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 3d0h_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 0.000 174.617 174.600 0.028 0.000 1.055 19 S CA 0.000 58.217 58.200 0.028 0.000 1.107 19 S CB 0.000 63.224 63.200 0.041 0.000 0.593 20 T N -0.586 113.988 114.554 0.033 0.000 2.885 20 T HA 0.313 4.663 4.350 -0.001 0.000 0.356 20 T C 1.230 175.957 174.700 0.045 0.000 1.137 20 T CA 1.069 63.187 62.100 0.031 0.000 1.014 20 T CB -0.314 68.573 68.868 0.031 0.000 1.410 20 T HN 0.524 nan 8.240 nan 0.000 0.532 21 T N -0.527 114.054 114.554 0.046 0.000 2.939 21 T HA 0.084 4.433 4.350 -0.001 0.000 0.254 21 T C 1.889 176.669 174.700 0.134 0.000 1.041 21 T CA 1.003 63.144 62.100 0.068 0.000 1.142 21 T CB -0.405 68.485 68.868 0.037 0.000 0.874 21 T HN 0.774 nan 8.240 nan 0.000 0.452 22 E N 1.126 121.384 120.200 0.096 0.000 2.077 22 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 22 E C 2.127 178.786 176.600 0.098 0.000 0.989 22 E CA 1.191 57.647 56.400 0.092 0.000 0.800 22 E CB 0.002 29.736 29.700 0.056 0.000 0.746 22 E HN 0.309 nan 8.360 nan 0.000 0.452 23 E N 0.410 120.663 120.200 0.087 0.000 2.085 23 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 23 E C 2.042 178.713 176.600 0.119 0.000 0.994 23 E CA 1.022 57.473 56.400 0.084 0.000 0.801 23 E CB -0.160 29.580 29.700 0.065 0.000 0.743 23 E HN 0.314 nan 8.360 nan 0.000 0.453 24 L N -0.430 120.892 121.223 0.165 0.000 2.083 24 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 24 L C 2.396 179.452 176.870 0.309 0.000 1.083 24 L CA 1.079 56.069 54.840 0.249 0.000 0.752 24 L CB -0.521 41.703 42.059 0.274 0.000 0.899 24 L HN 0.201 nan 8.230 nan 0.000 0.433 25 A N 0.014 122.988 122.820 0.256 0.000 1.877 25 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 25 A C 2.291 179.880 177.584 0.008 0.000 1.186 25 A CA 1.448 53.446 52.037 -0.064 0.000 0.620 25 A CB -0.335 18.649 19.000 -0.026 0.000 0.822 25 A HN 0.236 nan 8.150 nan 0.000 0.443 26 K N -0.425 120.007 120.400 0.053 0.000 2.052 26 K HA -0.198 4.121 4.320 -0.001 0.000 0.215 26 K C 2.001 178.643 176.600 0.070 0.000 1.053 26 K CA 2.159 58.476 56.287 0.051 0.000 0.934 26 K CB -1.385 31.150 32.500 0.058 0.000 0.717 26 K HN 0.569 nan 8.250 nan 0.000 0.450 27 T N 1.292 115.909 114.554 0.105 0.000 2.867 27 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 27 T C 1.605 176.403 174.700 0.164 0.000 1.057 27 T CA 1.099 63.274 62.100 0.126 0.000 1.136 27 T CB -0.366 68.581 68.868 0.131 0.000 0.874 27 T HN 0.301 nan 8.240 nan 0.000 0.466 28 F N 1.691 121.641 119.950 0.001 0.000 2.084 28 F HA -0.072 4.454 4.527 -0.001 0.000 0.296 28 F C 1.867 177.688 175.800 0.035 0.000 1.111 28 F CA 0.861 58.849 58.000 -0.021 0.000 1.224 28 F CB -0.165 38.680 39.000 -0.258 0.000 0.991 28 F HN -0.050 nan 8.300 nan 0.000 0.471 29 L N 0.951 122.003 121.223 -0.285 0.000 2.046 29 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 29 L C 2.318 179.156 176.870 -0.053 0.000 1.077 29 L CA 1.722 56.387 54.840 -0.292 0.000 0.747 29 L CB -1.599 40.379 42.059 -0.135 0.000 0.896 29 L HN 0.318 nan 8.230 nan 0.000 0.432 30 E N -0.757 119.461 120.200 0.030 0.000 2.058 30 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 30 E C 2.000 178.747 176.600 0.245 0.000 0.997 30 E CA 1.887 58.374 56.400 0.145 0.000 0.801 30 E CB -0.080 29.739 29.700 0.199 0.000 0.746 30 E HN 0.447 nan 8.360 nan 0.000 0.450 31 T N 0.856 115.505 114.554 0.158 0.000 2.788 31 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 31 T C 1.438 176.225 174.700 0.144 0.000 1.044 31 T CA 1.071 63.268 62.100 0.162 0.000 1.139 31 T CB -0.358 68.604 68.868 0.157 0.000 0.867 31 T HN 0.193 nan 8.240 nan 0.000 0.454 32 F N 2.277 122.152 119.950 -0.125 0.000 2.031 32 F HA -0.168 4.359 4.527 -0.001 0.000 0.295 32 F C 2.079 177.848 175.800 -0.053 0.000 1.133 32 F CA 1.597 59.532 58.000 -0.109 0.000 1.188 32 F CB -0.551 38.218 39.000 -0.385 0.000 0.974 32 F HN 0.174 nan 8.300 nan 0.000 0.473 33 N N -0.817 117.781 118.700 -0.171 0.000 2.058 33 N HA -0.346 4.394 4.740 -0.001 0.000 0.200 33 N C 1.751 176.993 175.510 -0.446 0.000 1.033 33 N CA 2.285 55.112 53.050 -0.373 0.000 0.880 33 N CB -0.806 37.526 38.487 -0.259 0.000 1.069 33 N HN 0.329 nan 8.380 nan 0.000 0.461 34 Y N 0.657 120.815 120.300 -0.236 0.000 2.207 34 Y HA -0.192 4.357 4.550 -0.001 0.000 0.287 34 Y C 2.607 178.330 175.900 -0.295 0.000 1.156 34 Y CA 1.181 59.150 58.100 -0.219 0.000 1.182 34 Y CB -0.158 38.221 38.460 -0.134 0.000 0.979 34 Y HN 0.153 nan 8.280 nan 0.000 0.521 35 E N 0.191 120.293 120.200 -0.163 0.000 2.051 35 E HA -0.089 4.261 4.350 -0.001 0.000 0.189 35 E C 2.290 178.549 176.600 -0.569 0.000 0.979 35 E CA 1.152 57.351 56.400 -0.335 0.000 0.803 35 E CB -0.490 29.049 29.700 -0.267 0.000 0.761 35 E HN 0.276 nan 8.360 nan 0.000 0.451 36 A N 0.896 123.340 122.820 -0.628 0.000 1.883 36 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 36 A C 2.148 179.168 177.584 -0.941 0.000 1.186 36 A CA 1.875 53.474 52.037 -0.730 0.000 0.624 36 A CB -0.714 17.501 19.000 -1.309 0.000 0.822 36 A HN 0.356 nan 8.150 nan 0.000 0.444 37 Q N -0.776 118.490 119.800 -0.891 0.000 2.152 37 Q HA -0.221 4.119 4.340 -0.001 0.000 0.206 37 Q C 1.852 177.629 176.000 -0.372 0.000 0.985 37 Q CA 1.524 56.992 55.803 -0.558 0.000 0.863 37 Q CB -0.224 28.284 28.738 -0.384 0.000 0.904 37 Q HN 0.638 nan 8.270 nan 0.000 0.422 38 E N 0.402 120.381 120.200 -0.368 0.000 2.107 38 E HA -0.057 4.292 4.350 -0.001 0.000 0.191 38 E C 2.104 178.550 176.600 -0.255 0.000 0.982 38 E CA 0.660 56.907 56.400 -0.256 0.000 0.809 38 E CB -0.036 29.527 29.700 -0.229 0.000 0.756 38 E HN 0.383 nan 8.360 nan 0.000 0.459 39 L N 0.360 121.341 121.223 -0.403 0.000 2.127 39 L HA -0.017 4.322 4.340 -0.001 0.000 0.203 39 L C 2.609 179.161 176.870 -0.529 0.000 1.080 39 L CA 0.839 55.468 54.840 -0.352 0.000 0.768 39 L CB -0.446 41.471 42.059 -0.237 0.000 0.924 39 L HN 0.077 nan 8.230 nan 0.000 0.444 40 S N -0.537 114.568 115.700 -0.991 0.000 2.383 40 S HA -0.271 4.198 4.470 -0.001 0.000 0.229 40 S C 2.068 176.432 174.600 -0.393 0.000 1.030 40 S CA 1.364 58.878 58.200 -1.144 0.000 1.002 40 S CB -0.320 62.350 63.200 -0.885 0.000 0.829 40 S HN 0.436 nan 8.310 nan 0.000 0.467 41 Y N 1.737 121.835 120.300 -0.335 0.000 2.133 41 Y HA -0.054 4.495 4.550 -0.001 0.000 0.287 41 Y C 2.509 178.342 175.900 -0.112 0.000 1.134 41 Y CA 2.152 60.147 58.100 -0.174 0.000 1.133 41 Y CB -0.739 37.623 38.460 -0.162 0.000 0.987 41 Y HN 0.364 nan 8.280 nan 0.000 0.502 42 Q N -0.980 118.774 119.800 -0.076 0.000 2.181 42 Q HA -0.218 4.121 4.340 -0.001 0.000 0.205 42 Q C 2.539 178.489 176.000 -0.084 0.000 0.980 42 Q CA 1.685 57.433 55.803 -0.092 0.000 0.862 42 Q CB -0.350 28.372 28.738 -0.026 0.000 0.905 42 Q HN 0.398 nan 8.270 nan 0.000 0.429 43 S N -0.123 115.530 115.700 -0.078 0.000 2.356 43 S HA -0.159 4.310 4.470 -0.001 0.000 0.223 43 S C 2.062 176.704 174.600 0.070 0.000 1.032 43 S CA 1.512 59.730 58.200 0.029 0.000 1.005 43 S CB -0.130 63.108 63.200 0.063 0.000 0.867 43 S HN 0.318 nan 8.310 nan 0.000 0.449 44 S N 0.627 116.330 115.700 0.004 0.000 2.368 44 S HA -0.060 4.410 4.470 -0.001 0.000 0.225 44 S C 1.883 176.565 174.600 0.137 0.000 1.030 44 S CA 1.357 59.634 58.200 0.129 0.000 0.999 44 S CB -0.412 62.819 63.200 0.052 0.000 0.844 44 S HN 0.424 nan 8.310 nan 0.000 0.459 45 V N 1.857 121.667 119.914 -0.172 0.000 2.515 45 V HA -0.162 3.958 4.120 -0.001 0.000 0.250 45 V C 2.501 178.629 176.094 0.057 0.000 1.058 45 V CA 1.536 63.734 62.300 -0.170 0.000 1.064 45 V CB -1.208 30.385 31.823 -0.383 0.000 0.675 45 V HN 0.517 nan 8.190 nan 0.000 0.461 46 A N -0.561 122.304 122.820 0.076 0.000 1.841 46 A HA -0.194 4.125 4.320 -0.001 0.000 0.214 46 A C 2.512 180.238 177.584 0.235 0.000 1.195 46 A CA 2.012 54.127 52.037 0.131 0.000 0.611 46 A CB -1.011 18.049 19.000 0.099 0.000 0.835 46 A HN 0.421 nan 8.150 nan 0.000 0.443 47 S N -1.495 114.390 115.700 0.307 0.000 2.389 47 S HA -0.233 4.236 4.470 -0.001 0.000 0.231 47 S C 1.611 176.525 174.600 0.523 0.000 1.052 47 S CA 1.601 60.081 58.200 0.467 0.000 1.053 47 S CB -0.464 63.058 63.200 0.537 0.000 0.886 47 S HN 0.713 nan 8.310 nan 0.000 0.456 48 W N 2.264 123.670 121.300 0.177 0.000 2.352 48 W HA -0.130 4.530 4.660 -0.001 0.000 0.322 48 W C 1.783 178.204 176.519 -0.164 0.000 1.208 48 W CA 1.529 58.679 57.345 -0.324 0.000 1.286 48 W CB -1.120 28.050 29.460 -0.484 0.000 1.167 48 W HN 0.403 nan 8.180 nan 0.000 0.469 49 N N -0.616 118.190 118.700 0.176 0.000 2.334 49 N HA -0.275 4.464 4.740 -0.001 0.000 0.187 49 N C 1.617 177.136 175.510 0.015 0.000 1.016 49 N CA 1.553 54.654 53.050 0.085 0.000 0.879 49 N CB -0.544 38.030 38.487 0.144 0.000 0.965 49 N HN 0.204 nan 8.380 nan 0.000 0.438 50 Y N 2.041 122.312 120.300 -0.048 0.000 2.153 50 Y HA 0.009 4.559 4.550 -0.001 0.000 0.289 50 Y C 1.580 177.420 175.900 -0.100 0.000 1.119 50 Y CA 1.317 59.397 58.100 -0.033 0.000 1.116 50 Y CB -0.519 37.966 38.460 0.042 0.000 1.004 50 Y HN -0.092 nan 8.280 nan 0.000 0.501 51 N N -0.522 117.924 118.700 -0.424 0.000 2.513 51 N HA -0.115 4.625 4.740 -0.001 0.000 0.187 51 N C 1.228 176.389 175.510 -0.582 0.000 1.056 51 N CA 1.778 54.513 53.050 -0.524 0.000 0.907 51 N CB -0.232 38.131 38.487 -0.206 0.000 0.954 51 N HN 0.619 nan 8.380 nan 0.000 0.445 52 T N -4.810 109.350 114.554 -0.656 0.000 3.010 52 T HA 0.190 4.540 4.350 -0.001 0.000 0.257 52 T C 0.202 174.703 174.700 -0.332 0.000 1.020 52 T CA -0.386 61.364 62.100 -0.583 0.000 0.938 52 T CB 0.204 68.587 68.868 -0.810 0.000 1.049 52 T HN -0.041 nan 8.240 nan 0.000 0.522 53 N N 1.042 119.577 118.700 -0.276 0.000 2.793 53 N HA 0.253 4.992 4.740 -0.001 0.000 0.251 53 N C -1.026 174.421 175.510 -0.105 0.000 1.308 53 N CA -0.567 52.396 53.050 -0.145 0.000 0.781 53 N CB 0.449 38.889 38.487 -0.078 0.000 1.439 53 N HN 0.303 nan 8.380 nan 0.000 0.562 54 I N 1.934 122.429 120.570 -0.126 0.000 2.426 54 I HA 0.066 4.236 4.170 -0.001 0.000 0.282 54 I C 0.392 176.557 176.117 0.081 0.000 1.064 54 I CA 0.077 61.353 61.300 -0.040 0.000 2.047 54 I CB -1.023 36.936 38.000 -0.067 0.000 1.497 54 I HN 0.278 nan 8.210 nan 0.000 0.899 55 T N -0.383 114.231 114.554 0.100 0.000 2.847 55 T HA 0.119 4.469 4.350 -0.001 0.000 0.279 55 T C 1.103 175.872 174.700 0.115 0.000 0.984 55 T CA -0.550 61.602 62.100 0.086 0.000 0.988 55 T CB 2.109 71.013 68.868 0.060 0.000 1.040 55 T HN 0.317 nan 8.240 nan 0.000 0.528 56 E N 0.764 121.010 120.200 0.077 0.000 2.076 56 E HA -0.115 4.235 4.350 -0.001 0.000 0.190 56 E C 2.054 178.684 176.600 0.049 0.000 0.979 56 E CA 1.341 57.779 56.400 0.063 0.000 0.807 56 E CB -0.219 29.508 29.700 0.046 0.000 0.761 56 E HN 0.832 nan 8.360 nan 0.000 0.454 57 E N -0.348 119.880 120.200 0.047 0.000 2.204 57 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 57 E C 1.573 178.202 176.600 0.049 0.000 0.990 57 E CA 1.345 57.769 56.400 0.040 0.000 0.821 57 E CB -0.313 29.408 29.700 0.036 0.000 0.750 57 E HN 0.186 nan 8.360 nan 0.000 0.477 58 N N 0.716 119.462 118.700 0.076 0.000 2.171 58 N HA -0.096 4.644 4.740 -0.001 0.000 0.184 58 N C 1.788 177.345 175.510 0.078 0.000 1.021 58 N CA 0.943 54.058 53.050 0.108 0.000 0.854 58 N CB -0.136 38.451 38.487 0.167 0.000 0.994 58 N HN 0.005 nan 8.380 nan 0.000 0.426 59 V N 0.592 120.535 119.914 0.048 0.000 2.594 59 V HA -0.240 3.879 4.120 -0.001 0.000 0.253 59 V C 2.164 178.185 176.094 -0.122 0.000 1.069 59 V CA 1.597 63.797 62.300 -0.166 0.000 1.082 59 V CB -0.256 31.504 31.823 -0.106 0.000 0.680 59 V HN 0.276 nan 8.190 nan 0.000 0.469 60 Q N 0.660 120.439 119.800 -0.034 0.000 1.941 60 Q HA -0.136 4.204 4.340 -0.001 0.000 0.201 60 Q C 2.084 178.078 176.000 -0.009 0.000 0.982 60 Q CA 2.325 58.117 55.803 -0.018 0.000 0.839 60 Q CB -0.519 28.222 28.738 0.005 0.000 0.904 60 Q HN 0.650 nan 8.270 nan 0.000 0.427 61 N N -0.264 118.443 118.700 0.012 0.000 2.272 61 N HA -0.163 4.576 4.740 -0.001 0.000 0.185 61 N C 1.596 177.125 175.510 0.032 0.000 1.014 61 N CA 1.006 54.072 53.050 0.027 0.000 0.870 61 N CB -0.217 38.293 38.487 0.037 0.000 0.975 61 N HN 0.350 nan 8.380 nan 0.000 0.433 62 M N 1.311 120.919 119.600 0.014 0.000 2.108 62 M HA -0.182 4.297 4.480 -0.001 0.000 0.261 62 M C 1.035 177.348 176.300 0.021 0.000 1.066 62 M CA 1.668 56.980 55.300 0.020 0.000 1.107 62 M CB -0.477 32.068 32.600 -0.091 0.000 1.356 62 M HN 0.059 nan 8.290 nan 0.000 0.406 63 N N 0.502 119.194 118.700 -0.013 0.000 2.062 63 N HA -0.116 4.623 4.740 -0.001 0.000 0.191 63 N C 1.361 176.898 175.510 0.045 0.000 1.042 63 N CA 1.591 54.646 53.050 0.008 0.000 0.845 63 N CB -0.394 38.083 38.487 -0.016 0.000 1.024 63 N HN 0.337 nan 8.380 nan 0.000 0.424 64 N N 1.044 119.767 118.700 0.039 0.000 2.023 64 N HA -0.231 4.508 4.740 -0.001 0.000 0.200 64 N C 1.671 177.230 175.510 0.082 0.000 1.048 64 N CA 1.784 54.865 53.050 0.053 0.000 0.872 64 N CB -0.843 37.669 38.487 0.041 0.000 1.070 64 N HN 0.278 nan 8.380 nan 0.000 0.441 65 A N 0.657 123.526 122.820 0.083 0.000 1.908 65 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 65 A C 2.357 180.051 177.584 0.184 0.000 1.181 65 A CA 2.144 54.244 52.037 0.105 0.000 0.627 65 A CB -1.228 17.816 19.000 0.072 0.000 0.818 65 A HN 0.447 nan 8.150 nan 0.000 0.445 66 G N -1.016 107.892 108.800 0.180 0.000 2.559 66 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.216 66 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.216 66 G C 0.926 175.948 174.900 0.204 0.000 1.126 66 G CA 1.114 46.358 45.100 0.239 0.000 0.778 66 G HN 0.503 nan 8.290 nan 0.000 0.543 67 D N 0.386 120.878 120.400 0.154 0.000 2.259 67 D HA 0.047 4.686 4.640 -0.001 0.000 0.216 67 D C 2.331 178.724 176.300 0.156 0.000 0.961 67 D CA 0.426 54.498 54.000 0.120 0.000 0.878 67 D CB -0.080 40.767 40.800 0.078 0.000 1.009 67 D HN 0.180 nan 8.370 nan 0.000 0.490 68 K N 0.432 120.939 120.400 0.178 0.000 2.063 68 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 68 K C 2.046 178.858 176.600 0.353 0.000 1.048 68 K CA 0.880 57.291 56.287 0.208 0.000 0.928 68 K CB -0.105 32.487 32.500 0.153 0.000 0.713 68 K HN 0.328 nan 8.250 nan 0.000 0.442 69 W N 1.856 123.240 121.300 0.140 0.000 2.352 69 W HA -0.268 4.392 4.660 -0.001 0.000 0.322 69 W C 2.160 178.818 176.519 0.231 0.000 1.208 69 W CA 1.659 59.128 57.345 0.208 0.000 1.286 69 W CB -0.154 29.401 29.460 0.158 0.000 1.167 69 W HN 0.113 nan 8.180 nan 0.000 0.469 70 S N 0.921 116.656 115.700 0.057 0.000 2.419 70 S HA -0.145 4.325 4.470 -0.001 0.000 0.233 70 S C 1.836 176.413 174.600 -0.038 0.000 1.016 70 S CA 1.209 59.322 58.200 -0.146 0.000 0.974 70 S CB -0.898 62.251 63.200 -0.085 0.000 0.786 70 S HN 0.369 nan 8.310 nan 0.000 0.492 71 A N 1.297 124.168 122.820 0.086 0.000 1.930 71 A HA 0.182 4.502 4.320 -0.001 0.000 0.215 71 A C 1.874 179.552 177.584 0.156 0.000 1.176 71 A CA 1.050 53.148 52.037 0.102 0.000 0.632 71 A CB -0.828 18.245 19.000 0.122 0.000 0.819 71 A HN 0.550 nan 8.150 nan 0.000 0.445 72 F N 0.600 120.614 119.950 0.107 0.000 2.206 72 F HA -0.035 4.492 4.527 -0.001 0.000 0.298 72 F C 1.688 177.578 175.800 0.151 0.000 1.090 72 F CA 1.280 59.376 58.000 0.160 0.000 1.323 72 F CB -0.404 38.744 39.000 0.246 0.000 1.028 72 F HN 0.112 nan 8.300 nan 0.000 0.492 73 L N 0.443 121.516 121.223 -0.249 0.000 2.079 73 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 73 L C 2.749 179.472 176.870 -0.244 0.000 1.081 73 L CA 1.517 56.122 54.840 -0.392 0.000 0.752 73 L CB -0.749 41.005 42.059 -0.509 0.000 0.896 73 L HN 0.089 nan 8.230 nan 0.000 0.433 74 K N 0.334 120.650 120.400 -0.140 0.000 1.984 74 K HA -0.218 4.102 4.320 -0.001 0.000 0.209 74 K C 1.952 178.522 176.600 -0.051 0.000 1.046 74 K CA 1.601 57.841 56.287 -0.077 0.000 0.934 74 K CB -0.227 32.251 32.500 -0.037 0.000 0.717 74 K HN 0.289 nan 8.250 nan 0.000 0.438 75 E N 0.198 120.390 120.200 -0.014 0.000 2.113 75 E HA -0.280 4.070 4.350 -0.001 0.000 0.210 75 E C 1.900 178.508 176.600 0.013 0.000 1.040 75 E CA 1.756 58.174 56.400 0.030 0.000 0.847 75 E CB 0.105 29.872 29.700 0.112 0.000 0.755 75 E HN 0.260 nan 8.360 nan 0.000 0.459 76 Q N -0.200 119.552 119.800 -0.080 0.000 2.172 76 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 76 Q C 2.425 178.423 176.000 -0.005 0.000 0.964 76 Q CA 1.522 57.309 55.803 -0.027 0.000 0.855 76 Q CB -0.229 28.373 28.738 -0.226 0.000 0.918 76 Q HN 0.403 nan 8.270 nan 0.000 0.444 77 S N 0.609 116.260 115.700 -0.081 0.000 2.343 77 S HA -0.154 4.316 4.470 -0.001 0.000 0.219 77 S C 2.173 176.760 174.600 -0.023 0.000 1.033 77 S CA 1.948 60.109 58.200 -0.065 0.000 1.014 77 S CB -1.140 62.014 63.200 -0.077 0.000 0.915 77 S HN 0.492 nan 8.310 nan 0.000 0.435 78 T N 1.264 115.806 114.554 -0.019 0.000 2.803 78 T HA 0.044 4.393 4.350 -0.001 0.000 0.269 78 T C 1.818 176.506 174.700 -0.020 0.000 1.052 78 T CA 1.307 63.398 62.100 -0.015 0.000 1.136 78 T CB -0.796 68.066 68.868 -0.010 0.000 0.864 78 T HN 0.344 nan 8.240 nan 0.000 0.467 79 L N 0.525 121.744 121.223 -0.007 0.000 2.156 79 L HA 0.174 4.513 4.340 -0.001 0.000 0.208 79 L C 3.198 179.972 176.870 -0.160 0.000 1.095 79 L CA 0.906 55.715 54.840 -0.052 0.000 0.770 79 L CB -0.574 41.498 42.059 0.022 0.000 0.914 79 L HN 0.362 nan 8.230 nan 0.000 0.439 80 A N -0.849 121.935 122.820 -0.060 0.000 1.969 80 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 80 A C 2.132 179.737 177.584 0.036 0.000 1.169 80 A CA 1.039 53.056 52.037 -0.033 0.000 0.635 80 A CB -0.351 18.737 19.000 0.146 0.000 0.810 80 A HN 0.298 nan 8.150 nan 0.000 0.445 81 Q N -0.365 119.435 119.800 -0.001 0.000 2.325 81 Q HA -0.081 4.258 4.340 -0.001 0.000 0.211 81 Q C 1.521 177.506 176.000 -0.026 0.000 0.988 81 Q CA 1.379 57.177 55.803 -0.009 0.000 0.887 81 Q CB -0.614 28.110 28.738 -0.023 0.000 0.915 81 Q HN 0.751 nan 8.270 nan 0.000 0.440 82 M N -0.596 118.971 119.600 -0.055 0.000 2.608 82 M HA 0.082 4.562 4.480 -0.001 0.000 0.224 82 M C -0.868 175.245 176.300 -0.312 0.000 1.204 82 M CA 0.105 55.300 55.300 -0.176 0.000 0.984 82 M CB 0.242 32.692 32.600 -0.250 0.000 1.691 82 M HN -0.062 nan 8.290 nan 0.000 0.469 83 Y N 1.426 121.646 120.300 -0.132 0.000 2.332 83 Y HA 0.335 4.885 4.550 -0.001 0.000 0.326 83 Y C -2.142 173.723 175.900 -0.059 0.000 0.978 83 Y CA -2.757 55.285 58.100 -0.096 0.000 1.205 83 Y CB 1.167 39.570 38.460 -0.094 0.000 1.131 83 Y HN 0.016 nan 8.280 nan 0.000 0.462 84 P HA 0.041 nan 4.420 nan 0.000 0.271 84 P C 0.630 177.960 177.300 0.050 0.000 1.380 84 P CA 0.045 63.158 63.100 0.022 0.000 0.992 84 P CB 0.392 32.084 31.700 -0.014 0.000 1.230 85 L N 1.946 123.196 121.223 0.044 0.000 2.291 85 L HA -0.120 4.219 4.340 -0.001 0.000 0.214 85 L C 1.783 178.663 176.870 0.016 0.000 1.120 85 L CA 1.018 55.880 54.840 0.036 0.000 0.799 85 L CB -1.047 41.026 42.059 0.024 0.000 0.925 85 L HN 0.034 nan 8.230 nan 0.000 0.446 86 Q N 1.181 120.984 119.800 0.005 0.000 2.124 86 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 86 Q C 1.753 177.754 176.000 0.002 0.000 0.977 86 Q CA 1.695 57.496 55.803 -0.003 0.000 0.850 86 Q CB -0.407 28.324 28.738 -0.012 0.000 0.901 86 Q HN 0.673 nan 8.270 nan 0.000 0.429 87 E N 0.195 120.400 120.200 0.008 0.000 2.321 87 E HA 0.131 4.480 4.350 -0.001 0.000 0.189 87 E C -0.787 175.827 176.600 0.025 0.000 1.125 87 E CA -0.128 56.279 56.400 0.011 0.000 1.005 87 E CB 0.059 29.763 29.700 0.007 0.000 1.140 87 E HN 0.269 nan 8.360 nan 0.000 0.457 88 I N 1.768 122.352 120.570 0.024 0.000 2.569 88 I HA 0.121 4.290 4.170 -0.001 0.000 0.290 88 I C -0.491 175.635 176.117 0.014 0.000 1.088 88 I CA -0.745 60.572 61.300 0.028 0.000 1.047 88 I CB 2.012 40.036 38.000 0.040 0.000 1.237 88 I HN -0.019 nan 8.210 nan 0.000 0.421 89 Q N 5.970 125.777 119.800 0.012 0.000 2.831 89 Q HA 0.290 4.630 4.340 -0.001 0.000 0.366 89 Q C -1.155 174.846 176.000 0.002 0.000 0.899 89 Q CA -0.256 55.550 55.803 0.004 0.000 0.987 89 Q CB 0.779 29.518 28.738 0.002 0.000 1.382 89 Q HN 0.782 nan 8.270 nan 0.000 0.403 90 N N 2.219 120.920 118.700 0.001 0.000 2.722 90 N HA 0.102 4.842 4.740 -0.001 0.000 0.242 90 N C 0.075 175.579 175.510 -0.009 0.000 1.398 90 N CA -0.088 52.961 53.050 -0.003 0.000 0.755 90 N CB 0.594 39.083 38.487 0.004 0.000 1.268 90 N HN 0.098 nan 8.380 nan 0.000 0.522 91 L N 0.876 122.089 121.223 -0.017 0.000 2.143 91 L HA -0.377 3.963 4.340 -0.001 0.000 0.231 91 L C 2.406 179.261 176.870 -0.025 0.000 1.106 91 L CA 2.309 57.133 54.840 -0.025 0.000 0.827 91 L CB -1.513 40.524 42.059 -0.037 0.000 0.915 91 L HN 0.496 nan 8.230 nan 0.000 0.448 92 T N -0.424 114.115 114.554 -0.024 0.000 2.570 92 T HA -0.254 4.096 4.350 -0.001 0.000 0.266 92 T C 1.894 176.582 174.700 -0.019 0.000 1.071 92 T CA 2.542 64.628 62.100 -0.023 0.000 1.172 92 T CB -0.738 68.119 68.868 -0.017 0.000 0.864 92 T HN 0.416 nan 8.240 nan 0.000 0.421 93 V N 1.012 120.918 119.914 -0.012 0.000 2.295 93 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 93 V C 2.175 178.260 176.094 -0.014 0.000 1.049 93 V CA 1.721 64.014 62.300 -0.011 0.000 1.024 93 V CB -0.953 30.870 31.823 -0.001 0.000 0.648 93 V HN 0.447 nan 8.190 nan 0.000 0.447 94 K N 0.591 120.985 120.400 -0.010 0.000 2.044 94 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 