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 3a13_1_F DATA FIRST_RESID 8 DATA SEQUENCE IYDYYVDKGY EPSKKRDIIA VFRVTPAEGY TIEQAAGAVA AESSTGTWTT DATA SEQUENCE LYPWYEQERW ADLSAKAYDF HDMGDGSWIV RIAYPFHAFE EANLPGLLAS DATA SEQUENCE IAGNIFGMKR VKGLRLEDLY FPEKLIREFD GPAFGIEGVR KMLEIKDRPI DATA SEQUENCE YGVVPKPKVG YSPEEFEKLA YDLLSNGADY MXDDENLTSP WYNRFEERAE DATA SEQUENCE IMAKIIDKVE NETGEKKTWF ANITADLLEM EQRLEVLADL GLKHAMVDVV DATA SEQUENCE ITGWGALRYI RDLAADYGLA IHGHRAMHAA FTRNPYHGIS MFVLAKLYRL DATA SEQUENCE IGIDQLHVGT AGAGKLEGER DITIQNARIL RESHYKPDEN DVFHLEQKFY DATA SEQUENCE SIKAAFPTSS GGLHPGNIQP VIEALGTDIV LQLGGGTLGH PDGPAAGARA DATA SEQUENCE VRQAIDAIMQ GIPLDEYAKT HKELARALEK WGHVTPV 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.119 176.117 0.003 0.000 1.063 8 I CA 0.000 61.227 61.300 -0.122 0.000 1.566 8 I CB 0.000 37.837 38.000 -0.272 0.000 1.214 9 Y N 0.201 120.643 120.300 0.236 0.000 2.432 9 Y HA 0.401 4.950 4.550 -0.001 0.000 0.252 9 Y C 2.240 178.314 175.900 0.291 0.000 1.097 9 Y CA 0.410 58.697 58.100 0.313 0.000 1.250 9 Y CB -0.252 38.323 38.460 0.192 0.000 1.245 9 Y HN 0.486 nan 8.280 nan 0.000 0.522 10 D N -0.494 120.103 120.400 0.329 0.000 2.309 10 D HA -0.262 4.377 4.640 -0.001 0.000 0.212 10 D C 1.712 178.122 176.300 0.183 0.000 0.968 10 D CA 1.277 55.402 54.000 0.209 0.000 0.882 10 D CB -0.796 40.085 40.800 0.134 0.000 0.918 10 D HN 0.504 nan 8.370 nan 0.000 0.503 11 Y N -0.491 119.871 120.300 0.104 0.000 2.242 11 Y HA -0.086 4.463 4.550 -0.001 0.000 0.291 11 Y C 1.596 177.388 175.900 -0.180 0.000 1.137 11 Y CA 1.455 59.514 58.100 -0.068 0.000 1.181 11 Y CB -0.082 38.292 38.460 -0.143 0.000 0.989 11 Y HN 0.331 nan 8.280 nan 0.000 0.527 12 Y N -0.707 119.656 120.300 0.106 0.000 2.529 12 Y HA 0.177 4.726 4.550 -0.001 0.000 0.290 12 Y C 0.262 176.127 175.900 -0.058 0.000 1.177 12 Y CA -0.165 57.915 58.100 -0.033 0.000 1.305 12 Y CB -0.005 38.492 38.460 0.062 0.000 1.047 12 Y HN -0.221 nan 8.280 nan 0.000 0.522 13 V N 1.178 121.153 119.914 0.100 0.000 2.427 13 V HA 0.274 4.394 4.120 -0.001 0.000 0.286 13 V C -0.665 175.449 176.094 0.033 0.000 1.034 13 V CA -0.571 61.798 62.300 0.116 0.000 0.893 13 V CB 1.607 33.509 31.823 0.131 0.000 0.982 13 V HN 0.062 nan 8.190 nan 0.000 0.452 14 D N 3.377 123.832 120.400 0.091 0.000 2.445 14 D HA 0.214 4.854 4.640 -0.001 0.000 0.236 14 D C 0.572 176.987 176.300 0.192 0.000 1.315 14 D CA -0.458 53.584 54.000 0.070 0.000 0.924 14 D CB 1.119 41.908 40.800 -0.018 0.000 1.447 14 D HN 