.000 0.296 390 F C 1.761 177.592 175.800 0.052 0.000 1.070 390 F CA 1.834 59.839 58.000 0.007 0.000 1.255 390 F CB -0.439 38.550 39.000 -0.019 0.000 1.000 390 F HN 0.214 nan 8.300 nan 0.000 0.490 391 L N -0.764 120.558 121.223 0.166 0.000 2.478 391 L HA -0.113 4.226 4.340 -0.002 0.000 0.223 391 L C 1.413 178.233 176.870 -0.083 0.000 1.140 391 L CA 0.100 54.991 54.840 0.084 0.000 0.842 391 L CB -0.222 41.966 42.059 0.215 0.000 0.953 391 L HN 0.198 nan 8.230 nan 0.000 0.452 392 L N -1.041 120.111 121.223 -0.120 0.000 2.640 392 L HA 0.125 4.464 4.340 -0.002 0.000 0.230 392 L C 1.055 177.710 176.870 -0.358 0.000 1.123 392 L CA 0.520 55.248 54.840 -0.186 0.000 0.900 392 L CB -0.159 41.826 42.059 -0.123 0.000 1.146 392 L HN -0.031 nan 8.230 nan 0.000 0.484 393 R N 1.656 121.914 120.500 -0.402 0.000 2.605 393 R HA 0.188 4.527 4.340 -0.002 0.000 0.271 393 R C -0.352 175.416 176.300 -0.887 0.000 1.418 393 R CA 0.113 55.830 56.100 -0.638 0.000 1.102 393 R CB -0.447 29.698 30.300 -0.258 0.000 1.131 393 R HN 0.151 nan 8.270 nan 0.000 0.554 394 N N 0.026 117.927 118.700 -1.332 0.000 3.265 394 N HA 0.096 4.835 4.740 -0.002 0.000 0.235 394 N C -0.849 174.255 175.510 -0.676 0.000 1.343 394 N CA -0.365 52.209 53.050 -0.794 0.000 0.904 394 N CB 1.470 39.734 38.487 -0.371 0.000 1.492 394 N HN 0.463 nan 8.380 nan 0.000 0.504 395 G N 0.290 108.932 108.800 -0.262 0.000 2.554 395 G HA2 0.387 4.346 3.960 -0.002 0.000 0.238 395 G HA3 0.387 4.346 3.960 -0.002 0.000 0.238 395 G C 1.163 175.967 174.900 -0.161 0.000 1.259 395 G CA 0.451 45.426 45.100 -0.208 0.000 0.843 395 G HN 0.708 nan 8.290 nan 0.000 0.582 396 A N 2.120 124.780 122.820 -0.267 0.000 1.869 396 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 396 A C 1.383 178.762 177.584 -0.341 0.000 1.203 396 A CA 2.262 53.971 52.037 -0.547 0.000 0.638 396 A CB -0.658 17.481 19.000 -1.435 0.000 0.831 396 A HN 1.083 nan 8.150 nan 0.000 0.450 397 N N -2.432 116.097 118.700 -0.285 0.000 2.697 397 N HA 0.296 5.035 4.740 -0.002 0.000 0.272 397 N C -0.011 175.466 175.510 -0.056 0.000 1.381 397 N CA -0.093 52.824 53.050 -0.222 0.000 0.797 397 N CB 0.432 38.601 38.487 -0.530 0.000 1.523 397 N HN 0.351 nan 8.380 nan 0.000 0.518 398 E N -1.618 118.457 120.200 -0.208 0.000 2.393 398 E HA -0.117 4.232 4.350 -0.002 0.000 0.201 398 E C 0.928 177.574 176.600 0.075 0.000 1.025 398 E CA 1.418 57.771 56.400 -0.079 0.000 0.856 398 E CB -0.552 29.047 29.700 -0.169 0.000 0.771 398 E HN 0.714 nan 8.360 nan 0.000 0.526 399 G N -0.895 108.029 108.800 0.207 0.000 3.126 399 G HA2 0.053 4.012 3.960 -0.002 0.000 0.224 399 G HA3 0.053 4.012 3.960 -0.002 0.000 0.224 399 G C 0.752 175.929 174.900 0.462 0.000 1.142 399 G CA -0.355 44.946 45.100 0.335 0.000 0.759 399 G HN 0.117 nan 8.290 nan 0.000 0.550 400 F N 0.560 120.679 119.950 0.281 0.000 2.098 400 F HA 0.096 4.622 4.527 -0.002 0.000 0.294 400 F C 2.628 178.627 175.800 0.331 0.000 1.107 400 F CA 1.001 59.190 58.000 0.315 0.000 1.234 400 F CB -0.342 38.833 39.000 0.293 0.000 1.002 400 F HN 0.153 nan 8.300 nan 0.000 0.472 401 H N 0.189 119.582 119.070 0.538 0.000 2.319 401 H HA -0.141 4.414 4.556 -0.002 0.000 0.299 401 H C 2.196 177.617 175.328 0.155 0.000 1.092 401 H CA 1.794 58.120 56.048 0.464 0.000 1.302 401 H CB -0.087 29.965 29.762 0.485 0.000 1.373 401 H HN 0.190 nan 8.280 nan 0.000 0.497 402 E N 0.387 120.858 120.200 0.451 0.000 2.085 402 E HA -0.114 4.235 4.350 -0.002 0.000 0.194 402 E C 2.360 179.035 176.600 0.126 0.000 0.994 402 E CA 0.874 57.483 56.400 0.349 0.000 0.801 402 E CB -0.263 29.639 29.700 0.337 0.000 0.743 402 E HN 0.439 nan 8.360 nan 0.000 0.453 403 A N 0.790 123.683 122.820 0.122 0.000 1.898 403 A HA -0.118 4.200 4.320 -0.002 0.000 0.216 403 A C 2.597 180.124 177.584 -0.096 0.000 1.181 403 A CA 1.290 53.370 52.037 0.071 0.000 0.620 403 A CB -0.595 18.551 19.000 0.242 0.000 0.819 403 A HN 0.140 nan 8.150 nan 0.000 0.442 404 V N -0.137 119.644 119.914 -0.220 0.000 2.407 404 V HA -0.164 3.955 4.120 -0.002 0.000 0.248 404 V C 2.736 178.624 176.094 -0.345 0.000 1.055 404 V CA 1.882 63.965 62.300 -0.362 0.000 1.049 404 V CB -1.170 30.370 31.823 -0.471 0.000 0.662 404 V HN 0.624 nan 8.190 nan 0.000 0.455 405 G N -0.877 107.580 108.800 -0.571 0.000 2.408 405 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.217 405 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.217 405 G C 1.470 176.148 174.900 -0.371 0.000 1.150 405 G CA 0.386 44.977 45.100 -0.848 0.000 0.776 405 G HN 0.451 nan 8.290 nan 0.000 0.542 406 E N 0.253 120.354 120.200 -0.164 0.000 2.285 406 E HA 0.021 4.370 4.350 -0.002 0.000 0.194 406 E C 2.468 178.992 176.600 -0.127 0.000 0.997 406 E CA -0.059 56.337 56.400 -0.007 0.000 0.845 406 E CB -0.012 29.691 29.700 0.004 0.000 0.782 406 E HN 0.284 nan 8.360 nan 0.000 0.491 407 I N 0.980 121.466 120.570 -0.140 0.000 2.226 407 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 407 I C 2.025 178.082 176.117 -0.101 0.000 1.100 407 I CA 1.045 62.272 61.300 -0.122 0.000 1.374 407 I CB -0.579 37.359 38.000 -0.102 0.000 1.057 407 I HN 0.110 nan 8.210 nan 0.000 0.413 408 M N -0.335 119.213 119.600 -0.086 0.000 2.099 408 M HA -0.084 4.395 4.480 -0.002 0.000 0.262 408 M C 2.454 178.554 176.300 -0.335 0.000 1.067 408 M CA 1.223 56.425 55.300 -0.163 0.000 1.124 408 M CB -1.707 30.888 32.600 -0.008 0.000 1.353 408 M HN 0.056 nan 8.290 nan 0.000 0.410 409 S N 1.034 116.616 115.700 -0.197 0.000 2.400 409 S HA -0.110 4.359 4.470 -0.002 0.000 0.232 409 S C 1.903 176.390 174.600 -0.188 0.000 1.025 409 S CA 0.907 58.985 58.200 -0.204 0.000 0.993 409 S CB -0.281 62.867 63.200 -0.086 0.000 0.808 409 S HN 0.229 nan 8.310 nan 0.000 0.478 410 L N 1.332 122.461 121.223 -0.156 0.000 2.027 410 L HA 0.009 4.348 4.340 -0.002 0.000 0.206 410 L C 2.421 179.260 176.870 -0.052 0.000 1.074 410 L CA 1.679 56.481 54.840 -0.064 0.000 0.745 410 L CB -1.197 40.801 42.059 -0.101 0.000 0.898 410 L HN 0.184 nan 8.230 nan 0.000 0.433 411 S N -0.696 114.900 115.700 -0.173 0.000 2.387 411 S HA -0.055 4.414 4.470 -0.002 0.000 0.226 411 S C 2.001 176.330 174.600 -0.452 0.000 1.026 411 S CA 0.893 58.965 58.200 -0.212 0.000 0.972 411 S CB -0.333 62.797 63.200 -0.115 0.000 0.814 411 S HN 0.505 nan 8.310 nan 0.000 0.477 412 A N 1.108 123.492 122.820 -0.726 0.000 2.066 412 A HA 0.348 4.667 4.320 -0.002 0.000 0.218 412 A C 2.170 179.633 177.584 -0.202 0.000 1.157 412 A CA 1.242 52.727 52.037 -0.920 0.000 0.670 412 A CB -0.605 17.656 19.000 -1.231 0.000 0.804 412 A HN 0.478 nan 8.150 nan 0.000 0.453 413 A N 0.048 122.814 122.820 -0.090 0.000 1.970 413 A HA 0.167 4.486 4.320 -0.002 0.000 0.216 413 A C 1.642 179.289 177.584 0.104 0.000 1.170 413 A CA 1.217 53.317 52.037 0.104 0.000 0.645 413 A CB -1.365 17.762 19.000 0.212 0.000 0.816 413 A HN 0.742 nan 8.150 nan 0.000 0.447 414 T N -1.462 113.071 114.554 -0.035 0.000 2.939 414 T HA 0.118 4.467 4.350 -0.002 0.000 0.312 414 T C -1.458 173.077 174.700 -0.276 0.000 1.064 414 T CA -0.259 61.625 62.100 -0.360 0.000 1.136 414 T CB 0.412 69.132 68.868 -0.248 0.000 1.035 414 T HN 0.084 nan 8.240 nan 0.000 0.538 415 P HA -0.086 nan 4.420 nan 0.000 0.218 415 P C 1.523 178.707 177.300 -0.194 0.000 1.148 415 P CA 1.125 64.043 63.100 -0.303 0.000 0.822 415 P CB 0.062 31.608 31.700 -0.257 0.000 0.784 416 K N -0.787 119.535 120.400 -0.130 0.000 2.026 416 K HA -0.255 4.064 4.320 -0.002 0.000 0.208 416 K C 2.193 178.779 176.600 -0.023 0.000 1.048 416 K CA 1.602 57.857 56.287 -0.053 0.000 0.929 416 K CB -0.633 31.844 32.500 -0.038 0.000 0.713 416 K HN 0.094 nan 8.250 nan 0.000 0.439 417 H N -0.129 118.887 119.070 -0.090 0.000 2.321 417 H HA -0.074 4.481 4.556 -0.002 0.000 0.300 417 H C 1.740 177.031 175.328 -0.061 0.000 1.087 417 H CA 1.769 57.792 56.048 -0.041 0.000 1.319 417 H CB -0.078 29.662 29.762 -0.037 0.000 1.379 417 H HN 0.117 nan 8.280 nan 0.000 0.501 418 L N 1.058 122.246 121.223 -0.058 0.000 2.081 418 L HA -0.181 4.158 4.340 -0.002 0.000 0.212 418 L C 2.224 178.965 176.870 -0.214 0.000 1.080 418 L CA 1.685 56.412 54.840 -0.189 0.000 0.754 418 L CB -0.700 41.204 42.059 -0.258 0.000 0.893 418 L HN 0.303 nan 8.230 nan 0.000 0.433 419 K N -1.383 118.908 120.400 -0.182 0.000 2.025 419 K HA -0.137 4.182 4.320 -0.002 0.000 0.207 419 K C 2.336 178.872 176.600 -0.106 0.000 1.049 419 K CA 1.445 57.651 56.287 -0.135 0.000 0.933 419 K CB -0.346 32.108 32.500 -0.078 0.000 0.714 419 K HN 0.269 nan 8.250 nan 0.000 0.438 420 S N 1.510 117.138 115.700 -0.120 0.000 2.365 420 S HA -0.169 4.300 4.470 -0.002 0.000 0.225 420 S C 2.011 176.544 174.600 -0.111 0.000 1.039 420 S CA 1.279 59.410 58.200 -0.117 0.000 1.033 420 S CB -0.357 62.750 63.200 -0.155 0.000 0.887 420 S HN 0.232 nan 8.310 nan 0.000 0.447 421 I N 0.770 121.242 120.570 -0.164 0.000 2.264 421 I HA -0.002 4.167 4.170 -0.002 0.000 0.248 421 I C 1.932 178.081 176.117 0.055 0.000 1.111 421 I CA 0.976 62.268 61.300 -0.013 0.000 1.382 421 I CB -0.752 37.277 38.000 0.049 0.000 1.060 421 I HN 0.621 nan 8.210 nan 0.000 0.418 422 G N 0.568 109.345 108.800 -0.038 0.000 2.135 422 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.183 422 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.183 422 G C 0.523 175.358 174.900 -0.109 0.000 1.004 422 G CA -0.193 44.889 45.100 -0.030 0.000 0.677 422 G HN 0.309 nan 8.290 nan 0.000 0.512 423 L N -1.191 119.894 121.223 -0.231 0.000 2.585 423 L HA 0.483 4.822 4.340 -0.002 0.000 0.226 423 L C 0.600 177.285 176.870 -0.309 0.000 1.113 423 L CA 0.247 54.858 54.840 -0.380 0.000 0.876 423 L CB 0.298 42.013 42.059 -0.574 0.000 1.072 423 L HN 0.239 nan 8.230 nan 0.000 0.468 424 L N -1.124 119.946 121.223 -0.255 0.000 2.408 424 L HA 0.319 4.658 4.340 -0.002 0.000 0.268 424 L C 0.185 176.964 176.870 -0.152 0.000 0.986 424 L CA -0.200 54.477 54.840 -0.270 0.000 0.820 424 L CB 2.047 43.848 42.059 -0.429 0.000 1.303 424 L HN -0.230 nan 8.230 nan 0.000 0.411 425 S N 5.463 121.116 115.700 -0.078 0.000 2.626 425 S HA 0.079 4.548 4.470 -0.002 0.000 0.303 425 S C -1.300 173.318 174.600 0.030 0.000 1.256 425 S CA -0.502 57.699 58.200 0.002 0.000 1.069 425 S CB 0.409 63.643 63.200 0.057 0.000 0.807 425 S HN 0.567 nan 8.310 nan 0.000 0.500 426 P HA -0.169 nan 4.420 nan 0.000 0.219 426 P C 0.610 177.938 177.300 0.045 0.000 1.145 426 P CA 1.215 64.327 63.100 0.020 0.000 0.813 426 P CB 0.065 31.771 31.700 0.010 0.000 0.771 427 D N -0.566 119.870 120.400 0.060 0.000 1.913 427 D HA -0.028 4.611 4.640 -0.002 0.000 0.280 427 D C 0.601 176.983 176.300 0.137 0.000 1.012 427 D CA 0.009 54.048 54.000 0.064 0.000 0.892 427 D CB -0.855 39.972 40.800 0.045 0.000 1.119 427 D HN 0.031 nan 8.370 nan 0.000 0.434 428 F N 1.546 121.475 119.950 -0.035 0.000 2.081 428 F HA -0.239 4.287 4.527 -0.002 0.000 0.239 428 F C 0.054 175.830 175.800 -0.041 0.000 1.035 428 F CA -0.213 57.764 58.000 -0.039 0.000 0.902 428 F CB -0.357 38.615 39.000 -0.046 0.000 1.221 428 F HN 0.057 nan 8.300 nan 0.000 0.763 429 Q N 5.941 125.425 119.800 -0.526 0.000 2.294 429 Q HA 0.223 4.562 4.340 -0.002 0.000 0.257 429 Q C -0.495 175.112 176.000 -0.655 0.000 0.955 429 Q CA -0.485 55.065 55.803 -0.422 0.000 0.936 429 Q CB 0.928 29.512 28.738 -0.256 0.000 1.188 429 Q HN 0.726 nan 8.270 nan 0.000 0.420 430 E N 3.553 123.542 120.200 -0.353 0.000 1.858 430 E HA 0.022 4.371 4.350 -0.002 0.000 0.267 430 E C -0.598 175.902 176.600 -0.166 0.000 1.215 430 E CA -0.081 56.199 56.400 -0.202 0.000 0.952 430 E CB 0.113 29.823 29.700 0.018 0.000 1.058 430 E HN 0.620 nan 8.360 nan 0.000 0.407 431 D N 1.360 121.632 120.400 -0.213 0.000 2.506 431 D HA -0.039 4.599 4.640 -0.002 0.000 0.272 431 D C 0.892 177.125 176.300 -0.112 0.000 1.214 431 D CA -0.724 53.183 54.000 -0.155 0.000 1.067 431 D CB 0.447 41.135 40.800 -0.187 0.000 1.117 431 D HN 0.200 nan 8.370 nan 0.000 0.578 432 N N -0.519 118.113 118.700 -0.113 0.000 2.521 432 N HA -0.099 4.640 4.740 -0.002 0.000 0.188 432 N C 0.448 175.861 175.510 -0.163 0.000 1.146 432 N CA 0.315 53.308 53.050 -0.094 0.000 0.893 432 N CB 0.033 38.485 38.487 -0.059 0.000 0.975 432 N HN 0.560 nan 8.380 nan 0.000 0.451 433 E N 0.569 120.610 120.200 -0.265 0.000 2.251 433 E HA -0.056 4.293 4.350 -0.002 0.000 0.194 433 E C 1.781 178.313 176.600 -0.114 0.000 0.964 433 E CA 1.125 57.255 56.400 -0.451 0.000 0.868 433 E CB 0.078 29.235 29.700 -0.904 0.000 0.828 433 E HN 0.521 nan 8.360 nan 0.000 0.481 434 T N -0.328 114.200 114.554 -0.042 0.000 2.867 434 T HA -0.165 4.184 4.350 -0.002 0.000 0.268 434 T C 1.888 176.687 174.700 0.165 0.000 1.057 434 T CA 1.280 63.455 62.100 0.124 0.000 1.136 434 T CB -0.055 68.927 68.868 0.189 0.000 0.874 434 T HN 0.121 nan 8.240 nan 0.000 0.466 435 E N 0.383 120.637 120.200 0.090 0.000 2.072 435 E HA -0.113 4.236 4.350 -0.002 0.000 0.191 435 E C 1.991 178.624 176.600 0.056 0.000 0.985 435 E CA 0.989 57.459 56.400 0.116 0.000 0.801 435 E CB -0.190 29.557 29.700 0.077 0.000 0.750 435 E HN 0.482 nan 8.360 nan 0.000 0.452 436 I N 2.167 122.708 120.570 -0.047 0.000 2.202 436 I HA -0.263 3.906 4.170 -0.002 0.000 0.242 436 I C 2.084 178.152 176.117 -0.081 0.000 1.091 436 I CA 0.980 62.155 61.300 -0.208 0.000 1.368 436 I CB -0.693 36.973 38.000 -0.558 0.000 1.058 436 I HN 0.130 nan 8.210 nan 0.000 0.410 437 N N 0.221 118.983 118.700 0.102 0.000 2.060 437 N HA -0.278 4.461 4.740 -0.002 0.000 0.195 437 N C 1.960 177.616 175.510 0.243 0.000 1.028 437 N CA 1.636 54.824 53.050 0.230 0.000 0.861 437 N CB -0.726 37.962 38.487 0.333 0.000 1.029 437 N HN 0.414 nan 8.380 nan 0.000 0.428 438 F N 0.802 120.800 119.950 0.080 0.000 2.146 438 F HA -0.093 4.433 4.527 -0.002 0.000 0.298 438 F C 1.974 177.815 175.800 0.068 0.000 1.096 438 F CA 0.696 58.725 58.000 0.049 0.000 1.275 438 F CB -0.090 38.942 39.000 0.054 0.000 1.008 438 F HN -0.083 nan 8.300 nan 0.000 0.480 439 L N 0.247 121.460 121.223 -0.016 0.000 2.056 439 L HA -0.180 4.159 4.340 -0.002 0.000 0.207 439 L C 2.368 179.283 176.870 0.075 0.000 1.078 439 L CA 1.235 56.041 54.840 -0.056 0.000 0.749 439 L CB -1.354 40.673 42.059 -0.053 0.000 0.901 439 L HN 0.267 nan 8.230 nan 0.000 0.433 440 L N 0.140 121.390 121.223 0.045 0.000 2.043 440 L HA -0.274 4.065 4.340 -0.002 0.000 0.212 440 L C 2.475 179.448 176.870 0.172 0.000 1.075 440 L CA 2.202 57.112 54.840 0.116 0.000 0.752 440 L CB -0.696 41.425 42.059 0.103 0.000 0.891 440 L HN 0.441 nan 8.230 nan 0.000 0.432 441 K N -1.039 119.411 120.400 0.084 0.000 2.155 441 K HA -0.141 4.178 4.320 -0.002 0.000 0.203 441 K C 1.978 178.526 176.600 -0.086 0.000 1.052 441 K CA 0.809 57.058 56.287 -0.064 0.000 0.948 441 K CB 0.059 32.228 32.500 -0.551 0.000 0.728 441 K HN 0.327 nan 8.250 nan 0.000 0.448 442 Q N 0.305 120.031 119.800 -0.125 0.000 2.079 442 Q HA -0.055 4.284 4.340 -0.002 0.000 0.200 442 Q C 2.240 178.361 176.000 0.201 0.000 0.974 442 Q CA 1.486 57.290 55.803 0.002 0.000 0.840 442 Q CB -0.273 28.447 28.738 -0.029 0.000 0.898 442 Q HN 0.463 nan 8.270 nan 0.000 0.430 443 A N 1.058 124.004 122.820 0.211 0.000 1.908 443 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 443 A C 2.127 179.683 177.584 -0.046 0.000 1.181 443 A CA 1.171 53.110 52.037 -0.162 0.000 0.627 443 A CB -0.625 18.235 19.000 -0.233 0.000 0.818 443 A HN 0.257 nan 8.150 nan 0.000 0.445 444 L N -0.168 121.116 121.223 0.102 0.000 2.051 444 L HA -0.183 4.156 4.340 -0.002 0.000 0.214 444 L C 2.686 179.636 176.870 0.133 0.000 1.076 444 L CA 2.518 57.482 54.840 0.207 0.000 0.758 444 L CB -1.310 40.926 42.059 0.295 0.000 0.890 444 L HN 0.441 nan 8.230 nan 0.000 0.433 445 T N -0.774 113.833 114.554 0.087 0.000 2.739 445 T HA 0.001 4.350 4.350 -0.002 0.000 0.249 445 T C 1.961 176.715 174.700 0.091 0.000 1.050 445 T CA 1.209 63.358 62.100 0.082 0.000 1.165 445 T CB -0.165 68.680 68.868 -0.039 0.000 0.872 445 T HN 0.137 nan 8.240 nan 0.000 0.411 446 I N 1.265 121.869 120.570 0.056 0.000 2.099 446 I HA -0.173 3.996 4.170 -0.002 0.000 0.239 446 I C 2.544 178.633 176.117 -0.047 0.000 1.066 446 I CA 1.298 62.640 61.300 0.070 0.000 1.324 446 I CB -0.732 37.413 38.000 0.242 0.000 1.037 446 I HN 0.072 nan 8.210 nan 0.000 0.401 447 V N 1.251 121.041 119.914 -0.207 0.000 2.427 447 V HA -0.144 3.975 4.120 -0.002 0.000 0.248 447 V C 2.621 178.568 176.094 -0.244 0.000 1.051 447 V CA 1.983 64.113 62.300 -0.283 0.000 1.048 447 V CB -1.371 30.188 31.823 -0.440 0.000 0.666 447 V HN 0.593 nan 8.190 nan 0.000 0.456 448 G N -1.137 107.472 108.800 -0.319 0.000 2.448 448 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.219 448 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.219 448 G C 1.703 176.299 174.900 -0.506 0.000 1.127 448 G CA 1.523 46.224 45.100 -0.666 0.000 0.766 448 G HN 0.447 nan 8.290 nan 0.000 0.552 449 T N 0.037 114.432 114.554 -0.264 0.000 3.067 449 T HA 0.185 4.534 4.350 -0.002 0.000 0.257 449 T C 2.418 177.072 174.700 -0.077 0.000 1.105 449 T CA 0.066 62.030 62.100 -0.227 0.000 1.104 449 T CB -0.154 68.569 68.868 -0.243 0.000 0.925 449 T HN 0.198 nan 8.240 nan 0.000 0.498 450 L N 1.265 122.435 121.223 -0.088 0.000 1.971 450 L HA -0.077 4.262 4.340 -0.002 0.000 0.215 450 L C -0.500 176.448 176.870 0.130 0.000 1.072 450 L CA 1.793 56.663 54.840 0.050 0.000 0.758 450 L CB -1.557 40.510 42.059 0.013 0.000 0.889 450 L HN 0.220 nan 8.230 nan 0.000 0.433 451 P HA -0.230 nan 4.420 nan 0.000 0.214 451 P C 1.630 178.912 177.300 -0.029 0.000 1.163 451 P CA 1.363 64.437 63.100 -0.043 0.000 0.883 451 P CB -0.148 31.309 31.700 -0.405 0.000 0.788 452 F N 0.205 120.057 119.950 -0.163 0.000 2.147 452 F HA -0.249 4.277 4.527 -0.002 0.000 0.301 452 F C 1.856 177.614 175.800 -0.070 0.000 1.084 452 F CA 1.952 59.882 58.000 -0.117 0.000 1.268 452 F CB -1.071 37.867 39.000 -0.102 0.000 1.009 452 F HN -0.106 nan 8.300 nan 0.000 0.486 453 T N -0.876 113.798 114.554 0.201 0.000 2.809 453 T HA -0.183 4.166 4.350 -0.002 0.000 0.260 453 T C 1.534 176.200 174.700 -0.057 0.000 1.039 453 T CA 1.376 63.578 62.100 0.170 0.000 1.141 453 T CB -0.738 68.187 68.868 0.095 0.000 0.869 453 T HN 0.534 nan 8.240 nan 0.000 0.437 454 Y N 1.415 121.551 120.300 -0.274 0.000 2.145 454 Y HA -0.107 4.442 4.550 -0.002 0.000 0.286 454 Y C 2.472 178.085 175.900 -0.479 0.000 1.145 454 Y CA 1.405 59.176 58.100 -0.549 0.000 1.148 454 Y CB -0.265 37.610 38.460 -0.976 0.000 0.981 454 Y HN 0.033 nan 8.280 nan 0.000 0.507 455 M N -0.125 119.184 119.600 -0.484 0.000 2.086 455 M HA -0.178 4.301 4.480 -0.002 0.000 0.261 455 M C 2.196 178.179 176.300 -0.528 0.000 1.067 455 M CA 1.548 56.537 55.300 -0.519 0.000 1.116 455 M CB -0.795 31.566 32.600 -0.398 0.000 1.348 455 M HN 0.524 nan 8.290 nan 0.000 0.407 456 L N 1.312 122.226 121.223 -0.514 0.000 1.963 456 L HA -0.257 4.082 4.340 -0.002 0.000 0.220 456 L C 2.225 178.940 176.870 -0.258 0.000 1.076 456 L CA 2.142 56.773 54.840 -0.348 0.000 0.772 456 L CB -1.637 40.185 42.059 -0.396 0.000 0.892 456 L HN 0.337 nan 8.230 nan 0.000 0.435 457 E N -0.082 119.878 120.200 -0.400 0.000 2.171 457 E HA -0.277 4.071 4.350 -0.002 0.000 0.197 457 E C 2.122 178.161 176.600 -0.934 0.000 0.997 457 E CA 1.418 57.383 56.400 -0.725 0.000 0.810 457 E CB -0.064 29.007 29.700 -1.048 0.000 0.738 457 E HN 0.447 nan 8.360 nan 0.000 0.467 458 K N 0.029 119.980 120.400 -0.749 0.000 1.985 458 K HA -0.181 4.138 4.320 -0.002 0.000 0.210 458 K C 1.864 178.374 176.600 -0.150 0.000 1.047 458 K CA 1.600 57.621 56.287 -0.444 0.000 0.932 458 K CB -0.722 31.428 32.500 -0.583 0.000 0.716 458 K HN 0.128 nan 8.250 nan 0.000 0.439 459 W N 1.581 122.704 121.300 -0.295 0.000 2.290 459 W HA -0.305 4.355 4.660 -0.001 0.000 0.323 459 W C 2.024 178.405 176.519 -0.230 0.000 1.260 459 W CA 2.608 59.847 57.345 -0.177 0.000 1.266 459 W CB -0.241 29.194 29.460 -0.043 0.000 1.149 459 W HN 0.054 nan 8.180 nan 0.000 0.482 460 R N -1.013 119.469 120.500 -0.030 0.000 2.088 460 R HA -0.242 4.097 4.340 -0.002 0.000 0.232 460 R C 2.088 178.104 176.300 -0.472 0.000 1.136 460 R CA 2.241 58.102 56.100 -0.399 0.000 0.926 460 R CB -1.340 28.886 30.300 -0.122 0.000 0.837 460 R HN 0.208 nan 8.270 nan 0.000 0.429 461 W N 0.887 122.087 121.300 -0.166 0.000 2.290 461 W HA -0.249 4.410 4.660 -0.001 0.000 0.318 461 W C 2.199 178.670 176.519 -0.080 0.000 1.248 461 W CA 1.106 58.458 57.345 0.012 0.000 1.263 461 W CB -1.020 28.462 29.460 0.037 0.000 1.147 461 W HN 0.207 nan 8.180 nan 0.000 0.494 462 M N -0.449 119.185 119.600 0.057 0.000 2.084 462 M HA -0.255 4.224 4.480 -0.002 0.000 0.259 462 M C 2.006 178.198 176.300 -0.180 0.000 1.072 462 M CA 2.070 57.330 55.300 -0.067 0.000 1.107 462 M CB -1.351 31.167 32.600 -0.137 0.000 1.299 462 M HN -0.264 nan 8.290 nan 0.000 0.413 463 V N 0.214 119.828 119.914 -0.501 0.000 2.370 463 V HA -0.309 3.810 4.120 -0.002 0.000 0.252 463 V C 2.088 178.088 176.094 -0.157 0.000 1.068 463 V CA 2.109 64.097 62.300 -0.519 0.000 1.061 463 V CB -0.971 30.154 31.823 -1.163 0.000 0.656 463 V HN 0.379 nan 8.190 nan 0.000 0.455 464 F N 0.052 119.959 119.950 -0.072 0.000 2.075 464 F HA -0.159 4.367 4.527 -0.002 0.000 0.297 464 F C 2.430 178.225 175.800 -0.009 0.000 1.113 464 F CA 1.322 59.314 58.000 -0.014 0.000 1.218 464 F CB -0.311 38.706 39.000 0.029 0.000 0.984 464 F HN -0.003 nan 8.300 nan 0.000 0.472 465 K N 0.227 120.739 120.400 0.187 0.000 2.574 465 K HA -0.029 4.290 4.320 -0.002 0.000 0.193 465 K C 1.456 178.097 176.600 0.069 0.000 1.035 465 K CA 0.664 57.012 56.287 0.101 0.000 0.982 465 K CB -0.438 32.106 32.500 0.074 0.000 0.795 465 K HN 0.492 nan 8.250 nan 0.000 0.491 466 G N 1.332 110.175 108.800 0.071 0.000 2.184 466 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.264 466 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.264 466 G C 0.527 175.457 174.900 0.050 0.000 0.975 466 G CA 0.574 45.713 45.100 0.065 0.000 0.642 466 G HN 0.481 nan 8.290 nan 0.000 0.536 467 E N -0.378 119.840 120.200 0.031 0.000 2.455 467 E HA 0.078 4.427 4.350 -0.002 0.000 0.202 467 E C 0.767 177.387 176.600 0.034 0.000 1.045 467 E CA 0.580 56.998 56.400 0.029 0.000 0.872 467 E CB 0.024 29.737 29.700 0.022 0.000 0.792 467 E HN 0.655 nan 8.360 nan 0.000 0.542 468 I N 1.202 121.796 120.570 0.039 0.000 2.468 468 I HA 0.238 4.407 4.170 -0.002 0.000 0.284 468 I C -2.520 173.738 176.117 0.235 0.000 1.038 468 I CA -2.510 58.847 61.300 0.095 0.000 1.083 468 I CB 1.891 39.868 38.000 -0.039 0.000 1.223 468 I HN -0.298 nan 8.210 nan 0.000 0.443 469 P HA 0.148 nan 4.420 nan 0.000 0.271 469 P C 0.267 177.602 177.300 0.058 0.000 1.216 469 P CA -0.344 62.819 63.100 0.105 0.000 0.776 469 P CB 0.669 32.414 31.700 0.074 0.000 0.881 470 K N 1.657 121.915 120.400 -0.237 0.000 2.442 470 K HA -0.136 4.183 4.320 -0.002 0.000 0.199 470 K C 0.776 177.237 176.600 -0.231 0.000 1.044 470 K CA 1.259 57.157 56.287 -0.648 0.000 0.941 470 K CB -0.247 31.846 32.500 -0.679 0.000 0.759 470 K HN 0.614 nan 8.250 nan 0.000 0.472 471 D N -0.125 120.246 120.400 -0.048 0.000 2.340 471 D HA -0.087 4.552 4.640 -0.002 0.000 0.220 471 D C 0.920 177.302 176.300 0.136 0.000 1.039 471 D CA 0.465 54.486 54.000 0.035 0.000 0.866 471 D CB 0.296 41.111 40.800 0.026 0.000 0.913 471 D HN 0.213 nan 8.370 nan 0.000 0.523 472 Q N -1.438 118.491 119.800 0.215 0.000 2.073 472 Q HA 0.110 4.449 4.340 -0.002 0.000 0.215 472 Q C 0.601 176.876 176.000 0.458 0.000 0.776 472 Q CA -0.565 55.413 55.803 0.292 0.000 1.008 472 Q CB 0.292 29.170 28.738 0.234 0.000 1.196 472 Q HN 0.037 nan 8.270 nan 0.000 0.458 473 W N 0.812 122.254 121.300 0.237 0.000 2.292 473 W HA -0.191 4.468 4.660 -0.002 0.000 0.304 473 W C 1.368 178.196 176.519 0.515 0.000 1.228 473 W CA 1.394 58.959 57.345 0.367 0.000 1.241 473 W CB 0.013 29.662 29.460 0.315 0.000 1.142 473 W HN 0.238 nan 8.180 nan 0.000 0.520 474 M N -0.993 118.960 119.600 0.589 0.000 2.371 474 M HA 0.070 4.549 4.480 -0.002 0.000 0.246 474 M C 1.663 178.281 176.300 0.531 