94 K C 2.247 178.837 176.600 -0.017 0.000 1.049 94 K CA 2.143 58.425 56.287 -0.008 0.000 0.927 94 K CB -0.666 31.828 32.500 -0.009 0.000 0.713 94 K HN 0.436 nan 8.250 nan 0.000 0.443 95 L N 1.666 122.875 121.223 -0.023 0.000 1.956 95 L HA -0.309 4.030 4.340 -0.001 0.000 0.216 95 L C 2.978 179.828 176.870 -0.033 0.000 1.073 95 L CA 1.760 56.582 54.840 -0.029 0.000 0.762 95 L CB -0.704 41.334 42.059 -0.036 0.000 0.889 95 L HN 0.336 nan 8.230 nan 0.000 0.433 96 Q N -0.511 119.269 119.800 -0.034 0.000 2.084 96 Q HA -0.266 4.074 4.340 -0.001 0.000 0.202 96 Q C 2.249 178.206 176.000 -0.072 0.000 0.978 96 Q CA 1.575 57.354 55.803 -0.040 0.000 0.844 96 Q CB -0.742 27.985 28.738 -0.019 0.000 0.898 96 Q HN 0.370 nan 8.270 nan 0.000 0.426 97 L N 1.214 122.403 121.223 -0.057 0.000 2.042 97 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 97 L C 2.501 179.351 176.870 -0.034 0.000 1.076 97 L CA 2.042 56.856 54.840 -0.044 0.000 0.749 97 L CB -0.636 41.414 42.059 -0.014 0.000 0.893 97 L HN 0.302 nan 8.230 nan 0.000 0.432 98 Q N -0.918 118.865 119.800 -0.028 0.000 2.269 98 Q HA -0.051 4.288 4.340 -0.001 0.000 0.201 98 Q C 2.027 178.009 176.000 -0.030 0.000 0.946 98 Q CA 1.085 56.875 55.803 -0.022 0.000 0.877 98 Q CB 0.031 28.759 28.738 -0.015 0.000 0.963 98 Q HN 0.626 nan 8.270 nan 0.000 0.472 99 A N 0.789 123.585 122.820 -0.040 0.000 2.019 99 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 99 A C 1.993 179.540 177.584 -0.062 0.000 1.164 99 A CA 0.792 52.805 52.037 -0.040 0.000 0.644 99 A CB -0.408 18.571 19.000 -0.036 0.000 0.805 99 A HN 0.427 nan 8.150 nan 0.000 0.449 100 L N -1.241 119.918 121.223 -0.106 0.000 2.307 100 L HA 0.021 4.360 4.340 -0.001 0.000 0.211 100 L C 1.149 177.961 176.870 -0.096 0.000 1.099 100 L CA 0.301 55.037 54.840 -0.174 0.000 0.816 100 L CB -0.044 41.817 42.059 -0.331 0.000 0.952 100 L HN 0.401 nan 8.230 nan 0.000 0.455 101 Q N 1.048 120.818 119.800 -0.050 0.000 3.151 101 Q HA -0.024 4.316 4.340 -0.001 0.000 0.277 101 Q C -0.565 175.427 176.000 -0.012 0.000 1.343 101 Q CA 0.089 55.879 55.803 -0.023 0.000 0.925 101 Q CB 0.091 28.823 28.738 -0.010 0.000 1.771 101 Q HN 0.244 nan 8.270 nan 0.000 0.514 102 Q N -0.297 119.494 119.800 -0.015 0.000 2.351 102 Q HA 0.271 4.611 4.340 -0.001 0.000 0.273 102 Q C 0.023 176.036 176.000 0.022 0.000 1.077 102 Q CA -0.382 55.431 55.803 0.016 0.000 0.843 102 Q CB 1.217 29.958 28.738 0.006 0.000 1.367 102 Q HN 0.156 nan 8.270 nan 0.000 0.449 103 N N 0.487 119.224 118.700 0.062 0.000 2.397 103 N HA 0.136 4.875 4.740 -0.001 0.000 0.190 103 N C 0.377 175.912 175.510 0.042 0.000 1.099 103 N CA 0.904 53.983 53.050 0.048 0.000 0.876 103 N CB 0.586 39.112 38.487 0.066 0.000 1.143 103 N HN 0.791 nan 8.380 nan 0.000 0.468 104 G N 0.971 109.821 108.800 0.083 0.000 2.581 104 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.291 104 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.291 104 G C 0.632 175.529 174.900 -0.006 0.000 1.277 104 G CA 0.820 45.955 45.100 0.058 0.000 0.959 104 G HN 0.461 nan 8.290 nan 0.000 0.554 105 S N -0.929 114.741 115.700 -0.048 0.000 2.593 105 S HA 0.261 4.730 4.470 -0.001 0.000 0.217 105 S C 2.057 176.618 174.600 -0.065 0.000 0.966 105 S CA 1.276 59.422 58.200 -0.088 0.000 0.914 105 S CB 0.199 63.330 63.200 -0.115 0.000 0.776 105 S HN 1.040 nan 8.310 nan 0.000 0.523 106 S N 1.142 116.818 115.700 -0.041 0.000 2.500 106 S HA 0.002 4.471 4.470 -0.001 0.000 0.239 106 S C 1.572 176.153 174.600 -0.032 0.000 0.989 106 S CA 0.836 59.016 58.200 -0.034 0.000 0.951 106 S CB -0.335 62.850 63.200 -0.025 0.000 0.759 106 S HN 0.480 nan 8.310 nan 0.000 0.523 107 V N 1.323 121.218 119.914 -0.032 0.000 3.041 107 V HA 0.117 4.236 4.120 -0.001 0.000 0.260 107 V C 0.707 176.771 176.094 -0.050 0.000 1.105 107 V CA 0.749 63.031 62.300 -0.030 0.000 1.125 107 V CB -0.359 31.454 31.823 -0.016 0.000 0.730 107 V HN 0.337 nan 8.190 nan 0.000 0.479 108 L N 0.164 121.348 121.223 -0.065 0.000 2.543 108 L HA 0.321 4.660 4.340 -0.001 0.000 0.231 108 L C 1.020 177.856 176.870 -0.057 0.000 1.194 108 L CA 0.329 55.125 54.840 -0.073 0.000 0.823 108 L CB 0.625 42.627 42.059 -0.095 0.000 1.374 108 L HN 0.310 nan 8.230 nan 0.000 0.507 109 S N -1.575 114.091 115.700 -0.057 0.000 2.655 109 S HA 0.081 4.550 4.470 -0.001 0.000 0.265 109 S C 0.749 175.323 174.600 -0.044 0.000 1.240 109 S CA -0.451 57.721 58.200 -0.045 0.000 0.986 109 S CB 1.249 64.422 63.200 -0.044 0.000 0.985 109 S HN 0.701 nan 8.310 nan 0.000 0.562 110 E N 0.286 120.465 120.200 -0.035 0.000 2.077 110 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 110 E C 0.842 177.421 176.600 -0.035 0.000 0.989 110 E CA 1.517 57.898 56.400 -0.031 0.000 0.800 110 E CB -0.237 29.449 29.700 -0.023 0.000 0.746 110 E HN 0.714 nan 8.360 nan 0.000 0.452 111 D N 0.408 120.786 120.400 -0.036 0.000 2.178 111 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 111 D C 1.729 178.001 176.300 -0.046 0.000 0.974 111 D CA 1.020 54.997 54.000 -0.037 0.000 0.841 111 D CB -0.003 40.776 40.800 -0.036 0.000 0.953 111 D HN 0.204 nan 8.370 nan 0.000 0.478 112 K N 0.400 120.766 120.400 -0.056 0.000 2.005 112 K HA 0.046 4.365 4.320 -0.001 0.000 0.206 112 K C 2.153 178.708 176.600 -0.075 0.000 1.044 112 K CA 0.854 57.098 56.287 -0.071 0.000 0.942 112 K CB -0.078 32.372 32.500 -0.084 0.000 0.727 112 K HN -0.110 nan 8.250 nan 0.000 0.439 113 S N 1.213 116.870 115.700 -0.071 0.000 2.493 113 S HA -0.105 4.365 4.470 -0.001 0.000 0.243 113 S C 1.618 176.185 174.600 -0.055 0.000 0.991 113 S CA 1.056 59.214 58.200 -0.070 0.000 0.957 113 S CB -0.041 63.123 63.200 -0.060 0.000 0.756 113 S HN 0.175 nan 8.310 nan 0.000 0.521 114 K N 1.244 121.616 120.400 -0.047 0.000 2.190 114 K HA 0.207 4.527 4.320 -0.001 0.000 0.202 114 K C 2.215 178.792 176.600 -0.038 0.000 1.045 114 K CA 0.353 56.618 56.287 -0.036 0.000 0.976 114 K CB -0.159 32.324 32.500 -0.029 0.000 0.849 114 K HN 0.103 nan 8.250 nan 0.000 0.468 115 R N 1.667 122.141 120.500 -0.044 0.000 2.097 115 R HA -0.141 4.199 4.340 -0.001 0.000 0.236 115 R C 2.303 178.575 176.300 -0.047 0.000 1.135 115 R CA 1.631 57.705 56.100 -0.043 0.000 0.934 115 R CB -1.151 29.119 30.300 -0.050 0.000 0.846 115 R HN 0.171 nan 8.270 nan 0.000 0.431 116 L N 1.069 122.252 121.223 -0.068 0.000 1.978 116 L HA -0.248 4.092 4.340 -0.001 0.000 0.218 116 L C 1.600 178.441 176.870 -0.048 0.000 1.075 116 L CA 2.327 57.120 54.840 -0.079 0.000 0.767 116 L CB -1.129 40.852 42.059 -0.130 0.000 0.890 116 L HN 0.288 nan 8.230 nan 0.000 0.434 117 N N -1.232 117.441 118.700 -0.046 0.000 2.137 117 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 117 N C 1.649 177.148 175.510 -0.018 0.000 1.017 117 N CA 1.817 54.850 53.050 -0.029 0.000 0.859 117 N CB -0.508 37.963 38.487 -0.027 0.000 1.002 117 N HN 0.503 nan 8.380 nan 0.000 0.428 118 T N 1.385 115.928 114.554 -0.020 0.000 2.708 118 T HA -0.039 4.311 4.350 -0.001 0.000 0.266 118 T C 1.849 176.544 174.700 -0.009 0.000 1.037 118 T CA 0.720 62.812 62.100 -0.014 0.000 1.146 118 T CB -0.131 68.727 68.868 -0.017 0.000 0.865 118 T HN 0.109 nan 8.240 nan 0.000 0.435 119 I N 1.566 122.133 120.570 -0.006 0.000 2.052 119 I HA -0.155 4.014 4.170 -0.001 0.000 0.235 119 I C 2.501 178.622 176.117 0.008 0.000 1.046 119 I CA 1.580 62.885 61.300 0.009 0.000 1.308 119 I CB -1.539 36.483 38.000 0.036 0.000 1.031 119 I HN 0.240 nan 8.210 nan 0.000 0.395 120 L N 0.484 121.718 121.223 0.017 0.000 2.137 120 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 120 L C 2.398 179.255 176.870 -0.022 0.000 1.085 120 L CA 1.362 56.203 54.840 0.001 0.000 0.760 120 L CB -0.689 41.376 42.059 0.010 0.000 0.893 120 L HN 0.413 nan 8.230 nan 0.000 0.434 121 N N -1.095 117.599 118.700 -0.010 0.000 2.278 121 N HA -0.083 4.656 4.740 -0.001 0.000 0.181 121 N C 1.776 177.287 175.510 0.002 0.000 1.023 121 N CA 1.692 54.739 53.050 -0.004 0.000 0.862 121 N CB 0.019 38.505 38.487 -0.000 0.000 1.003 121 N HN 0.292 nan 8.380 nan 0.000 0.431 122 T N 2.249 116.803 114.554 -0.001 0.000 2.635 122 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 122 T C 2.150 176.850 174.700 0.000 0.000 1.040 122 T CA 1.221 63.321 62.100 0.001 0.000 1.156 122 T CB -0.199 68.666 68.868 -0.005 0.000 0.863 122 T HN 0.185 nan 8.240 nan 0.000 0.430 123 M N 1.087 120.680 119.600 -0.012 0.000 2.065 123 M HA -0.151 4.328 4.480 -0.001 0.000 0.259 123 M C 2.809 179.103 176.300 -0.010 0.000 1.071 123 M CA 1.646 56.934 55.300 -0.021 0.000 1.109 123 M CB -0.711 31.854 32.600 -0.058 0.000 1.313 123 M HN 0.270 nan 8.290 nan 0.000 0.408 124 S N -0.272 115.399 115.700 -0.048 0.000 2.380 124 S HA -0.185 4.284 4.470 -0.001 0.000 0.229 124 S C 1.672 176.309 174.600 0.062 0.000 1.043 124 S CA 2.108 60.275 58.200 -0.054 0.000 1.038 124 S CB -0.367 62.798 63.200 -0.058 0.000 0.872 124 S HN 0.527 nan 8.310 nan 0.000 0.456 125 T N 2.609 117.200 114.554 0.062 0.000 2.571 125 T HA 0.005 4.355 4.350 -0.001 0.000 0.255 125 T C 1.728 176.489 174.700 0.102 0.000 1.100 125 T CA 1.485 63.639 62.100 0.088 0.000 1.199 125 T CB -0.774 68.130 68.868 0.059 0.000 0.870 125 T HN 0.440 nan 8.240 nan 0.000 0.399 126 I N 0.379 120.982 120.570 0.054 0.000 2.267 126 I HA -0.389 3.780 4.170 -0.001 0.000 0.239 126 I C 2.220 178.364 176.117 0.045 0.000 0.984 126 I CA 2.349 63.659 61.300 0.017 0.000 1.272 126 I CB -0.668 37.315 38.000 -0.027 0.000 0.976 126 I HN 0.241 nan 8.210 nan 0.000 0.407 127 Y N 1.886 122.182 120.300 -0.006 0.000 2.053 127 Y HA -0.366 4.183 4.550 -0.001 0.000 0.277 127 Y C 2.926 178.977 175.900 0.251 0.000 1.159 127 Y CA 2.328 60.488 58.100 0.100 0.000 1.125 127 Y CB -0.482 38.031 38.460 0.089 0.000 0.969 127 Y HN 0.364 nan 8.280 nan 0.000 0.492 128 S N -1.993 113.972 115.700 0.441 0.000 2.428 128 S HA -0.124 4.346 4.470 -0.001 0.000 0.230 128 S C 1.656 176.392 174.600 0.227 0.000 1.014 128 S CA 1.182 59.613 58.200 0.385 0.000 0.957 128 S CB -1.046 62.370 63.200 0.360 0.000 0.784 128 S HN 0.622 nan 8.310 nan 0.000 0.499 129 T N -1.266 113.386 114.554 0.162 0.000 3.086 129 T HA 0.385 4.734 4.350 -0.001 0.000 0.250 129 T C 0.998 175.746 174.700 0.080 0.000 1.074 129 T CA 0.055 62.220 62.100 0.109 0.000 0.988 129 T CB -0.296 68.621 68.868 0.081 0.000 0.988 129 T HN 0.420 nan 8.240 nan 0.000 0.530 130 G N 2.263 111.107 108.800 0.073 0.000 2.414 130 G HA2 0.405 4.365 3.960 -0.001 0.000 0.236 130 G HA3 0.405 4.365 3.960 -0.001 0.000 0.236 130 G C -0.500 174.484 174.900 0.139 0.000 1.293 130 G CA -0.618 44.495 45.100 0.022 0.000 0.869 130 G HN 0.730 nan 8.290 nan 0.000 0.556 131 K N 0.541 120.986 120.400 0.076 0.000 2.565 131 K HA 0.516 4.835 4.320 -0.001 0.000 0.251 131 K C -0.886 175.750 176.600 0.059 0.000 0.956 131 K CA -1.017 55.326 56.287 0.094 0.000 0.809 131 K CB 1.891 34.435 32.500 0.073 0.000 1.267 131 K HN 0.547 nan 8.250 nan 0.000 0.438 132 V N -0.703 119.250 119.914 0.065 0.000 2.532 132 V HA 0.697 4.817 4.120 -0.001 0.000 0.295 132 V C -0.399 175.781 176.094 0.143 0.000 1.041 132 V CA -0.379 61.944 62.300 0.038 0.000 0.926 132 V CB 1.036 32.786 31.823 -0.122 0.000 0.992 132 V HN 0.957 nan 8.190 nan 0.000 0.457 133 c N 3.986 122.707 118.600 0.202 0.000 2.561 133 c HA 0.467 5.036 4.570 -0.001 0.000 0.319 133 c C 0.378 174.690 174.090 0.371 0.000 1.198 133 c CA -0.748 55.731 56.329 0.250 0.000 1.665 133 c CB 1.054 43.648 42.510 0.139 0.000 2.258 133 c HN 1.011 nan 8.230 nan 0.000 0.493 134 N N 2.264 121.135 118.700 0.284 0.000 2.414 134 N HA 0.003 4.742 4.740 -0.001 0.000 0.268 134 N C -1.520 174.030 175.510 0.068 0.000 1.286 134 N CA -0.436 52.663 53.050 0.083 0.000 0.896 134 N CB 1.088 39.518 38.487 -0.096 0.000 1.093 134 N HN 0.398 nan 8.380 nan 0.000 0.480 135 P HA -0.179 nan 4.420 nan 0.000 0.215 135 P C -0.115 177.188 177.300 0.005 0.000 1.163 135 P CA 1.602 64.745 63.100 0.072 0.000 0.894 135 P CB 0.021 31.771 31.700 0.084 0.000 0.791 136 D N -2.118 118.249 120.400 -0.055 0.000 2.881 136 D HA 0.071 4.710 4.640 -0.001 0.000 0.240 136 D C 0.068 176.336 176.300 -0.054 0.000 1.249 136 D CA -0.352 53.617 54.000 -0.051 0.000 0.839 136 D CB -1.154 39.608 40.800 -0.063 0.000 1.042 136 D HN 0.025 nan 8.370 nan 0.000 0.475 137 N N 0.628 119.308 118.700 -0.032 0.000 3.866 137 N HA 0.011 4.750 4.740 -0.001 0.000 0.151 137 N C -2.660 172.857 175.510 0.013 0.000 1.455 137 N CA -0.632 52.407 53.050 -0.018 0.000 1.007 137 N CB 0.947 39.410 38.487 -0.040 0.000 1.739 137 N HN -0.104 nan 8.380 nan 0.000 0.709 138 P HA -0.006 nan 4.420 nan 0.000 0.259 138 P C 0.905 178.226 177.300 0.036 0.000 1.307 138 P CA 0.608 63.732 63.100 0.039 0.000 0.768 138 P CB 0.253 31.972 31.700 0.031 0.000 1.199 139 Q N 0.077 119.895 119.800 0.030 0.000 2.178 139 Q HA 0.010 4.350 4.340 -0.001 0.000 0.195 139 Q C 0.638 176.661 176.000 0.040 0.000 0.960 139 Q CA 0.507 56.327 55.803 0.029 0.000 0.843 139 Q CB 0.171 28.920 28.738 0.019 0.000 0.927 139 Q HN 0.201 nan 8.270 nan 0.000 0.487 140 E N 0.283 120.510 120.200 0.044 0.000 2.283 140 E HA 0.259 4.608 4.350 -0.001 0.000 0.278 140 E C -1.391 175.267 176.600 0.096 0.000 1.027 140 E CA -0.390 56.046 56.400 0.060 0.000 0.843 140 E CB 1.007 30.737 29.700 0.050 0.000 1.062 140 E HN 0.328 nan 8.360 nan 0.000 0.401 141 c N 3.781 122.441 118.600 0.101 0.000 2.889 141 c HA 0.636 5.205 4.570 -0.001 0.000 0.307 141 c C -0.688 173.473 174.090 0.117 0.000 1.251 141 c CA -0.845 55.560 56.329 0.126 0.000 1.593 141 c CB 0.715 43.282 42.510 0.094 0.000 2.104 141 c HN 0.665 nan 8.230 nan 0.000 0.476 142 L N 1.526 122.823 121.223 0.123 0.000 2.370 142 L HA 0.736 5.075 4.340 -0.001 0.000 0.266 142 L C -1.122 175.780 176.870 0.053 0.000 1.002 142 L CA -0.553 54.338 54.840 0.085 0.000 0.818 142 L CB 1.160 43.279 42.059 0.100 0.000 1.325 142 L HN 0.384 nan 8.230 nan 0.000 0.418 143 L N 1.691 122.932 121.223 0.030 0.000 2.331 143 L HA 0.343 4.682 4.340 -0.001 0.000 0.275 143 L C 0.892 177.717 176.870 -0.075 0.000 1.022 143 L CA -0.440 54.417 54.840 0.028 0.000 0.812 143 L CB 1.163 43.250 42.059 0.046 0.000 1.257 143 L HN 0.476 nan 8.230 nan 0.000 0.435 144 L N 1.163 122.267 121.223 -0.198 0.000 2.040 144 L HA -0.209 4.130 4.340 -0.001 0.000 0.228 144 L C 0.883 177.592 176.870 -0.269 0.000 1.092 144 L CA 2.004 56.532 54.840 -0.519 0.000 0.805 144 L CB -0.284 41.248 42.059 -0.879 0.000 0.905 144 L HN 0.841 nan 8.230 nan 0.000 0.443 145 E N -0.634 119.490 120.200 -0.127 0.000 2.151 145 E HA 0.329 4.678 4.350 -0.001 0.000 0.275 145 E C -2.119 174.463 176.600 -0.030 0.000 0.936 145 E CA -2.401 53.961 56.400 -0.063 0.000 0.777 145 E CB 1.327 31.005 29.700 -0.037 0.000 1.108 145 E HN 0.176 nan 8.360 nan 0.000 0.401 146 P HA 0.244 nan 4.420 nan 0.000 0.268 146 P C 0.773 178.057 177.300 -0.026 0.000 1.329 146 P CA 0.004 63.091 63.100 -0.022 0.000 0.899 146 P CB 0.899 32.598 31.700 -0.002 0.000 1.378 147 G N 1.310 110.092 108.800 -0.031 0.000 2.616 147 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.215 147 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.215 147 G C 1.248 176.123 174.900 -0.041 0.000 1.284 147 G CA 0.473 45.566 45.100 -0.012 0.000 0.823 147 G HN 0.047 nan 8.290 nan 0.000 0.569 148 L N 1.257 122.405 121.223 -0.126 0.000 1.989 148 L HA -0.115 4.225 4.340 -0.001 0.000 0.211 148 L C 2.515 179.271 176.870 -0.190 0.000 1.071 148 L CA 1.731 56.448 54.840 -0.205 0.000 0.749 148 L CB -1.828 39.988 42.059 -0.406 0.000 0.890 148 L HN 0.368 nan 8.230 nan 0.000 0.431 149 N N -0.681 117.891 118.700 -0.213 0.000 2.069 149 N HA -0.258 4.481 4.740 -0.001 0.000 0.196 149 N C 1.792 177.265 175.510 -0.062 0.000 1.024 149 N CA 1.379 54.342 53.050 -0.145 0.000 0.869 149 N CB -0.041 38.392 38.487 -0.090 0.000 1.035 149 N HN 0.355 nan 8.380 nan 0.000 0.434 150 E N 1.028 121.208 120.200 -0.033 0.000 2.085 150 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 150 E C 2.063 178.671 176.600 0.013 0.000 0.994 150 E CA 0.855 57.256 56.400 0.002 0.000 0.801 150 E CB -0.107 29.602 29.700 0.014 0.000 0.743 150 E HN 0.427 nan 8.360 nan 0.000 0.453 151 I N 0.567 121.145 120.570 0.013 0.000 2.127 151 I HA -0.315 3.855 4.170 -0.001 0.000 0.241 151 I C 2.425 178.556 176.117 0.023 0.000 1.075 151 I CA 0.951 62.276 61.300 0.042 0.000 1.334 151 I CB -0.312 37.737 38.000 0.082 0.000 1.040 151 I HN 0.154 nan 8.210 nan 0.000 0.405 152 M N 0.211 119.799 119.600 -0.021 0.000 2.279 152 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 152 M C 2.202 178.508 176.300 0.011 0.000 1.062 152 M CA 1.435 56.721 55.300 -0.024 0.000 1.099 152 M CB -1.358 31.182 32.600 -0.099 0.000 1.394 152 M HN 0.294 nan 8.290 nan 0.000 0.426 153 A N -1.163 121.668 122.820 0.019 0.000 2.267 153 A HA 0.095 4.414 4.320 -0.001 0.000 0.213 153 A C 1.629 179.241 177.584 0.046 0.000 1.192 153 A CA 0.844 52.906 52.037 0.042 0.000 0.851 153 A CB -0.200 18.826 19.000 0.044 0.000 0.881 153 A HN 0.492 nan 8.150 nan 0.000 0.494 154 N N -1.764 116.962 118.700 0.044 0.000 2.297 154 N HA 0.061 4.800 4.740 -0.001 0.000 0.247 154 N C 0.446 175.988 175.510 0.053 0.000 1.138 154 N CA 0.570 53.647 53.050 0.045 0.000 0.813 154 N CB 0.453 38.964 38.487 0.039 0.000 1.496 154 N HN 0.161 nan 8.380 nan 0.000 0.480 155 S N 1.492 117.230 115.700 0.063 0.000 2.575 155 S HA -0.002 4.467 4.470 -0.001 0.000 0.295 155 S C 0.800 175.469 174.600 0.115 0.000 1.267 155 S CA -0.080 58.168 58.200 0.080 0.000 1.074 155 S CB 0.106 63.358 63.200 0.086 0.000 0.829 155 S HN 0.141 nan 8.310 nan 0.000 0.497 156 L N 3.743 125.029 121.223 0.106 0.000 2.611 156 L HA 0.322 4.661 4.340 -0.001 0.000 0.229 156 L C 0.944 177.970 176.870 0.260 0.000 1.137 156 L CA 0.677 55.596 54.840 0.131 0.000 0.901 156 L CB -0.924 41.135 42.059 -0.000 0.000 1.098 156 L HN 0.738 nan 8.230 nan 0.000 0.456 157 D N -1.146 119.374 120.400 0.201 0.000 2.313 157 D HA -0.068 4.571 4.640 -0.001 0.000 0.239 157 D C 0.877 177.268 176.300 0.151 0.000 1.142 157 D CA -0.275 53.834 54.000 0.181 0.000 0.847 157 D CB 1.419 42.286 40.800 0.111 0.000 1.082 157 D HN 0.113 nan 8.370 nan 0.000 0.480 158 Y N 5.223 125.514 120.300 -0.015 0.000 2.151 158 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 158 Y C 1.767 177.591 175.900 -0.126 0.000 1.166 158 Y CA 1.783 59.717 58.100 -0.276 0.000 1.163 158 Y CB 0.181 38.197 38.460 -0.740 0.000 0.974 158 Y HN 0.480 nan 8.280 nan 0.000 0.511 159 N N -0.102 118.649 118.700 0.085 0.000 2.290 159 N HA -0.150 4.589 4.740 -0.001 0.000 0.179 159 N C 1.840 177.385 175.510 0.058 0.000 1.016 159 N CA 1.185 54.272 53.050 0.063 0.000 0.871 159 N CB -0.300 38.263 38.487 0.127 0.000 0.987 159 N HN 0.567 nan 8.380 nan 0.000 0.431 160 E N 1.760 122.008 120.200 0.081 0.000 2.085 160 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 160 E C 1.782 178.508 176.600 0.209 0.000 0.994 160 E CA 1.026 57.519 56.400 0.156 0.000 0.801 160 E CB 0.163 29.931 29.700 0.113 0.000 0.743 160 E HN 0.280 nan 8.360 nan 0.000 0.453 161 R N -0.036 120.506 120.500 0.072 0.000 2.115 161 R HA -0.080 4.259 4.340 -0.001 0.000 0.226 161 R C 2.555 178.855 176.300 0.001 0.000 1.100 161 R CA 0.915 57.041 56.100 0.043 0.000 0.980 161 R CB -0.360 29.919 30.300 -0.036 0.000 0.875 161 R HN 0.214 nan 8.270 nan 0.000 0.445 162 L N 0.349 121.456 121.223 -0.193 0.000 2.017 162 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 162 L C 2.037 178.903 176.870 -0.007 0.000 1.073 162 L CA 1.607 56.202 54.840 -0.409 0.000 0.745 162 L CB -0.576 41.174 42.059 -0.515 0.000 0.894 162 L HN 0.206 nan 8.230 nan 0.000 0.432 163 W N 0.726 121.983 121.300 -0.071 0.000 2.194 163 W HA -0.321 4.338 4.660 -0.001 0.000 0.323 163 W C 2.496 179.055 176.519 0.066 0.000 1.222 163 W CA 3.040 60.390 57.345 0.009 0.000 1.136 163 W CB -1.277 28.186 29.460 0.006 0.000 1.162 163 W HN 0.301 nan 8.180 nan 0.000 0.466 164 A N 0.208 122.887 122.820 -0.234 0.000 1.893 164 A HA -0.382 3.937 4.320 -0.001 0.000 0.222 164 A C 1.901 179.358 177.584 -0.212 0.000 1.309 164 A CA 2.764 54.512 52.037 -0.482 0.000 0.681 164 A CB -2.111 16.774 19.000 -0.193 0.000 0.842 164 A HN 0.799 nan 8.150 nan 0.000 0.468 165 W N 0.409 121.582 121.300 -0.210 0.000 2.304 165 W HA -0.280 4.379 4.660 -0.001 0.000 0.315 165 W C 2.217 178.711 176.519 -0.041 0.000 1.233 165 W CA 2.635 59.907 57.345 -0.121 0.000 1.261 165 W CB -0.056 29.354 29.460 -0.084 0.000 1.150 165 W HN 0.501 nan 8.180 nan 0.000 0.494 166 E N -0.174 120.211 120.200 0.308 0.000 2.112 166 E HA -0.109 4.241 4.350 -0.001 0.000 0.190 166 E C 2.107 178.729 176.600 0.036 0.000 0.979 166 E CA 2.020 58.572 56.400 0.253 0.000 0.814 166 E CB -0.515 29.357 29.700 0.287 0.000 0.762 166 E HN 0.208 nan 8.360 nan 0.000 0.460 167 S N 0.706 116.329 115.700 -0.128 0.000 2.345 167 S HA -0.137 4.332 4.470 -0.001 0.000 0.220 167 S C 1.701 176.220 174.600 -0.135 0.000 1.031 167 S CA 0.936 59.024 58.200 -0.187 0.000 0.996 167 S CB -0.990 61.919 63.200 -0.484 0.000 0.882 167 S HN 0.526 nan 8.310 nan 0.000 0.445 168 W N 2.925 124.017 121.300 -0.347 0.000 2.302 168 W HA -0.218 4.441 4.660 -0.001 0.000 0.320 168 W C 2.134 178.500 176.519 -0.256 0.000 1.241 168 W CA 1.680 58.836 57.345 -0.315 0.000 1.264 168 W CB -0.310 28.921 29.460 -0.383 