0.447 nan 8.370 nan 0.000 0.532 15 K N 0.603 121.097 120.400 0.157 0.000 2.504 15 K HA 0.080 4.399 4.320 -0.001 0.000 0.195 15 K C 1.671 178.381 176.600 0.183 0.000 1.036 15 K CA 0.705 57.112 56.287 0.199 0.000 0.984 15 K CB 0.464 33.010 32.500 0.077 0.000 0.788 15 K HN 0.336 nan 8.250 nan 0.000 0.488 16 G N 0.193 109.078 108.800 0.141 0.000 2.683 16 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.213 16 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.213 16 G C 0.066 175.032 174.900 0.109 0.000 1.142 16 G CA -0.221 44.940 45.100 0.102 0.000 0.793 16 G HN 0.206 nan 8.290 nan 0.000 0.534 17 Y N 1.984 122.302 120.300 0.029 0.000 2.526 17 Y HA 0.391 4.940 4.550 -0.001 0.000 0.330 17 Y C 0.257 176.079 175.900 -0.130 0.000 1.156 17 Y CA -0.010 58.058 58.100 -0.055 0.000 1.419 17 Y CB 0.391 38.806 38.460 -0.075 0.000 1.250 17 Y HN 0.130 nan 8.280 nan 0.000 0.540 18 E N 7.897 127.633 120.200 -0.774 0.000 2.129 18 E HA 0.425 4.774 4.350 -0.001 0.000 0.268 18 E C -2.938 173.098 176.600 -0.940 0.000 0.900 18 E CA -2.380 53.633 56.400 -0.645 0.000 0.755 18 E CB 0.454 29.949 29.700 -0.342 0.000 1.117 18 E HN 0.550 nan 8.360 nan 0.000 0.410 19 P HA 0.194 nan 4.420 nan 0.000 0.272 19 P C -0.065 177.080 177.300 -0.258 0.000 1.223 19 P CA -0.164 62.662 63.100 -0.456 0.000 0.784 19 P CB 1.450 32.941 31.700 -0.349 0.000 0.923 20 S N 1.312 116.965 115.700 -0.079 0.000 2.452 20 S HA 0.143 4.612 4.470 -0.001 0.000 0.284 20 S C 1.158 175.808 174.600 0.084 0.000 1.171 20 S CA -0.619 57.580 58.200 -0.003 0.000 1.064 20 S CB 0.066 63.302 63.200 0.060 0.000 0.967 20 S HN 0.273 nan 8.310 nan 0.000 0.484 21 K N 3.147 123.581 120.400 0.057 0.000 2.147 21 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 21 K C 1.354 178.116 176.600 0.269 0.000 1.049 21 K CA 1.005 57.365 56.287 0.123 0.000 0.936 21 K CB 0.016 32.558 32.500 0.070 0.000 0.722 21 K HN 0.478 nan 8.250 nan 0.000 0.446 22 K N 0.273 120.790 120.400 0.195 0.000 2.356 22 K HA 0.049 4.369 4.320 -0.001 0.000 0.195 22 K C 1.618 178.364 176.600 0.244 0.000 1.037 22 K CA 0.694 57.090 56.287 0.181 0.000 1.014 22 K CB 0.374 32.946 32.500 0.121 0.000 0.815 22 K HN 0.125 nan 8.250 nan 0.000 0.507 23 R N 0.035 120.721 120.500 0.310 0.000 2.369 23 R HA 0.122 4.461 4.340 -0.001 0.000 0.210 23 R C -0.293 176.296 176.300 0.482 0.000 0.881 23 R CA 0.005 56.383 56.100 0.463 0.000 1.031 23 R CB 0.717 31.191 30.300 0.291 0.000 1.184 23 R HN 0.009 nan 8.270 nan 0.000 0.581 24 D N 0.707 121.343 120.400 