0.000 1.103 474 M CA 0.518 56.111 55.300 0.487 0.000 1.010 474 M CB -0.492 32.374 32.600 0.443 0.000 1.457 474 M HN 0.019 nan 8.290 nan 0.000 0.486 475 K N 0.806 121.483 120.400 0.461 0.000 2.020 475 K HA -0.032 4.286 4.320 -0.002 0.000 0.206 475 K C 1.925 178.760 176.600 0.393 0.000 1.038 475 K CA 0.679 57.202 56.287 0.392 0.000 0.947 475 K CB 0.267 32.947 32.500 0.299 0.000 0.744 475 K HN -0.118 nan 8.250 nan 0.000 0.442 476 K N 0.734 121.365 120.400 0.384 0.000 2.286 476 K HA -0.201 4.118 4.320 -0.002 0.000 0.203 476 K C 1.782 178.623 176.600 0.402 0.000 1.045 476 K CA 1.061 57.562 56.287 0.356 0.000 0.935 476 K CB -0.269 32.423 32.500 0.320 0.000 0.737 476 K HN 0.507 nan 8.250 nan 0.000 0.460 477 W N -0.010 121.421 121.300 0.217 0.000 2.381 477 W HA -0.217 4.441 4.660 -0.002 0.000 0.321 477 W C 1.174 177.565 176.519 -0.214 0.000 1.196 477 W CA 0.920 58.139 57.345 -0.208 0.000 1.304 477 W CB -0.902 28.155 29.460 -0.671 0.000 1.166 477 W HN 0.054 nan 8.180 nan 0.000 0.473 478 W N 1.229 122.629 121.300 0.167 0.000 2.721 478 W HA -0.087 4.572 4.660 -0.002 0.000 0.245 478 W C 2.339 178.878 176.519 0.033 0.000 1.276 478 W CA 1.034 58.404 57.345 0.042 0.000 1.342 478 W CB -0.349 29.220 29.460 0.181 0.000 1.135 478 W HN 0.113 nan 8.180 nan 0.000 0.654 479 E N -0.137 120.207 120.200 0.239 0.000 2.086 479 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 479 E C 2.008 178.680 176.600 0.120 0.000 0.975 479 E CA 0.975 57.494 56.400 0.199 0.000 0.813 479 E CB -0.103 29.719 29.700 0.203 0.000 0.768 479 E HN 0.270 nan 8.360 nan 0.000 0.457 480 M N -0.236 119.373 119.600 0.014 0.000 2.388 480 M HA 0.002 4.481 4.480 -0.002 0.000 0.265 480 M C 2.022 178.229 176.300 -0.156 0.000 1.088 480 M CA 0.721 55.992 55.300 -0.049 0.000 1.134 480 M CB 0.293 32.836 32.600 -0.096 0.000 1.384 480 M HN -0.179 nan 8.290 nan 0.000 0.447 481 K N 0.439 120.648 120.400 -0.319 0.000 2.217 481 K HA -0.009 4.310 4.320 -0.002 0.000 0.202 481 K C 1.885 178.479 176.600 -0.011 0.000 1.051 481 K CA 1.172 57.260 56.287 -0.331 0.000 0.952 481 K CB 0.150 32.273 32.500 -0.628 0.000 0.736 481 K HN 0.171 nan 8.250 nan 0.000 0.453 482 R N -0.579 119.978 120.500 0.096 0.000 2.066 482 R HA -0.010 4.329 4.340 -0.002 0.000 0.224 482 R C 2.164 178.580 176.300 0.193 0.000 1.122 482 R CA 1.415 57.600 56.100 0.143 0.000 0.974 482 R CB -0.024 30.401 30.300 0.209 0.000 0.871 482 R HN 0.277 nan 8.270 nan 0.000 0.435 483 E N 0.618 120.972 120.200 0.256 0.000 2.086 483 E HA -0.085 4.264 4.350 -0.002 0.000 0.190 483 E C 1.795 178.676 176.600 0.469 0.000 0.975 483 E CA 0.798 57.433 56.400 0.392 0.000 0.813 483 E CB 0.180 30.036 29.700 0.261 0.000 0.768 483 E HN 0.219 nan 8.360 nan 0.000 0.457 484 I N 0.339 121.093 120.570 0.307 0.000 2.339 484 I HA -0.130 4.039 4.170 -0.002 0.000 0.245 484 I C 2.086 178.420 176.117 0.361 0.000 1.096 484 I CA 0.454 61.964 61.300 0.350 0.000 1.408 484 I CB 0.279 38.417 38.000 0.229 0.000 1.092 484 I HN 0.032 nan 8.210 nan 0.000 0.423 485 V N 0.290 120.299 119.914 0.158 0.000 3.174 485 V HA 0.219 4.338 4.120 -0.002 0.000 0.254 485 V C 1.434 177.493 176.094 -0.058 0.000 1.120 485 V CA 0.895 63.278 62.300 0.138 0.000 1.114 485 V CB -0.373 31.501 31.823 0.085 0.000 0.756 485 V HN 0.664 nan 8.190 nan 0.000 0.467 486 G N 0.998 109.523 108.800 -0.458 0.000 2.225 486 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.264 486 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.264 486 G C -0.134 174.515 174.900 -0.418 0.000 1.060 486 G CA 0.298 44.569 45.100 -1.381 0.000 0.833 486 G HN 0.441 nan 8.290 nan 0.000 0.498 487 V N -0.621 119.246 119.914 -0.078 0.000 2.864 487 V HA 0.867 4.986 4.120 -0.002 0.000 0.314 487 V C 0.446 176.659 176.094 0.200 0.000 1.073 487 V CA -0.368 62.002 62.300 0.118 0.000 0.956 487 V CB 2.234 34.200 31.823 0.239 0.000 1.023 487 V HN 1.139 nan 8.190 nan 0.000 0.435 488 V N -0.053 119.968 119.914 0.179 0.000 2.733 488 V HA 0.614 4.733 4.120 -0.002 0.000 0.306 488 V C -0.334 175.625 176.094 -0.224 0.000 1.084 488 V CA -0.881 61.463 62.300 0.073 0.000 0.905 488 V CB 1.825 33.676 31.823 0.047 0.000 1.010 488 V HN 0.946 nan 8.190 nan 0.000 0.424 489 E N 4.568 124.317 120.200 -0.752 0.000 2.529 489 E HA 0.075 4.424 4.350 -0.002 0.000 0.259 489 E C -2.207 174.041 176.600 -0.588 0.000 0.966 489 E CA -1.020 54.685 56.400 -1.158 0.000 0.937 489 E CB 1.102 29.734 29.700 -1.780 0.000 0.923 489 E HN 0.505 nan 8.360 nan 0.000 0.468 490 P HA -0.039 nan 4.420 nan 0.000 0.225 490 P C 0.340 177.561 177.300 -0.131 0.000 1.156 490 P CA 0.805 63.694 63.100 -0.351 0.000 0.787 490 P CB 0.246 31.574 31.700 -0.621 0.000 0.802 491 V N -4.510 115.204 119.914 -0.334 0.000 3.007 491 V HA 0.693 4.812 4.120 -0.002 0.000 0.311 491 V C -3.101 172.507 176.094 -0.811 0.000 1.120 491 V CA -3.012 59.015 62.300 -0.455 0.000 0.980 491 V CB 2.555 34.254 31.823 -0.206 0.000 1.033 491 V HN -0.284 nan 8.190 nan 0.000 0.429 492 P HA 0.308 nan 4.420 nan 0.000 0.271 492 P C -1.308 175.888 177.300 -0.174 0.000 1.220 492 P CA 0.410 63.059 63.100 -0.751 0.000 0.768 492 P CB 0.186 31.454 31.700 -0.721 0.000 0.848 493 H N 1.820 120.708 119.070 -0.304 0.000 2.638 493 H HA 0.254 4.809 4.556 -0.002 0.000 0.317 493 H C 0.291 175.718 175.328 0.165 0.000 1.006 493 H CA -0.611 55.295 56.048 -0.237 0.000 1.222 493 H CB 0.333 29.845 29.762 -0.417 0.000 1.419 493 H HN 0.447 nan 8.280 nan 0.000 0.489 494 D N 1.290 121.937 120.400 0.411 0.000 2.414 494 D HA 0.003 4.642 4.640 -0.002 0.000 0.251 494 D C 0.779 177.276 176.300 0.329 0.000 1.252 494 D CA -0.498 53.684 54.000 0.304 0.000 0.999 494 D CB 1.044 41.959 40.800 0.192 0.000 1.093 494 D HN 0.192 nan 8.370 nan 0.000 0.515 495 E N -0.902 119.428 120.200 0.217 0.000 2.515 495 E HA -0.090 4.259 4.350 -0.002 0.000 0.201 495 E C 1.467 178.127 176.600 0.101 0.000 1.071 495 E CA 0.407 56.919 56.400 0.187 0.000 0.880 495 E CB -0.752 29.023 29.700 0.125 0.000 0.828 495 E HN 0.542 nan 8.360 nan 0.000 0.540 496 T N -0.023 114.554 114.554 0.039 0.000 2.915 496 T HA -0.095 4.254 4.350 -0.002 0.000 0.269 496 T C 0.103 174.672 174.700 -0.219 0.000 1.071 496 T CA 0.672 62.694 62.100 -0.129 0.000 1.132 496 T CB -0.068 68.659 68.868 -0.234 0.000 0.878 496 T HN 0.069 nan 8.240 nan 0.000 0.479 497 Y N -0.447 119.831 120.300 -0.037 0.000 2.335 497 Y HA 0.454 5.003 4.550 -0.002 0.000 0.323 497 Y C 0.402 176.289 175.900 -0.022 0.000 1.224 497 Y CA -1.221 56.828 58.100 -0.085 0.000 1.241 497 Y CB 0.976 39.370 38.460 -0.110 0.000 1.235 497 Y HN -0.066 nan 8.280 nan 0.000 0.492 498 C N 3.838 123.177 119.300 0.065 0.000 3.452 498 C HA 0.283 4.742 4.460 -0.002 0.000 0.251 498 C C 0.507 175.308 174.990 -0.315 0.000 1.160 498 C CA -0.868 58.094 59.018 -0.093 0.000 1.328 498 C CB -1.525 26.191 27.740 -0.040 0.000 1.819 498 C HN 0.911 nan 8.230 nan 0.000 0.543 499 D N 3.189 123.329 120.400 -0.433 0.000 2.097 499 D HA -0.077 4.561 4.640 -0.002 0.000 0.195 499 D C -0.350 175.496 176.300 -0.756 0.000 0.989 499 D CA 1.531 55.237 54.000 -0.490 0.000 0.827 499 D CB -0.781 39.824 40.800 -0.325 0.000 0.966 499 D HN 0.481 nan 8.370 nan 0.000 0.456 500 P HA -0.140 nan 4.420 nan 0.000 0.216 500 P C 1.041 177.903 177.300 -0.730 0.000 1.150 500 P CA 1.684 63.943 63.100 -1.402 0.000 0.843 500 P CB -0.038 30.410 31.700 -2.087 0.000 0.787 501 A N -0.216 122.180 122.820 -0.706 0.000 2.209 501 A HA -0.043 4.276 4.320 -0.002 0.000 0.212 501 A C 2.398 179.914 177.584 -0.113 0.000 1.158 501 A CA 1.199 52.956 52.037 -0.466 0.000 0.742 501 A CB -1.386 17.299 19.000 -0.525 0.000 0.790 501 A HN 0.236 nan 8.150 nan 0.000 0.472 502 S N -1.196 114.477 115.700 -0.045 0.000 2.547 502 S HA 0.062 4.531 4.470 -0.002 0.000 0.235 502 S C 0.482 175.667 174.600 0.974 0.000 0.980 502 S CA 0.402 58.782 58.200 0.300 0.000 0.941 502 S CB -0.673 62.637 63.200 0.184 0.000 0.763 502 S HN 0.510 nan 8.310 nan 0.000 0.532 503 L N -0.046 121.490 121.223 0.521 0.000 2.346 503 L