0.000 1.154 168 W HN 0.255 nan 8.180 nan 0.000 0.483 169 R N -0.206 120.159 120.500 -0.225 0.000 2.189 169 R HA -0.090 4.249 4.340 -0.001 0.000 0.218 169 R C 2.635 178.845 176.300 -0.149 0.000 1.074 169 R CA 1.336 57.278 56.100 -0.263 0.000 0.991 169 R CB -0.397 29.741 30.300 -0.269 0.000 0.883 169 R HN -0.005 nan 8.270 nan 0.000 0.457 170 S N -0.013 115.628 115.700 -0.099 0.000 2.388 170 S HA -0.043 4.427 4.470 -0.001 0.000 0.223 170 S C 1.347 175.810 174.600 -0.230 0.000 1.034 170 S CA 0.780 58.919 58.200 -0.102 0.000 0.963 170 S CB 0.206 63.401 63.200 -0.007 0.000 0.827 170 S HN 0.208 nan 8.310 nan 0.000 0.481 171 E N 1.125 121.182 120.200 -0.240 0.000 2.025 171 E HA -0.019 4.330 4.350 -0.001 0.000 0.198 171 E C 2.328 178.721 176.600 -0.345 0.000 0.955 171 E CA 1.293 57.541 56.400 -0.253 0.000 0.862 171 E CB -1.489 28.084 29.700 -0.210 0.000 0.837 171 E HN 0.429 nan 8.360 nan 0.000 0.488 172 V N -0.066 119.537 119.914 -0.517 0.000 2.982 172 V HA -0.041 4.078 4.120 -0.001 0.000 0.265 172 V C 1.715 177.493 176.094 -0.526 0.000 1.122 172 V CA 2.255 64.184 62.300 -0.618 0.000 1.143 172 V CB -1.041 30.124 31.823 -1.096 0.000 0.726 172 V HN 0.264 nan 8.190 nan 0.000 0.507 173 G N -0.059 108.454 108.800 -0.479 0.000 2.447 173 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.211 173 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.211 173 G C 1.533 176.278 174.900 -0.260 0.000 1.184 173 G CA 0.438 45.332 45.100 -0.343 0.000 0.813 173 G HN 0.491 nan 8.290 nan 0.000 0.540 174 K N 0.180 120.403 120.400 -0.296 0.000 2.211 174 K HA -0.054 4.265 4.320 -0.001 0.000 0.204 174 K C 2.619 179.094 176.600 -0.208 0.000 1.047 174 K CA 0.942 57.049 56.287 -0.299 0.000 0.935 174 K CB -0.044 32.230 32.500 -0.377 0.000 0.728 174 K HN 0.345 nan 8.250 nan 0.000 0.452 175 Q N 0.417 120.098 119.800 -0.199 0.000 2.020 175 Q HA -0.065 4.275 4.340 -0.001 0.000 0.198 175 Q C 2.041 177.979 176.000 -0.103 0.000 0.974 175 Q CA 1.080 56.794 55.803 -0.148 0.000 0.829 175 Q CB -0.027 28.616 28.738 -0.158 0.000 0.894 175 Q HN 0.304 nan 8.270 nan 0.000 0.433 176 L N 0.754 121.912 121.223 -0.108 0.000 2.450 176 L HA -0.158 4.181 4.340 -0.001 0.000 0.224 176 L C 2.380 179.265 176.870 0.024 0.000 1.149 176 L CA 0.371 55.186 54.840 -0.043 0.000 0.816 176 L CB -0.342 41.678 42.059 -0.065 0.000 0.932 176 L HN 0.117 nan 8.230 nan 0.000 0.449 177 R N 1.013 121.502 120.500 -0.017 0.000 2.082 177 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 177 R C -0.573 175.758 176.300 0.052 0.000 1.136 177 R CA 1.914 58.033 56.100 0.032 0.000 0.935 177 R CB -1.556 28.718 30.300 -0.043 0.000 0.842 177 R HN 0.161 nan 8.270 nan 0.000 0.430 178 P HA -0.108 nan 4.420 nan 0.000 0.211 178 P C 1.266 178.584 177.300 0.029 0.000 1.179 178 P CA 1.244 64.330 63.100 -0.024 0.000 0.910 178 P CB -0.161 31.515 31.700 -0.041 0.000 0.785 179 L N -2.160 119.087 121.223 0.040 0.000 2.064 179 L HA -0.244 4.095 4.340 -0.001 0.000 0.216 179 L C 2.604 179.559 176.870 0.141 0.000 1.077 179 L CA 1.967 56.845 54.840 0.063 0.000 0.766 179 L CB -2.014 40.072 42.059 0.044 0.000 0.890 179 L HN -0.043 nan 8.230 nan 0.000 0.435 180 Y N 0.435 120.790 120.300 0.091 0.000 2.224 180 Y HA -0.226 4.324 4.550 -0.001 0.000 0.289 180 Y C 2.537 178.661 175.900 0.373 0.000 1.146 180 Y CA 1.687 59.917 58.100 0.217 0.000 1.182 180 Y CB -0.112 38.491 38.460 0.239 0.000 0.983 180 Y HN 0.312 nan 8.280 nan 0.000 0.524 181 E N -0.363 120.014 120.200 0.296 0.000 2.077 181 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 181 E C 2.049 178.680 176.600 0.052 0.000 0.989 181 E CA 1.446 57.895 56.400 0.081 0.000 0.800 181 E CB -0.218 29.354 29.700 -0.214 0.000 0.746 181 E HN 0.598 nan 8.360 nan 0.000 0.452 182 E N 0.296 120.513 120.200 0.029 0.000 2.107 182 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 182 E C 1.973 178.556 176.600 -0.030 0.000 0.982 182 E CA 0.485 56.878 56.400 -0.012 0.000 0.809 182 E CB -0.105 29.585 29.700 -0.017 0.000 0.756 182 E HN 0.296 nan 8.360 nan 0.000 0.459 183 Y N 0.646 120.857 120.300 -0.149 0.000 2.165 183 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 183 Y C 1.913 177.647 175.900 -0.278 0.000 1.155 183 Y CA 1.588 59.538 58.100 -0.251 0.000 1.164 183 Y CB -0.329 37.920 38.460 -0.351 0.000 0.978 183 Y HN -0.115 nan 8.280 nan 0.000 0.513 184 V N -0.380 119.440 119.914 -0.157 0.000 2.295 184 V HA -0.327 3.792 4.120 -0.001 0.000 0.246 184 V C 2.345 178.348 176.094 -0.152 0.000 1.049 184 V CA 1.711 63.947 62.300 -0.107 0.000 1.024 184 V CB -0.875 31.054 31.823 0.177 0.000 0.648 184 V HN 0.408 nan 8.190 nan 0.000 0.447 185 V N 0.160 120.007 119.914 -0.112 0.000 2.216 185 V HA -0.287 3.833 4.120 -0.001 0.000 0.242 185 V C 2.301 178.274 176.094 -0.202 0.000 1.042 185 V CA 2.381 64.610 62.300 -0.118 0.000 0.991 185 V CB -0.854 30.917 31.823 -0.087 0.000 0.633 185 V HN 0.436 nan 8.190 nan 0.000 0.449 186 L N -0.475 120.612 121.223 -0.226 0.000 2.081 186 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 186 L C 2.535 179.178 176.870 -0.378 0.000 1.080 186 L CA 1.801 56.489 54.840 -0.254 0.000 0.754 186 L CB -0.685 41.241 42.059 -0.222 0.000 0.893 186 L HN 0.266 nan 8.230 nan 0.000 0.433 187 K N -0.104 119.953 120.400 -0.572 0.000 2.103 187 K HA -0.074 4.245 4.320 -0.001 0.000 0.204 187 K C 2.012 178.207 176.600 -0.676 0.000 1.052 187 K CA 0.756 56.522 56.287 -0.869 0.000 0.945 187 K CB -0.053 31.551 32.500 -1.494 0.000 0.722 187 K HN 0.183 nan 8.250 nan 0.000 0.443 188 N N 0.911 119.352 118.700 -0.433 0.000 2.058 188 N HA -0.169 4.570 4.740 -0.001 0.000 0.191 188 N C 1.492 176.881 175.510 -0.203 0.000 1.037 188 N CA 1.362 54.263 53.050 -0.249 0.000 0.848 188 N CB -0.135 38.282 38.487 -0.117 0.000 1.021 188 N HN 0.300 nan 8.380 nan 0.000 0.422 189 E N 0.628 120.712 120.200 -0.192 0.000 2.035 189 E HA -0.251 4.098 4.350 -0.001 0.000 0.204 189 E C 1.968 178.467 176.600 -0.169 0.000 1.025 189 E CA 1.214 57.520 56.400 -0.157 0.000 0.835 189 E CB -0.206 29.406 29.700 -0.146 0.000 0.764 189 E HN 0.222 nan 8.360 nan 0.000 0.457 190 M N 0.861 120.322 119.600 -0.232 0.000 2.147 190 M HA -0.292 4.188 4.480 -0.001 0.000 0.253 190 M C 2.199 178.389 176.300 -0.183 0.000 1.075 190 M CA 2.385 57.541 55.300 -0.239 0.000 1.085 190 M CB -0.699 31.678 32.600 -0.371 0.000 1.305 190 M HN 0.166 nan 8.290 nan 0.000 0.409 191 A N 0.164 122.856 122.820 -0.214 0.000 1.855 191 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 191 A C 2.139 179.784 177.584 0.101 0.000 1.191 191 A CA 1.774 53.784 52.037 -0.045 0.000 0.613 191 A CB -0.626 18.317 19.000 -0.095 0.000 0.829 191 A HN 0.643 nan 8.150 nan 0.000 0.442 192 R N -0.354 120.143 120.500 -0.005 0.000 2.080 192 R HA -0.128 4.212 4.340 -0.001 0.000 0.236 192 R C 2.404 178.647 176.300 -0.096 0.000 1.137 192 R CA 1.374 57.460 56.100 -0.024 0.000 0.943 192 R CB -0.617 29.648 30.300 -0.059 0.000 0.846 192 R HN 0.491 nan 8.270 nan 0.000 0.431 193 A N 1.188 123.942 122.820 -0.109 0.000 2.084 193 A HA -0.181 4.139 4.320 -0.001 0.000 0.221 193 A C 1.296 178.794 177.584 -0.143 0.000 1.161 193 A CA 1.533 53.478 52.037 -0.153 0.000 0.653 193 A CB -0.604 18.336 19.000 -0.101 0.000 0.802 193 A HN 0.458 nan 8.150 nan 0.000 0.457 194 N N -1.380 117.325 118.700 0.007 0.000 2.313 194 N HA 0.191 4.930 4.740 -0.001 0.000 0.207 194 N C -0.776 174.802 175.510 0.113 0.000 1.141 194 N CA -0.006 53.144 53.050 0.166 0.000 0.830 194 N CB 0.072 38.770 38.487 0.352 0.000 1.008 194 N HN 0.599 nan 8.380 nan 0.000 0.481 195 H N -1.750 117.267 119.070 -0.087 0.000 2.933 195 H HA -0.178 4.377 4.556 -0.001 0.000 0.301 195 H C -1.260 173.878 175.328 -0.318 0.000 1.280 195 H CA 0.619 56.556 56.048 -0.186 0.000 1.155 195 H CB -2.259 27.373 29.762 -0.217 0.000 1.379 195 H HN 0.311 nan 8.280 nan 0.000 0.419 196 Y N -0.749 119.595 120.300 0.072 0.000 2.598 196 Y HA 0.318 4.868 4.550 -0.001 0.000 0.340 196 Y C 1.684 177.590 175.900 0.009 0.000 1.038 196 Y CA -0.971 57.163 58.100 0.058 0.000 1.100 196 Y CB 1.167 39.689 38.460 0.103 0.000 1.281 196 Y HN 0.124 nan 8.280 nan 0.000 0.488 197 E N 0.547 120.864 120.200 0.195 0.000 2.028 197 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 197 E C -0.547 176.087 176.600 0.055 0.000 0.984 197 E CA 1.366 57.816 56.400 0.084 0.000 0.800 197 E CB 0.205 29.938 29.700 0.055 0.000 0.758 197 E HN 0.691 nan 8.360 nan 0.000 0.448 198 D N -2.002 118.422 120.400 0.040 0.000 2.752 198 D HA -0.024 4.616 4.640 -0.001 0.000 0.313 198 D C 0.258 176.476 176.300 -0.137 0.000 1.225 198 D CA -0.649 53.334 54.000 -0.028 0.000 0.976 198 D CB 0.253 41.064 40.800 0.019 0.000 1.443 198 D HN -0.144 nan 8.370 nan 0.000 0.515 199 Y N 0.958 120.930 120.300 -0.546 0.000 2.274 199 Y HA 0.017 4.566 4.550 -0.001 0.000 0.290 199 Y C 2.262 177.643 175.900 -0.865 0.000 1.145 199 Y CA 2.141 59.695 58.100 -0.910 0.000 1.203 199 Y CB -0.658 36.941 38.460 -1.434 0.000 0.984 199 Y HN 0.605 nan 8.280 nan 0.000 0.533 200 G N -0.288 108.090 108.800 -0.703 0.000 2.459 200 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.217 200 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.217 200 G C 1.453 176.230 174.900 -0.205 0.000 1.183 200 G CA 1.197 46.172 45.100 -0.209 0.000 0.776 200 G HN 0.425 nan 8.290 nan 0.000 0.552 201 D N -0.906 119.383 120.400 -0.184 0.000 2.123 201 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 201 D C 1.994 178.147 176.300 -0.245 0.000 0.992 201 D CA 0.884 54.812 54.000 -0.121 0.000 0.833 201 D CB -0.308 40.515 40.800 0.038 0.000 0.954 201 D HN 0.347 nan 8.370 nan 0.000 0.455 202 Y N -0.255 119.673 120.300 -0.620 0.000 2.053 202 Y HA -0.274 4.276 4.550 -0.001 0.000 0.277 202 Y C 2.041 177.686 175.900 -0.425 0.000 1.159 202 Y CA 2.112 59.655 58.100 -0.928 0.000 1.125 202 Y CB -0.457 37.555 38.460 -0.746 0.000 0.969 202 Y HN 0.098 nan 8.280 nan 0.000 0.492 203 W N 0.665 121.793 121.300 -0.286 0.000 2.358 203 W HA -0.130 4.529 4.660 -0.001 0.000 0.303 203 W C 2.440 178.938 176.519 -0.036 0.000 1.208 203 W CA 1.658 58.907 57.345 -0.160 0.000 1.274 203 W CB -1.002 28.412 29.460 -0.076 0.000 1.138 203 W HN 0.107 nan 8.180 nan 0.000 0.515 204 R N -0.206 120.419 120.500 0.208 0.000 2.328 204 R HA -0.035 4.304 4.340 -0.001 0.000 0.207 204 R C 2.333 178.748 176.300 0.192 0.000 1.056 204 R CA 0.778 57.005 56.100 0.211 0.000 1.016 204 R CB -0.800 29.485 30.300 -0.024 0.000 0.872 204 R HN 0.158 nan 8.270 nan 0.000 0.471 205 G N 1.135 109.956 108.800 0.034 0.000 2.418 205 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.217 205 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.217 205 G C 1.093 176.025 174.900 0.054 0.000 1.158 205 G CA 0.666 45.773 45.100 0.012 0.000 0.771 205 G HN 0.313 nan 8.290 nan 0.000 0.545 206 D N -0.046 120.339 120.400 -0.025 0.000 2.191 206 D HA -0.190 4.450 4.640 -0.001 0.000 0.195 206 D C 1.594 177.812 176.300 -0.137 0.000 1.003 206 D CA 0.945 54.853 54.000 -0.154 0.000 0.867 206 D CB -0.071 40.529 40.800 -0.334 0.000 0.926 206 D HN 0.477 nan 8.370 nan 0.000 0.450 207 Y N 0.655 121.021 120.300 0.109 0.000 2.490 207 Y HA 0.165 4.714 4.550 -0.001 0.000 0.281 207 Y C 1.089 177.313 175.900 0.540 0.000 1.174 207 Y CA -0.103 58.112 58.100 0.192 0.000 1.295 207 Y CB 0.102 38.574 38.460 0.020 0.000 1.062 207 Y HN -0.045 nan 8.280 nan 0.000 0.522 208 E N 0.679 121.159 120.200 0.468 0.000 2.390 208 E HA 0.359 4.708 4.350 -0.001 0.000 0.261 208 E C -1.181 175.596 176.600 0.296 0.000 1.076 208 E CA -0.116 56.522 56.400 0.397 0.000 0.905 208 E CB 0.811 30.665 29.700 0.258 0.000 0.984 208 E HN -0.138 nan 8.360 nan 0.000 0.427 209 V N 4.128 124.177 119.914 0.226 0.000 2.777 209 V HA 0.300 4.419 4.120 -0.001 0.000 0.306 209 V C -1.150 174.994 176.094 0.083 0.000 1.112 209 V CA -1.062 61.302 62.300 0.106 0.000 0.917 209 V CB 2.223 34.055 31.823 0.015 0.000 1.018 209 V HN 0.680 nan 8.190 nan 0.000 0.426 210 N N 2.806 121.534 118.700 0.048 0.000 2.346 210 N HA 0.661 5.400 4.740 -0.001 0.000 0.289 210 N C 0.154 175.672 175.510 0.014 0.000 1.027 210 N CA 0.240 53.309 53.050 0.032 0.000 0.864 210 N CB 2.143 40.645 38.487 0.024 0.000 1.370 210 N HN 1.239 nan 8.380 nan 0.000 0.481 211 G N 0.409 109.218 108.800 0.015 0.000 2.940 211 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.273 211 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.273 211 G C 0.233 175.131 174.900 -0.004 0.000 1.030 211 G CA 0.127 45.229 45.100 0.004 0.000 1.066 211 G HN 0.924 nan 8.290 nan 0.000 0.466 212 V N -2.665 117.256 119.914 0.012 0.000 3.304 212 V HA 0.238 4.357 4.120 -0.001 0.000 0.254 212 V C 0.162 176.294 176.094 0.063 0.000 1.811 212 V CA 0.649 62.946 62.300 -0.005 0.000 1.006 212 V CB -0.560 31.243 31.823 -0.034 0.000 0.948 212 V HN 1.475 nan 8.190 nan 0.000 0.346 213 D N 1.108 121.568 120.400 0.100 0.000 5.989 213 D HA 0.109 4.749 4.640 -0.001 0.000 0.236 213 D C 1.200 177.621 176.300 0.202 0.000 1.693 213 D CA 1.971 56.039 54.000 0.113 0.000 1.470 213 D CB -1.183 39.664 40.800 0.079 0.000 0.653 213 D HN 1.656 nan 8.370 nan 0.000 0.358 214 G N 1.414 110.268 108.800 0.090 0.000 2.284 214 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.261 214 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.261 214 G C 0.685 175.481 174.900 -0.174 0.000 0.997 214 G CA 0.826 45.909 45.100 -0.029 0.000 0.621 214 G HN 0.525 nan 8.290 nan 0.000 0.534 215 Y N 1.349 121.620 120.300 -0.049 0.000 2.449 215 Y HA 0.347 4.896 4.550 -0.001 0.000 0.254 215 Y C 1.211 177.049 175.900 -0.103 0.000 1.140 215 Y CA -0.263 57.777 58.100 -0.100 0.000 1.272 215 Y CB 0.339 38.733 38.460 -0.111 0.000 1.114 215 Y HN 0.201 nan 8.280 nan 0.000 0.525 216 D N -0.176 120.274 120.400 0.083 0.000 2.399 216 D HA 0.118 4.757 4.640 -0.001 0.000 0.241 216 D C -1.122 175.246 176.300 0.114 0.000 1.133 216 D CA 0.718 54.762 54.000 0.072 0.000 0.890 216 D CB 0.554 41.385 40.800 0.052 0.000 1.201 216 D HN 0.085 nan 8.370 nan 0.000 0.432 217 Y N 0.305 120.616 120.300 0.018 0.000 2.442 217 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 217 Y C -0.716 175.266 175.900 0.136 0.000 1.100 217 Y CA -0.705 57.453 58.100 0.095 0.000 1.034 217 Y CB 1.291 39.861 38.460 0.183 0.000 1.285 217 Y HN 0.465 nan 8.280 nan 0.000 0.440 218 S N 4.150 119.849 115.700 -0.002 0.000 2.654 218 S HA 0.510 4.979 4.470 -0.001 0.000 0.283 218 S C 0.649 175.338 174.600 0.148 0.000 1.180 218 S CA -0.917 57.325 58.200 0.069 0.000 1.021 218 S CB 2.086 65.272 63.200 -0.024 0.000 1.018 218 S HN 0.879 nan 8.310 nan 0.000 0.532 219 R N 0.638 121.228 120.500 0.150 0.000 2.189 219 R HA -0.006 4.333 4.340 -0.001 0.000 0.223 219 R C 2.122 178.446 176.300 0.039 0.000 1.092 219 R CA 1.161 57.348 56.100 0.146 0.000 0.989 219 R CB -0.697 29.680 30.300 0.127 0.000 0.876 219 R HN 0.867 nan 8.270 nan 0.000 0.457 220 G N -0.031 108.767 108.800 -0.003 0.000 2.453 220 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.215 220 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.215 220 G C 1.199 176.064 174.900 -0.059 0.000 1.147 220 G CA -0.188 44.879 45.100 -0.055 0.000 0.802 220 G HN 0.245 nan 8.290 nan 0.000 0.535 221 Q N -0.519 119.223 119.800 -0.096 0.000 2.439 221 Q HA -0.004 4.336 4.340 -0.001 0.000 0.211 221 Q C 2.238 178.226 176.000 -0.020 0.000 0.978 221 Q CA 0.292 55.982 55.803 -0.187 0.000 0.897 221 Q CB -0.067 28.346 28.738 -0.541 0.000 0.956 221 Q HN 0.418 nan 8.270 nan 0.000 0.483 222 L N 0.547 121.858 121.223 0.145 0.000 1.961 222 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 222 L C 1.999 178.927 176.870 0.097 0.000 1.075 222 L CA 1.668 56.631 54.840 0.206 0.000 0.749 222 L CB -0.668 41.460 42.059 0.115 0.000 0.890 222 L HN 0.233 nan 8.230 nan 0.000 0.433 223 I N -0.308 120.255 120.570 -0.012 0.000 2.121 223 I HA -0.434 3.735 4.170 -0.001 0.000 0.243 223 I C 2.549 178.738 176.117 0.119 0.000 1.047 223 I CA 2.104 63.435 61.300 0.051 0.000 1.308 223 I CB -0.617 37.333 38.000 -0.084 0.000 1.015 223 I HN 0.524 nan 8.210 nan 0.000 0.410 224 E N 1.214 121.457 120.200 0.071 0.000 2.033 224 E HA -0.297 4.053 4.350 -0.001 0.000 0.199 224 E C 1.712 178.388 176.600 0.126 0.000 1.011 224 E CA 2.315 58.766 56.400 0.086 0.000 0.815 224 E CB -0.035 29.684 29.700 0.032 0.000 0.755 224 E HN 0.468 nan 8.360 nan 0.000 0.451 225 D N -0.153 120.317 120.400 0.117 0.000 2.092 225 D HA -0.164 4.476 4.640 -0.001 0.000 0.193 225 D C 2.055 178.465 176.300 0.183 0.000 0.994 225 D CA 1.540 55.624 54.000 0.141 0.000 0.828 225 D CB -0.214 40.711 40.800 0.208 0.000 0.963 225 D HN 0.069 nan 8.370 nan 0.000 0.450 226 V N 1.114 121.114 119.914 0.143 0.000 2.231 226 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 226 V C 2.210 178.327 176.094 0.039 0.000 1.054 226 V CA 2.003 64.332 62.300 0.048 0.000 1.015 226 V CB -0.553 31.259 31.823 -0.018 0.000 0.638 226 V HN 0.278 nan 8.190 nan 0.000 0.444 227 E N -0.951 119.304 120.200 0.092 0.000 2.077 227 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 227 E C 2.226 178.907 176.600 0.136 0.000 0.989 227 E CA 1.365 57.797 56.400 0.053 0.000 0.800 227 E CB -0.376 29.413 29.700 0.149 0.000 0.746 227 E HN 0.714 nan 8.360 nan 0.000 0.452 228 H N 1.092 120.209 119.070 0.078 0.000 2.253 228 H HA -0.134 4.422 4.556 -0.001 0.000 0.296 228 H C 2.291 177.664 175.328 0.075 0.000 1.074 228 H CA 2.156 58.246 56.048 0.071 0.000 1.263 228 H CB -0.420 29.384 29.762 0.070 0.000 1.363 228 H HN 0.107 nan 8.280 nan 0.000 0.489 229 T N 0.052 114.864 114.554 0.430 0.000 2.699 229 T HA -0.238 4.111 4.350 -0.001 0.000 0.268 229 T C 1.973 176.785 174.700 0.187 0.000 1.036 229 T CA 1.865 64.159 62.100 0.325 0.000 1.147 229 T CB -0.825 68.229 68.868 0.310 0.000 0.862 229 T HN 0.344 nan 8.240 nan 0.000 0.446 230 F N 1.764 121.750 119.950 0.060 0.000 2.171 230 F HA 0.014 4.540 4.527 -0.001 0.000 0.300 230 F C 2.343 178.077 175.800 -0.111 0.000 1.090 230 F CA 1.457 59.434 58.000 -0.038 0.000 1.293 230 F CB -0.313 38.483 39.000 -0.340 0.000 1.013 230 F HN 0.127 nan 8.300 nan 0.000 0.486 231 E N 0.729 120.819 120.200 -0.183 0.000 2.097 231 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 231 E C 1.995 178.418 176.600 -0.294 0.000 1.000 231 E CA 1.618 57.864 56.400 -0.257 0.000 0.804 231 E CB -0.495 29.096 29.700 -0.182 0.000 0.740 231 E HN 0.605 nan 8.360 nan 0.000 0.454 232 E N -0.253 119.808 120.200 -0.232 0.000 2.516 232 E HA -0.052 4.298 4.350 -0.001 0.000 0.199 232 E C 1.688 178.151 176.600 -0.228 0.000 1.069 232 E CA 0.066 56.355 56.400 -0.185 0.000 0.876 232 E CB 0.051 29.686 29.700 -0.109 0.000 0.843 232 E HN 0.297 nan 8.360 nan 0.000 0.530 233 I N 0.199 120.567 120.570 -0.337 0.000 3.526 233 I HA -0.115 4.055 4.170 -0.001 0.000 0.294 233 I C 1.940 177.845 176.117 -0.353 0.000 1.229 233 I CA 0.023 61.109 61.300 -0.356 0.000 1.408 233 I CB 0.042 37.822 38.000 -0.367 0.000 1.127 233 I HN -0.081 nan 8.210 nan 0.000 0.439 234 K N 1.420 121.561 120.400 -0.430 0.000 2.032 234 K HA -0.218 4.101 4.320 -0.001 0.000 0.218 234 K C -0.367 176.170 176.600 -0.105 0.000 1.054 234 K CA 1.934 58.069 56.287 -0.253 0.000 0.941 234 K CB -2.056 30.297 32.500 -0.245 0.000 0.720 234 K HN 0.260 nan 8.250 nan 0.000 0.449 235 P HA -0.190 nan 4.420 nan 0.000 0.215 235 P C 1.670 178.960 177.300 -0.017 0.000 1.163 235 P CA 1.016 64.117 63.100 0.002 0.000 0.894 235 P CB -0.072 31.643 31.700 0.025 0.000 0.791 236 L N -1.684 119.288 121.223 -0.417 0.000 2.046 236 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 236 L C 2.387 179.222 176.870 -0.057 0.000 1.077 236 L CA 1.815 56.342 54.840 -0.521 0.000 0.747 236 L CB -1.624 40.037 42.059 -0.664 0.000 0.896 236 L HN -0.073 nan 8.230 nan 0.000 0.432 237 Y N 0.477 120.695 120.300 -0.135 0.000 2.293 237 Y HA -0.150 4.400 4.550 -0.001 0.000 0.291 237 Y C 2.330 178.339 175.900 0.182 0.000 1.137 237 Y CA 1.846 59.943 58.100 -0.005 0.000 1.202 237 Y CB -0.159 38.282 38.460 -0.032 0.000 0.990 237 Y HN 0.400 nan 8.280 nan 0.000 0.537 238 E N -1.083 119.157 120.200 0.067 0.000 2.110 238 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 238 E C 1.978 178.556 176.600 -0.037 0.000 0.988 238 E CA 1.195 57.571 56.400 -0.041 0.000 0.804 238 E CB -0.240 29.346 29.700 -0.191 0.000 0.745 238 E HN 0.642 nan 8.360 nan 0.000 0.458 239 H N 0.457 119.575 119.070 0.080 0.000 2.307 239 H HA -0.062 4.493 4.556 -0.001 0.000 0.303 239 H C 2.389 177.823 175.328 0.177 0.000 1.073 239 H CA 0.770 56.897 56.048 0.132 0.000 1.338 239 H CB -0.244 29.646 29.762 0.214 0.000 1.389 239 H HN 0.139 nan 8.280 nan 0.000 0.503 240 L N 1.109 122.502 121.223 0.283 0.000 2.010 240 L HA -0.301 4.038 4.340 -0.001 0.000 0.219 240 L C 2.525 179.589 176.870 0.323 0.000 1.077 240 L CA 1.953 56.972 54.840 0.298 0.000 0.773 240 L CB -0.915 41.257 42.059 0.188 0.000 0.892 240 L HN 0.431 nan 8.230 nan 0.000 0.436 241 H N -0.097 119.010 119.070 0.062 0.000 2.265 241 H HA -0.197 4.359 4.556 -0.001 0.000 0.295 241 H C 2.031 177.400 175.328 0.068 0.000 1.084 241 H CA 2.111 58.198 56.048 0.064 0.000 1.261 241 H CB 0.073 29.804 29.762 -0.052 0.000 1.360 241 H HN 0.453 nan 8.280 nan 0.000 0.487 242 A N 0.376 123.357 122.820 0.270 0.000 1.917 242 