0.393 0.000 2.192 24 D HA 0.293 4.932 4.640 -0.001 0.000 0.246 24 D C -0.284 176.314 176.300 0.496 0.000 1.042 24 D CA -0.291 53.950 54.000 0.402 0.000 0.847 24 D CB 1.883 42.876 40.800 0.321 0.000 1.186 24 D HN -0.040 nan 8.370 nan 0.000 0.461 25 I N 2.202 123.071 120.570 0.498 0.000 2.428 25 I HA 0.282 4.451 4.170 -0.001 0.000 0.289 25 I C 0.157 176.613 176.117 0.566 0.000 1.019 25 I CA -0.496 61.108 61.300 0.507 0.000 1.351 25 I CB 0.866 39.094 38.000 0.380 0.000 1.412 25 I HN 0.092 nan 8.210 nan 0.000 0.513 26 I N 5.670 126.565 120.570 0.542 0.000 2.418 26 I HA 0.440 4.610 4.170 -0.001 0.000 0.287 26 I C 0.062 176.357 176.117 0.297 0.000 1.008 26 I CA -0.445 61.126 61.300 0.452 0.000 1.104 26 I CB 1.762 39.986 38.000 0.373 0.000 1.264 26 I HN 0.568 nan 8.210 nan 0.000 0.438 27 A N 6.623 129.621 122.820 0.296 0.000 2.260 27 A HA 0.694 5.013 4.320 -0.001 0.000 0.308 27 A C -0.378 177.119 177.584 -0.145 0.000 1.254 27 A CA -0.454 51.566 52.037 -0.028 0.000 0.874 27 A CB 0.680 19.651 19.000 -0.049 0.000 1.153 27 A HN 0.477 nan 8.150 nan 0.000 0.527 28 V N 3.551 123.306 119.914 -0.265 0.000 2.370 28 V HA 0.426 4.545 4.120 -0.001 0.000 0.279 28 V C -0.755 175.158 176.094 -0.302 0.000 1.029 28 V CA -0.013 62.181 62.300 -0.176 0.000 0.870 28 V CB 0.173 31.956 31.823 -0.067 0.000 0.984 28 V HN 0.693 nan 8.190 nan 0.000 0.451 29 F N 3.296 123.259 119.950 0.022 0.000 2.508 29 F HA 0.604 5.130 4.527 -0.001 0.000 0.325 29 F C 0.452 176.299 175.800 0.079 0.000 1.090 29 F CA -0.816 57.211 58.000 0.046 0.000 0.945 29 F CB 1.780 40.783 39.000 0.005 0.000 1.156 29 F HN 0.295 nan 8.300 nan 0.000 0.463 30 R N 2.563 123.259 120.500 0.327 0.000 2.204 30 R HA 0.617 4.956 4.340 -0.001 0.000 0.341 30 R C -1.754 174.731 176.300 0.309 0.000 1.035 30 R CA -0.298 55.976 56.100 0.290 0.000 0.887 30 R CB 0.560 31.010 30.300 0.250 0.000 1.114 30 R HN 0.550 nan 8.270 nan 0.000 0.473 31 V N 3.866 123.958 119.914 0.298 0.000 2.435 31 V HA 0.344 4.463 4.120 -0.001 0.000 0.290 31 V C -0.072 176.224 176.094 0.337 0.000 1.030 31 V CA -0.559 61.895 62.300 0.256 0.000 0.881 31 V CB 1.898 33.810 31.823 0.149 0.000 0.983 31 V HN 0.741 nan 8.190 nan 0.000 0.445 32 T N 7.207 121.939 114.554 0.296 0.000 2.809 32 T HA 0.419 4.768 4.350 -0.001 0.000 0.296 32 T C -2.657 172.176 174.700 0.221 0.000 1.015 32 T CA -1.208 61.071 62.100 0.298 0.000 0.954 32 T CB 1.713 70.738 68.868 0.261 0.000 0.950 32 T HN 0.411 nan 8.240 nan 0.000 0.450 33 P HA 0.339 nan 4.420 nan 0.000 0.272 