HA 0.484 4.823 4.340 -0.002 0.000 0.274 503 L C 0.618 177.525 176.870 0.062 0.000 1.007 503 L CA -0.693 54.292 54.840 0.241 0.000 0.818 503 L CB 0.724 42.476 42.059 -0.512 0.000 1.284 503 L HN 0.112 nan 8.230 nan 0.000 0.424 504 F N 2.843 122.649 119.950 -0.240 0.000 2.032 504 F HA -0.305 4.221 4.527 -0.002 0.000 0.297 504 F C 2.174 177.781 175.800 -0.321 0.000 1.125 504 F CA 2.516 60.097 58.000 -0.698 0.000 1.202 504 F CB -0.159 38.627 39.000 -0.356 0.000 0.958 504 F HN 0.749 nan 8.300 nan 0.000 0.491 505 H N -0.952 118.149 119.070 0.051 0.000 2.422 505 H HA -0.146 4.409 4.556 -0.002 0.000 0.298 505 H C 2.378 177.690 175.328 -0.028 0.000 1.098 505 H CA 1.624 57.773 56.048 0.168 0.000 1.315 505 H CB -0.668 29.248 29.762 0.256 0.000 1.382 505 H HN 0.287 nan 8.280 nan 0.000 0.523 506 V N 1.061 120.939 119.914 -0.060 0.000 2.307 506 V HA -0.191 3.928 4.120 -0.002 0.000 0.245 506 V C 2.336 178.380 176.094 -0.084 0.000 1.045 506 V CA 2.083 64.333 62.300 -0.084 0.000 1.024 506 V CB -0.416 31.225 31.823 -0.304 0.000 0.651 506 V HN 0.490 nan 8.190 nan 0.000 0.449 507 S N -1.254 114.306 115.700 -0.233 0.000 2.577 507 S HA 0.151 4.620 4.470 -0.002 0.000 0.219 507 S C 0.948 175.337 174.600 -0.352 0.000 0.962 507 S CA -0.084 57.976 58.200 -0.234 0.000 0.921 507 S CB -0.274 62.832 63.200 -0.158 0.000 0.789 507 S HN 0.612 nan 8.310 nan 0.000 0.497 508 N N 1.812 120.228 118.700 -0.473 0.000 2.235 508 N HA 0.091 4.829 4.740 -0.002 0.000 0.231 508 N C -0.833 174.374 175.510 -0.505 0.000 1.177 508 N CA 0.262 52.957 53.050 -0.591 0.000 0.874 508 N CB 0.472 38.247 38.487 -1.188 0.000 1.097 508 N HN 0.388 nan 8.380 nan 0.000 0.518 509 D N 0.627 120.908 120.400 -0.198 0.000 2.697 509 D HA -0.242 4.397 4.640 -0.002 0.000 0.238 509 D C -1.428 174.850 176.300 -0.036 0.000 1.152 509 D CA 0.952 55.017 54.000 0.109 0.000 0.666 509 D CB -1.474 39.419 40.800 0.156 0.000 1.037 509 D HN 0.248 nan 8.370 nan 0.000 0.423 510 Y N -0.017 120.424 120.300 0.235 0.000 2.446 510 Y HA 0.447 4.995 4.550 -0.002 0.000 0.345 510 Y C 0.886 176.591 175.900 -0.325 0.000 0.984 510 Y CA -0.636 57.488 58.100 0.040 0.000 1.058 510 Y CB 1.689 40.236 38.460 0.145 0.000 1.220 510 Y HN 0.104 nan 8.280 nan 0.000 0.455 511 S N 1.789 117.035 115.700 -0.757 0.000 2.576 511 S HA 0.109 4.577 4.470 -0.002 0.000 0.272 511 S C 0.179 174.709 174.600 -0.116 0.000 1.352 511 S CA -0.055 57.500 58.200 -1.074 0.000 1.021 511 S CB 0.388 62.981 63.200 -1.012 0.000 0.887 511 S HN 0.773 nan 8.310 nan 0.000 0.542 512 F N 0.702 120.521 119.950 -0.218 0.000 2.667 512 F HA 0.268 4.794 4.527 -0.002 0.000 0.288 512 F C 1.764 177.526 175.800 -0.063 0.000 1.086 512 F CA -0.429 57.542 58.000 -0.047 0.000 1.297 512 F CB 0.061 39.045 39.000 -0.027 0.000 1.059 512 F HN 0.610 nan 8.300 nan 0.000 0.624 513 I N 2.192 122.752 120.570 -0.018 0.000 2.623 513 I HA -0.284 3.885 4.170 -0.002 0.000 0.261 513 I C 2.383 178.470 176.117 -0.050 0.000 1.204 513 I CA 1.344 62.619 61.300 -0.041 0.000 1.444 513 I CB -0.562 37.476 38.000 0.063 0.000 1.094 513 I HN 0.132 nan 8.210 nan 0.000 0.451 514 R N -0.785 119.629 120.500 -0.144 0.000 2.133 514 R HA -0.248 4.091 4.340 -0.002 0.000 0.247 514 R C 1.792 177.888 176.300 -0.340 0.000 1.151 514 R CA 2.092 58.059 56.100 -0.221 0.000 0.971 514 R CB -1.433 28.640 30.300 -0.378 0.000 0.866 514 R HN 0.330 nan 8.270 nan 0.000 0.447 515 Y N -0.786 119.406 120.300 -0.179 0.000 2.571 515 Y HA -0.049 4.500 4.550 -0.002 0.000 0.294 515 Y C 1.874 177.699 175.900 -0.125 0.000 1.141 515 Y CA 0.386 58.358 58.100 -0.213 0.000 1.308 515 Y CB -0.352 37.817 38.460 -0.484 0.000 1.002 515 Y HN 0.147 nan 8.280 nan 0.000 0.551 516 Y N 0.514 120.746 120.300 -0.112 0.000 2.222 516 Y HA -0.128 4.421 4.550 -0.002 0.000 0.290 516 Y C 2.720 178.511 175.900 -0.182 0.000 1.123 516 Y CA 1.556 59.595 58.100 -0.100 0.000 1.120 516 Y CB -0.534 37.876 38.460 -0.083 0.000 1.060 516 Y HN 0.122 nan 8.280 nan 0.000 0.508 517 T N 0.010 114.584 114.554 0.033 0.000 2.685 517 T HA -0.329 4.020 4.350 -0.002 0.000 0.268 517 T C 2.066 176.288 174.700 -0.797 0.000 1.034 517 T CA 1.784 63.661 62.100 -0.372 0.000 1.149 517 T CB -0.703 68.005 68.868 -0.266 0.000 0.860 517 T HN 0.396 nan 8.240 nan 0.000 0.449 518 R N 1.284 121.567 120.500 -0.362 0.000 2.080 518 R HA -0.154 4.185 4.340 -0.002 0.000 0.236 518 R C 2.447 178.641 176.300 -0.176 0.000 1.137 518 R CA 2.273 58.268 56.100 -0.175 0.000 0.943 518 R CB -1.250 29.047 30.300 -0.005 0.000 0.846 518 R HN 0.489 nan 8.270 nan 0.000 0.431 519 T N 1.869 116.323 114.554 -0.167 0.000 2.699 519 T HA -0.163 4.186 4.350 -0.002 0.000 0.268 519 T C 1.855 176.487 174.700 -0.113 0.000 1.036 519 T CA 1.568 63.588 62.100 -0.134 0.000 1.147 519 T CB -0.193 68.597 68.868 -0.130 0.000 0.862 519 T HN 0.106 nan 8.240 nan 0.000 0.446 520 L N -0.193 120.880 121.223 -0.250 0.000 2.027 520 L HA -0.027 4.312 4.340 -0.002 0.000 0.206 520 L C 2.311 179.133 176.870 -0.080 0.000 1.074 520 L CA 1.578 56.330 54.840 -0.146 0.000 0.745 520 L CB -0.964 40.967 42.059 -0.213 0.000 0.898 520 L HN 0.259 nan 8.230 nan 0.000 0.433 521 Y N -0.230 119.970 120.300 -0.167 0.000 2.128 521 Y HA -0.328 4.221 4.550 -0.002 0.000 0.284 521 Y C 2.695 178.423 175.900 -0.286 0.000 1.154 521 Y CA 1.178 59.037 58.100 -0.401 0.000 1.149 521 Y CB -1.292 36.889 38.460 -0.465 0.000 0.976 521 Y HN 0.322 nan 8.280 nan 0.000 0.505 522 Q N -0.348 119.462 119.800 0.017 0.000 2.028 522 Q HA -0.282 4.056 4.340 -0.002 0.000 0.213 522 Q C 1.926 177.816 176.000 -0.182 0.000 1.017 522 Q CA 2.864 58.602 55.803 -0.108 0.000 0.875 522 Q CB -0.523 27.991 28.738 -0.374 0.000 0.962 522 Q HN 0.431 nan 8.270 nan 0.000 0.413 523 F N 0.322 120.250 119.950 -0.037 0.000 2.259 523 F HA -0.081 4.445 4.527 -0.002 0.000 0.298 523 F C 2.544 178.340 175.800 -0.006 0.000 1.088 523 F CA 1.171 59.145 58.000 -0.043 0.000 1.358 523 F CB -0.312 38.639 39.000 -0.083 0.000 1.040 523 F HN 0.201 nan 8.300 nan 0.000 0.505 524 Q N -0.383 119.477 119.800 0.099 0.000 2.002 524 Q HA -0.207 4.132 4.340 -0.002 0.000 0.204 524 Q C 2.197 178.202 176.000 0.008 0.000 0.988 524 Q CA 2.001 57.801 55.803 -0.004 0.000 0.843 524 Q CB -0.531 28.118 28.738 -0.149 0.000 0.908 524 Q HN 0.273 nan 8.270 nan 0.000 0.420 525 F N 0.966 120.932 119.950 0.025 0.000 2.087 525 F HA -0.300 4.226 4.527 -0.002 0.000 0.299 525 F C 2.607 178.407 175.800 0.001 0.000 1.100 525 F CA 1.765 59.754 58.000 -0.018 0.000 1.226 525 F CB -0.831 38.117 39.000 -0.087 0.000 0.983 525 F HN 0.157 nan 8.300 nan 0.000 0.479 526 Q N 0.332 120.247 119.800 0.192 0.000 2.079 526 Q HA -0.196 4.143 4.340 -0.002 0.000 0.200 526 Q C 2.142 178.225 176.000 0.137 0.000 0.974 526 Q CA 1.911 57.791 55.803 0.129 0.000 0.840 526 Q CB -0.355 28.441 28.738 0.096 0.000 0.898 526 Q HN 0.506 nan 8.270 nan 0.000 0.430 527 E N -0.669 119.626 120.200 0.158 0.000 2.021 527 E HA -0.273 4.076 4.350 -0.002 0.000 0.200 527 E C 1.804 178.474 176.600 0.117 0.000 1.015 527 E CA 1.559 58.043 56.400 0.140 0.000 0.824 527 E CB -0.390 29.389 29.700 0.131 0.000 0.762 527 E HN 0.473 nan 8.360 nan 0.000 0.454 528 A N 0.263 123.152 122.820 0.116 0.000 1.908 528 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 528 A C 2.108 179.751 177.584 0.099 0.000 1.181 528 A CA 1.356 53.458 52.037 0.108 0.000 0.627 528 A CB -0.623 18.452 19.000 0.124 0.000 0.818 528 A HN 0.303 nan 8.150 nan 0.000 0.445 529 L N -0.631 120.653 121.223 0.103 0.000 2.027 529 L HA -0.144 4.195 4.340 -0.002 0.000 0.206 529 L C 2.646 179.551 176.870 0.059 0.000 1.074 529 L CA 1.667 56.551 54.840 0.073 0.000 0.745 529 L CB -1.010 41.086 42.059 0.062 0.000 0.898 529 L HN 0.510 nan 8.230 nan 0.000 0.433 530 c N -1.364 117.271 118.600 0.059 0.000 2.419 530 c HA -0.154 4.415 4.570 -0.002 0.000 0.283 530 c C 2.790 176.945 174.090 0.108 0.000 1.373 530 c CA 0.452 56.810 56.329 0.049 0.000 1.781 530 c CB -0.776 41.727 42.510 -0.012 0.000 1.886 530 c HN 0.573 nan 