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 242 A C 2.434 180.095 177.584 0.128 0.000 1.182 242 A CA 1.935 54.066 52.037 0.156 0.000 0.633 242 A CB -1.273 17.729 19.000 0.004 0.000 0.819 242 A HN 0.677 nan 8.150 nan 0.000 0.448 243 Y N 0.687 121.014 120.300 0.045 0.000 2.206 243 Y HA -0.078 4.471 4.550 -0.001 0.000 0.292 243 Y C 2.488 178.386 175.900 -0.003 0.000 1.123 243 Y CA 1.846 59.966 58.100 0.034 0.000 1.142 243 Y CB -0.595 37.931 38.460 0.110 0.000 1.006 243 Y HN 0.223 nan 8.280 nan 0.000 0.518 244 V N 0.370 120.184 119.914 -0.166 0.000 2.594 244 V HA -0.165 3.954 4.120 -0.001 0.000 0.253 244 V C 2.379 178.264 176.094 -0.350 0.000 1.069 244 V CA 2.058 64.144 62.300 -0.356 0.000 1.082 244 V CB -0.917 30.752 31.823 -0.257 0.000 0.680 244 V HN 0.424 nan 8.190 nan 0.000 0.469 245 R N 0.820 121.151 120.500 -0.281 0.000 2.075 245 R HA -0.081 4.259 4.340 -0.001 0.000 0.230 245 R C 2.487 178.682 176.300 -0.175 0.000 1.140 245 R CA 2.090 58.048 56.100 -0.237 0.000 0.928 245 R CB -1.003 29.211 30.300 -0.143 0.000 0.834 245 R HN 0.541 nan 8.270 nan 0.000 0.429 246 A N 1.644 124.386 122.820 -0.130 0.000 1.896 246 A HA -0.282 4.037 4.320 -0.001 0.000 0.220 246 A C 2.077 179.566 177.584 -0.160 0.000 1.206 246 A CA 2.164 54.135 52.037 -0.110 0.000 0.647 246 A CB -0.707 18.258 19.000 -0.058 0.000 0.828 246 A HN 0.305 nan 8.150 nan 0.000 0.455 247 K N -0.442 119.798 120.400 -0.266 0.000 2.044 247 K HA -0.097 4.223 4.320 -0.001 0.000 0.210 247 K C 1.931 178.402 176.600 -0.215 0.000 1.049 247 K CA 1.511 57.625 56.287 -0.289 0.000 0.927 247 K CB -0.795 31.427 32.500 -0.463 0.000 0.713 247 K HN 0.614 nan 8.250 nan 0.000 0.443 248 L N 0.469 121.572 121.223 -0.200 0.000 2.201 248 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 248 L C 2.449 179.298 176.870 -0.035 0.000 1.105 248 L CA 0.700 55.476 54.840 -0.107 0.000 0.775 248 L CB -0.378 41.628 42.059 -0.089 0.000 0.913 248 L HN 0.200 nan 8.230 nan 0.000 0.440 249 M N -0.526 119.034 119.600 -0.066 0.000 2.159 249 M HA -0.179 4.300 4.480 -0.001 0.000 0.263 249 M C 1.762 178.040 176.300 -0.038 0.000 1.063 249 M CA 1.471 56.752 55.300 -0.033 0.000 1.110 249 M CB -0.637 31.927 32.600 -0.061 0.000 1.374 249 M HN 0.320 nan 8.290 nan 0.000 0.411 250 N N 1.041 119.691 118.700 -0.083 0.000 2.216 250 N HA -0.022 4.718 4.740 -0.001 0.000 0.183 250 N C 1.864 177.296 175.510 -0.130 0.000 1.017 250 N CA 1.535 54.530 53.050 -0.092 0.000 0.861 250 N CB -0.465 37.961 38.487 -0.102 0.000 0.986 250 N HN 0.335 nan 8.380 nan 0.000 0.428 251 A N 0.669 123.362 122.820 -0.212 0.000 1.845 251 A HA -0.122 4.198 4.320 -0.001 0.000 0.215 251 A C 0.314 177.608 177.584 -0.483 0.000 1.195 251 A CA 1.186 52.963 52.037 -0.434 0.000 0.616 251 A CB -0.716 17.911 19.000 -0.621 0.000 0.832 251 A HN 0.320 nan 8.150 nan 0.000 0.443 252 Y N 0.054 120.375 120.300 0.036 0.000 2.902 252 Y HA 0.365 4.915 4.550 -0.001 0.000 0.353 252 Y C -2.584 173.436 175.900 0.200 0.000 1.116 252 Y CA -3.409 54.787 58.100 0.160 0.000 1.222 252 Y CB -0.217 38.332 38.460 0.149 0.000 1.302 252 Y HN 0.163 nan 8.280 nan 0.000 0.590 253 P HA -0.070 nan 4.420 nan 0.000 0.262 253 P C 0.868 178.148 177.300 -0.034 0.000 1.182 253 P CA 1.524 64.654 63.100 0.051 0.000 0.761 253 P CB 1.029 32.731 31.700 0.002 0.000 0.795 254 S N 1.804 117.454 115.700 -0.083 0.000 2.105 254 S HA -0.303 4.166 4.470 -0.001 0.000 0.242 254 S C 1.030 175.512 174.600 -0.196 0.000 1.128 254 S CA 1.102 59.184 58.200 -0.197 0.000 1.482 254 S CB -2.802 60.190 63.200 -0.347 0.000 1.865 254 S HN 0.356 nan 8.310 nan 0.000 0.577 255 Y N 1.881 122.159 120.300 -0.037 0.000 2.544 255 Y HA 0.549 5.099 4.550 -0.001 0.000 0.286 255 Y C 1.303 177.290 175.900 0.144 0.000 1.141 255 Y CA 0.551 58.626 58.100 -0.041 0.000 1.299 255 Y CB 0.164 38.470 38.460 -0.256 0.000 1.030 255 Y HN 0.453 nan 8.280 nan 0.000 0.543 256 I N -1.207 119.453 120.570 0.150 0.000 2.603 256 I HA 0.250 4.419 4.170 -0.001 0.000 0.300 256 I C -0.107 175.762 176.117 -0.414 0.000 1.017 256 I CA -1.063 60.186 61.300 -0.084 0.000 1.098 256 I CB 1.947 39.906 38.000 -0.068 0.000 1.279 256 I HN -0.302 nan 8.210 nan 0.000 0.437 257 S N 4.999 120.068 115.700 -1.052 0.000 2.438 257 S HA 0.358 4.827 4.470 -0.001 0.000 0.293 257 S C -1.757 172.553 174.600 -0.482 0.000 1.141 257 S CA -1.532 56.093 58.200 -0.959 0.000 1.080 257 S CB 1.101 63.223 63.200 -1.796 0.000 0.978 257 S HN 0.330 nan 8.310 nan 0.000 0.479 258 P HA -0.125 nan 4.420 nan 0.000 0.218 258 P C 0.893 178.214 177.300 0.034 0.000 1.146 258 P CA 1.233 64.278 63.100 -0.092 0.000 0.820 258 P CB -0.081 31.578 31.700 -0.068 0.000 0.778 259 I N -6.738 113.823 120.570 -0.015 0.000 4.227 259 I HA 0.413 4.583 4.170 -0.001 0.000 0.334 259 I C 0.859 177.087 176.117 0.184 0.000 1.341 259 I CA -0.273 61.162 61.300 0.225 0.000 1.123 259 I CB 0.291 38.312 38.000 0.034 0.000 1.097 259 I HN -0.282 nan 8.210 nan 0.000 0.399 260 G N 0.797 109.542 108.800 -0.091 0.000 2.462 260 G HA2 0.437 4.397 3.960 -0.001 0.000 0.319 260 G HA3 0.437 4.397 3.960 -0.001 0.000 0.319 260 G C -0.299 174.686 174.900 0.140 0.000 1.171 260 G CA -0.370 44.723 45.100 -0.013 0.000 0.920 260 G HN 0.306 nan 8.290 nan 0.000 0.499 261 C N -0.770 118.705 119.300 0.293 0.000 2.758 261 C HA 0.247 4.706 4.460 -0.001 0.000 0.371 261 C C 0.879 175.969 174.990 0.167 0.000 1.342 261 C CA -0.399 58.724 59.018 0.175 0.000 2.257 261 C CB -0.469 27.317 27.740 0.077 0.000 2.621 261 C HN 0.467 nan 8.230 nan 0.000 0.730 262 L N 2.706 123.962 121.223 0.054 0.000 2.326 262 L HA 0.294 4.634 4.340 -0.001 0.000 0.278 262 L C -2.199 174.653 176.870 -0.031 0.000 1.092 262 L CA -1.395 53.409 54.840 -0.060 0.000 0.810 262 L CB 0.381 42.280 42.059 -0.266 0.000 1.153 262 L HN 0.383 nan 8.230 nan 0.000 0.439 263 P HA 0.032 nan 4.420 nan 0.000 0.270 263 P C 0.300 177.409 177.300 -0.318 0.000 1.242 263 P CA -0.054 62.945 63.100 -0.169 0.000 0.768 263 P CB 1.168 32.749 31.700 -0.198 0.000 0.820 264 A N 4.449 127.133 122.820 -0.228 0.000 1.997 264 A HA -0.248 4.071 4.320 -0.001 0.000 0.221 264 A C 1.722 179.149 177.584 -0.263 0.000 1.172 264 A CA 1.793 53.765 52.037 -0.109 0.000 0.645 264 A CB -1.407 17.636 19.000 0.072 0.000 0.813 264 A HN 0.733 nan 8.150 nan 0.000 0.454 265 H N -1.138 117.484 119.070 -0.746 0.000 2.551 265 H HA 0.211 4.766 4.556 -0.001 0.000 0.266 265 H C 0.888 175.990 175.328 -0.377 0.000 0.977 265 H CA 0.770 56.467 56.048 -0.584 0.000 1.163 265 H CB -0.504 28.815 29.762 -0.737 0.000 1.381 265 H HN 0.468 nan 8.280 nan 0.000 0.581 266 L N 1.239 122.023 121.223 -0.732 0.000 2.848 266 L HA 0.239 4.578 4.340 -0.001 0.000 0.240 266 L C 0.938 177.630 176.870 -0.297 0.000 1.232 266 L CA -0.046 54.445 54.840 -0.580 0.000 1.031 266 L CB 0.271 41.846 42.059 -0.806 0.000 1.338 266 L HN 0.098 nan 8.230 nan 0.000 0.509 267 L N -0.112 120.994 121.223 -0.196 0.000 2.700 267 L HA 0.374 4.714 4.340 -0.001 0.000 0.234 267 L C 1.498 178.364 176.870 -0.007 0.000 1.156 267 L CA 0.367 55.105 54.840 -0.171 0.000 0.946 267 L CB 0.194 42.201 42.059 -0.087 0.000 1.216 267 L HN 0.476 nan 8.230 nan 0.000 0.493 268 G N 0.693 109.505 108.800 0.020 0.000 2.241 268 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.244 268 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.244 268 G C -0.082 174.884 174.900 0.110 0.000 0.998 268 G CA 0.418 45.565 45.100 0.078 0.000 0.621 268 G HN 0.541 nan 8.290 nan 0.000 0.519 269 D N -2.272 118.208 120.400 0.133 0.000 2.752 269 D HA 0.604 5.243 4.640 -0.001 0.000 0.313 269 D C 0.984 177.302 176.300 0.029 0.000 1.225 269 D CA -0.412 53.659 54.000 0.120 0.000 0.976 269 D CB -0.148 40.812 40.800 0.266 0.000 1.443 269 D HN 0.081 nan 8.370 nan 0.000 0.515 270 M N -0.546 118.890 119.600 -0.273 0.000 2.549 270 M HA 0.160 4.640 4.480 -0.001 0.000 0.260 270 M C -0.134 175.792 176.300 -0.623 0.000 1.076 270 M CA 1.403 56.220 55.300 -0.806 0.000 1.090 270 M CB -0.328 31.177 32.600 -1.824 0.000 1.418 270 M HN 0.569 nan 8.290 nan 0.000 0.486 271 W N -2.544 118.905 121.300 0.248 0.000 2.977 271 W HA 0.450 5.110 4.660 -0.001 0.000 0.236 271 W C 1.122 177.913 176.519 0.454 0.000 1.053 271 W CA 0.225 57.816 57.345 0.409 0.000 1.375 271 W CB -0.208 29.517 29.460 0.441 0.000 0.814 271 W HN 0.276 nan 8.180 nan 0.000 0.713 272 G N 1.876 110.970 108.800 0.490 0.000 2.131 272 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.223 272 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.223 272 G C 0.986 175.850 174.900 -0.060 0.000 0.990 272 G CA 0.423 45.760 45.100 0.395 0.000 0.671 272 G HN 0.222 nan 8.290 nan 0.000 0.521 273 R N -0.760 119.369 120.500 -0.618 0.000 2.105 273 R HA 0.112 4.452 4.340 -0.001 0.000 0.239 273 R C 0.158 175.691 176.300 -1.279 0.000 1.135 273 R CA 1.215 56.221 56.100 -1.824 0.000 0.967 273 R CB -0.087 29.399 30.300 -1.357 0.000 0.861 273 R HN 0.406 nan 8.270 nan 0.000 0.442 274 F N -1.699 118.143 119.950 -0.181 0.000 2.547 274 F HA 0.229 4.755 4.527 -0.001 0.000 0.316 274 F C -0.405 175.543 175.800 0.247 0.000 1.121 274 F CA -1.299 56.678 58.000 -0.038 0.000 0.911 274 F CB 1.379 40.351 39.000 -0.047 0.000 1.179 274 F HN -0.075 nan 8.300 nan 0.000 0.443 275 W N 1.508 122.920 121.300 0.187 0.000 3.292 275 W HA 0.059 4.718 4.660 -0.001 0.000 0.263 275 W C 1.718 178.318 176.519 0.136 0.000 1.318 275 W CA -0.259 57.170 57.345 0.139 0.000 1.663 275 W CB -1.706 27.828 29.460 0.125 0.000 1.114 275 W HN 0.462 nan 8.180 nan 0.000 0.706 276 T N 0.605 115.360 114.554 0.334 0.000 2.680 276 T HA -0.315 4.035 4.350 -0.001 0.000 0.268 276 T C 1.340 176.154 174.700 0.189 0.000 1.033 276 T CA 2.146 64.365 62.100 0.198 0.000 1.152 276 T CB -0.375 68.540 68.868 0.079 0.000 0.859 276 T HN 0.361 nan 8.240 nan 0.000 0.452 277 N N 0.390 119.197 118.700 0.178 0.000 2.521 277 N HA 0.179 4.919 4.740 -0.001 0.000 0.188 277 N C 1.420 177.007 175.510 0.128 0.000 1.146 277 N CA 0.022 53.156 53.050 0.139 0.000 0.893 277 N CB -0.156 38.396 38.487 0.108 0.000 0.975 277 N HN 0.326 nan 8.380 nan 0.000 0.451 278 L N -0.289 121.018 121.223 0.141 0.000 2.376 278 L HA -0.134 4.206 4.340 -0.001 0.000 0.219 278 L C 1.935 178.857 176.870 0.087 0.000 1.133 278 L CA 0.620 55.504 54.840 0.073 0.000 0.816 278 L CB -0.426 41.657 42.059 0.040 0.000 0.933 278 L HN 0.287 nan 8.230 nan 0.000 0.449 279 Y N 1.792 122.124 120.300 0.053 0.000 2.069 279 Y HA -0.417 4.133 4.550 -0.001 0.000 0.278 279 Y C 2.968 178.881 175.900 0.022 0.000 1.175 279 Y CA 2.041 60.170 58.100 0.048 0.000 1.134 279 Y CB -0.353 38.140 38.460 0.054 0.000 0.965 279 Y HN 0.307 nan 8.280 nan 0.000 0.498 280 S N 0.003 115.737 115.700 0.058 0.000 2.400 280 S HA -0.201 4.269 4.470 -0.001 0.000 0.232 280 S C 1.369 175.891 174.600 -0.131 0.000 1.025 280 S CA 1.640 59.824 58.200 -0.027 0.000 0.993 280 S CB -0.926 62.297 63.200 0.038 0.000 0.808 280 S HN 0.510 nan 8.310 nan 0.000 0.478 281 L N -0.049 121.094 121.223 -0.133 0.000 2.808 281 L HA 0.525 4.864 4.340 -0.001 0.000 0.246 281 L C 1.094 177.840 176.870 -0.207 0.000 1.153 281 L CA 0.435 55.177 54.840 -0.164 0.000 0.956 281 L CB -0.396 41.567 42.059 -0.161 0.000 1.270 281 L HN 0.365 nan 8.230 nan 0.000 0.528 282 T N -4.100 110.313 114.554 -0.235 0.000 3.091 282 T HA 0.265 4.614 4.350 -0.001 0.000 0.277 282 T C 0.382 174.948 174.700 -0.223 0.000 0.996 282 T CA 0.179 62.124 62.100 -0.258 0.000 0.897 282 T CB -0.160 68.584 68.868 -0.208 0.000 1.109 282 T HN 0.063 nan 8.240 nan 0.000 0.534 283 V N 3.815 123.484 119.914 -0.408 0.000 2.557 283 V HA 0.193 4.312 4.120 -0.001 0.000 0.301 283 V C -1.111 174.853 176.094 -0.217 0.000 1.026 283 V CA -1.192 60.803 62.300 -0.508 0.000 1.137 283 V CB 1.266 32.691 31.823 -0.663 0.000 0.917 283 V HN 0.145 nan 8.190 nan 0.000 0.484 284 P HA -0.043 nan 4.420 nan 0.000 0.215 284 P C -0.194 176.599 177.300 -0.845 0.000 1.157 284 P CA 1.516 64.319 63.100 -0.495 0.000 0.868 284 P CB 0.094 31.310 31.700 -0.806 0.000 0.788 285 F N -1.919 118.043 119.950 0.021 0.000 2.564 285 F HA 0.436 4.962 4.527 -0.001 0.000 0.361 285 F C 1.580 177.397 175.800 0.027 0.000 1.161 285 F CA -0.807 57.212 58.000 0.032 0.000 1.198 285 F CB 0.286 39.300 39.000 0.023 0.000 1.424 285 F HN -0.175 nan 8.300 nan 0.000 0.517 286 G N 0.594 109.452 108.800 0.096 0.000 2.485 286 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.221 286 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.221 286 G C 1.473 176.431 174.900 0.098 0.000 1.115 286 G CA 0.755 45.895 45.100 0.066 0.000 0.751 286 G HN 0.375 nan 8.290 nan 0.000 0.567 287 Q N -0.052 119.821 119.800 0.121 0.000 2.369 287 Q HA 0.086 4.426 4.340 -0.001 0.000 0.206 287 Q C 1.080 177.131 176.000 0.085 0.000 0.963 287 Q CA 0.512 56.369 55.803 0.090 0.000 0.894 287 Q CB -0.087 28.699 28.738 0.081 0.000 0.965 287 Q HN 0.254 nan 8.270 nan 0.000 0.475 288 K N 1.529 122.003 120.400 0.123 0.000 2.187 288 K HA 0.069 4.389 4.320 -0.001 0.000 0.247 288 K C -2.123 174.558 176.600 0.135 0.000 1.019 288 K CA -1.553 54.798 56.287 0.107 0.000 0.893 288 K CB -0.172 32.417 32.500 0.149 0.000 1.025 288 K HN -0.114 nan 8.250 nan 0.000 0.500 289 P HA 0.135 nan 4.420 nan 0.000 0.214 289 P C -1.212 176.233 177.300 0.241 0.000 1.849 289 P CA -0.367 62.858 63.100 0.207 0.000 1.022 289 P CB -0.376 31.474 31.700 0.249 0.000 1.912 290 N N 1.863 120.681 118.700 0.197 0.000 2.648 290 N HA -0.188 4.552 4.740 -0.001 0.000 0.296 290 N C 0.540 176.108 175.510 0.097 0.000 1.414 290 N CA -0.278 52.876 53.050 0.173 0.000 0.968 290 N CB 0.384 38.947 38.487 0.127 0.000 1.025 290 N HN 0.092 nan 8.380 nan 0.000 0.504 291 I N 1.412 122.042 120.570 0.100 0.000 3.251 291 I HA -0.038 4.132 4.170 -0.001 0.000 0.277 291 I C 0.833 176.895 176.117 -0.091 0.000 1.268 291 I CA 0.839 62.134 61.300 -0.009 0.000 1.449 291 I CB -0.852 37.199 38.000 0.085 0.000 1.083 291 I HN 0.477 nan 8.210 nan 0.000 0.464 292 D N 1.435 121.787 120.400 -0.079 0.000 2.470 292 D HA 0.060 4.699 4.640 -0.001 0.000 0.226 292 D C 1.446 177.680 176.300 -0.111 0.000 1.196 292 D CA 0.022 53.957 54.000 -0.109 0.000 0.979 292 D CB 0.620 41.385 40.800 -0.059 0.000 1.059 292 D HN 0.071 nan 8.370 nan 0.000 0.515 293 V N 1.469 121.271 119.914 -0.186 0.000 3.546 293 V HA -0.087 4.033 4.120 -0.001 0.000 0.272 293 V C 1.677 177.617 176.094 -0.256 0.000 1.228 293 V CA 0.699 62.846 62.300 -0.254 0.000 1.184 293 V CB -1.029 30.560 31.823 -0.390 0.000 0.886 293 V HN 0.283 nan 8.190 nan 0.000 0.508 294 T N 0.770 115.223 114.554 -0.168 0.000 2.635 294 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 294 T C 1.609 176.233 174.700 -0.127 0.000 1.040 294 T CA 2.357 64.380 62.100 -0.128 0.000 1.156 294 T CB -0.399 68.433 68.868 -0.060 0.000 0.863 294 T HN 0.649 nan 8.240 nan 0.000 0.430 295 D N 0.942 121.282 120.400 -0.099 0.000 2.097 295 D HA -0.008 4.631 4.640 -0.001 0.000 0.197 295 D C 2.487 178.713 176.300 -0.124 0.000 0.984 295 D CA 1.179 55.131 54.000 -0.080 0.000 0.826 295 D CB -0.298 40.476 40.800 -0.044 0.000 0.973 295 D HN 0.374 nan 8.370 nan 0.000 0.460 296 A N 1.063 123.781 122.820 -0.170 0.000 1.958 296 A HA -0.235 4.085 4.320 -0.001 0.000 0.221 296 A C 2.250 179.633 177.584 -0.336 0.000 1.178 296 A CA 1.644 53.546 52.037 -0.226 0.000 0.642 296 A CB -0.611 18.229 19.000 -0.267 0.000 0.816 296 A HN 0.193 nan 8.150 nan 0.000 0.453 297 M N -1.229 118.117 119.600 -0.423 0.000 2.132 297 M HA -0.101 4.379 4.480 -0.001 0.000 0.263 297 M C 2.084 178.254 176.300 -0.217 0.000 1.065 297 M CA 1.263 56.226 55.300 -0.561 0.000 1.122 297 M CB -0.280 32.048 32.600 -0.453 0.000 1.365 297 M HN 0.255 nan 8.290 nan 0.000 0.411 298 V N 0.111 119.956 119.914 -0.115 0.000 2.358 298 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 298 V C 1.497 177.587 176.094 -0.007 0.000 1.047 298 V CA 1.676 63.963 62.300 -0.021 0.000 1.035 298 V CB -0.619 31.195 31.823 -0.015 0.000 0.658 298 V HN 0.382 nan 8.190 nan 0.000 0.452 299 D N -0.363 120.013 120.400 -0.041 0.000 2.371 299 D HA -0.086 4.554 4.640 -0.001 0.000 0.221 299 D C 1.830 178.134 176.300 0.005 0.000 0.986 299 D CA 0.807 54.796 54.000 -0.018 0.000 0.899 299 D CB 0.048 40.828 40.800 -0.034 0.000 0.902 299 D HN 0.537 nan 8.370 nan 0.000 0.530 300 Q N -0.803 119.002 119.800 0.008 0.000 2.159 300 Q HA 0.404 4.744 4.340 -0.001 0.000 0.217 300 Q C 0.410 176.557 176.000 0.245 0.000 0.818 300 Q CA -0.004 55.861 55.803 0.103 0.000 1.008 300 Q CB 1.184 29.957 28.738 0.058 0.000 1.148 300 Q HN 0.120 nan 8.270 nan 0.000 0.491 301 A N 0.073 123.002 122.820 0.182 0.000 2.832 301 A HA -0.186 4.133 4.320 -0.001 0.000 0.280 301 A C -0.582 177.179 177.584 0.295 0.000 1.464 301 A CA 0.383 52.535 52.037 0.193 0.000 0.804 301 A CB -2.151 16.930 19.000 0.134 0.000 1.020 301 A HN 0.487 nan 8.150 nan 0.000 0.563 302 W N 1.178 122.501 121.300 0.039 0.000 2.223 302 W HA 0.458 5.117 4.660 -0.001 0.000 0.334 302 W C 0.598 177.164 176.519 0.078 0.000 1.334 302 W CA 0.617 57.998 57.345 0.060 0.000 1.246 302 W CB 0.369 29.865 29.460 0.060 0.000 1.184 302 W HN 0.651 nan 8.180 nan 0.000 0.563 303 D N 0.621 121.142 120.400 0.202 0.000 2.506 303 D HA 0.546 5.185 4.640 -0.001 0.000 0.254 303 D C 0.846 177.271 176.300 0.208 0.000 1.089 303 D CA -0.462 53.641 54.000 0.173 0.000 1.050 303 D CB 0.305 41.169 40.800 0.107 0.000 1.221 303 D HN 0.271 nan 8.370 nan 0.000 0.589 304 A N -0.523 122.433 122.820 0.227 0.000 1.902 304 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 304 A C 1.996 179.816 177.584 0.394 0.000 1.181 304 A CA 1.406 53.645 52.037 0.336 0.000 0.623 304 A CB -0.821 18.364 19.000 0.309 0.000 0.818 304 A HN 0.551 nan 8.150 nan 0.000 0.443 305 Q N -0.669 119.280 119.800 0.249 0.000 2.014 305 Q HA -0.271 4.069 4.340 -0.001 0.000 0.207 305 Q C 2.337 178.429 176.000 0.154 0.000 0.993 305 Q CA 2.222 58.147 55.803 0.204 0.000 0.850 305 Q CB -0.363 28.413 28.738 0.062 0.000 0.916 305 Q HN 0.600 nan 8.270 nan 0.000 0.417 306 R N 0.810 121.316 120.500 0.009 0.000 2.103 306 R HA -0.123 4.217 4.340 -0.001 0.000 0.242 306 R C 2.181 178.416 176.300 -0.108 0.000 1.142 306 R CA 1.275 57.259 56.100 -0.194 0.000 0.960 306 R CB -0.663 29.320 30.300 -0.530 0.000 0.858 306 R HN 0.252 nan 8.270 nan 0.000 0.439 307 I N -0.149 120.482 120.570 0.103 0.000 2.163 307 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 307 I C 2.007 178.169 176.117 0.074 0.000 1.085 307 I CA 1.637 63.058 61.300 0.201 0.000 1.347 307 I CB -0.898 37.230 38.000 0.213 0.000 1.044 307 I HN 0.103 nan 8.210 nan 0.000 0.408 308 F N 1.026 121.130 119.950 0.257 0.000 2.187 308 F HA -0.121 4.405 4.527 -0.001 0.000 0.295 308 F C 2.553 178.613 175.800 0.434 0.000 1.091 308 F CA 1.100 59.301 58.000 0.334 0.000 1.308 308 F CB -0.484 38.792 39.000 0.460 0.000 1.030 308 F HN -0.090 nan 8.300 nan 0.000 0.487 309 K N 0.664 121.423 120.400 0.599 0.000 2.152 309 K HA -0.213 4.107 4.320 -0.001 0.000 0.206 309 K C 1.906 178.645 176.600 0.232 0.000 1.048 309 K CA 1.240 57.761 56.287 0.389 0.000 0.933 309 K CB -0.186 32.324 32.500 0.018 0.000 0.721 309 K HN 0.045 nan 8.250 nan 0.000 0.447 310 E N -0.104 120.187 120.200 0.153 0.000 2.047 310 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 310 E C 1.690 178.372 176.600 0.137 0.000 0.987 310 E CA 1.593 58.074 56.400 0.134 0.000 0.799 310 E CB -0.420 29.369 29.700 0.147 0.000 0.752 310 E HN 0.312 nan 8.360 nan 0.000 0.449 311 A N 0.749 123.541 122.820 -0.046 0.000 1.930 311 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 311 A C 2.193 179.808 177.584 0.051 0.000 1.175 311 A CA 1.722 53.498 52.037 -0.436 0.000 0.627 311 A CB -0.682 17.761 19.000 -0.930 0.000 0.815 311 A HN 0.441 nan 8.150 nan 0.000 0.443 312 E N 0.096 120.427 120.200 0.218 0.000 2.058 312 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 312 E C 2.043 178.805 176.600 0.270 0.000 0.997 312 E CA 1.704 58.283 56.400 0.298 0.000 0.801 312 E CB -0.200 29.702 29.700 0.337 0.000 0.746 312 E HN 0.597 nan 8.360 nan 0.000 0.450 313 K N -0.298 120.228 120.400 0.211 0.000 2.113 313 K HA -0.213 4.106 4.320 -0.001 0.000 0.208 313 K C 2.048 178.734 176.600 0.144 0.000 1.047 313 K CA 1.637 58.017 56.287 0.155 0.000 0.928 313 K CB -0.384 32.194 32.500 0.131 0.000 0.716 313 K HN 0.185 nan 8.250 nan 0.000 0.446 314 F N 0.530 120.482 119.950 0.004 0.000 2.046 314 F HA -0.260 4.267 4.527 -0.001 0.000 0.297 314 F C 1.627 177.334 175.800 -0.155 0.000 1.123 314 F CA 1.712 59.659 58.000 -0.088 0.000 1.199 314 F CB -0.516 38.355 39.000 -0.215 0.000 0.972 314 F HN -0.052 nan 8.300 nan 0.000 0.474 315 F N 0.393 120.413 119.950 0.117 0.000 2.126 315 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 315 F C 2.454 178.165 175.800 -0.148 0.000 1.096 315 F CA 1.545 59.502 58.000 -0.071 0.000 1.255 315 F CB -1.434 37.579 39.000 0.021 0.000 0.997 315 F HN -0.139 nan 8.300 nan 0.000 0.479 316 V N 0.096 120.075 119.914 0.107 0.000 2.282 316 V HA -0.354 3.766 4.120 -0.001 0.000 0.249 316 V C 2.595 178.655 176.094 -0.058 0.000 1.057 316 V CA 2.247 64.560 62.300 0.021 0.000 1.032 316 V CB -1.106 30.743 31.823 0.043 0.000 0.645 316 V HN 0.564 nan 8.190 nan 0.000 0.447 317 S N 0.685 116.322 115.700 -0.105 0.000 2.400 317 S HA -0.164 4.305 4.470 -0.001 0.000 0.232 317 S C 1.940 176.428 174.600 -0.187 0.000 1.025 317 S CA 1.880 59.996 58.200 -0.140 0.000 0.993 317 S CB -0.627 62.480 63.200 -0.155 0.000 0.808 317 S HN 0.716 nan 8.310 nan 0.000 0.478 318 V N -2.045 117.707 119.914 -0.270 0.000 3.306 318 V HA 0.608 4.728 4.120 -0.001 0.000 0.264 318 V C 1.580 177.589 176.094 -0.141 0.000 1.149 318 V CA 0.860 63.023 62.300 -0.227 0.000 1.143 318 V CB -0.670 30.975 31.823 -0.296 0.000 0.767 318 V HN 0.898 nan 8.190 nan 0.000 0.476 319 G N -0.179 108.550 108.800 -0.118 0.000 2.273 319 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.162 319 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.162 319 G C -0.154 174.663 174.900 -0.138 0.000 1.006 319 G CA -0.063 44.965 45.100 -0.121 0.000 0.704 319 G HN 0.492 nan 8.290 nan 0.000 0.487 320 L N 2.252 123.423 121.223 -0.086 0.000 2.468 320 L HA 0.516 4.855 4.340 -0.001 0.000 0.254 320 L C -1.342 175.486 176.870 -0.071 0.000 1.171 320 L CA -2.053 52.737 54.840 -0.083 0.000 0.809 320 L CB 0.608 42.669 42.059 0.003 0.000 1.155 320 L HN -0.016 nan 8.230 nan 0.000 0.473 321 P HA 0.115 nan 4.420 nan 0.000 0.276 321 P C -0.968 176.295 177.300 -0.062 0.000 1.244 321 P CA -0.609 62.445 63.100 -0.076 0.000 0.801 321 P CB 0.545 32.191 31.700 -0.091 0.000 1.006 322 N N 0.886 119.578 118.700 -0.014 0.000 2.174 322 N HA 0.009 4.748 4.740 -0.001 0.000 0.215 322 N C 0.637 176.099 175.510 -0.080 0.000 1.322 322 N CA 0.422 53.486 53.050 0.023 0.000 0.880 322 N CB 0.039 38.587 38.487 0.103 0.000 1.090 322 N HN 0.421 nan 8.380 nan 0.000 0.436 323 M N 0.832 120.365 119.600 -0.112 0.000 2.233 323 M HA 0.040 4.520 4.480 -0.001 0.000 0.350 323 M C 0.676 176.934 176.300 -0.069 0.000 1.176 323 M CA -0.270 54.821 55.300 -0.350 0.000 1.150 323 M CB -0.026 32.018 32.600 -0.927 0.000 1.530 323 M HN 0.530 nan 8.290 nan 0.000 0.459 324 T N -0.234 114.298 114.554 -0.036 0.000 2.866 324 T HA -0.048 4.301 4.350 -0.001 0.000 0.293 324 T C 1.113 175.916 174.700 0.171 0.000 1.005 324 T CA -0.068 62.092 62.100 0.100 0.000 1.162 324 T CB 0.565 69.534 68.868 0.168 0.000 0.968 324 T HN 0.753 nan 8.240 nan 0.000 0.530 325 Q N 3.097 123.024 119.800 0.212 0.000 2.224 325 Q HA -0.230 4.110 4.340 -0.001 0.000 0.213 325 Q C 2.341 178.473 176.000 0.221 0.000 0.998 325 Q CA 2.329 58.298 55.803 0.277 0.000 0.895 325 Q CB -1.077 27.770 28.738 0.181 0.000 0.926 325 Q HN 1.041 nan 8.270 nan 0.000 0.417 326 G N 0.393 109.277 108.800 0.140 0.000 2.505 326 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.220 326 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.220 326 G C 1.133 176.064 174.900 0.052 0.000 1.145 326 G CA 0.929 46.077 45.100 0.079 0.000 0.761 326 G HN 0.542 nan 8.290 nan 0.000 0.571 327 F N 0.196 120.095 119.950 -0.086 0.000 2.091 327 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 327 F C 2.406 178.075 175.800 -0.218 0.000 1.103 327 F CA 1.936 59.797 58.000 -0.231 0.000 1.228 327 F CB -0.242 38.504 39.000 -0.424 0.000 0.984 327 F HN 0.259 nan 8.300 nan 0.000 0.477 328 W N 0.700 122.046 121.300 0.076 0.000 2.436 328 W HA -0.038 4.621 4.660 -0.001 0.000 0.284 328 W C 2.221 178.676 176.519 -0.107 0.000 1.225 328 W CA 0.933 58.259 57.345 -0.031 0.000 1.271 328 W CB -0.278 29.241 29.460 0.099 0.000 1.114 328 W HN 0.061 nan 8.180 nan 0.000 0.559 329 E N -0.224 120.051 120.200 0.125 0.000 2.299 329 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 329 E C 1.422 177.993 176.600 -0.050 0.000 0.998 329 E CA 0.662 57.087 56.400 0.041 0.000 0.851 329 E CB -0.107 29.618 29.700 0.041 0.000 0.795 329 E HN 0.302 nan 8.360 nan 0.000 0.492 330 N N -0.001 118.609 118.700 -0.150 0.000 2.332 330 N HA 0.065 4.804 4.740 -0.001 0.000 0.190 330 N C 0.133 175.476 175.510 -0.279 0.000 1.117 330 N CA 0.141 53.051 53.050 -0.234 0.000 0.883 330 N CB 0.675 38.959 38.487 -0.339 0.000 1.089 330 N HN -0.117 nan 8.380 nan 0.000 0.480 331 S N 1.132 116.589 115.700 -0.405 0.000 2.579 331 S HA 0.185 4.655 4.470 -0.001 0.000 0.275 331 S C 0.320 174.847 174.600 -0.120 0.000 1.345 331 S CA -0.211 57.755 58.200 -0.391 0.000 1.031 331 S CB 1.171 63.785 63.200 -0.977 0.000 0.892 331 S HN 0.199 nan 8.310 nan 0.000 0.529 332 M N 4.058 123.669 119.600 0.018 0.000 2.044 332 M HA 0.282 4.762 4.480 -0.001 0.000 0.333 332 M C -0.818 175.408 176.300 -0.123 0.000 1.004 332 M CA -0.637 54.630 55.300 -0.054 0.000 0.954 332 M CB 0.242 32.781 32.600 -0.101 0.000 1.468 332 M HN 0.473 nan 8.290 nan 0.000 0.414 333 L N 3.233 124.377 121.223 -0.131 0.000 2.590 333 L HA 0.282 4.621 4.340 -0.001 0.000 0.227 333 L C 0.370 177.263 176.870 0.038 0.000 1.099 333 L CA 0.640 55.406 54.840 -0.122 0.000 0.872 333 L CB -0.504 41.422 42.059 -0.220 0.000 1.088 333 L HN 0.670 nan 8.230 nan 0.000 0.479 334 T N -2.371 112.197 114.554 0.023 0.000 2.928 334 T HA 0.241 4.590 4.350 -0.001 0.000 0.296 334 T C -0.425 174.282 174.700 0.012 0.000 1.000 334 T CA -0.900 61.228 62.100 0.047 0.000 0.989 334 T CB 2.362 71.267 68.868 0.062 0.000 1.005 334 T HN -0.106 nan 8.240 nan 0.000 0.442 335 D N 3.457 123.864 120.400 0.012 0.000 2.982 335 D HA -0.013 4.626 4.640 -0.001 0.000 0.222 335 D C -1.173 175.121 176.300 -0.010 0.000 1.124 335 D CA -1.088 52.907 54.000 -0.009 0.000 0.810 335 D CB 0.801 41.604 40.800 0.004 0.000 1.152 335 D HN 0.256 nan 8.370 nan 0.000 0.538 336 P HA 0.079 nan 4.420 nan 0.000 0.236 336 P C 0.654 177.948 177.300 -0.011 0.000 1.172 336 P CA 0.961 64.049 63.100 -0.022 0.000 0.759 336 P CB -0.157 31.520 31.700 -0.039 0.000 0.843 337 G N 0.397 109.192 108.800 -0.007 0.000 2.525 337 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.248 337 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.248 337 G C 0.175 175.072 174.900 -0.005 0.000 1.238 337 G CA -0.041 45.059 45.100 -0.000 0.000 0.926 337 G HN 0.466 nan 8.290 nan 0.000 0.574 338 N N 0.123 118.824 118.700 0.001 0.000 2.318 338 N HA 0.377 5.117 4.740 -0.001 0.000 0.283 338 N C 1.778 177.287 175.510 -0.003 0.000 1.306 338 N CA 1.462 54.512 53.050 0.001 0.000 0.941 338 N CB -0.333 38.158 38.487 0.007 0.000 1.059 338 N HN 1.904 nan 8.380 nan 0.000 0.496 339 V N -1.286 118.629 119.914 0.001 0.000 0.654 339 V HA -0.340 3.779 4.120 -0.001 0.000 0.092 339 V C 0.724 176.815 176.094 -0.006 0.000 1.273 339 V CA 2.398 64.698 62.300 0.000 0.000 3.214 339 V CB -1.626 30.198 31.823 0.001 0.000 0.444 339 V HN 0.970 nan 8.190 nan 0.000 0.438 340 Q N 2.272 122.064 119.800 -0.014 0.000 2.456 340 Q HA 0.329 4.669 4.340 -0.001 0.000 0.234 340 Q C -0.314 175.659 176.000 -0.044 0.000 1.061 340 Q CA -0.172 55.614 55.803 -0.027 0.000 0.896 340 Q CB 0.757 29.476 28.738 -0.030 0.000 1.233 340 Q HN 0.618 nan 8.270 nan 0.000 0.506 341 K N 1.573 121.946 120.400 -0.045 0.000 2.098 341 K HA 0.750 5.069 4.320 -0.001 0.000 0.261 341 K C -1.059 175.477 176.600 -0.106 0.000 0.987 341 K CA -0.321 55.932 56.287 -0.056 0.000 0.916 341 K CB 1.665 34.148 32.500 -0.029 0.000 1.039 341 K HN 0.633 nan 8.250 nan 0.000 0.455 342 A N 0.881 123.631 122.820 -0.117 0.000 2.606 342 A HA 0.450 4.770 4.320 -0.001 0.000 0.293 342 A C -0.915 176.592 177.584 -0.128 0.000 1.082 342 A CA -0.861 51.066 52.037 -0.183 0.000 0.685 342 A CB 0.987 19.855 19.000 -0.219 0.000 1.284 342 A HN 0.484 nan 8.150 nan 0.000 0.408 343 V N -1.300 118.531 119.914 -0.139 0.000 2.686 343 V HA 0.395 4.515 4.120 -0.001 0.000 0.295 343 V C 0.744 176.835 176.094 -0.005 0.000 1.055 343 V CA 0.082 62.374 62.300 -0.013 0.000 1.050 343 V CB 0.489 32.356 31.823 0.074 0.000 0.984 343 V HN 0.952 nan 8.190 nan 0.000 0.482 344 c N 2.231 120.836 118.600 0.008 0.000 2.674 344 c HA 0.283 4.852 4.570 -0.001 0.000 0.276 344 c C 1.170 175.254 174.090 -0.009 0.000 1.300 344 c CA -0.056 56.256 56.329 -0.028 0.000 1.732 344 c CB -1.538 40.939 42.510 -0.055 0.000 2.076 344 c HN 1.059 nan 8.230 nan 0.000 0.548 345 H N 2.016 121.103 119.070 0.028 0.000 3.223 345 H HA 0.019 4.575 4.556 -0.001 0.000 0.287 345 H C -2.379 172.972 175.328 0.037 0.000 0.910 345 H CA 0.218 56.260 56.048 -0.009 0.000 1.406 345 H CB -0.144 29.557 29.762 -0.102 0.000 1.377 345 H HN 0.281 nan 8.280 nan 0.000 0.556 346 P HA 0.031 nan 4.420 nan 0.000 0.270 346 P C -0.605 176.815 177.300 0.199 0.000 1.242 346 P CA -0.046 63.161 63.100 0.179 0.000 0.768 346 P CB 0.761 32.561 31.700 0.166 0.000 0.820 347 T N 0.141 114.858 114.554 0.272 0.000 2.906 347 T HA 0.781 5.130 4.350 -0.001 0.000 0.295 347 T C -0.837 174.116 174.700 0.422 0.000 1.061 347 T CA -1.127 61.145 62.100 0.286 0.000 1.000 347 T CB 2.011 71.089 68.868 0.350 0.000 1.103 347 T HN 0.196 nan 8.240 nan 0.000 0.486 348 A N 1.734 124.715 122.820 0.269 0.000 2.293 348 A HA 0.606 4.926 4.320 -0.001 0.000 0.312 348 A C -1.243 176.519 177.584 0.296 0.000 1.309 348 A CA -0.884 51.344 52.037 0.319 0.000 0.839 348 A CB -0.026 19.093 19.000 0.199 0.000 1.155 348 A HN 0.734 nan 8.150 nan 0.000 0.501 349 W N 1.384 122.792 121.300 0.180 0.000 2.338 349 W HA 0.450 5.110 4.660 -0.001 0.000 0.307 349 W C -0.009 176.606 176.519 0.159 0.000 1.167 349 W CA -0.024 57.415 57.345 0.157 0.000 1.208 349 W CB 1.261 30.832 29.460 0.184 0.000 1.228 349 W HN 0.635 nan 8.180 nan 0.000 0.499 350 D N 3.601 124.152 120.400 0.252 0.000 2.683 350 D HA 0.142 4.782 4.640 -0.001 0.000 0.309 350 D C 0.825 177.168 176.300 0.073 0.000 1.238 350 D CA -0.140 53.972 54.000 0.187 0.000 0.936 350 D CB 0.254 41.199 40.800 0.242 0.000 1.001 350 D HN 0.187 nan 8.370 nan 0.000 0.505 351 L N 1.259 122.530 121.223 0.080 0.000 2.127 351 L HA 0.170 4.510 4.340 -0.001 0.000 0.211 351 L C 1.688 178.641 176.870 0.139 0.000 1.089 351 L CA 1.453 56.346 54.840 0.088 0.000 0.757 351 L CB -0.696 41.358 42.059 -0.008 0.000 0.899 351 L HN 0.550 nan 8.230 nan 0.000 0.434 352 G N -1.951 106.891 108.800 0.070 0.000 2.343 352 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.562 352 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.562 352 G C -0.599 174.262 174.900 -0.065 0.000 1.269 352 G CA -0.537 44.604 45.100 0.068 0.000 1.011 352 G HN 0.023 nan 8.290 nan 0.000 0.498 353 K N -0.784 119.499 120.400 -0.194 0.000 3.177 353 K HA -0.165 4.154 4.320 -0.001 0.000 0.266 353 K C 1.354 177.791 176.600 -0.272 0.000 0.937 353 K CA 1.625 57.708 56.287 -0.340 0.000 0.702 353 K CB -1.728 30.318 32.500 -0.756 0.000 1.365 353 K HN 2.671 nan 8.250 nan 0.000 0.466 354 G N 1.538 110.188 108.800 -0.249 0.000 2.416 354 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.301 354 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.301 354 G C -0.303 174.315 174.900 -0.470 0.000 0.985 354 G CA 0.768 45.679 45.100 -0.315 0.000 0.934 354 G HN 0.667 nan 8.290 nan 0.000 0.513 355 D N -0.386 119.689 120.400 -0.541 0.000 2.427 355 D HA 0.596 5.235 4.640 -0.001 0.000 0.226 355 D C 0.052 176.061 176.300 -0.486 0.000 1.076 355 D CA -0.683 53.114 54.000 -0.339 0.000 0.849 355 D CB 0.132 40.919 40.800 -0.021 0.000 1.052 355 D HN 0.095 nan 8.370 nan 0.000 0.515 356 F N 3.165 123.129 119.950 0.024 0.000 2.538 356 F HA 0.666 5.193 4.527 -0.001 0.000 0.325 356 F C 0.698 176.517 175.800 0.033 0.000 1.066 356 F CA -0.946 57.087 58.000 0.056 0.000 0.946 356 F CB 1.742 40.782 39.000 0.067 0.000 1.199 356 F HN 0.272 nan 8.300 nan 0.000 0.473 357 R N 1.328 121.984 120.500 0.260 0.000 2.728 357 R HA 0.690 5.029 4.340 -0.001 0.000 0.274 357 R C -2.300 174.108 176.300 0.180 0.000 1.032 357 R CA -0.921 55.169 56.100 -0.017 0.000 0.866 357 R CB 1.472 31.444 30.300 -0.546 0.000 1.263 357 R HN 0.633 nan 8.270 nan 0.000 0.475 358 I N 1.521 122.117 120.570 0.043 0.000 2.530 358 I HA 0.380 4.549 4.170 -0.001 0.000 0.297 358 I C -1.056 175.161 176.117 0.167 0.000 1.011 358 I CA -1.419 60.017 61.300 0.227 0.000 1.107 358 I CB 2.187 40.346 38.000 0.264 0.000 1.285 358 I HN 0.488 nan 8.210 nan 0.000 0.436 359 L N 7.474 128.839 121.223 0.236 0.000 2.318 359 L HA 0.638 4.977 4.340 -0.001 0.000 0.277 359 L C -1.006 175.917 176.870 0.090 0.000 1.008 359 L CA -0.029 54.835 54.840 0.040 0.000 0.846 359 L CB 0.996 42.927 42.059 -0.213 0.000 1.220 359 L HN 0.667 nan 8.230 nan 0.000 0.423 360 M N 5.198 124.833 119.600 0.058 0.000 2.284 360 M HA 0.309 4.788 4.480 -0.001 0.000 0.281 360 M C -1.113 175.248 176.300 0.102 0.000 1.083 360 M CA -0.420 54.959 55.300 0.132 0.000 0.965 360 M CB 1.674 34.449 32.600 0.292 0.000 1.717 360 M HN 0.623 nan 8.290 nan 0.000 0.479 361 c N 2.893 121.539 118.600 0.077 0.000 3.247 361 c HA 0.183 4.752 4.570 -0.001 0.000 0.573 361 c C 0.620 174.776 174.090 0.110 0.000 1.106 361 c CA -0.431 55.937 56.329 0.065 0.000 1.209 361 c CB -2.309 40.216 42.510 0.026 0.000 1.460 361 c HN 0.756 nan 8.230 nan 0.000 0.634 362 T N 2.889 117.550 114.554 0.178 0.000 2.704 362 T HA -0.034 4.315 4.350 -0.001 0.000 0.271 362 T C 0.352 175.153 174.700 0.168 0.000 1.000 362 T CA 0.811 63.049 62.100 0.229 0.000 1.216 362 T CB -0.017 69.073 68.868 0.370 0.000 0.961 362 T HN 0.486 nan 8.240 nan 0.000 0.515 363 K N 2.251 122.735 120.400 0.139 0.000 2.118 363 K HA 0.357 4.676 4.320 -0.001 0.000 0.264 363 K C 0.151 176.834 176.600 0.138 0.000 1.000 363 K CA -0.687 55.669 56.287 0.116 0.000 0.929 363 K CB 0.998 33.547 32.500 0.083 0.000 1.021 363 K HN 0.284 nan 8.250 nan 0.000 0.463 364 V N 3.609 123.600 119.914 0.129 0.000 2.248 364 V HA 0.055 4.175 4.120 -0.001 0.000 0.309 364 V C -0.202 175.946 176.094 0.089 0.000 1.722 364 V CA 0.047 62.432 62.300 0.142 0.000 1.693 364 V CB -1.428 30.481 31.823 0.144 0.000 1.470 364 V HN 0.746 nan 8.190 nan 0.000 0.518 365 T N 0.069 114.675 114.554 0.086 0.000 2.923 365 T HA 0.344 4.694 4.350 -0.001 0.000 0.281 365 T C 1.072 175.799 174.700 0.046 0.000 0.995 365 T CA -0.602 61.525 62.100 0.045 0.000 0.985 365 T CB 2.042 70.936 68.868 0.044 0.000 1.114 365 T HN 0.237 nan 8.240 nan 0.000 0.548 366 M N 0.540 120.137 119.600 -0.005 0.000 2.248 366 M HA -0.070 4.410 4.480 -0.001 0.000 0.265 366 M C 1.117 177.463 176.300 0.076 0.000 1.079 366 M CA 1.442 56.735 55.300 -0.013 0.000 1.150 366 M CB -0.290 32.251 32.600 -0.098 0.000 1.366 366 M HN 0.547 nan 8.290 nan 0.000 0.433 367 D N 0.459 120.873 120.400 0.024 0.000 2.228 367 D HA -0.214 4.425 4.640 -0.001 0.000 0.203 367 D C 1.165 177.483 176.300 0.031 0.000 0.988 367 D CA 1.438 55.439 54.000 0.002 0.000 0.864 367 D CB -0.576 40.210 40.800 -0.022 0.000 0.928 367 D HN 0.423 nan 8.370 nan 0.000 0.469 368 D N -1.145 119.303 120.400 0.080 0.000 2.271 368 D HA -0.008 4.631 4.640 -0.001 0.000 0.206 368 D C 1.507 177.877 176.300 0.118 0.000 0.967 368 D CA -0.022 54.035 54.000 0.095 0.000 0.867 368 D CB -0.066 40.803 40.800 0.116 0.000 0.960 368 D HN 0.159 nan 8.370 nan 0.000 0.509 369 F N 0.643 120.594 119.950 0.002 0.000 2.206 369 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 369 F C 1.592 177.385 175.800 -0.012 0.000 1.090 369 F CA 1.015 59.028 58.000 0.023 0.000 1.323 369 F CB -0.168 38.862 39.000 0.050 0.000 1.028 369 F HN -0.107 nan 8.300 nan 0.000 0.492 370 L N -0.389 120.876 121.223 0.070 0.000 2.027 370 L HA -0.183 4.157 4.340 -0.001 0.000 0.206 370 L C 2.513 179.319 176.870 -0.105 0.000 1.074 370 L CA 1.752 56.506 54.840 -0.144 0.000 0.745 370 L CB -1.189 40.852 42.059 -0.030 0.000 0.898 370 L HN 0.159 nan 8.230 nan 0.000 0.433 371 T N -0.181 114.355 114.554 -0.031 0.000 2.720 371 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 371 T C 1.949 176.689 174.700 0.067 0.000 1.037 371 T CA 1.435 63.548 62.100 0.021 0.000 1.144 371 T CB -0.129 68.750 68.868 0.018 0.000 0.864 371 T HN 0.466 nan 8.240 nan 0.000 0.444 372 A N 0.965 123.746 122.820 -0.064 0.000 1.884 372 A HA -0.263 4.057 4.320 -0.001 0.000 0.219 372 A C 1.929 179.473 177.584 -0.068 0.000 1.197 372 A CA 2.536 54.415 52.037 -0.264 0.000 0.637 372 A CB -1.136 17.393 19.000 -0.786 0.000 0.827 372 A HN 0.633 nan 8.150 nan 0.000 0.450 373 H N -1.890 117.024 119.070 -0.259 0.000 2.290 373 H HA -0.149 4.407 4.556 -0.001 0.000 0.298 373 H C 1.984 177.346 175.328 0.057 0.000 1.087 373 H CA 1.899 57.846 56.048 -0.167 0.000 1.291 373 H CB -0.699 28.773 29.762 -0.483 0.000 1.369 373 H HN 0.872 nan 8.280 nan 0.000 0.492 374 H N 0.455 119.580 119.070 0.092 0.000 2.352 374 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 374 H C 1.895 177.362 175.328 0.231 0.000 1.097 374 H CA 1.619 57.732 56.048 0.109 0.000 1.311 374 H CB 0.306 30.115 29.762 0.079 0.000 1.377 374 H HN 0.176 nan 8.280 nan 0.000 0.504 375 E N 0.461 120.933 120.200 0.454 0.000 2.051 375 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 375 E C 2.382 179.166 176.600 0.307 0.000 0.991 375 E CA 1.346 58.020 56.400 0.458 0.000 0.799 375 E CB -0.475 29.484 29.700 0.432 0.000 0.748 375 E HN 0.616 nan 8.360 nan 0.000 0.449 376 M N 0.023 119.753 119.600 0.218 0.000 2.296 376 M HA -0.057 4.422 4.480 -0.001 0.000 0.265 376 M C 1.894 178.061 176.300 -0.223 0.000 1.064 376 M CA 1.515 56.824 55.300 0.015 0.000 1.109 376 M CB -0.172 32.461 32.600 0.055 0.000 1.396 376 M HN 0.120 nan 8.290 nan 0.000 0.430 377 G N 0.000 108.797 108.800 -0.006 0.000 2.511 377 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 377 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 377 G C 1.192 176.003 174.900 -0.149 0.000 1.218 377 G CA 1.148 46.195 45.100 -0.089 0.000 0.788 377 G HN 0.517 nan 8.290 nan 0.000 0.560 378 H N 0.495 119.563 119.070 -0.003 0.000 2.267 378 H HA -0.130 4.425 4.556 -0.001 0.000 0.291 378 H C 2.740 178.111 175.328 0.071 0.000 1.094 378 H CA 1.659 57.814 56.048 0.179 0.000 1.227 378 H CB -0.374 29.467 29.762 0.131 0.000 1.351 378 H HN 0.161 nan 8.280 nan 0.000 0.483 379 I N 0.915 121.528 120.570 0.072 0.000 2.315 379 I HA -0.264 3.905 4.170 -0.001 0.000 0.251 379 I C 2.523 178.401 176.117 -0.398 0.000 1.125 379 I CA 1.297 62.512 61.300 -0.141 0.000 1.392 379 I CB -0.812 37.076 38.000 -0.186 0.000 1.065 379 I HN 0.275 nan 8.210 nan 0.000 0.424 380 Q N -0.210 119.334 119.800 -0.427 0.000 2.123 380 Q HA -0.186 4.154 4.340 -0.001 0.000 0.199 380 Q C 2.266 178.073 176.000 -0.322 0.000 0.966 380 Q CA 1.350 56.870 55.803 -0.472 0.000 0.845 380 Q CB -0.311 28.063 28.738 -0.608 0.000 0.907 380 Q HN 0.582 nan 8.270 nan 0.000 0.439 381 Y N 0.029 120.076 120.300 -0.422 0.000 2.200 381 Y HA -0.238 4.311 4.550 -0.001 0.000 0.290 381 Y C 1.381 176.756 175.900 -0.876 0.000 1.137 381 Y CA 0.837 58.609 58.100 -0.547 0.000 1.163 381 Y CB 0.251 38.387 38.460 -0.540 0.000 0.988 381 Y HN 0.204 nan 8.280 nan 0.000 0.518 382 D N 0.481 120.627 120.400 -0.424 0.000 2.116 382 D HA -0.263 4.377 4.640 -0.001 0.000 0.193 382 D C 2.136 178.215 176.300 -0.369 0.000 0.998 382 D CA 1.882 55.632 54.000 -0.416 0.000 0.836 382 D CB -0.343 40.509 40.800 0.087 0.000 0.951 382 D HN 0.459 nan 8.370 nan 0.000 0.449 383 M N 0.387 119.664 119.600 -0.537 0.000 2.099 383 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 383 M C 2.408 178.598 176.300 -0.184 0.000 1.067 383 M CA 1.328 56.373 55.300 -0.424 0.000 1.124 383 M CB -0.327 31.916 32.600 -0.594 0.000 1.353 383 M HN -0.039 nan 8.290 nan 0.000 0.410 384 A N 0.299 122.956 122.820 -0.271 0.000 2.024 384 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 384 A C 1.637 179.103 177.584 -0.198 0.000 1.164 384 A CA 1.381 53.263 52.037 -0.258 0.000 0.643 384 A CB -1.055 17.635 19.000 -0.517 0.000 0.806 384 A HN 0.793 nan 8.150 nan 0.000 0.451 385 Y N -4.406 115.870 120.300 -0.040 0.000 2.607 385 Y HA 0.685 5.235 4.550 -0.001 0.000 0.266 385 Y C 1.647 177.554 175.900 0.012 0.000 1.178 385 Y CA -0.047 58.033 58.100 -0.033 0.000 1.226 385 Y CB -0.185 38.258 38.460 -0.027 0.000 1.144 385 Y HN 0.131 nan 8.280 nan 0.000 0.528 386 A N 1.186 124.208 122.820 0.336 0.000 2.178 386 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 386 A C 2.271 179.948 177.584 0.155 0.000 1.157 386 A CA 1.335 53.531 52.037 0.265 0.000 0.689 386 A CB -0.681 18.485 19.000 0.277 0.000 0.787 386 A HN 0.701 nan 8.150 nan 0.000 0.465 387 A N -0.745 122.155 122.820 0.134 0.000 1.902 387 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 387 A C 1.351 178.971 177.584 0.059 0.000 1.181 387 A CA 0.803 52.892 52.037 0.086 0.000 0.623 387 A CB -0.340 18.707 19.000 0.078 0.000 0.818 387 A HN 0.515 nan 8.150 nan 0.000 0.443 388 Q N 0.412 120.247 119.800 0.058 0.000 2.432 388 Q HA 0.189 4.529 4.340 -0.001 0.000 0.264 388 Q C -2.302 173.697 176.000 -0.001 0.000 1.035 388 Q CA -1.809 53.997 55.803 0.005 0.000 0.908 388 Q CB -0.292 28.416 28.738 -0.051 0.000 1.280 388 Q HN 0.343 nan 8.270 nan 0.000 0.455 389 P HA -0.104 nan 4.420 nan 0.000 0.266 389 P C 0.546 177.879 177.300 0.054 0.000 1.195 389 P CA 0.089 63.205 63.100 0.026 0.000 0.768 389 P CB 0.316 32.030 31.700 0.023 0.000 0.838 390 F N 3.462 123.385 119.950 -0.046 0.000 2.106 390 F HA -0.263 4.264 4.527 -0.001 0.000 0.299 390 F C 1.789 177.599 175.800 0.017 0.000 1.082 390 F CA 1.757 59.744 58.000 -0.021 0.000 1.244 390 F CB -0.446 38.536 39.000 -0.029 0.000 0.997 390 F HN 0.160 nan 8.300 nan 0.000 0.486 391 L N -0.412 120.922 121.223 0.185 0.000 2.552 391 L HA -0.114 4.225 4.340 -0.001 0.000 0.227 391 L C 1.073 177.888 176.870 -0.092 0.000 1.146 391 L CA 0.047 54.939 54.840 0.087 0.000 0.858 