8.230 nan 0.000 0.520 531 Q N 0.774 120.634 119.800 0.099 0.000 2.020 531 Q HA -0.090 4.249 4.340 -0.002 0.000 0.198 531 Q C 2.419 178.463 176.000 0.074 0.000 0.974 531 Q CA 1.605 57.464 55.803 0.093 0.000 0.829 531 Q CB -0.275 28.512 28.738 0.082 0.000 0.894 531 Q HN 0.639 nan 8.270 nan 0.000 0.433 532 A N 0.294 123.152 122.820 0.065 0.000 2.076 532 A HA -0.091 4.228 4.320 -0.002 0.000 0.220 532 A C 1.844 179.455 177.584 0.045 0.000 1.160 532 A CA 1.541 53.608 52.037 0.051 0.000 0.653 532 A CB -0.519 18.509 19.000 0.047 0.000 0.801 532 A HN 0.439 nan 8.150 nan 0.000 0.455 533 A N -0.963 121.890 122.820 0.055 0.000 2.415 533 A HA 0.357 4.676 4.320 -0.002 0.000 0.248 533 A C 0.501 178.129 177.584 0.074 0.000 1.299 533 A CA -0.196 51.873 52.037 0.053 0.000 0.899 533 A CB -0.214 18.813 19.000 0.045 0.000 0.997 533 A HN 0.250 nan 8.150 nan 0.000 0.506 534 K N 0.991 121.434 120.400 0.072 0.000 4.040 534 K HA -0.219 4.100 4.320 -0.002 0.000 0.279 534 K C -0.447 176.206 176.600 0.088 0.000 0.890 534 K CA 0.866 57.190 56.287 0.062 0.000 0.782 534 K CB -1.670 30.851 32.500 0.035 0.000 1.613 534 K HN 0.880 nan 8.250 nan 0.000 0.440 535 H N 1.266 120.341 119.070 0.009 0.000 2.489 535 H HA 0.186 4.741 4.556 -0.002 0.000 0.322 535 H C 1.211 176.536 175.328 -0.006 0.000 1.091 535 H CA -0.412 55.636 56.048 0.001 0.000 1.291 535 H CB 0.962 30.726 29.762 0.004 0.000 1.436 535 H HN 0.163 nan 8.280 nan 0.000 0.480 536 E N 3.087 122.876 120.200 -0.685 0.000 2.002 536 E HA -0.144 4.205 4.350 -0.002 0.000 0.213 536 E C 1.058 177.336 176.600 -0.536 0.000 1.024 536 E CA 1.676 57.751 56.400 -0.542 0.000 0.876 536 E CB -0.651 28.809 29.700 -0.401 0.000 0.799 536 E HN 0.805 nan 8.360 nan 0.000 0.497 537 G N 0.488 108.893 108.800 -0.658 0.000 3.267 537 G HA2 0.322 4.281 3.960 -0.002 0.000 0.200 537 G HA3 0.322 4.281 3.960 -0.002 0.000 0.200 537 G C -2.316 172.574 174.900 -0.018 0.000 1.603 537 G CA -0.510 44.453 45.100 -0.228 0.000 0.753 537 G HN 0.129 nan 8.290 nan 0.000 0.755 538 P HA 0.199 nan 4.420 nan 0.000 0.268 538 P C 0.717 178.035 177.300 0.030 0.000 1.204 538 P CA -0.533 62.594 63.100 0.044 0.000 0.768 538 P CB 1.174 32.899 31.700 0.041 0.000 0.842 539 L N 3.759 125.025 121.223 0.071 0.000 2.127 539 L HA -0.202 4.137 4.340 -0.002 0.000 0.211 539 L C 2.224 179.074 176.870 -0.032 0.000 1.089 539 L CA 1.865 56.751 54.840 0.077 0.000 0.757 539 L CB -1.365 40.810 42.059 0.193 0.000 0.899 539 L HN 0.565 nan 8.230 nan 0.000 0.434 540 H N -1.052 117.830 119.070 -0.313 0.000 2.521 540 H HA -0.100 4.455 4.556 -0.002 0.000 0.286 540 H C 1.234 176.448 175.328 -0.190 0.000 1.034 540 H CA 1.033 56.686 56.048 -0.659 0.000 1.278 540 H CB -0.154 28.978 29.762 -1.050 0.000 1.386 540 H HN 0.374 nan 8.280 nan 0.000 0.567 541 K N 0.745 120.708 120.400 -0.728 0.000 2.570 541 K HA 0.169 4.488 4.320 -0.002 0.000 0.210 541 K C -0.737 175.689 176.600 -0.290 0.000 1.048 541 K CA -0.307 55.686 56.287 -0.489 0.000 1.167 541 K CB 0.062 32.258 32.500 -0.506 0.000 0.892 541 K HN 0.223 nan 8.250 nan 0.000 0.480 542 c N 0.867 119.256 118.600 -0.352 0.000 2.355 542 c HA 0.443 5.012 4.570 -0.002 0.000 0.332 542 c C -0.876 173.081 174.090 -0.222 0.000 1.255 542 c CA -0.659 55.346 56.329 -0.540 0.000 1.792 542 c CB 0.800 42.847 42.510 -0.772 0.000 2.300 542 c HN 0.425 nan 8.230 nan 0.000 0.515 543 D N 3.898 124.210 120.400 -0.146 0.000 2.469 543 D HA 0.307 4.946 4.640 -0.002 0.000 0.251 543 D C 0.749 177.064 176.300 0.026 0.000 1.173 543 D CA -0.595 53.395 54.000 -0.016 0.000 0.882 543 D CB 0.821 41.655 40.800 0.056 0.000 1.129 543 D HN 0.589 nan 8.370 nan 0.000 0.549 544 I N 1.278 121.876 120.570 0.047 0.000 3.176 544 I HA 0.064 4.233 4.170 -0.002 0.000 0.275 544 I C 0.865 176.990 176.117 0.014 0.000 1.298 544 I CA -0.232 61.087 61.300 0.032 0.000 1.445 544 I CB -0.775 37.241 38.000 0.027 0.000 1.075 544 I HN 0.218 nan 8.210 nan 0.000 0.482 545 S N 1.706 117.462 115.700 0.093 0.000 2.563 545 S HA 0.041 4.510 4.470 -0.002 0.000 0.284 545 S C 0.847 175.437 174.600 -0.017 0.000 1.331 545 S CA 0.078 58.273 58.200 -0.008 0.000 1.047 545 S CB 0.237 63.599 63.200 0.271 0.000 0.859 545 S HN 0.604 nan 8.310 nan 0.000 0.514 546 N N -0.674 117.979 118.700 -0.078 0.000 2.878 546 N HA -0.168 4.571 4.740 -0.002 0.000 0.247 546 N C -0.337 175.146 175.510 -0.045 0.000 1.021 546 N CA 1.346 54.367 53.050 -0.048 0.000 0.873 546 N CB -1.678 36.804 38.487 -0.008 0.000 1.128 546 N HN 0.741 nan 8.380 nan 0.000 0.571 547 S N 0.270 115.935 115.700 -0.059 0.000 2.468 547 S HA 0.280 4.749 4.470 -0.002 0.000 0.190 547 S C 1.439 176.007 174.600 -0.052 0.000 1.445 547 S CA 0.261 58.438 58.200 -0.038 0.000 1.084 547 S CB -0.028 63.162 63.200 -0.016 0.000 1.175 547 S HN 0.318 nan 8.310 nan 0.000 0.484 548 T N 1.417 115.937 114.554 -0.056 0.000 2.802 548 T HA -0.205 4.144 4.350 -0.002 0.000 0.269 548 T C 1.250 175.926 174.700 -0.041 0.000 1.062 548 T CA 1.736 63.800 62.100 -0.061 0.000 1.133 548 T CB -0.411 68.422 68.868 -0.058 0.000 0.852 548 T HN 0.583 nan 8.240 nan 0.000 0.485 549 E N 2.319 122.505 120.200 -0.023 0.000 2.015 549 E HA 0.191 4.540 4.350 -0.002 0.000 0.191 549 E C 2.651 179.251 176.600 0.001 0.000 0.991 549 E CA 1.216 57.612 56.400 -0.005 0.000 0.802 549 E CB -0.958 28.745 29.700 0.005 0.000 0.759 549 E HN 0.628 nan 8.360 nan 0.000 0.447 550 A N 1.086 123.905 122.820 -0.002 0.000 1.972 550 A HA -0.074 4.245 4.320 -0.002 0.000 0.219 550 A C 2.373 179.950 177.584 -0.011 0.000 1.169 550 A CA 1.795 53.834 52.037 0.002 0.000 0.635 550 A CB -1.378 17.623 19.000 0.002 0.000 0.810 550 A HN 0.321 nan 8.150 nan 0.000 0.446 551 G N -0.645 108.134 108.800 -0.034 0.000 2.511 551 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.216 551 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.216 551 G C 1.559 176.460 174.900 0.002 0.000 1.218 551 G CA 1.401 46.476 45.100 -0.042 0.000 0.788 551 G HN 0.545 nan 8.290 nan 0.000 0.560 552 Q N 0.592 120.391 119.800 -0.003 0.000 2.062 552 Q HA -0.194 4.145 4.340 -0.002 0.000 0.209 552 Q C 2.401 178.454 176.000 0.088 0.000 0.996 552 Q CA 2.568 58.397 55.803 0.042 0.000 0.859 552 Q CB -0.435 28.314 28.738 0.019 0.000 0.920 552 Q HN 0.573 nan 8.270 nan 0.000 0.415 553 K N -0.884 119.546 120.400 0.050 0.000 2.020 553 K HA -0.218 4.100 4.320 -0.002 0.000 0.212 553 K C 1.988 178.606 176.600 0.030 0.000 1.050 553 K CA 1.646 57.961 56.287 0.047 0.000 0.929 553 K CB -0.474 32.051 32.500 0.042 0.000 0.714 553 K HN 0.300 nan 8.250 nan 0.000 0.443 554 L N 0.635 121.859 121.223 0.002 0.000 1.989 554 L HA -0.134 4.204 4.340 -0.002 0.000 0.211 554 L C 2.092 178.913 176.870 -0.082 0.000 1.071 554 L CA 1.712 56.503 54.840 -0.082 0.000 0.749 554 L CB -0.806 41.184 42.059 -0.116 0.000 0.890 554 L HN 0.307 nan 8.230 nan 0.000 0.431 555 F N 0.394 120.264 119.950 -0.133 0.000 2.192 555 F HA -0.282 4.245 4.527 -0.002 0.000 0.301 555 F C 2.161 177.916 175.800 -0.075 0.000 1.079 555 F CA 2.049 59.978 58.000 -0.119 0.000 1.303 555 F CB -0.462 38.482 39.000 -0.094 0.000 1.024 555 F HN 0.313 nan 8.300 nan 0.000 0.494 556 N N 0.001 118.685 118.700 -0.026 0.000 2.381 556 N HA -0.171 4.568 4.740 -0.002 0.000 0.182 556 N C 1.533 176.971 175.510 -0.120 0.000 1.025 556 N CA 1.295 54.304 53.050 -0.068 0.000 0.888 556 N CB -0.122 38.384 38.487 0.032 0.000 0.965 556 N HN 0.466 nan 8.380 nan 0.000 0.438 557 M N -1.876 117.649 119.600 -0.125 0.000 2.337 557 M HA 0.265 4.744 4.480 -0.002 0.000 0.256 557 M C 0.970 177.191 176.300 -0.132 0.000 1.075 557 M CA 0.642 55.896 55.300 -0.077 0.000 1.024 557 M CB 0.354 32.968 32.600 0.023 0.000 1.429 557 M HN -0.160 nan 8.290 nan 0.000 0.497 558 L N 1.072 122.124 121.223 -0.286 0.000 2.049 558 L HA 0.155 4.494 4.340 -0.002 0.000 0.203 558 L C 2.856 179.663 176.870 -0.105 0.000 1.074 558 L CA 1.759 56.419 54.840 -0.299 0.000 0.749 558 L CB -0.813 40.980 42.059 -0.444 0.000 0.907 558 L HN 0.542 nan 8.230 nan 0.000 0.439 