391 L CB -0.230 41.944 42.059 0.193 0.000 0.969 391 L HN 0.225 nan 8.230 nan 0.000 0.451 392 L N -1.180 119.955 121.223 -0.147 0.000 2.766 392 L HA 0.170 4.509 4.340 -0.001 0.000 0.242 392 L C 0.841 177.477 176.870 -0.391 0.000 1.136 392 L CA 0.366 55.082 54.840 -0.206 0.000 0.933 392 L CB 0.070 42.048 42.059 -0.135 0.000 1.241 392 L HN -0.022 nan 8.230 nan 0.000 0.522 393 R N 1.637 121.845 120.500 -0.487 0.000 2.351 393 R HA 0.319 4.658 4.340 -0.001 0.000 0.321 393 R C -0.341 175.378 176.300 -0.968 0.000 1.182 393 R CA 0.084 55.652 56.100 -0.886 0.000 1.011 393 R CB -0.218 29.789 30.300 -0.488 0.000 1.048 393 R HN 0.095 nan 8.270 nan 0.000 0.490 394 N N 0.346 118.303 118.700 -1.238 0.000 4.104 394 N HA 0.057 4.796 4.740 -0.001 0.000 0.214 394 N C -0.917 174.398 175.510 -0.325 0.000 1.270 394 N CA -0.329 52.398 53.050 -0.539 0.000 0.894 394 N CB 1.304 39.617 38.487 -0.289 0.000 1.495 394 N HN 0.535 nan 8.380 nan 0.000 0.506 395 G N 0.480 109.249 108.800 -0.052 0.000 2.484 395 G HA2 0.371 4.331 3.960 -0.001 0.000 0.235 395 G HA3 0.371 4.331 3.960 -0.001 0.000 0.235 395 G C 1.233 176.102 174.900 -0.052 0.000 1.282 395 G CA 0.454 45.522 45.100 -0.054 0.000 0.857 395 G HN 0.739 nan 8.290 nan 0.000 0.571 396 A N 2.370 125.098 122.820 -0.154 0.000 1.915 396 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 396 A C 1.423 178.824 177.584 -0.306 0.000 1.198 396 A CA 2.387 54.135 52.037 -0.481 0.000 0.647 396 A CB -0.602 17.553 19.000 -1.408 0.000 0.825 396 A HN 1.113 nan 8.150 nan 0.000 0.456 397 N N -2.950 115.599 118.700 -0.252 0.000 3.157 397 N HA 0.261 5.001 4.740 -0.001 0.000 0.291 397 N C 0.216 175.676 175.510 -0.083 0.000 1.515 397 N CA -0.064 52.856 53.050 -0.217 0.000 0.807 397 N CB 0.101 38.285 38.487 -0.506 0.000 1.672 397 N HN 0.283 nan 8.380 nan 0.000 0.592 398 E N -1.185 118.877 120.200 -0.230 0.000 2.118 398 E HA -0.129 4.221 4.350 -0.001 0.000 0.195 398 E C 1.479 178.124 176.600 0.075 0.000 0.992 398 E CA 1.529 57.873 56.400 -0.092 0.000 0.804 398 E CB -0.769 28.818 29.700 -0.188 0.000 0.741 398 E HN 0.677 nan 8.360 nan 0.000 0.458 399 G N 0.350 109.245 108.800 0.158 0.000 2.408 399 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 399 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 399 G C 1.158 176.311 174.900 0.421 0.000 1.150 399 G CA 0.554 45.866 45.100 0.354 0.000 0.776 399 G HN 0.178 nan 8.290 nan 0.000 0.542 400 F N 0.680 120.745 119.950 0.190 0.000 2.120 400 F HA -0.109 4.417 4.527 -0.001 0.000 0.300 400 F C 2.628 178.611 175.800 0.304 0.000 1.095 400 F CA 1.522 59.663 58.000 0.235 0.000 1.249 400 F CB -0.421 38.703 39.000 0.206 0.000 0.995 400 F HN 0.184 nan 8.300 nan 0.000 0.480 401 H N -0.161 119.171 119.070 0.437 0.000 2.357 401 H HA -0.084 4.472 4.556 -0.001 0.000 0.301 401 H C 2.213 177.577 175.328 0.060 0.000 1.082 401 H CA 1.480 57.731 56.048 0.339 0.000 1.342 401 H CB 0.065 30.023 29.762 0.327 0.000 1.389 401 H HN 0.201 nan 8.280 nan 0.000 0.511 402 E N 0.470 120.894 120.200 0.373 0.000 2.072 402 E HA -0.088 4.261 4.350 -0.001 0.000 0.191 402 E C 2.367 179.076 176.600 0.182 0.000 0.985 402 E CA 0.813 57.423 56.400 0.351 0.000 0.801 402 E CB -0.251 29.674 29.700 0.375 0.000 0.750 402 E HN 0.418 nan 8.360 nan 0.000 0.452 403 A N 1.055 123.977 122.820 0.171 0.000 1.883 403 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 403 A C 2.627 180.235 177.584 0.038 0.000 1.186 403 A CA 1.760 53.878 52.037 0.135 0.000 0.624 403 A CB -0.849 18.296 19.000 0.241 0.000 0.822 403 A HN 0.144 nan 8.150 nan 0.000 0.444 404 V N 0.055 119.931 119.914 -0.065 0.000 2.332 404 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 404 V C 2.799 178.752 176.094 -0.235 0.000 1.055 404 V CA 2.033 64.204 62.300 -0.215 0.000 1.038 404 V CB -1.571 30.048 31.823 -0.339 0.000 0.651 404 V HN 0.642 nan 8.190 nan 0.000 0.450 405 G N -0.554 107.972 108.800 -0.456 0.000 2.440 405 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 405 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 405 G C 1.497 176.318 174.900 -0.132 0.000 1.154 405 G CA 0.689 45.391 45.100 -0.664 0.000 0.767 405 G HN 0.489 nan 8.290 nan 0.000 0.552 406 E N 0.375 120.598 120.200 0.038 0.000 2.106 406 E HA -0.056 4.293 4.350 -0.001 0.000 0.192 406 E C 2.658 179.211 176.600 -0.079 0.000 0.984 406 E CA 0.270 56.706 56.400 0.059 0.000 0.806 406 E CB -0.167 29.543 29.700 0.017 0.000 0.750 406 E HN 0.310 nan 8.360 nan 0.000 0.458 407 I N 1.128 121.651 120.570 -0.078 0.000 2.264 407 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 407 I C 2.193 178.265 176.117 -0.074 0.000 1.111 407 I CA 1.154 62.409 61.300 -0.075 0.000 1.382 407 I CB -0.923 37.062 38.000 -0.024 0.000 1.060 407 I HN 0.119 nan 8.210 nan 0.000 0.418 408 M N -0.335 119.219 119.600 -0.077 0.000 2.064 408 M HA -0.106 4.373 4.480 -0.001 0.000 0.260 408 M C 2.488 178.586 176.300 -0.338 0.000 1.073 408 M CA 1.353 56.525 55.300 -0.214 0.000 1.124 408 M CB -1.773 30.750 32.600 -0.128 0.000 1.326 408 M HN 0.113 nan 8.290 nan 0.000 0.410 409 S N 0.606 116.190 115.700 -0.194 0.000 2.441 409 S HA -0.127 4.342 4.470 -0.001 0.000 0.242 409 S C 1.788 176.277 174.600 -0.186 0.000 1.018 409 S CA 0.891 58.973 58.200 -0.196 0.000 0.988 409 S CB -0.121 63.042 63.200 -0.061 0.000 0.778 409 S HN 0.209 nan 8.310 nan 0.000 0.498 410 L N 0.840 121.970 121.223 -0.154 0.000 2.071 410 L HA 0.142 4.481 4.340 -0.001 0.000 0.201 410 L C 2.544 179.383 176.870 -0.052 0.000 1.076 410 L CA 1.777 56.580 54.840 -0.062 0.000 0.755 410 L CB -1.411 40.595 42.059 -0.089 0.000 0.915 410 L HN 0.194 nan 8.230 nan 0.000 0.445 411 S N -0.089 115.538 115.700 -0.122 0.000 2.383 411 S HA -0.185 4.284 4.470 -0.001 0.000 0.229 411 S C 2.023 176.426 174.600 -0.329 0.000 1.030 411 S CA 1.117 59.241 58.200 -0.126 0.000 1.002 411 S CB -0.503 62.704 63.200 0.010 0.000 0.829 411 S HN 0.523 nan 8.310 nan 0.000 0.467 412 A N 0.951 123.423 122.820 -0.580 0.000 2.015 412 A HA 0.309 4.628 4.320 -0.001 0.000 0.219 412 A C 2.124 179.605 177.584 -0.171 0.000 1.163 412 A CA 1.336 52.898 52.037 -0.792 0.000 0.646 412 A CB -0.574 17.764 19.000 -1.103 0.000 0.806 412 A HN 0.511 nan 8.150 nan 0.000 0.448 413 A N -0.192 122.584 122.820 -0.072 0.000 2.238 413 A HA 0.286 4.605 4.320 -0.001 0.000 0.210 413 A C 1.370 178.980 177.584 0.043 0.000 1.179 413 A CA 0.861 52.953 52.037 0.091 0.000 0.827 413 A CB -0.973 18.140 19.000 0.188 0.000 0.856 413 A HN 0.581 nan 8.150 nan 0.000 0.488 414 T N -1.878 112.594 114.554 -0.136 0.000 2.928 414 T HA 0.253 4.603 4.350 -0.001 0.000 0.305 414 T C -1.577 172.907 174.700 -0.360 0.000 1.035 414 T CA -0.980 60.820 62.100 -0.501 0.000 1.145 414 T CB 0.819 69.499 68.868 -0.313 0.000 0.963 414 T HN 0.011 nan 8.240 nan 0.000 0.545 415 P HA -0.143 nan 4.420 nan 0.000 0.217 415 P C 1.554 178.678 177.300 -0.293 0.000 1.151 415 P CA 1.156 63.997 63.100 -0.431 0.000 0.849 415 P CB 0.083 31.505 31.700 -0.463 0.000 0.787 416 K N -0.990 119.293 120.400 -0.196 0.000 2.001 416 K HA -0.282 4.037 4.320 -0.001 0.000 0.214 416 K C 2.229 178.803 176.600 -0.043 0.000 1.050 416 K CA 1.885 58.118 56.287 -0.089 0.000 0.934 416 K CB -0.695 31.772 32.500 -0.055 0.000 0.718 416 K HN 0.107 nan 8.250 nan 0.000 0.443 417 H N -0.025 118.985 119.070 -0.100 0.000 2.321 417 H HA -0.102 4.454 4.556 -0.001 0.000 0.300 417 H C 1.830 177.132 175.328 -0.043 0.000 1.087 417 H CA 1.872 57.903 56.048 -0.029 0.000 1.319 417 H CB -0.139 29.624 29.762 0.001 0.000 1.379 417 H HN 0.113 nan 8.280 nan 0.000 0.501 418 L N 1.127 122.325 121.223 -0.042 0.000 2.034 418 L HA -0.259 4.080 4.340 -0.001 0.000 0.217 418 L C 2.182 178.939 176.870 -0.189 0.000 1.077 418 L CA 1.924 56.664 54.840 -0.168 0.000 0.769 418 L CB -1.111 40.791 42.059 -0.262 0.000 0.890 418 L HN 0.434 nan 8.230 nan 0.000 0.435 419 K N -0.948 119.347 120.400 -0.176 0.000 1.984 419 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 419 K C 2.203 178.748 176.600 -0.092 0.000 1.046 419 K CA 1.489 57.704 56.287 -0.120 0.000 0.934 419 K CB -0.484 31.968 32.500 -0.079 0.000 0.717 419 K HN 0.221 nan 8.250 nan 0.000 0.438 420 S N 1.472 117.107 115.700 -0.107 0.000 2.393 420 S HA -0.240 4.230 4.470 -0.001 0.000 0.235 420 S C 2.035 176.576 174.600 -0.098 0.000 1.061 420 S CA 1.704 59.838 58.200 -0.109 0.000 1.129 420 S CB -0.484 62.620 63.200 -0.161 0.000 1.011 420 S HN 0.248 nan 8.310 nan 0.000 0.436 421 I N 0.511 120.993 120.570 -0.146 0.000 2.069 421 I HA -0.090 4.080 4.170 -0.001 0.000 0.237 421 I C 2.179 178.341 176.117 0.075 0.000 1.053 421 I CA 1.529 62.830 61.300 0.002 0.000 1.311 421 I CB -0.638 37.412 38.000 0.083 0.000 1.030 421 I HN 0.660 nan 8.210 nan 0.000 0.398 422 G N -0.842 107.972 108.800 0.023 0.000 2.507 422 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.205 422 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.205 422 G C 0.582 175.462 174.900 -0.033 0.000 0.996 422 G CA -0.358 44.764 45.100 0.037 0.000 0.776 422 G HN 0.217 nan 8.290 nan 0.000 0.532 423 L N -0.302 120.831 121.223 -0.149 0.000 2.591 423 L HA 0.488 4.828 4.340 -0.001 0.000 0.228 423 L C 0.368 177.094 176.870 -0.241 0.000 1.133 423 L CA 0.441 55.097 54.840 -0.306 0.000 0.880 423 L CB 0.309 42.052 42.059 -0.527 0.000 1.033 423 L HN 0.186 nan 8.230 nan 0.000 0.450 424 L N -1.117 120.000 121.223 -0.177 0.000 2.436 424 L HA 0.288 4.627 4.340 -0.001 0.000 0.268 424 L C 0.170 177.008 176.870 -0.053 0.000 0.974 424 L CA -0.091 54.654 54.840 -0.158 0.000 0.826 424 L CB 2.064 43.938 42.059 -0.309 0.000 1.291 424 L HN -0.235 nan 8.230 nan 0.000 0.406 425 S N 5.772 121.487 115.700 0.026 0.000 2.626 425 S HA 0.060 4.530 4.470 -0.001 0.000 0.303 425 S C -1.296 173.348 174.600 0.073 0.000 1.256 425 S CA -0.482 57.753 58.200 0.059 0.000 1.069 425 S CB 0.445 63.701 63.200 0.092 0.000 0.807 425 S HN 0.562 nan 8.310 nan 0.000 0.500 426 P HA -0.168 nan 4.420 nan 0.000 0.219 426 P C 0.592 177.927 177.300 0.059 0.000 1.145 426 P CA 1.285 64.408 63.100 0.039 0.000 0.813 426 P CB 0.041 31.755 31.700 0.024 0.000 0.771 427 D N -1.472 118.968 120.400 0.067 0.000 2.249 427 D HA -0.038 4.601 4.640 -0.001 0.000 0.205 427 D C 0.749 177.092 176.300 0.072 0.000 0.962 427 D CA -0.097 53.933 54.000 0.050 0.000 0.860 427 D CB -0.659 40.154 40.800 0.022 0.000 0.955 427 D HN 0.139 nan 8.370 nan 0.000 0.505 428 F N 3.427 123.360 119.950 -0.027 0.000 2.439 428 F HA -0.193 4.333 4.527 -0.001 0.000 0.417 428 F C 0.748 176.530 175.800 -0.031 0.000 0.957 428 F CA 0.051 58.033 58.000 -0.030 0.000 1.146 428 F CB 0.479 39.457 39.000 -0.037 0.000 0.911 428 F HN -0.115 nan 8.300 nan 0.000 0.531 429 Q N 6.409 125.887 119.800 -0.537 0.000 2.569 429 Q HA 0.187 4.526 4.340 -0.001 0.000 0.226 429 Q C -0.764 175.033 176.000 -0.340 0.000 1.136 429 Q CA -0.383 55.233 55.803 -0.312 0.000 0.947 429 Q CB 0.052 28.637 28.738 -0.255 0.000 1.218 429 Q HN 0.717 nan 8.270 nan 0.000 0.547 430 E N 2.900 123.080 120.200 -0.033 0.000 2.271 430 E HA 0.053 4.403 4.350 -0.001 0.000 0.255 430 E C -0.640 175.957 176.600 -0.005 0.000 1.177 430 E CA 0.292 56.752 56.400 0.100 0.000 0.946 430 E CB 0.050 29.857 29.700 0.179 0.000 1.009 430 E HN 0.672 nan 8.360 nan 0.000 0.451 431 D N 1.349 121.719 120.400 -0.050 0.000 2.525 431 D HA 0.077 4.716 4.640 -0.001 0.000 0.249 431 D C 0.566 176.832 176.300 -0.056 0.000 1.072 431 D CA -0.904 53.055 54.000 -0.068 0.000 1.067 431 D CB 0.474 41.200 40.800 -0.124 0.000 1.282 431 D HN 0.088 nan 8.370 nan 0.000 0.587 432 N N -0.020 118.633 118.700 -0.079 0.000 2.348 432 N HA -0.190 4.550 4.740 -0.001 0.000 0.185 432 N C 0.855 176.262 175.510 -0.172 0.000 1.019 432 N CA 1.172 54.171 53.050 -0.085 0.000 0.880 432 N CB -0.449 37.999 38.487 -0.064 0.000 0.965 432 N HN 0.580 nan 8.380 nan 0.000 0.437 433 E N 0.117 120.141 120.200 -0.293 0.000 2.060 433 E HA -0.092 4.258 4.350 -0.001 0.000 0.189 433 E C 1.930 178.469 176.600 -0.102 0.000 0.974 433 E CA 1.583 57.661 56.400 -0.537 0.000 0.808 433 E CB -0.410 28.776 29.700 -0.856 0.000 0.768 433 E HN 0.635 nan 8.360 nan 0.000 0.453 434 T N 0.188 114.736 114.554 -0.010 0.000 2.708 434 T HA -0.243 4.106 4.350 -0.001 0.000 0.266 434 T C 1.991 176.809 174.700 0.197 0.000 1.037 434 T CA 1.604 63.806 62.100 0.170 0.000 1.146 434 T CB -0.339 68.682 68.868 0.256 0.000 0.865 434 T HN 0.186 nan 8.240 nan 0.000 0.435 435 E N 0.334 120.613 120.200 0.132 0.000 2.097 435 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 435 E C 2.199 178.851 176.600 0.087 0.000 1.000 435 E CA 1.443 57.928 56.400 0.143 0.000 0.804 435 E CB -0.172 29.588 29.700 0.100 0.000 0.740 435 E HN 0.477 nan 8.360 nan 0.000 0.454 436 I N 1.662 122.224 120.570 -0.013 0.000 2.202 436 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 436 I C 2.067 178.161 176.117 -0.038 0.000 1.091 436 I CA 0.982 62.192 61.300 -0.151 0.000 1.368 436 I CB -1.400 36.325 38.000 -0.458 0.000 1.058 436 I HN 0.209 nan 8.210 nan 0.000 0.410 437 N N 1.082 119.863 118.700 0.134 0.000 2.021 437 N HA -0.275 4.464 4.740 -0.001 0.000 0.198 437 N C 1.844 177.519 175.510 0.275 0.000 1.041 437 N CA 1.552 54.758 53.050 0.260 0.000 0.862 437 N CB -0.895 37.803 38.487 0.351 0.000 1.048 437 N HN 0.328 nan 8.380 nan 0.000 0.427 438 F N 0.890 120.906 119.950 0.109 0.000 2.171 438 F HA -0.079 4.447 4.527 -0.001 0.000 0.300 438 F C 1.989 177.838 175.800 0.082 0.000 1.090 438 F CA 0.741 58.778 58.000 0.060 0.000 1.293 438 F CB -0.238 38.783 39.000 0.035 0.000 1.013 438 F HN -0.055 nan 8.300 nan 0.000 0.486 439 L N 0.046 121.225 121.223 -0.074 0.000 2.044 439 L HA -0.132 4.207 4.340 -0.001 0.000 0.205 439 L C 2.411 179.325 176.870 0.074 0.000 1.075 439 L CA 1.265 56.032 54.840 -0.122 0.000 0.747 439 L CB -1.310 40.693 42.059 -0.094 0.000 0.903 439 L HN 0.246 nan 8.230 nan 0.000 0.435 440 L N -0.050 121.220 121.223 0.078 0.000 2.043 440 L HA -0.297 4.042 4.340 -0.001 0.000 0.212 440 L C 2.491 179.492 176.870 0.217 0.000 1.075 440 L CA 2.106 57.044 54.840 0.164 0.000 0.752 440 L CB -0.668 41.484 42.059 0.155 0.000 0.891 440 L HN 0.427 nan 8.230 nan 0.000 0.432 441 K N -0.734 119.771 120.400 0.175 0.000 1.985 441 K HA -0.220 4.100 4.320 -0.001 0.000 0.210 441 K C 2.042 178.637 176.600 -0.009 0.000 1.047 441 K CA 1.469 57.786 56.287 0.051 0.000 0.932 441 K CB -0.074 32.228 32.500 -0.330 0.000 0.716 441 K HN 0.296 nan 8.250 nan 0.000 0.439 442 Q N 0.128 119.853 119.800 -0.125 0.000 2.152 442 Q HA -0.172 4.167 4.340 -0.001 0.000 0.206 442 Q C 2.078 178.230 176.000 0.254 0.000 0.985 442 Q CA 1.687 57.496 55.803 0.011 0.000 0.863 442 Q CB -0.411 28.277 28.738 -0.084 0.000 0.904 442 Q HN 0.486 nan 8.270 nan 0.000 0.422 443 A N 0.596 123.546 122.820 0.216 0.000 1.877 443 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 443 A C 2.076 179.633 177.584 -0.046 0.000 1.186 443 A CA 1.151 53.077 52.037 -0.185 0.000 0.620 443 A CB -0.605 18.215 19.000 -0.300 0.000 0.822 443 A HN 0.290 nan 8.150 nan 0.000 0.443 444 L N 0.063 121.350 121.223 0.108 0.000 2.137 444 L HA -0.183 4.157 4.340 -0.001 0.000 0.213 444 L C 2.550 179.502 176.870 0.137 0.000 1.085 444 L CA 2.419 57.382 54.840 0.205 0.000 0.760 444 L CB -1.208 41.032 42.059 0.302 0.000 0.893 444 L HN 0.463 nan 8.230 nan 0.000 0.434 445 T N -1.402 113.201 114.554 0.083 0.000 2.904 445 T HA 0.111 4.460 4.350 -0.001 0.000 0.243 445 T C 1.918 176.671 174.700 0.088 0.000 1.024 445 T CA 0.837 62.983 62.100 0.076 0.000 1.158 445 T CB 0.007 68.840 68.868 -0.058 0.000 0.867 445 T HN 0.116 nan 8.240 nan 0.000 0.429 446 I N 1.357 121.958 120.570 0.051 0.000 2.133 446 I HA -0.104 4.065 4.170 -0.001 0.000 0.238 446 I C 2.499 178.585 176.117 -0.051 0.000 1.074 446 I CA 1.009 62.349 61.300 0.067 0.000 1.342 446 I CB -0.637 37.504 38.000 0.234 0.000 1.053 446 I HN 0.031 nan 8.210 nan 0.000 0.404 447 V N 1.484 121.277 119.914 -0.201 0.000 2.490 447 V HA -0.165 3.955 4.120 -0.001 0.000 0.250 447 V C 2.614 178.553 176.094 -0.258 0.000 1.061 447 V CA 1.976 64.105 62.300 -0.286 0.000 1.064 447 V CB -1.504 30.049 31.823 -0.451 0.000 0.670 447 V HN 0.598 nan 8.190 nan 0.000 0.461 448 G N -0.917 107.706 108.800 -0.295 0.000 2.418 448 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 448 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 448 G C 1.755 176.356 174.900 -0.499 0.000 1.158 448 G CA 1.529 46.263 45.100 -0.611 0.000 0.771 448 G HN 0.431 nan 8.290 nan 0.000 0.545 449 T N 0.327 114.724 114.554 -0.262 0.000 2.904 449 T HA 0.074 4.423 4.350 -0.001 0.000 0.267 449 T C 2.481 177.120 174.700 -0.102 0.000 1.059 449 T CA 0.624 62.571 62.100 -0.255 0.000 1.137 449 T CB -0.224 68.490 68.868 -0.256 0.000 0.879 449 T HN 0.196 nan 8.240 nan 0.000 0.467 450 L N 1.121 122.279 121.223 -0.108 0.000 1.976 450 L HA -0.148 4.192 4.340 -0.001 0.000 0.223 450 L C -0.467 176.497 176.870 0.157 0.000 1.081 450 L CA 2.025 56.875 54.840 0.017 0.000 0.784 450 L CB -1.611 40.403 42.059 -0.075 0.000 0.896 450 L HN 0.258 nan 8.230 nan 0.000 0.438 451 P HA -0.226 nan 4.420 nan 0.000 0.214 451 P C 1.578 178.878 177.300 0.000 0.000 1.163 451 P CA 1.360 64.466 63.100 0.011 0.000 0.883 451 P CB -0.151 31.249 31.700 -0.500 0.000 0.788 452 F N 0.592 120.441 119.950 -0.169 0.000 2.043 452 F HA -0.289 4.237 4.527 -0.001 0.000 0.297 452 F C 1.989 177.738 175.800 -0.084 0.000 1.118 452 F CA 2.397 60.329 58.000 -0.114 0.000 1.202 452 F CB -1.359 37.577 39.000 -0.106 0.000 0.965 452 F HN -0.114 nan 8.300 nan 0.000 0.482 453 T N -0.404 114.328 114.554 0.296 0.000 2.708 453 T HA -0.278 4.072 4.350 -0.001 0.000 0.266 453 T C 1.606 176.289 174.700 -0.029 0.000 1.037 453 T CA 1.719 63.941 62.100 0.203 0.000 1.146 453 T CB -0.970 67.933 68.868 0.058 0.000 0.865 453 T HN 0.585 nan 8.240 nan 0.000 0.435 454 Y N 1.274 121.447 120.300 -0.211 0.000 2.128 454 Y HA -0.180 4.370 4.550 -0.001 0.000 0.284 454 Y C 2.554 178.177 175.900 -0.462 0.000 1.154 454 Y CA 1.526 59.337 58.100 -0.483 0.000 1.149 454 Y CB -0.277 37.694 38.460 -0.814 0.000 0.976 454 Y HN 0.033 nan 8.280 nan 0.000 0.505 455 M N 0.126 119.415 119.600 -0.517 0.000 2.065 455 M HA -0.193 4.287 4.480 -0.001 0.000 0.259 455 M C 2.248 178.207 176.300 -0.569 0.000 1.069 455 M CA 1.637 56.595 55.300 -0.571 0.000 1.110 455 M CB -0.993 31.355 32.600 -0.420 0.000 1.328 455 M HN 0.546 nan 8.290 nan 0.000 0.405 456 L N 1.406 122.309 121.223 -0.534 0.000 1.951 456 L HA -0.262 4.077 4.340 -0.001 0.000 0.222 456 L C 2.175 178.928 176.870 -0.195 0.000 1.078 456 L CA 2.174 56.806 54.840 -0.346 0.000 0.778 456 L CB -1.706 40.189 42.059 -0.273 0.000 0.893 456 L HN 0.370 nan 8.230 nan 0.000 0.436 457 E N -0.212 119.799 120.200 -0.315 0.000 2.209 457 E HA -0.261 4.088 4.350 -0.001 0.000 0.196 457 E C 2.099 178.225 176.600 -0.790 0.000 0.993 457 E CA 1.238 57.291 56.400 -0.578 0.000 0.819 457 E CB -0.001 29.158 29.700 -0.901 0.000 0.745 457 E HN 0.445 nan 8.360 nan 0.000 0.477 458 K N 0.168 120.160 120.400 -0.681 0.000 1.973 458 K HA -0.170 4.150 4.320 -0.001 0.000 0.210 458 K C 1.770 178.304 176.600 -0.110 0.000 1.045 458 K CA 1.469 57.517 56.287 -0.399 0.000 0.937 458 K CB -0.764 31.395 32.500 -0.568 0.000 0.721 458 K HN 0.118 nan 8.250 nan 0.000 0.438 459 W N 1.603 122.747 121.300 -0.260 0.000 2.290 459 W HA -0.299 4.361 4.660 -0.000 0.000 0.311 459 W C 2.082 178.495 176.519 -0.176 0.000 1.238 459 W CA 2.545 59.797 57.345 -0.155 0.000 1.255 459 W CB -0.147 29.289 29.460 -0.041 0.000 1.145 459 W HN 0.080 nan 8.180 nan 0.000 0.506 460 R N -1.039 119.462 120.500 0.002 0.000 2.057 460 R HA -0.177 4.162 4.340 -0.001 0.000 0.229 460 R C 2.149 178.307 176.300 -0.236 0.000 1.136 460 R CA 1.879 57.864 56.100 -0.193 0.000 0.952 460 R CB -1.092 29.329 30.300 0.202 0.000 0.848 460 R HN 0.183 nan 8.270 nan 0.000 0.430 461 W N 0.834 122.146 121.300 0.020 0.000 2.321 461 W HA -0.181 4.479 4.660 -0.001 0.000 0.306 461 W C 2.070 178.586 176.519 -0.004 0.000 1.217 461 W CA 1.009 58.447 57.345 0.156 0.000 1.257 461 W CB -0.763 28.752 29.460 0.091 0.000 1.145 461 W HN 0.185 nan 8.180 nan 0.000 0.509 462 M N -0.510 119.132 119.600 0.071 0.000 2.086 462 M HA -0.158 4.322 4.480 -0.001 0.000 0.261 462 M C 1.280 177.424 176.300 -0.260 0.000 1.067 462 M CA 1.166 56.414 55.300 -0.086 0.000 1.116 462 M CB -0.921 31.594 32.600 -0.141 0.000 1.348 462 M HN -0.386 nan 8.290 nan 0.000 0.407 463 V N 0.645 120.170 119.914 -0.648 0.000 3.297 463 V HA -0.076 4.043 4.120 -0.001 0.000 0.357 463 V C 0.571 176.276 176.094 -0.648 0.000 1.238 463 V CA 1.140 62.950 62.300 -0.817 0.000 1.454 463 V CB -1.751 29.099 31.823 -1.621 0.000 1.159 463 V HN 0.401 nan 8.190 nan 0.000 0.435 464 F N -1.097 118.786 119.950 -0.110 0.000 2.072 464 F HA 0.166 4.693 4.527 -0.001 0.000 0.284 464 F C 1.863 177.641 175.800 -0.035 0.000 0.941 464 F CA -0.440 57.528 58.000 -0.053 0.000 1.151 464 F CB 0.361 39.352 39.000 -0.015 0.000 1.308 464 F HN -0.120 nan 8.300 nan 0.000 0.677 465 K N 1.259 121.763 120.400 0.173 0.000 2.574 465 K HA 0.069 4.389 4.320 -0.001 0.000 0.193 465 K C 1.153 177.786 176.600 0.054 0.000 1.035 465 K CA 0.846 57.183 56.287 0.084 0.000 0.982 465 K CB -0.499 32.035 32.500 0.057 0.000 0.795 465 K HN 0.457 nan 8.250 nan 0.000 0.491 466 G N 2.500 111.327 108.800 0.044 0.000 2.283 466 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.280 466 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.280 466 G C 0.266 175.182 174.900 0.028 0.000 1.029 466 G CA 0.454 45.575 45.100 0.035 0.000 0.840 466 G HN 0.519 nan 8.290 nan 0.000 0.505 467 E N -0.925 119.277 120.200 0.002 0.000 2.516 467 E HA 0.175 4.525 4.350 -0.001 0.000 0.199 467 E C 0.803 177.414 176.600 0.019 0.000 1.069 467 E CA 0.362 56.770 56.400 0.014 0.000 0.876 467 E CB 0.250 29.957 29.700 0.012 0.000 0.843 467 E HN 0.667 nan 8.360 nan 0.000 0.530 468 I N 1.746 122.323 120.570 0.012 0.000 2.497 468 I HA 0.246 4.415 4.170 -0.001 0.000 0.284 468 I C -2.558 173.696 176.117 0.227 0.000 1.060 468 I CA -2.437 58.904 61.300 0.069 0.000 1.071 468 I CB 2.011 39.955 38.000 -0.094 0.000 1.216 468 I HN -0.237 nan 8.210 nan 0.000 0.442 469 P HA 0.273 nan 4.420 nan 0.000 0.276 469 P C 0.217 177.643 177.300 0.210 0.000 1.244 469 P CA -0.637 62.577 63.100 0.190 0.000 0.801 469 P CB 0.867 32.636 31.700 0.113 0.000 1.006 470 K N 1.037 121.397 120.400 -0.068 0.000 2.211 470 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 470 K C 0.805 177.289 176.600 -0.193 0.000 1.047 470 K CA 1.633 57.634 56.287 -0.477 0.000 0.935 470 K CB -0.427 31.786 32.500 -0.478 0.000 0.728 470 K HN 0.610 nan 8.250 nan 0.000 0.452 471 D N -0.073 120.324 120.400 -0.004 0.000 2.328 471 D HA -0.069 4.570 4.640 -0.001 0.000 0.226 471 D C 1.029 177.421 176.300 0.154 0.000 1.066 471 D CA 0.411 54.445 54.000 0.056 0.000 0.861 471 D CB 0.278 41.102 40.800 0.040 0.000 0.912 471 D HN 0.219 nan 8.370 nan 0.000 0.521 472 Q N -1.761 118.191 119.800 0.252 0.000 2.143 472 Q HA 0.124 4.464 4.340 -0.001 0.000 0.242 472 Q C 0.608 176.881 176.000 0.455 0.000 0.790 472 Q CA -0.593 55.394 55.803 0.306 0.000 0.954 472 Q CB 0.177 29.066 28.738 0.251 0.000 1.155 472 Q HN 0.037 nan 8.270 nan 0.000 0.474 473 W N 1.255 122.692 121.300 0.229 0.000 2.207 473 W HA -0.338 4.321 4.660 -0.001 0.000 0.335 473 W C 1.760 178.538 176.519 0.433 0.000 1.370 473 W CA 1.756 59.317 57.345 0.359 0.000 1.396 473 W CB -0.334 29.293 29.460 0.279 0.000 1.095 473 W HN 0.256 nan 8.180 nan 0.000 0.490 474 M N -1.396 118.503 119.600 0.499 0.000 2.398 474 M HA -0.020 4.459 4.480 -0.001 0.000 0.261 474 M C 2.003 178.578 176.300 0.459 0.000 1.125 474 M CA 1.192 56.715 55.300 0.371 0.000 1.183 474 M CB -1.783 31.047 32.600 0.383 0.000 1.322 474 M HN -0.052 nan 8.290 nan 0.000 0.467 475 K N 0.498 121.148 120.400 0.416 0.000 2.097 475 K HA -0.251 4.068 4.320 -0.001 0.000 0.214 475 K C 2.143 178.964 176.600 0.368 0.000 1.052 475 K CA 1.587 58.096 56.287 0.370 0.000 0.932 475 K CB 0.019 32.689 32.500 0.283 0.000 0.716 475 K HN 0.036 nan 8.250 nan 0.000 0.455 476 K N 0.258 120.881 120.400 0.372 0.000 2.076 476 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 476 K C 1.842 178.644 176.600 0.337 0.000 1.051 476 K CA 0.924 57.414 56.287 0.337 0.000 0.949 476 K CB -0.512 32.186 32.500 0.331 0.000 0.726 476 K HN 0.439 nan 8.250 nan 0.000 0.443 477 W N 0.667 122.020 121.300 0.088 0.000 2.315 477 W HA -0.275 4.385 4.660 -0.001 0.000 0.323 477 W C 1.462 177.816 176.519 -0.275 0.000 1.233 477 W CA 1.564 58.706 57.345 -0.339 0.000 1.267 477 W CB -0.986 27.937 29.460 -0.894 0.000 1.160 477 W HN 0.119 nan 8.180 nan 0.000 0.474 478 W N 0.808 122.223 121.300 0.192 0.000 2.392 478 W HA -0.153 4.507 4.660 -0.001 0.000 0.279 478 W C 2.482 179.024 176.519 0.038 0.000 1.225 478 W CA 1.338 58.729 57.345 0.076 0.000 1.233 478 W CB -0.724 28.855 29.460 0.198 0.000 1.122 478 W HN 0.039 nan 8.180 nan 0.000 0.561 479 E N 0.207 120.575 120.200 0.279 0.000 2.085 479 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 479 E C 2.195 178.871 176.600 0.126 0.000 0.994 479 E CA 2.007 58.530 56.400 0.204 0.000 0.801 479 E CB -0.316 29.501 29.700 0.195 0.000 0.743 479 E HN 0.280 nan 8.360 nan 0.000 0.453 480 M N 0.046 119.659 119.600 0.023 0.000 2.254 480 M HA -0.039 4.440 4.480 -0.001 0.000 0.265 480 M C 1.838 178.060 176.300 -0.129 0.000 1.066 480 M CA 0.914 56.182 55.300 -0.054 0.000 1.123 480 M CB -0.249 32.271 32.600 -0.134 0.000 1.388 480 M HN -0.105 nan 8.290 nan 0.000 0.425 481 K N 1.466 121.722 120.400 -0.240 0.000 2.002 481 K HA -0.076 4.243 4.320 -0.001 0.000 0.209 481 K C 2.100 178.716 176.600 0.026 0.000 1.048 481 K CA 1.484 57.673 56.287 -0.164 0.000 0.930 481 K CB -0.446 31.988 32.500 -0.110 0.000 0.714 481 K HN 0.419 nan 8.250 nan 0.000 0.438 482 R N 0.756 121.327 120.500 0.118 0.000 2.073 482 R HA -0.129 4.210 4.340 -0.001 0.000 0.234 482 R C 2.442 178.862 176.300 0.200 0.000 1.134 482 R CA 1.566 57.739 56.100 0.123 0.000 0.952 482 R CB -0.190 30.223 30.300 0.187 0.000 0.850 482 R HN 0.373 nan 8.270 nan 0.000 0.433 483 E N 0.498 120.852 120.200 0.258 0.000 2.051 483 E HA -0.095 4.255 4.350 -0.001 0.000 0.189 483 E C 1.855 178.738 176.600 0.471 0.000 0.979 483 E CA 0.900 57.529 56.400 0.381 0.000 0.803 483 E CB 0.173 30.024 29.700 0.253 0.000 0.761 483 E HN 0.262 nan 8.360 nan 0.000 0.451 484 I N -0.090 120.666 120.570 0.311 0.000 2.628 484 I HA -0.110 4.059 4.170 -0.001 0.000 0.255 484 I C 1.836 178.193 176.117 0.399 0.000 1.119 484 I CA 0.351 61.865 61.300 0.357 0.000 1.448 484 I CB 0.503 38.630 38.000 0.212 0.000 1.133 484 I HN 0.024 nan 8.210 nan 0.000 0.438 485 V N 0.085 120.116 119.914 0.194 0.000 3.431 485 V HA 0.280 4.400 4.120 -0.001 0.000 0.253 485 V C 1.425 177.486 176.094 -0.055 0.000 1.184 485 V CA 0.673 63.080 62.300 0.178 0.000 1.104 485 V CB -0.317 31.567 31.823 0.103 0.000 0.799 485 V HN 0.591 nan 8.190 nan 0.000 0.462 486 G N 1.377 109.857 108.800 -0.534 0.000 2.272 486 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.280 486 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.280 486 G C -0.099 174.568 174.900 -0.388 0.000 1.067 486 G CA 0.414 44.663 45.100 -1.419 0.000 0.902 486 G HN 0.455 nan 8.290 nan 0.000 0.500 487 V N -0.003 119.862 119.914 -0.081 0.000 2.555 487 V HA 0.762 4.881 4.120 -0.001 0.000 0.302 487 V C 0.605 176.786 176.094 0.145 0.000 1.038 487 V CA -0.344 62.013 62.300 0.095 0.000 0.887 487 V CB 1.992 33.953 31.823 0.230 0.000 0.991 487 V HN 0.948 nan 8.190 nan 0.000 0.434 488 V N 1.376 121.344 119.914 0.090 0.000 2.769 488 V HA 0.730 4.850 4.120 -0.001 0.000 0.312 488 V C -0.308 175.641 176.094 -0.243 0.000 1.061 488 V CA -0.861 61.426 62.300 -0.021 0.000 0.931 488 V CB 1.945 33.726 31.823 -0.070 0.000 1.010 488 V HN 0.890 nan 8.190 nan 0.000 0.433 489 E N 3.684 123.512 120.200 -0.620 0.000 2.313 489 E HA 0.343 4.692 4.350 -0.001 0.000 0.276 489 E C -2.473 173.776 176.600 -0.585 0.000 1.031 489 E CA -2.175 53.657 56.400 -0.947 0.000 0.857 489 E CB 1.488 30.133 29.700 -1.757 0.000 1.040 489 E HN 0.451 nan 8.360 nan 0.000 0.408 490 P HA -0.033 nan 4.420 nan 0.000 0.225 490 P C 0.192 177.407 177.300 -0.142 0.000 1.156 490 P CA 0.734 63.606 63.100 -0.381 0.000 0.787 490 P CB 0.208 31.518 31.700 -0.649 0.000 0.802 491 V N -5.448 114.309 119.914 -0.261 0.000 3.040 491 V HA 0.658 4.777 4.120 -0.001 0.000 0.312 491 V C -2.898 172.756 176.094 -0.734 0.000 1.115 491 V CA -3.202 58.915 62.300 -0.306 0.000 0.998 491 V CB 1.859 33.584 31.823 -0.163 0.000 1.042 491 V HN -0.273 nan 8.190 nan 0.000 0.433 492 P HA 0.314 nan 4.420 nan 0.000 0.275 492 P C -1.277 175.858 177.300 -0.274 0.000 1.228 492 P CA 0.295 62.861 63.100 -0.889 0.000 0.786 492 P CB 0.356 31.588 31.700 -0.780 0.000 0.927 493 H N 0.933 119.814 119.070 -0.314 0.000 2.887 493 H HA 0.252 4.808 4.556 -0.001 0.000 0.300 493 H C -0.163 175.269 175.328 0.173 0.000 1.038 493 H CA -0.697 55.198 56.048 -0.256 0.000 1.352 493 H CB 0.114 29.640 29.762 -0.392 0.000 1.473 493 H HN 0.446 nan 8.280 nan 0.000 0.503 494 D N 1.101 121.765 120.400 0.440 0.000 2.358 494 D HA 0.010 4.650 4.640 -0.001 0.000 0.244 494 D C 0.873 177.357 176.300 0.307 0.000 1.163 494 D CA -0.480 53.700 54.000 0.300 0.000 0.945 494 D CB 1.292 42.197 40.800 0.176 0.000 1.152 494 D HN 0.206 nan 8.370 nan 0.000 0.451 495 E N -0.233 120.082 120.200 0.192 0.000 2.492 495 E HA -0.171 4.178 4.350 -0.001 0.000 0.204 495 E C 1.858 178.495 176.600 0.062 0.000 1.073 495 E CA 1.197 57.688 56.400 0.152 0.000 0.887 495 E CB -0.756 29.003 29.700 0.097 0.000 0.813 495 E HN 0.761 nan 8.360 nan 0.000 0.562 496 T N -2.259 112.289 114.554 -0.008 0.000 2.867 496 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 496 T C 1.009 175.584 174.700 -0.209 0.000 1.057 496 T CA 0.451 62.458 62.100 -0.156 0.000 1.136 496 T CB -0.332 68.367 68.868 -0.281 0.000 0.874 496 T HN -0.035 nan 8.240 nan 0.000 0.466 497 Y N 0.293 120.534 120.300 -0.099 0.000 2.357 497 Y HA 0.415 4.965 4.550 -0.001 0.000 0.340 497 Y C 0.942 176.773 175.900 -0.114 0.000 1.260 497 Y CA -1.134 56.865 58.100 -0.168 0.000 1.425 497 Y CB 0.628 38.953 38.460 -0.226 0.000 1.326 497 Y HN 0.217 nan 8.280 nan 0.000 0.580 498 C N 3.637 122.922 119.300 -0.024 0.000 3.392 498 C HA 0.254 4.714 4.460 -0.001 0.000 0.217 498 C C 0.513 175.265 174.990 -0.395 0.000 1.222 498 C CA -0.889 58.020 59.018 -0.181 0.000 1.200 498 C CB -1.578 26.097 27.740 -0.108 0.000 1.818 498 C HN 0.894 nan 8.230 nan 0.000 0.586 499 D N 2.712 122.804 120.400 -0.512 0.000 2.149 499 D HA -0.093 4.547 4.640 -0.001 0.000 0.198 499 D C -0.399 175.447 176.300 -0.756 0.000 0.990 499 D CA 1.435 55.115 54.000 -0.532 0.000 0.839 499 D CB -0.825 39.740 40.800 -0.392 0.000 0.948 499 D HN 0.482 nan 8.370 nan 0.000 0.460 500 P HA -0.141 nan 4.420 nan 0.000 0.216 500 P C 1.105 178.035 177.300 -0.615 0.000 1.150 500 P CA 1.658 63.946 63.100 -1.352 0.000 0.843 500 P CB -0.029 30.541 31.700 -1.883 0.000 0.787 501 A N -0.230 122.249 122.820 -0.567 0.000 2.167 501 A HA -0.013 4.306 4.320 -0.001 0.000 0.214 501 A C 2.175 179.761 177.584 0.004 0.000 1.151 501 A CA 0.982 52.824 52.037 -0.326 0.000 0.735 501 A CB -1.202 17.569 19.000 -0.381 0.000 0.802 501 A HN 0.188 nan 8.150 nan 0.000 0.467 502 S N -0.567 115.188 115.700 0.091 0.000 2.500 502 S HA 0.036 4.505 4.470 -0.001 0.000 0.239 502 S C 0.633 175.928 174.600 1.158 0.000 0.989 502 S CA 0.289 58.816 58.200 0.545 0.000 0.951 502 S CB -0.330 63.161 63.200 0.485 0.000 0.759 502 S HN 0.556 nan 8.310 nan 0.000 0.523 503 L N 1.474 123.029 121.223 0.554 0.000 2.282 503 L HA 0.353 4.693 4.340 -0.001 0.000 0.288 503 L C 0.997 177.936 176.870 0.115 0.000 1.033 503 L CA -0.605 54.301 54.840 0.110 0.000 0.807 503 L CB 0.927 42.721 42.059 -0.442 0.000 1.209 503 L HN 0.164 nan 8.230 nan 0.000 0.423 504 F N 4.495 124.338 119.950 -0.177 0.000 2.050 504 F HA -0.427 4.100 4.527 -0.001 0.000 0.294 504 F C 2.181 177.750 175.800 -0.385 0.000 1.113 504 F CA 2.435 59.976 58.000 -0.765 0.000 1.225 504 F CB -0.078 38.632 39.000 -0.484 0.000 0.953 504 F HN 0.724 nan 8.300 nan 0.000 0.501 505 H N -0.708 118.533 119.070 0.285 0.000 2.357 505 H HA -0.191 4.365 4.556 -0.001 0.000 0.296 505 H C 2.403 177.797 175.328 0.111 0.000 1.108 505 H CA 1.960 58.204 56.048 0.327 0.000 1.273 505 H CB -0.821 29.012 29.762 0.118 0.000 1.367 505 H HN 0.315 nan 8.280 nan 0.000 0.498 506 V N 1.028 120.975 119.914 0.055 0.000 2.229 506 V HA -0.222 3.897 4.120 -0.001 0.000 0.243 506 V C 2.669 178.780 176.094 0.028 0.000 1.042 506 V CA 2.112 64.447 62.300 0.059 0.000 1.000 506 V CB -0.612 31.129 31.823 -0.138 0.000 0.637 506 V HN 0.536 nan 8.190 nan 0.000 0.446 507 S N -0.462 115.160 115.700 -0.130 0.000 2.515 507 S HA -0.071 4.398 4.470 -0.001 0.000 0.231 507 S C 1.403 175.832 174.600 -0.285 0.000 0.987 507 S CA 1.052 59.154 58.200 -0.162 0.000 0.936 507 S CB -0.412 62.724 63.200 -0.107 0.000 0.766 507 S HN 0.618 nan 8.310 nan 0.000 0.528 508 N N 1.458 119.911 118.700 -0.412 0.000 2.214 508 N HA 0.085 4.824 4.740 -0.001 0.000 0.214 508 N C -0.839 174.479 175.510 -0.320 0.000 1.132 508 N CA 0.338 53.075 53.050 -0.523 0.000 0.856 508 N CB 0.086 37.802 38.487 -1.285 0.000 1.020 508 N HN 0.437 nan 8.380 nan 0.000 0.509 509 D N 0.462 120.807 120.400 -0.091 0.000 3.357 509 D HA -0.253 4.386 4.640 -0.001 0.000 0.238 509 D C -1.618 174.663 176.300 -0.032 0.000 1.126 509 D CA 0.932 55.026 54.000 0.156 0.000 0.984 509 D CB -1.270 39.634 40.800 0.173 0.000 0.925 509 D HN 0.195 nan 8.370 nan 0.000 0.414 510 Y N 0.985 121.496 120.300 0.353 0.000 2.421 510 Y HA 0.392 4.942 4.550 -0.001 0.000 0.339 510 Y C 0.483 176.195 175.900 -0.315 0.000 0.996 510 Y CA -0.721 57.451 58.100 0.120 0.000 1.046 510 Y CB 1.799 40.417 38.460 0.264 0.000 1.226 510 Y HN 0.161 nan 8.280 nan 0.000 0.445 511 S N 2.879 118.107 115.700 -0.787 0.000 2.561 511 S HA -0.055 4.414 4.470 -0.001 0.000 0.294 511 S C 0.232 174.743 174.600 -0.148 0.000 1.294 511 S CA 0.514 58.093 58.200 -1.035 0.000 1.055 511 S CB 0.183 62.888 63.200 -0.824 0.000 0.819 511 S HN 0.753 nan 8.310 nan 0.000 0.503 512 F N 2.631 122.422 119.950 -0.265 0.000 2.819 512 F HA 0.302 4.828 4.527 -0.001 0.000 0.325 512 F C 1.527 177.265 175.800 -0.103 0.000 1.041 512 F CA -0.436 57.505 58.000 -0.099 0.000 1.184 512 F CB 0.039 39.032 39.000 -0.013 0.000 1.019 512 F HN 0.637 nan 8.300 nan 0.000 0.590 513 I N 2.108 122.645 120.570 -0.055 0.000 2.567 513 I HA -0.240 3.929 4.170 -0.001 0.000 0.257 513 I C 2.489 178.566 176.117 -0.068 0.000 1.184 513 I CA 1.344 62.597 61.300 -0.079 0.000 1.451 513 I CB -0.500 37.503 38.000 0.005 0.000 1.089 513 I HN 0.137 nan 8.210 nan 0.000 0.441 514 R N -0.531 119.890 120.500 -0.132 0.000 2.140 514 R HA -0.292 4.047 4.340 -0.001 0.000 0.250 514 R C 1.985 178.109 176.300 -0.295 0.000 1.150 514 R CA 2.334 58.322 56.100 -0.186 0.000 0.966 514 R CB -1.640 28.448 30.300 -0.354 0.000 0.869 514 R HN 0.308 nan 8.270 nan 0.000 0.445 515 Y N -0.148 120.048 120.300 -0.174 0.000 2.181 515 Y HA -0.207 4.342 4.550 -0.001 0.000 0.288 515 Y C 2.437 178.266 175.900 -0.117 0.000 1.146 515 Y CA 1.135 59.108 58.100 -0.210 0.000 1.164 515 Y CB -0.945 37.223 38.460 -0.487 0.000 0.982 515 Y HN 0.093 nan 8.280 nan 0.000 0.515 516 Y N 1.057 121.293 120.300 -0.106 0.000 2.092 516 Y HA -0.298 4.251 4.550 -0.001 0.000 0.282 516 Y C 2.877 178.671 175.900 -0.176 0.000 1.126 516 Y CA 2.586 60.625 58.100 -0.102 0.000 1.111 516 Y CB -0.728 37.678 38.460 -0.089 0.000 0.987 516 Y HN 0.243 nan 8.280 nan 0.000 0.489 517 T N -0.429 114.163 114.554 0.063 0.000 2.685 517 T HA -0.332 4.018 4.350 -0.001 0.000 0.268 517 T C 2.062 176.397 174.700 -0.608 0.000 1.034 517 T CA 1.732 63.648 62.100 -0.306 0.000 1.149 517 T CB -0.720 68.019 68.868 -0.214 0.000 0.860 517 T HN 0.441 nan 8.240 nan 0.000 0.449 518 R N 1.254 121.635 120.500 -0.198 0.000 2.080 518 R HA -0.148 4.191 4.340 -0.001 0.000 0.236 518 R C 2.414 178.634 176.300 -0.133 0.000 1.137 518 R CA 2.221 58.295 56.100 -0.043 0.000 0.943 518 R CB -1.206 29.138 30.300 0.072 0.000 0.846 518 R HN 0.480 nan 8.270 nan 0.000 0.431 519 T N 1.805 116.270 114.554 -0.148 0.000 2.759 519 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 519 T C 1.809 176.423 174.700 -0.143 0.000 1.042 519 T CA 1.323 63.341 62.100 -0.136 0.000 1.140 519 T CB -0.159 68.635 68.868 -0.122 0.000 0.864 519 T HN 0.083 nan 8.240 nan 0.000 0.455 520 L N -0.028 121.009 121.223 -0.310 0.000 1.976 520 L HA -0.024 4.316 4.340 -0.001 0.000 0.209 520 L C 2.255 178.981 176.870 -0.240 0.000 1.071 520 L CA 1.684 56.367 54.840 -0.263 0.000 0.746 520 L CB -1.063 40.781 42.059 -0.360 0.000 0.890 520 L HN 0.256 nan 8.230 nan 0.000 0.432 521 Y N -0.221 119.896 120.300 -0.305 0.000 2.102 521 Y HA -0.358 4.191 4.550 -0.001 0.000 0.280 521 Y C 2.702 178.190 175.900 -0.687 0.000 1.178 521 Y CA 1.410 59.103 58.100 -0.678 0.000 1.146 521 Y CB -1.279 36.670 38.460 -0.853 0.000 0.968 521 Y HN 0.326 nan 8.280 nan 0.000 0.504 522 Q N -0.426 119.230 119.800 -0.239 0.000 2.045 522 Q HA -0.282 4.058 4.340 -0.001 0.000 0.215 522 Q C 1.900 177.720 176.000 -0.301 0.000 1.026 522 Q CA 2.866 58.507 55.803 -0.270 0.000 0.885 522 Q CB -0.515 27.933 28.738 -0.482 0.000 0.984 522 Q HN 0.470 nan 8.270 nan 0.000 0.414 523 F N 0.290 120.167 119.950 -0.121 0.000 2.407 523 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 523 F C 2.470 178.245 175.800 -0.043 0.000 1.097 523 F CA 0.908 58.861 58.000 -0.079 0.000 1.422 523 F CB -0.183 38.756 39.000 -0.101 0.000 1.067 523 F HN 0.204 nan 8.300 nan 0.000 0.539 524 Q N -0.340 119.477 119.800 0.028 0.000 1.993 524 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 524 Q C 2.194 178.219 176.000 0.041 0.000 0.984 524 Q CA 1.676 57.466 55.803 -0.022 0.000 0.837 524 Q CB -0.499 28.143 28.738 -0.159 0.000 0.902 524 Q HN 0.299 nan 8.270 nan 0.000 0.423 525 F N 1.331 121.295 119.950 0.022 0.000 2.065 525 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 525 F C 2.646 178.444 175.800 -0.003 0.000 1.112 525 F CA 1.594 59.581 58.000 -0.021 0.000 1.212 525 F CB -1.174 37.772 39.000 -0.091 0.000 0.975 525 F HN 0.119 nan 8.300 nan 0.000 0.476 526 Q N 0.523 120.438 119.800 0.191 0.000 2.077 526 Q HA -0.213 4.126 4.340 -0.001 0.000 0.206 526 Q C 2.157 178.238 176.000 0.134 0.000 0.989 526 Q CA 2.008 57.886 55.803 0.124 0.000 0.853 526 Q CB -0.483 28.310 28.738 0.091 0.000 0.907 526 Q HN 0.482 nan 8.270 nan 0.000 0.418 527 E N -0.867 119.428 120.200 0.159 0.000 2.026 527 E HA -0.282 4.068 4.350 -0.001 0.000 0.206 527 E C 1.762 178.432 176.600 0.116 0.000 1.028 527 E CA 1.444 57.928 56.400 0.140 0.000 0.845 527 E CB -0.347 29.433 29.700 0.134 0.000 0.772 527 E HN 0.489 nan 8.360 nan 0.000 0.462 528 A N 0.705 123.598 122.820 0.123 0.000 2.019 528 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 528 A C 2.214 179.851 177.584 0.088 0.000 1.164 528 A CA 0.992 53.094 52.037 0.108 0.000 0.644 528 A CB -0.505 18.572 19.000 0.129 0.000 0.805 528 A HN 0.231 nan 8.150 nan 0.000 0.449 529 L N -1.038 120.237 121.223 0.087 0.000 2.056 529 L HA -0.212 4.127 4.340 -0.001 0.000 0.207 529 L C 2.627 179.520 176.870 0.039 0.000 1.078 529 L CA 1.258 56.127 54.840 0.049 0.000 0.749 529 L CB -0.553 41.527 42.059 0.035 0.000 0.901 529 L HN 0.488 nan 8.230 nan 0.000 0.433 530 c N -0.758 117.869 118.600 0.044 0.000 2.440 530 c HA -0.125 4.444 4.570 -0.001 0.000 0.278 530 c C 2.771 176.916 174.090 0.091 0.000 1.295 530 c CA 0.301 56.653 56.329 0.038 0.000 1.738 530 c CB -0.780 41.721 42.510 -0.015 0.000 1.987 530 c HN 0.523 nan 8.230 nan 0.000 0.492 531 Q N 0.920 120.773 119.800 0.088 0.000 2.096 531 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 531 Q C 2.517 178.554 176.000 0.062 0.000 0.982 531 Q CA 1.832 57.683 55.803 0.081 0.000 0.850 531 Q CB -0.326 28.457 28.738 0.075 0.000 0.901 531 Q HN 0.762 nan 8.270 nan 0.000 0.422 532 A N 0.862 123.714 122.820 0.053 0.000 1.969 532 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 532 A C 1.980 179.582 177.584 0.031 0.000 1.169 532 A CA 1.349 53.408 52.037 0.037 0.000 0.635 532 A CB -0.329 18.688 19.000 0.029 0.000 0.810 532 A HN 0.339 nan 8.150 nan 0.000 0.445 533 A N -0.671 122.172 122.820 0.038 0.000 2.359 533 A HA 0.336 4.655 4.320 -0.001 0.000 0.240 533 A C 0.455 178.076 177.584 0.061 0.000 1.306 533 A CA -0.119 51.939 52.037 0.036 0.000 0.898 533 A CB -0.341 18.673 19.000 0.024 0.000 0.956 533 A HN 0.260 nan 8.150 nan 0.000 0.497 534 K N 0.722 121.157 120.400 0.059 0.000 3.730 534 K HA -0.223 4.097 4.320 -0.001 0.000 0.276 534 K C -0.312 176.329 176.600 0.069 0.000 0.904 534 K CA 1.056 57.372 56.287 0.048 0.000 0.741 534 K CB -2.015 30.499 32.500 0.023 0.000 1.542 534 K HN 0.915 nan 8.250 nan 0.000 0.446 535 H N -0.304 118.764 119.070 -0.004 0.000 2.472 535 H HA 0.263 4.818 4.556 -0.001 0.000 0.335 535 H C 1.220 176.537 175.328 -0.018 0.000 1.136 535 H CA -0.258 55.782 56.048 -0.012 0.000 1.264 535 H CB 1.154 30.910 29.762 -0.011 0.000 1.486 535 H HN 0.162 nan 8.280 nan 0.000 0.517 536 E N 2.490 122.121 120.200 -0.950 0.000 1.964 536 E HA -0.015 4.334 4.350 -0.001 0.000 0.209 536 E C 1.151 177.459 176.600 -0.486 0.000 0.988 536 E CA 2.217 58.235 56.400 -0.636 0.000 0.875 536 E CB -0.513 28.873 29.700 -0.522 0.000 0.813 536 E HN 0.833 nan 8.360 nan 0.000 0.533 537 G N -1.210 107.300 108.800 -0.483 0.000 3.069 537 G HA2 0.317 4.277 3.960 -0.001 0.000 0.205 537 G HA3 0.317 4.277 3.960 -0.001 0.000 0.205 537 G C -2.182 172.708 174.900 -0.017 0.000 1.771 537 G CA -0.493 44.510 45.100 -0.162 0.000 0.739 537 G HN 0.149 nan 8.290 nan 0.000 0.784 538 P HA 0.148 nan 4.420 nan 0.000 0.263 538 P C 0.868 178.068 177.300 -0.167 0.000 1.195 538 P CA -0.381 62.639 63.100 -0.134 0.000 0.762 538 P CB 1.026 32.522 31.700 -0.339 0.000 0.799 539 L N 4.969 126.163 121.223 -0.049 0.000 2.089 539 L HA -0.244 4.095 4.340 -0.001 0.000 0.213 539 L C 2.290 179.088 176.870 -0.121 0.000 1.079 539 L CA 1.949 56.789 54.840 0.000 0.000 0.758 539 L CB -1.247 40.894 42.059 0.136 0.000 0.891 539 L HN 0.576 nan 8.230 nan 0.000 0.433 540 H N -1.164 117.698 119.070 -0.347 0.000 2.491 540 H HA -0.111 4.444 4.556 -0.001 0.000 0.290 540 H C 1.532 176.717 175.328 -0.238 0.000 1.050 540 H CA 1.242 56.856 56.048 -0.724 0.000 1.309 540 H CB -0.311 28.744 29.762 -1.179 0.000 1.392 540 H HN 0.428 nan 8.280 nan 0.000 0.554 541 K