559 R N -0.475 119.751 120.500 -0.457 0.000 2.154 559 R HA -0.230 4.109 4.340 -0.002 0.000 0.248 559 R C 2.022 178.265 176.300 -0.096 0.000 1.155 559 R CA 1.616 57.474 56.100 -0.404 0.000 0.979 559 R CB -0.393 29.556 30.300 -0.586 0.000 0.869 559 R HN 0.218 nan 8.270 nan 0.000 0.452 560 L N 0.459 121.642 121.223 -0.067 0.000 2.191 560 L HA 0.037 4.376 4.340 -0.002 0.000 0.212 560 L C 1.694 178.546 176.870 -0.031 0.000 1.103 560 L CA 1.905 56.723 54.840 -0.038 0.000 0.769 560 L CB -1.173 40.859 42.059 -0.046 0.000 0.908 560 L HN 0.631 nan 8.230 nan 0.000 0.438 561 G N -0.510 108.313 108.800 0.038 0.000 2.575 561 G HA2 -0.436 3.523 3.960 -0.002 0.000 0.267 561 G HA3 -0.436 3.523 3.960 -0.002 0.000 0.267 561 G C 0.835 175.600 174.900 -0.225 0.000 1.264 561 G CA 0.391 45.371 45.100 -0.200 0.000 0.935 561 G HN 0.293 nan 8.290 nan 0.000 0.568 562 K N 0.677 120.887 120.400 -0.317 0.000 2.504 562 K HA 0.217 4.536 4.320 -0.002 0.000 0.199 562 K C 2.297 178.799 176.600 -0.163 0.000 1.028 562 K CA 1.238 57.386 56.287 -0.232 0.000 1.164 562 K CB -0.472 31.881 32.500 -0.244 0.000 0.877 562 K HN 0.743 nan 8.250 nan 0.000 0.508 563 S N -0.344 115.269 115.700 -0.145 0.000 2.603 563 S HA 0.023 4.492 4.470 -0.002 0.000 0.229 563 S C 0.132 174.675 174.600 -0.095 0.000 0.972 563 S CA 0.131 58.269 58.200 -0.103 0.000 0.935 563 S CB 0.031 63.180 63.200 -0.084 0.000 0.769 563 S HN 0.213 nan 8.310 nan 0.000 0.536 564 E N 1.187 121.322 120.200 -0.109 0.000 2.367 564 E HA 0.481 4.830 4.350 -0.002 0.000 0.273 564 E C -3.152 173.381 176.600 -0.113 0.000 0.903 564 E CA -2.348 53.986 56.400 -0.110 0.000 0.764 564 E CB 1.901 31.539 29.700 -0.104 0.000 1.252 564 E HN 0.079 nan 8.360 nan 0.000 0.446 565 P HA 0.027 nan 4.420 nan 0.000 0.271 565 P C 1.181 178.388 177.300 -0.156 0.000 1.216 565 P CA -0.236 62.788 63.100 -0.126 0.000 0.771 565 P CB 0.200 31.813 31.700 -0.144 0.000 0.864 566 W N 3.137 124.338 121.300 -0.165 0.000 2.350 566 W HA -0.209 4.450 4.660 -0.002 0.000 0.289 566 W C 0.786 177.293 176.519 -0.021 0.000 1.215 566 W CA 1.792 58.971 57.345 -0.277 0.000 1.236 566 W CB -2.387 26.897 29.460 -0.294 0.000 1.130 566 W HN 0.316 nan 8.180 nan 0.000 0.541 567 T N -0.252 113.844 114.554 -0.762 0.000 2.821 567 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 567 T C 2.026 176.705 174.700 -0.035 0.000 1.046 567 T CA 1.316 63.032 62.100 -0.639 0.000 1.139 567 T CB -0.892 67.515 68.868 -0.770 0.000 0.871 567 T HN 0.144 nan 8.240 nan 0.000 0.454 568 L N 1.640 122.910 121.223 0.079 0.000 2.023 568 L HA 0.166 4.505 4.340 -0.002 0.000 0.205 568 L C 2.957 179.893 176.870 0.110 0.000 1.073 568 L CA 2.240 57.175 54.840 0.159 0.000 0.745 568 L CB -1.659 40.323 42.059 -0.128 0.000 0.900 568 L HN 0.397 nan 8.230 nan 0.000 0.435 569 A N 0.144 123.003 122.820 0.065 0.000 1.917 569 A HA -0.260 4.058 4.320 -0.002 0.000 0.219 569 A C 2.333 180.094 177.584 0.296 0.000 1.182 569 A CA 1.979 54.090 52.037 0.124 0.000 0.633 569 A CB -0.898 18.114 19.000 0.021 0.000 0.819 569 A HN 0.557 nan 8.150 nan 0.000 0.448 570 L N -0.917 120.534 121.223 0.381 0.000 2.093 570 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 570 L C 2.517 179.510 176.870 0.206 0.000 1.085 570 L CA 2.103 57.162 54.840 0.364 0.000 0.755 570 L CB -0.345 41.907 42.059 0.321 0.000 0.904 570 L HN 0.613 nan 8.230 nan 0.000 0.435 571 E N -0.366 119.937 120.200 0.171 0.000 2.274 571 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 571 E C 1.645 178.324 176.600 0.132 0.000 0.996 571 E CA 0.516 56.996 56.400 0.135 0.000 0.840 571 E CB 0.233 30.024 29.700 0.151 0.000 0.772 571 E HN 0.526 nan 8.360 nan 0.000 0.491 572 N N 0.172 118.957 118.700 0.141 0.000 2.166 572 N HA -0.148 4.591 4.740 -0.002 0.000 0.186 572 N C 1.922 177.503 175.510 0.118 0.000 1.019 572 N CA 1.777 54.894 53.050 0.111 0.000 0.856 572 N CB -0.043 38.500 38.487 0.092 0.000 0.993 572 N HN 0.228 nan 8.380 nan 0.000 0.426 573 V N -1.596 118.417 119.914 0.166 0.000 2.795 573 V HA 0.136 4.254 4.120 -0.002 0.000 0.243 573 V C 1.917 178.106 176.094 0.158 0.000 1.069 573 V CA 0.831 63.237 62.300 0.177 0.000 1.089 573 V CB -0.358 31.629 31.823 0.273 0.000 0.756 573 V HN 0.164 nan 8.190 nan 0.000 0.471 574 V N -2.529 117.466 119.914 0.135 0.000 3.604 574 V HA 0.718 4.837 4.120 -0.002 0.000 0.277 574 V C 1.511 177.647 176.094 0.070 0.000 1.399 574 V CA 0.730 63.081 62.300 0.085 0.000 1.034 574 V CB -0.249 31.586 31.823 0.020 0.000 0.824 574 V HN 1.235 nan 8.190 nan 0.000 0.439 575 G N 0.473 109.320 108.800 0.078 0.000 2.160 575 G HA2 0.082 4.040 3.960 -0.002 0.000 0.244 575 G HA3 0.082 4.040 3.960 -0.002 0.000 0.244 575 G C 0.168 175.098 174.900 0.050 0.000 1.022 575 G CA 0.364 45.503 45.100 0.066 0.000 0.741 575 G HN 1.909 nan 8.290 nan 0.000 0.508 576 A N -0.732 122.118 122.820 0.051 0.000 2.343 576 A HA 0.803 5.122 4.320 -0.002 0.000 0.308 576 A C 0.861 178.462 177.584 0.028 0.000 1.092 576 A CA 0.100 52.160 52.037 0.038 0.000 0.751 576 A CB 0.966 19.999 19.000 0.054 0.000 1.203 576 A HN 0.194 nan 8.150 nan 0.000 0.452 577 K N 0.562 120.940 120.400 -0.037 0.000 2.280 577 K HA -0.108 4.211 4.320 -0.002 0.000 0.202 577 K C 0.555 177.118 176.600 -0.062 0.000 1.047 577 K CA 1.437 57.645 56.287 -0.132 0.000 0.942 577 K CB 0.012 32.348 32.500 -0.274 0.000 0.739 577 K HN 0.716 nan 8.250 nan 0.000 0.457 578 N N -0.480 118.273 118.700 0.089 0.000 2.697 578 N HA 0.225 4.964 4.740 -0.002 0.000 0.272 578 N C -1.134 174.569 175.510 0.322 0.000 1.381 578 N CA -0.929 52.285 53.050 0.275 0.000 0.797 578 N CB 0.983 39.645 38.487 0.292 0.000 1.523 578 N HN -0.097 nan 8.380 nan 0.000 0.518 579 M N 0.527 120.392 119.600 0.441 0.000 2.243 579 M HA 0.422 4.901 4.480 -0.002 0.000 0.341 579 M C -0.402 176.029 176.300 0.218 0.000 1.130 579 M CA -0.152 55.357 55.300 0.347 0.000 1.162 579 M CB 0.628 33.448 32.600 0.367 0.000 1.497 579 M HN 0.387 nan 8.290 nan 0.000 0.456 580 N N 1.062 119.854 118.700 0.154 0.000 2.329 580 N HA 0.310 5.049 4.740 -0.002 0.000 0.282 580 N C -0.978 174.586 175.510 0.089 0.000 1.198 580 N CA -0.565 52.559 53.050 0.122 0.000 0.790 580 N CB 2.751 41.299 38.487 0.102 0.000 1.579 580 N HN 0.675 nan 8.380 nan 0.000 0.475 581 V N 2.706 122.669 119.914 0.082 0.000 3.506 581 V HA 0.067 4.186 4.120 -0.002 0.000 0.263 581 V C 2.283 178.389 176.094 0.019 0.000 1.203 581 V CA 0.794 63.118 62.300 0.040 0.000 1.133 581 V CB -0.291 31.555 31.823 0.038 0.000 0.802 581 V HN 0.609 nan 8.190 nan 0.000 0.459 582 R N 1.909 122.433 120.500 0.040 0.000 2.094 582 R HA -0.115 4.224 4.340 -0.002 0.000 0.239 582 R C -0.353 175.961 176.300 0.024 0.000 1.137 582 R CA 2.639 58.759 56.100 0.034 0.000 0.943 582 R CB -1.875 28.456 30.300 0.051 0.000 0.850 582 R HN 0.386 nan 8.270 nan 0.000 0.433 583 P HA -0.174 nan 4.420 nan 0.000 0.214 583 P C 1.498 178.760 177.300 -0.063 0.000 1.163 583 P CA 1.325 64.457 63.100 0.054 0.000 0.889 583 P CB -0.199 31.575 31.700 0.122 0.000 0.790 584 L N -1.076 120.045 121.223 -0.171 0.000 1.997 584 L HA -0.234 4.105 4.340 -0.002 0.000 0.216 584 L C 2.284 179.018 176.870 -0.226 0.000 1.074 584 L CA 1.786 56.300 54.840 -0.542 0.000 0.763 584 L CB -0.820 41.073 42.059 -0.275 0.000 0.890 584 L HN -0.085 nan 8.230 nan 0.000 0.434 585 L N -0.550 120.621 121.223 -0.088 0.000 2.131 585 L HA -0.233 4.106 4.340 -0.002 0.000 0.210 585 L C 2.124 179.007 176.870 0.022 0.000 1.092 585 L CA 1.860 56.682 54.840 -0.030 0.000 0.759 585 L CB -0.676 41.351 42.059 -0.053 0.000 0.903 585 L HN 0.439 nan 8.230 nan 0.000 0.435 586 N N -1.075 117.634 118.700 0.016 0.000 2.171 586 N HA -0.229 4.510 4.740 -0.002 0.000 0.184 586 N C 1.880 177.410 175.510 0.033 0.000 1.021 586 N CA 0.886 53.963 53.050 0.046 0.000 0.854 586 N CB -0.199 38.323 38.487 0.058 0.000 0.994 586 N HN 0.227 nan 8.380 nan 0.000 0.426 587 Y N 0.584 120.765 120.300 -0.199 0.000 2.193 587 Y HA -0.215 4.334 4.550 -0.002 0.000 0.285 587 Y C 1.267 176.863 175.900 -0.507 0.000 1.166 587 Y CA 1.580 59.473 58.100 -0.346 0.000 1.181 587 Y CB -0.142 37.903 38.460 -0.692 0.000 0.976 587 Y HN 0.025 nan 8.280 nan 0.000 0.520 588 F N -0.364 119.632 119.950 0.076 0.000 2.743 588 F HA -0.016 4.510 4.527 -0.002 0.000 0.297 588 F C 2.160 177.976 175.800 0.027 0.000 1.131 588 F CA 0.246 58.262 58.000 0.026 0.000 1.426 588 F CB -0.123 38.868 39.000 -0.015 0.000 1.116 588 F HN -0.020 nan 8.300 nan 0.000 0.583 589 E N 1.144 121.438 120.200 0.157 0.000 2.086 589 E HA -0.242 4.107 4.350 -0.002 0.000 0.205 589 E C -0.432 176.270 176.600 0.170 0.000 1.027 589 E CA 1.966 58.484 56.400 0.197 0.000 0.830 589 E CB -1.636 28.145 29.700 0.135 0.000 0.751 589 E HN 0.266 nan 8.360 nan 0.000 0.456 590 P HA -0.160 nan 4.420 nan 0.000 0.215 590 P C 1.778 179.147 177.300 0.114 0.000 1.157 590 P CA 0.964 64.085 63.100 0.034 0.000 0.874 590 P CB -0.192 31.445 31.700 -0.106 0.000 0.790 591 L N -1.790 119.503 121.223 0.116 0.000 2.083 591 L HA -0.126 4.213 4.340 -0.002 0.000 0.209 591 L C 2.224 179.293 176.870 0.333 0.000 1.083 591 L CA 1.689 56.651 54.840 0.204 0.000 0.752 591 L CB -1.381 40.812 42.059 0.224 0.000 0.899 591 L HN -0.172 nan 8.230 nan 0.000 0.433 592 F N 0.406 120.427 119.950 0.118 0.000 2.095 592 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 592 F C 2.781 178.576 175.800 -0.009 0.000 1.104 592 F CA 2.032 60.062 58.000 0.051 0.000 1.232 592 F CB -1.155 37.870 39.000 0.042 0.000 0.987 592 F HN 0.372 nan 8.300 nan 0.000 0.475 593 T N -1.722 112.840 114.554 0.012 0.000 2.821 593 T HA -0.289 4.060 4.350 -0.002 0.000 0.267 593 T C 1.948 176.599 174.700 -0.081 0.000 1.046 593 T CA 1.494 63.494 62.100 -0.165 0.000 1.139 593 T CB -1.193 67.632 68.868 -0.071 0.000 0.871 593 T HN 0.524 nan 8.240 nan 0.000 0.454 594 W N 0.856 122.092 121.300 -0.108 0.000 2.381 594 W HA 0.063 4.722 4.660 -0.002 0.000 0.301 594 W C 1.754 178.193 176.519 -0.134 0.000 1.205 594 W CA 0.342 57.635 57.345 -0.086 0.000 1.285 594 W CB -0.459 28.981 29.460 -0.033 0.000 1.133 594 W HN 0.165 nan 8.180 nan 0.000 0.521 595 L N 1.678 122.972 121.223 0.117 0.000 1.971 595 L HA -0.265 4.074 4.340 -0.002 0.000 0.215 595 L C 2.381 179.067 176.870 -0.306 0.000 1.072 595 L CA 2.159 56.952 54.840 -0.078 0.000 0.758 595 L CB -1.609 40.537 42.059 0.146 0.000 0.889 595 L HN 0.030 nan 8.230 nan 0.000 0.433 596 K N -0.842 119.253 120.400 -0.508 0.000 2.127 596 K HA -0.269 4.050 4.320 -0.002 0.000 0.208 596 K C 1.824 178.234 176.600 -0.317 0.000 1.047 596 K CA 1.940 57.881 56.287 -0.575 0.000 0.927 596 K CB -0.287 31.818 32.500 -0.658 0.000 0.716 596 K HN 0.364 nan 8.250 nan 0.000 0.450 597 D N 0.160 120.346 120.400 -0.356 0.000 2.103 597 D HA -0.113 4.526 4.640 -0.002 0.000 0.199 597 D C 2.088 178.180 176.300 -0.346 0.000 0.978 597 D CA 0.830 54.638 54.000 -0.321 0.000 0.829 597 D CB 0.219 40.819 40.800 -0.334 0.000 0.981 597 D HN 0.034 nan 8.370 nan 0.000 0.464 598 Q N 0.180 119.654 119.800 -0.543 0.000 2.170 598 Q HA -0.070 4.269 4.340 -0.002 0.000 0.203 598 Q C 1.148 177.047 176.000 -0.169 0.000 0.976 598 Q CA 0.952 56.483 55.803 -0.455 0.000 0.858 598 Q CB -0.437 27.855 28.738 -0.743 0.000 0.907 598 Q HN 0.511 nan 8.270 nan 0.000 0.433 599 N N 0.716 119.357 118.700 -0.100 0.000 2.434 599 N HA -0.049 4.689 4.740 -0.002 0.000 0.196 599 N C 1.259 176.773 175.510 0.007 0.000 1.183 599 N CA -0.054 53.012 53.050 0.026 0.000 0.849 599 N CB 0.148 38.739 38.487 0.172 0.000 0.992 599 N HN 0.274 nan 8.380 nan 0.000 0.460 600 K N 0.062 120.436 120.400 -0.045 0.000 2.362 600 K HA -0.043 4.276 4.320 -0.002 0.000 0.200 600 K C 0.599 177.191 176.600 -0.012 0.000 1.046 600 K CA 1.098 57.365 56.287 -0.033 0.000 0.952 600 K CB 0.054 32.516 32.500 -0.063 0.000 0.753 600 K HN 0.149 nan 8.250 nan 0.000 0.466 601 N N 0.931 119.624 118.700 -0.011 0.000 2.401 601 N HA 0.086 4.825 4.740 -0.002 0.000 0.264 601 N C -1.298 174.222 175.510 0.017 0.000 1.238 601 N CA -0.345 52.704 53.050 -0.001 0.000 0.889 601 N CB 0.951 39.429 38.487 -0.015 0.000 1.196 601 N HN 0.222 nan 8.380 nan 0.000 0.511 602 S N -0.564 115.160 115.700 0.040 0.000 2.579 602 S HA 0.367 4.836 4.470 -0.002 0.000 0.272 602 S C -0.938 173.737 174.600 0.125 0.000 1.141 602 S CA -0.850 57.391 58.200 0.069 0.000 0.843 602 S CB 1.534 64.761 63.200 0.046 0.000 1.122 602 S HN 0.170 nan 8.310 nan 0.000 0.468 603 F N 1.688 121.629 119.950 -0.015 0.000 2.412 603 F HA 0.583 5.109 4.527 -0.002 0.000 0.348 603 F C -0.625 175.170 175.800 -0.007 0.000 1.102 603 F CA -0.411 57.578 58.000 -0.019 0.000 1.196 603 F CB 0.681 39.667 39.000 -0.024 0.000 1.144 603 F HN 0.396 nan 8.300 nan 0.000 0.541 604 V N 6.176 125.598 119.914 -0.819 0.000 2.334 604 V HA 0.777 4.896 4.120 -0.002 0.000 0.281 604 V C 0.188 175.651 176.094 -1.051 0.000 1.016 604 V CA 0.215 62.103 62.300 -0.687 0.000 0.832 604 V CB 0.341 31.860 31.823 -0.507 0.000 0.999 604 V HN 1.189 nan 8.190 nan 0.000 0.439 605 G N 4.543 112.885 108.800 -0.762 0.000 2.353 605 G HA2 0.132 4.091 3.960 -0.002 0.000 0.615 605 G HA3 0.132 4.091 3.960 -0.002 0.000 0.615 605 G C -1.456 173.212 174.900 -0.387 0.000 1.280 605 G CA -0.234 44.350 45.100 -0.859 0.000 1.000 605 G HN 1.380 nan 8.290 nan 0.000 0.516 606 W N -1.430 119.826 121.300 -0.073 0.000 3.018 606 W HA 0.833 5.492 4.660 -0.002 0.000 0.352 606 W C -0.162 176.466 176.519 0.182 0.000 1.230 606 W CA -0.908 56.504 57.345 0.112 0.000 1.162 606 W CB 1.311 30.785 29.460 0.023 0.000 1.483 606 W HN 1.259 nan 8.180 nan 0.000 0.584 607 S N 0.107 116.086 115.700 0.465 0.000 2.449 607 S HA 0.343 4.812 4.470 -0.002 0.000 0.310 607 S C 0.865 175.697 174.600 0.387 0.000 1.096 607 S CA 0.126 58.527 58.200 0.335 0.000 1.095 607 S CB 1.027 64.368 63.200 0.236 0.000 1.007 607 S HN 0.741 nan 8.310 nan 0.000 0.474 608 T N 1.284 116.041 114.554 0.337 0.000 3.035 608 T HA -0.004 4.345 4.350 -0.002 0.000 0.268 608 T C 0.778 175.608 174.700 0.216 0.000 1.109 608 T CA 0.862 63.138 62.100 0.293 0.000 1.119 608 T CB -0.276 68.746 68.868 0.256 0.000 0.900 608 T HN 0.545 nan 8.240 nan 0.000 0.503 609 D N 0.088 120.607 120.400 0.199 0.000 2.277 609 D HA 0.093 4.732 4.640 -0.002 0.000 0.208 609 D C 0.164 176.544 176.300 0.133 0.000 0.962 609 D CA 0.211 54.295 54.000 0.140 0.000 0.865 609 D CB -0.132 40.738 40.800 0.116 0.000 0.939 609 D HN 0.637 nan 8.370 nan 0.000 0.510 610 W N 1.865 123.169 121.300 0.006 0.000 2.261 610 W HA 0.301 4.960 4.660 -0.002 0.000 0.323 610 W C -0.262 176.183 176.519 -0.124 0.000 1.243 610 W CA -0.170 57.148 57.345 -0.045 0.000 1.210 610 W CB 0.660 30.117 29.460 -0.004 0.000 1.149 610 W HN -0.270 nan 8.180 nan 0.000 0.562 611 S N 4.614 119.608 115.700 -1.178 0.000 2.564 611 S HA 0.445 4.914 4.470 -0.002 0.000 0.274 611 S C -2.491 171.013 174.600 -1.827 0.000 1.124 611 S CA -1.311 56.046 58.200 -1.405 0.000 0.869 611 S CB 2.196 64.590 63.200 -1.344 0.000 1.105 611 S HN 0.375 nan 8.310 nan 0.000 0.472 612 P HA 0.098 nan 4.420 nan 0.000 0.241 612 P C 0.418 177.517 177.300 -0.334 0.000 1.191 612 P CA 0.336 63.042 63.100 -0.657 0.000 0.771 612 P CB -0.325 31.287 31.700 -0.147 0.000 0.929 613 Y N -2.715 117.376 120.300 -0.349 0.000 2.483 613 Y HA 0.607 5.156 4.550 -0.002 0.000 0.258 613 Y C 1.705 177.485 175.900 -0.200 0.000 1.083 613 Y CA -0.219 57.749 58.100 -0.220 0.000 1.283 613 Y CB -1.060 37.282 38.460 -0.196 0.000 1.178 613 Y HN -0.203 nan 8.280 nan 0.000 0.515 614 A N 0.956 123.492 122.820 -0.473 0.000 2.281 614 A HA 0.111 4.430 4.320 -0.002 0.000 0.231 614 A C -0.067 177.399 177.584 -0.196 0.000 1.317 614 A CA 0.116 51.999 52.037 -0.257 0.000 0.959 614 A CB -1.049 17.716 19.000 -0.393 0.000 0.900 614 A HN 0.409 nan 8.150 nan 0.000 0.497 615 D N 0.000 120.301 120.400 -0.165 0.000 6.856 615 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 615 D CA 0.000 53.928 54.000 -0.120 0.000 0.868 615 D CB 0.000 40.717 40.800 -0.138 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683