N 0.632 120.682 120.400 -0.584 0.000 2.487 541 K HA 0.058 4.378 4.320 -0.001 0.000 0.192 541 K C 0.433 176.887 176.600 -0.242 0.000 1.027 541 K CA -0.008 56.081 56.287 -0.329 0.000 1.054 541 K CB 0.096 32.422 32.500 -0.290 0.000 0.824 541 K HN 0.209 nan 8.250 nan 0.000 0.510 542 c N 1.727 120.104 118.600 -0.371 0.000 2.527 542 c HA 0.239 4.808 4.570 -0.001 0.000 0.396 542 c C -0.392 173.546 174.090 -0.253 0.000 1.289 542 c CA -0.542 55.412 56.329 -0.624 0.000 2.047 542 c CB 0.214 42.262 42.510 -0.771 0.000 2.568 542 c HN 0.300 nan 8.230 nan 0.000 0.573 543 D N 3.713 124.002 120.400 -0.184 0.000 2.469 543 D HA 0.360 4.999 4.640 -0.001 0.000 0.251 543 D C 0.515 176.805 176.300 -0.016 0.000 1.173 543 D CA -0.599 53.378 54.000 -0.039 0.000 0.882 543 D CB 0.774 41.596 40.800 0.037 0.000 1.129 543 D HN 0.508 nan 8.370 nan 0.000 0.549 544 I N 0.509 121.077 120.570 -0.004 0.000 3.564 544 I HA 0.235 4.404 4.170 -0.001 0.000 0.294 544 I C 0.562 176.614 176.117 -0.109 0.000 1.289 544 I CA -0.388 60.888 61.300 -0.040 0.000 1.325 544 I CB -0.912 37.067 38.000 -0.035 0.000 1.039 544 I HN 0.030 nan 8.210 nan 0.000 0.474 545 S N 2.525 118.181 115.700 -0.073 0.000 2.550 545 S HA -0.068 4.402 4.470 -0.001 0.000 0.285 545 S C 0.975 175.508 174.600 -0.113 0.000 1.326 545 S CA 0.391 58.499 58.200 -0.155 0.000 1.037 545 S CB -0.197 63.075 63.200 0.120 0.000 0.838 545 S HN 0.666 nan 8.310 nan 0.000 0.519 546 N N -0.123 118.490 118.700 -0.146 0.000 2.713 546 N HA -0.167 4.572 4.740 -0.001 0.000 0.251 546 N C -0.258 175.201 175.510 -0.085 0.000 1.117 546 N CA 1.190 54.183 53.050 -0.094 0.000 0.770 546 N CB -1.138 37.322 38.487 -0.044 0.000 1.137 546 N HN 0.490 nan 8.380 nan 0.000 0.566 547 S N 0.079 115.714 115.700 -0.109 0.000 2.468 547 S HA 0.267 4.736 4.470 -0.001 0.000 0.190 547 S C 1.515 176.065 174.600 -0.082 0.000 1.445 547 S CA 0.214 58.368 58.200 -0.076 0.000 1.084 547 S CB 0.105 63.272 63.200 -0.054 0.000 1.175 547 S HN 0.340 nan 8.310 nan 0.000 0.484 548 T N 1.774 116.282 114.554 -0.078 0.000 2.649 548 T HA -0.251 4.099 4.350 -0.001 0.000 0.268 548 T C 1.380 176.045 174.700 -0.058 0.000 1.036 548 T CA 2.012 64.067 62.100 -0.075 0.000 1.157 548 T CB -0.660 68.167 68.868 -0.069 0.000 0.861 548 T HN 0.575 nan 8.240 nan 0.000 0.445 549 E N 2.446 122.621 120.200 -0.041 0.000 2.049 549 E HA -0.026 4.323 4.350 -0.001 0.000 0.198 549 E C 2.622 179.209 176.600 -0.021 0.000 1.007 549 E CA 1.567 57.952 56.400 -0.025 0.000 0.809 549 E CB -1.090 28.602 29.700 -0.013 0.000 0.749 549 E HN 0.716 nan 8.360 nan 0.000 0.450 550 A N 0.767 123.571 122.820 -0.027 0.000 1.873 550 A HA -0.019 4.300 4.320 -0.001 0.000 0.215 550 A C 2.493 180.055 177.584 -0.037 0.000 1.186 550 A CA 1.813 53.835 52.037 -0.025 0.000 0.616 550 A CB -1.373 17.610 19.000 -0.028 0.000 0.823 550 A HN 0.334 nan 8.150 nan 0.000 0.442 551 G N -0.491 108.274 108.800 -0.059 0.000 2.514 551 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.217 551 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.217 551 G C 1.603 176.491 174.900 -0.021 0.000 1.198 551 G CA 1.582 46.648 45.100 -0.057 0.000 0.780 551 G HN 0.587 nan 8.290 nan 0.000 0.565 552 Q N 0.734 120.514 119.800 -0.034 0.000 2.077 552 Q HA -0.165 4.174 4.340 -0.001 0.000 0.206 552 Q C 2.361 178.389 176.000 0.047 0.000 0.989 552 Q CA 2.503 58.300 55.803 -0.010 0.000 0.853 552 Q CB -0.425 28.295 28.738 -0.030 0.000 0.907 552 Q HN 0.575 nan 8.270 nan 0.000 0.418 553 K N -0.754 119.656 120.400 0.017 0.000 2.001 553 K HA -0.211 4.109 4.320 -0.001 0.000 0.214 553 K C 1.951 178.545 176.600 -0.010 0.000 1.050 553 K CA 1.667 57.961 56.287 0.012 0.000 0.934 553 K CB -0.560 31.942 32.500 0.003 0.000 0.718 553 K HN 0.320 nan 8.250 nan 0.000 0.443 554 L N 0.757 121.952 121.223 -0.046 0.000 2.042 554 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 554 L C 2.044 178.833 176.870 -0.136 0.000 1.076 554 L CA 1.708 56.461 54.840 -0.145 0.000 0.749 554 L CB -0.873 41.090 42.059 -0.160 0.000 0.893 554 L HN 0.334 nan 8.230 nan 0.000 0.432 555 F N 0.604 120.454 119.950 -0.167 0.000 2.095 555 F HA -0.296 4.231 4.527 -0.001 0.000 0.298 555 F C 2.297 178.031 175.800 -0.111 0.000 1.104 555 F CA 1.983 59.895 58.000 -0.147 0.000 1.232 555 F CB -0.393 38.543 39.000 -0.106 0.000 0.987 555 F HN 0.265 nan 8.300 nan 0.000 0.475 556 N N 0.536 119.278 118.700 0.070 0.000 2.430 556 N HA -0.205 4.535 4.740 -0.001 0.000 0.186 556 N C 1.581 177.040 175.510 -0.085 0.000 1.032 556 N CA 1.847 54.902 53.050 0.008 0.000 0.893 556 N CB -0.369 38.150 38.487 0.054 0.000 0.957 556 N HN 0.571 nan 8.380 nan 0.000 0.442 557 M N -2.378 117.138 119.600 -0.139 0.000 2.421 557 M HA 0.257 4.736 4.480 -0.001 0.000 0.258 557 M C 1.404 177.584 176.300 -0.200 0.000 1.122 557 M CA 0.647 55.873 55.300 -0.123 0.000 1.078 557 M CB -0.025 32.522 32.600 -0.089 0.000 1.380 557 M HN -0.203 nan 8.290 nan 0.000 0.499 558 L N 1.763 122.762 121.223 -0.373 0.000 2.056 558 L HA 0.050 4.389 4.340 -0.001 0.000 0.207 558 L C 2.797 179.543 176.870 -0.206 0.000 1.078 558 L CA 1.938 56.470 54.840 -0.514 0.000 0.749 558 L CB -0.626 41.048 42.059 -0.642 0.000 0.901 558 L HN 0.594 nan 8.230 nan 0.000 0.433 559 R N -1.161 119.096 120.500 -0.404 0.000 2.316 559 R HA -0.061 4.279 4.340 -0.001 0.000 0.202 559 R C 1.169 177.451 176.300 -0.031 0.000 1.029 559 R CA 0.559 56.491 56.100 -0.280 0.000 1.018 559 R CB -0.354 29.645 30.300 -0.503 0.000 0.888 559 R HN 0.204 nan 8.270 nan 0.000 0.471 560 L N 1.412 122.631 121.223 -0.006 0.000 2.599 560 L HA 0.203 4.543 4.340 -0.001 0.000 0.230 560 L C 1.393 178.274 176.870 0.019 0.000 1.141 560 L CA 1.149 55.992 54.840 0.004 0.000 0.877 560 L CB -0.643 41.404 42.059 -0.020 0.000 1.009 560 L HN 0.525 nan 8.230 nan 0.000 0.447 561 G N 0.244 109.117 108.800 0.122 0.000 2.596 561 G HA2 -0.470 3.489 3.960 -0.001 0.000 0.334 561 G HA3 -0.470 3.489 3.960 -0.001 0.000 0.334 561 G C 1.166 175.988 174.900 -0.130 0.000 1.351 561 G CA 0.671 45.713 45.100 -0.098 0.000 0.965 561 G HN 0.331 nan 8.290 nan 0.000 0.533 562 K N 0.696 120.959 120.400 -0.229 0.000 2.487 562 K HA 0.153 4.473 4.320 -0.001 0.000 0.192 562 K C 2.720 179.246 176.600 -0.124 0.000 1.027 562 K CA 1.240 57.426 56.287 -0.168 0.000 1.054 562 K CB -0.275 32.119 32.500 -0.176 0.000 0.824 562 K HN 0.587 nan 8.250 nan 0.000 0.510 563 S N 0.111 115.743 115.700 -0.113 0.000 2.465 563 S HA -0.087 4.382 4.470 -0.001 0.000 0.241 563 S C 0.396 174.949 174.600 -0.078 0.000 1.000 563 S CA 0.699 58.849 58.200 -0.084 0.000 0.964 563 S CB -0.023 63.136 63.200 -0.068 0.000 0.763 563 S HN 0.161 nan 8.310 nan 0.000 0.512 564 E N 1.785 121.933 120.200 -0.087 0.000 2.207 564 E HA 0.524 4.873 4.350 -0.001 0.000 0.270 564 E C -2.975 173.563 176.600 -0.103 0.000 0.927 564 E CA -2.781 53.564 56.400 -0.091 0.000 0.799 564 E CB 1.369 31.022 29.700 -0.079 0.000 1.172 564 E HN 0.150 nan 8.360 nan 0.000 0.404 565 P HA 0.016 nan 4.420 nan 0.000 0.276 565 P C 1.201 178.387 177.300 -0.190 0.000 1.235 565 P CA -0.267 62.743 63.100 -0.149 0.000 0.772 565 P CB 0.179 31.786 31.700 -0.155 0.000 0.871 566 W N 3.381 124.579 121.300 -0.170 0.000 2.331 566 W HA -0.241 4.418 4.660 -0.001 0.000 0.291 566 W C 0.863 177.372 176.519 -0.016 0.000 1.214 566 W CA 1.868 59.023 57.345 -0.316 0.000 1.228 566 W CB -2.500 26.742 29.460 -0.363 0.000 1.135 566 W HN 0.324 nan 8.180 nan 0.000 0.537 567 T N -0.005 114.159 114.554 -0.650 0.000 2.746 567 T HA -0.259 4.090 4.350 -0.001 0.000 0.267 567 T C 2.046 176.755 174.700 0.015 0.000 1.039 567 T CA 1.552 63.365 62.100 -0.478 0.000 1.142 567 T CB -0.992 67.457 68.868 -0.699 0.000 0.866 567 T HN 0.173 nan 8.240 nan 0.000 0.444 568 L N 1.705 123.019 121.223 0.150 0.000 1.988 568 L HA 0.093 4.433 4.340 -0.001 0.000 0.207 568 L C 2.971 179.947 176.870 0.177 0.000 1.071 568 L CA 2.366 57.376 54.840 0.284 0.000 0.744 568 L CB -1.678 40.416 42.059 0.057 0.000 0.893 568 L HN 0.419 nan 8.230 nan 0.000 0.433 569 A N 0.155 123.042 122.820 0.113 0.000 1.917 569 A HA -0.280 4.040 4.320 -0.001 0.000 0.219 569 A C 2.193 179.958 177.584 0.302 0.000 1.182 569 A CA 2.080 54.202 52.037 0.142 0.000 0.633 569 A CB -0.968 18.056 19.000 0.040 0.000 0.819 569 A HN 0.532 nan 8.150 nan 0.000 0.448 570 L N -0.126 121.365 121.223 0.446 0.000 2.201 570 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 570 L C 2.065 179.116 176.870 0.302 0.000 1.105 570 L CA 2.491 57.627 54.840 0.494 0.000 0.775 570 L CB -0.523 41.854 42.059 0.529 0.000 0.913 570 L HN 0.590 nan 8.230 nan 0.000 0.440 571 E N -1.070 119.269 120.200 0.232 0.000 2.216 571 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 571 E C 1.584 178.280 176.600 0.161 0.000 0.988 571 E CA 0.532 57.037 56.400 0.175 0.000 0.834 571 E CB 0.095 29.892 29.700 0.163 0.000 0.772 571 E HN 0.562 nan 8.360 nan 0.000 0.479 572 N N 0.322 119.118 118.700 0.161 0.000 2.166 572 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 572 N C 1.959 177.536 175.510 0.112 0.000 1.019 572 N CA 1.771 54.891 53.050 0.117 0.000 0.856 572 N CB -0.105 38.436 38.487 0.090 0.000 0.993 572 N HN 0.217 nan 8.380 nan 0.000 0.426 573 V N -1.127 118.877 119.914 0.150 0.000 2.492 573 V HA 0.053 4.173 4.120 -0.001 0.000 0.241 573 V C 2.165 178.357 176.094 0.164 0.000 1.041 573 V CA 1.214 63.599 62.300 0.142 0.000 1.057 573 V CB -0.881 31.032 31.823 0.149 0.000 0.711 573 V HN 0.170 nan 8.190 nan 0.000 0.468 574 V N -2.014 118.018 119.914 0.198 0.000 3.523 574 V HA 0.690 4.809 4.120 -0.001 0.000 0.255 574 V C 1.365 177.532 176.094 0.121 0.000 1.226 574 V CA 0.512 62.909 62.300 0.161 0.000 1.092 574 V CB -0.463 31.456 31.823 0.161 0.000 0.817 574 V HN 1.496 nan 8.190 nan 0.000 0.458 575 G N 0.344 109.217 108.800 0.122 0.000 2.643 575 G HA2 0.376 4.335 3.960 -0.001 0.000 0.280 575 G HA3 0.376 4.335 3.960 -0.001 0.000 0.280 575 G C -0.129 174.823 174.900 0.086 0.000 1.120 575 G CA 0.113 45.271 45.100 0.097 0.000 1.165 575 G HN 2.072 nan 8.290 nan 0.000 0.540 576 A N 0.588 123.464 122.820 0.094 0.000 2.500 576 A HA 0.755 5.074 4.320 -0.001 0.000 0.291 576 A C 0.668 178.288 177.584 0.060 0.000 1.048 576 A CA 0.194 52.278 52.037 0.078 0.000 0.791 576 A CB 0.812 19.876 19.000 0.106 0.000 1.309 576 A HN 0.354 nan 8.150 nan 0.000 0.397 577 K N 0.439 120.823 120.400 -0.027 0.000 2.211 577 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 577 K C 0.740 177.334 176.600 -0.011 0.000 1.050 577 K CA 1.566 57.766 56.287 -0.145 0.000 0.945 577 K CB 0.039 32.373 32.500 -0.275 0.000 0.732 577 K HN 0.680 nan 8.250 nan 0.000 0.451 578 N N -0.521 118.256 118.700 0.128 0.000 2.966 578 N HA 0.239 4.978 4.740 -0.001 0.000 0.314 578 N C -1.048 174.664 175.510 0.337 0.000 1.397 578 N CA -0.905 52.328 53.050 0.305 0.000 0.776 578 N CB 0.948 39.603 38.487 0.280 0.000 1.576 578 N HN -0.106 nan 8.380 nan 0.000 0.592 579 M N 0.070 119.902 119.600 0.387 0.000 2.288 579 M HA 0.423 4.902 4.480 -0.001 0.000 0.334 579 M C -0.887 175.503 176.300 0.150 0.000 1.150 579 M CA -0.306 55.157 55.300 0.272 0.000 1.118 579 M CB 0.896 33.608 32.600 0.187 0.000 1.501 579 M HN 0.483 nan 8.290 nan 0.000 0.462 580 N N 1.212 119.967 118.700 0.092 0.000 2.235 580 N HA 0.306 5.046 4.740 -0.001 0.000 0.293 580 N C -0.633 174.900 175.510 0.039 0.000 1.083 580 N CA -0.656 52.437 53.050 0.072 0.000 0.801 580 N CB 2.946 41.478 38.487 0.074 0.000 1.559 580 N HN 0.685 nan 8.380 nan 0.000 0.472 581 V N 3.394 123.334 119.914 0.044 0.000 3.406 581 V HA 0.010 4.129 4.120 -0.001 0.000 0.263 581 V C 2.361 178.452 176.094 -0.005 0.000 1.172 581 V CA 1.062 63.365 62.300 0.004 0.000 1.140 581 V CB -0.465 31.364 31.823 0.010 0.000 0.784 581 V HN 0.683 nan 8.190 nan 0.000 0.467 582 R N 2.031 122.546 120.500 0.025 0.000 2.112 582 R HA -0.131 4.208 4.340 -0.001 0.000 0.242 582 R C -0.325 175.986 176.300 0.018 0.000 1.137 582 R CA 2.880 58.997 56.100 0.027 0.000 0.944 582 R CB -2.006 28.322 30.300 0.047 0.000 0.857 582 R HN 0.410 nan 8.270 nan 0.000 0.435 583 P HA -0.158 nan 4.420 nan 0.000 0.213 583 P C 1.530 178.806 177.300 -0.041 0.000 1.170 583 P CA 1.325 64.458 63.100 0.055 0.000 0.898 583 P CB -0.220 31.549 31.700 0.115 0.000 0.787 584 L N -0.970 120.153 121.223 -0.167 0.000 1.991 584 L HA -0.255 4.084 4.340 -0.001 0.000 0.221 584 L C 2.077 178.797 176.870 -0.250 0.000 1.079 584 L CA 1.851 56.348 54.840 -0.572 0.000 0.778 584 L CB -0.944 40.890 42.059 -0.374 0.000 0.893 584 L HN -0.073 nan 8.230 nan 0.000 0.437 585 L N -0.097 121.063 121.223 -0.106 0.000 2.081 585 L HA -0.272 4.067 4.340 -0.001 0.000 0.212 585 L C 2.200 179.097 176.870 0.044 0.000 1.080 585 L CA 2.113 56.934 54.840 -0.031 0.000 0.754 585 L CB -1.758 40.275 42.059 -0.042 0.000 0.893 585 L HN 0.459 nan 8.230 nan 0.000 0.433 586 N N -1.815 116.908 118.700 0.038 0.000 2.171 586 N HA -0.230 4.509 4.740 -0.001 0.000 0.184 586 N C 1.898 177.454 175.510 0.078 0.000 1.021 586 N CA 0.799 53.894 53.050 0.075 0.000 0.854 586 N CB -0.296 38.236 38.487 0.075 0.000 0.994 586 N HN 0.272 nan 8.380 nan 0.000 0.426 587 Y N 0.171 120.384 120.300 -0.145 0.000 2.365 587 Y HA -0.197 4.352 4.550 -0.001 0.000 0.287 587 Y C 0.816 176.449 175.900 -0.446 0.000 1.162 587 Y CA 1.462 59.400 58.100 -0.270 0.000 1.260 587 Y CB -0.036 38.097 38.460 -0.544 0.000 0.976 587 Y HN 0.055 nan 8.280 nan 0.000 0.548 588 F N -1.149 118.857 119.950 0.093 0.000 2.682 588 F HA 0.099 4.625 4.527 -0.001 0.000 0.308 588 F C 1.920 177.758 175.800 0.063 0.000 1.093 588 F CA -0.300 57.726 58.000 0.044 0.000 1.244 588 F CB 0.141 39.133 39.000 -0.014 0.000 1.052 588 F HN -0.103 nan 8.300 nan 0.000 0.573 589 E N 1.365 121.692 120.200 0.212 0.000 2.070 589 E HA -0.199 4.150 4.350 -0.001 0.000 0.197 589 E C -0.605 176.116 176.600 0.200 0.000 1.004 589 E CA 1.686 58.224 56.400 0.229 0.000 0.805 589 E CB -1.361 28.435 29.700 0.160 0.000 0.744 589 E HN 0.283 nan 8.360 nan 0.000 0.451 590 P HA -0.141 nan 4.420 nan 0.000 0.215 590 P C 1.679 179.076 177.300 0.162 0.000 1.157 590 P CA 0.822 63.980 63.100 0.096 0.000 0.868 590 P CB -0.117 31.579 31.700 -0.008 0.000 0.788 591 L N -1.782 119.550 121.223 0.182 0.000 2.141 591 L HA -0.062 4.278 4.340 -0.001 0.000 0.209 591 L C 2.150 179.232 176.870 0.355 0.000 1.094 591 L CA 1.580 56.576 54.840 0.260 0.000 0.763 591 L CB -1.470 40.758 42.059 0.283 0.000 0.908 591 L HN -0.161 nan 8.230 nan 0.000 0.437 592 F N 0.425 120.447 119.950 0.120 0.000 2.134 592 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 592 F C 2.546 178.325 175.800 -0.035 0.000 1.097 592 F CA 1.871 59.887 58.000 0.027 0.000 1.264 592 F CB -1.001 38.008 39.000 0.015 0.000 1.001 592 F HN 0.331 nan 8.300 nan 0.000 0.479 593 T N -3.343 111.200 114.554 -0.019 0.000 2.985 593 T HA -0.199 4.150 4.350 -0.001 0.000 0.266 593 T C 1.808 176.470 174.700 -0.063 0.000 1.076 593 T CA 0.859 62.850 62.100 -0.181 0.000 1.135 593 T CB -1.170 67.642 68.868 -0.095 0.000 0.890 593 T HN 0.543 nan 8.240 nan 0.000 0.480 594 W N 1.368 122.610 121.300 -0.097 0.000 2.453 594 W HA 0.295 4.955 4.660 -0.001 0.000 0.289 594 W C 1.657 178.103 176.519 -0.123 0.000 1.215 594 W CA 0.062 57.362 57.345 -0.074 0.000 1.297 594 W CB -0.303 29.146 29.460 -0.017 0.000 1.113 594 W HN 0.129 nan 8.180 nan 0.000 0.551 595 L N 1.271 122.538 121.223 0.072 0.000 1.970 595 L HA -0.302 4.038 4.340 -0.001 0.000 0.212 595 L C 2.723 179.400 176.870 -0.322 0.000 1.071 595 L CA 2.064 56.799 54.840 -0.174 0.000 0.751 595 L CB -0.901 41.226 42.059 0.113 0.000 0.889 595 L HN -0.122 nan 8.230 nan 0.000 0.432 596 K N -0.396 119.729 120.400 -0.458 0.000 2.097 596 K HA -0.325 3.994 4.320 -0.001 0.000 0.214 596 K C 1.699 178.133 176.600 -0.278 0.000 1.052 596 K CA 2.420 58.386 56.287 -0.534 0.000 0.932 596 K CB -0.460 31.664 32.500 -0.626 0.000 0.716 596 K HN 0.377 nan 8.250 nan 0.000 0.455 597 D N 0.101 120.309 120.400 -0.319 0.000 2.081 597 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 597 D C 2.079 178.182 176.300 -0.329 0.000 0.986 597 D CA 1.326 55.151 54.000 -0.291 0.000 0.837 597 D CB 0.079 40.696 40.800 -0.305 0.000 0.985 597 D HN 0.059 nan 8.370 nan 0.000 0.448 598 Q N 0.174 119.628 119.800 -0.578 0.000 2.207 598 Q HA -0.248 4.091 4.340 -0.001 0.000 0.215 598 Q C 1.742 177.603 176.000 -0.232 0.000 1.006 598 Q CA 1.706 57.189 55.803 -0.533 0.000 0.903 598 Q CB -0.950 27.215 28.738 -0.954 0.000 0.947 598 Q HN 0.562 nan 8.270 nan 0.000 0.414 599 N N 0.611 119.226 118.700 -0.142 0.000 2.521 599 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 599 N C 1.416 176.917 175.510 -0.014 0.000 1.146 599 N CA 0.360 53.405 53.050 -0.009 0.000 0.893 599 N CB -0.028 38.532 38.487 0.121 0.000 0.975 599 N HN 0.373 nan 8.380 nan 0.000 0.451 600 K N 0.466 120.834 120.400 -0.053 0.000 2.281 600 K HA -0.133 4.186 4.320 -0.001 0.000 0.203 600 K C 0.372 176.960 176.600 -0.020 0.000 1.046 600 K CA 1.262 57.526 56.287 -0.039 0.000 0.938 600 K CB -0.102 32.360 32.500 -0.064 0.000 0.737 600 K HN 0.249 nan 8.250 nan 0.000 0.458 601 N N 0.611 119.300 118.700 -0.019 0.000 2.401 601 N HA 0.123 4.862 4.740 -0.001 0.000 0.264 601 N C -1.361 174.156 175.510 0.012 0.000 1.238 601 N CA -0.428 52.618 53.050 -0.006 0.000 0.889 601 N CB 1.094 39.571 38.487 -0.016 0.000 1.196 601 N HN 0.059 nan 8.380 nan 0.000 0.511 602 S N 0.047 115.764 115.700 0.028 0.000 2.569 602 S HA 0.329 4.798 4.470 -0.001 0.000 0.280 602 S C -0.967 173.697 174.600 0.107 0.000 1.111 602 S CA -0.705 57.527 58.200 0.052 0.000 0.887 602 S CB 1.776 64.996 63.200 0.033 0.000 1.095 602 S HN 0.221 nan 8.310 nan 0.000 0.476 603 F N 2.366 122.294 119.950 -0.036 0.000 2.427 603 F HA 0.521 5.048 4.527 -0.001 0.000 0.352 603 F C -0.534 175.239 175.800 -0.044 0.000 1.100 603 F CA -0.335 57.638 58.000 -0.046 0.000 1.191 603 F CB 0.495 39.467 39.000 -0.046 0.000 1.128 603 F HN 0.258 nan 8.300 nan 0.000 0.533 604 V N 6.471 125.937 119.914 -0.748 0.000 2.370 604 V HA 0.803 4.923 4.120 -0.001 0.000 0.283 604 V C 0.297 175.734 176.094 -1.094 0.000 1.023 604 V CA 0.236 62.106 62.300 -0.717 0.000 0.857 604 V CB 0.457 31.920 31.823 -0.600 0.000 0.985 604 V HN 1.198 nan 8.190 nan 0.000 0.443 605 G N 4.455 112.771 108.800 -0.806 0.000 2.434 605 G HA2 0.076 4.035 3.960 -0.001 0.000 0.671 605 G HA3 0.076 4.035 3.960 -0.001 0.000 0.671 605 G C -1.340 173.267 174.900 -0.488 0.000 1.280 605 G CA -0.191 44.347 45.100 -0.936 0.000 0.975 605 G HN 1.471 nan 8.290 nan 0.000 0.510 606 W N -1.786 119.423 121.300 -0.153 0.000 3.003 606 W HA 0.833 5.492 4.660 -0.001 0.000 0.362 606 W C -0.103 176.512 176.519 0.159 0.000 1.213 606 W CA -0.816 56.560 57.345 0.051 0.000 1.157 606 W CB 1.199 30.648 29.460 -0.018 0.000 1.493 606 W HN 1.408 nan 8.180 nan 0.000 0.589 607 S N -0.030 115.962 115.700 0.487 0.000 2.552 607 S HA 0.333 4.803 4.470 -0.001 0.000 0.314 607 S C 0.726 175.560 174.600 0.390 0.000 1.099 607 S CA 0.092 58.505 58.200 0.355 0.000 1.070 607 S CB 1.030 64.382 63.200 0.254 0.000 0.998 607 S HN 0.827 nan 8.310 nan 0.000 0.474 608 T N 1.106 115.868 114.554 0.347 0.000 3.098 608 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 608 T C 0.724 175.544 174.700 0.201 0.000 1.145 608 T CA 0.967 63.237 62.100 0.284 0.000 1.092 608 T CB -0.249 68.769 68.868 0.250 0.000 0.908 608 T HN 0.555 nan 8.240 nan 0.000 0.526 609 D N -0.315 120.205 120.400 0.199 0.000 2.301 609 D HA 0.140 4.780 4.640 -0.001 0.000 0.206 609 D C 0.179 176.560 176.300 0.135 0.000 0.979 609 D CA -0.005 54.080 54.000 0.142 0.000 0.874 609 D CB 0.020 40.896 40.800 0.127 0.000 0.968 609 D HN 0.598 nan 8.370 nan 0.000 0.510 610 W N 2.056 123.361 121.300 0.008 0.000 2.251 610 W HA 0.324 4.983 4.660 -0.001 0.000 0.329 610 W C -0.253 176.191 176.519 -0.126 0.000 1.234 610 W CA -0.086 57.233 57.345 -0.043 0.000 1.228 610 W CB 0.659 30.117 29.460 -0.002 0.000 1.135 610 W HN -0.222 nan 8.180 nan 0.000 0.576 611 S N 3.865 118.814 115.700 -1.250 0.000 2.537 611 S HA 0.379 4.848 4.470 -0.001 0.000 0.271 611 S C -2.536 171.079 174.600 -1.641 0.000 1.148 611 S CA -1.214 56.147 58.200 -1.399 0.000 0.868 611 S CB 2.144 64.603 63.200 -1.236 0.000 1.115 611 S HN 0.328 nan 8.310 nan 0.000 0.461 612 P HA 0.042 nan 4.420 nan 0.000 0.231 612 P C 0.904 177.996 177.300 -0.347 0.000 1.168 612 P CA 0.555 63.274 63.100 -0.635 0.000 0.779 612 P CB -0.305 31.262 31.700 -0.222 0.000 0.844 613 Y N -0.868 119.231 120.300 -0.335 0.000 2.343 613 Y HA 0.492 5.042 4.550 -0.001 0.000 0.294 613 Y C 1.370 177.154 175.900 -0.193 0.000 1.122 613 Y CA -0.337 57.631 58.100 -0.221 0.000 1.173 613 Y CB -1.390 36.943 38.460 -0.213 0.000 1.077 613 Y HN -0.211 nan 8.280 nan 0.000 0.542 614 A N 1.473 124.119 122.820 -0.291 0.000 3.056 614 A HA 0.386 4.706 4.320 -0.001 0.000 0.274 614 A C -0.889 176.563 177.584 -0.221 0.000 1.661 614 A CA -0.148 51.805 52.037 -0.140 0.000 1.363 614 A CB -1.173 17.716 19.000 -0.185 0.000 1.139 614 A HN 0.451 nan 8.150 nan 0.000 0.598 615 D N 0.000 120.318 120.400 -0.137 0.000 6.856 615 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 615 D CA 0.000 53.933 54.000 -0.112 0.000 0.868 615 D CB 0.000 40.711 40.800 -0.149 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683