33 P C -0.655 176.741 177.300 0.160 0.000 1.230 33 P CA -0.492 62.709 63.100 0.168 0.000 0.788 33 P CB 0.451 32.270 31.700 0.198 0.000 0.949 34 A N 1.219 124.122 122.820 0.138 0.000 2.371 34 A HA 0.229 4.548 4.320 -0.001 0.000 0.257 34 A C 0.289 178.028 177.584 0.257 0.000 1.089 34 A CA -0.221 51.915 52.037 0.165 0.000 0.794 34 A CB -0.377 18.692 19.000 0.116 0.000 1.029 34 A HN 0.489 nan 8.150 nan 0.000 0.488 35 E N 0.453 120.760 120.200 0.179 0.000 2.652 35 E HA 0.303 4.652 4.350 -0.001 0.000 0.255 35 E C 1.148 177.835 176.600 0.145 0.000 0.952 35 E CA 1.911 58.395 56.400 0.139 0.000 0.947 35 E CB -0.204 29.548 29.700 0.087 0.000 0.912 35 E HN 1.607 nan 8.360 nan 0.000 0.489 36 G N 3.139 111.974 108.800 0.058 0.000 2.134 36 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.209 36 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.209 36 G C -0.693 173.970 174.900 -0.394 0.000 0.993 36 G CA -0.010 45.005 45.100 -0.141 0.000 0.669 36 G HN 0.415 nan 8.290 nan 0.000 0.519 37 Y N 0.507 120.833 120.300 0.044 0.000 2.492 37 Y HA 0.595 5.144 4.550 -0.001 0.000 0.346 37 Y C 0.901 176.810 175.900 0.016 0.000 0.997 37 Y CA -0.211 57.910 58.100 0.035 0.000 1.025 37 Y CB 1.765 40.248 38.460 0.039 0.000 1.263 37 Y HN 0.315 nan 8.280 nan 0.000 0.454 38 T N -0.908 113.723 114.554 0.129 0.000 2.788 38 T HA 0.158 4.508 4.350 -0.001 0.000 0.287 38 T C 0.983 175.636 174.700 -0.078 0.000 1.007 38 T CA -0.491 61.607 62.100 -0.003 0.000 1.005 38 T CB 0.961 69.804 68.868 -0.040 0.000 1.012 38 T HN 0.611 nan 8.240 nan 0.000 0.530 39 I N 0.646 121.010 120.570 -0.344 0.000 2.394 39 I HA -0.025 4.144 4.170 -0.001 0.000 0.251 39 I C 2.112 178.140 176.117 -0.149 0.000 1.136 39 I CA 1.414 62.444 61.300 -0.450 0.000 1.425 39 I CB -0.818 36.397 38.000 -1.309 0.000 1.079 39 I HN 0.753 nan 8.210 nan 0.000 0.425 40 E N 0.174 120.275 120.200 -0.165 0.000 2.077 40 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 40 E C 2.205 178.830 176.600 0.041 0.000 0.989 40 E CA 1.374 57.743 56.400 -0.052 0.000 0.800 40 E CB -0.284 29.319 29.700 -0.162 0.000 0.746 40 E HN 0.605 nan 8.360 nan 0.000 0.452 41 Q N -0.293 119.538 119.800 0.051 0.000 2.167 41 Q HA -0.032 4.307 4.340 -0.001 0.000 0.202 41 Q C 2.090 178.101 176.000 0.018 0.000 0.970 41 Q CA 1.205 57.083 55.803 0.125 0.000 0.855 41 Q CB -0.063 28.826 28.738 0.252 0.000 0.911 41 Q HN 0.295 nan 8.270 nan 0.000 0.438 42 A N 0.974 123.782 122.820 -0.019 0.000 1.874 42 A HA 0.002 4.322 4.320 -0.001 0.000 0.214 42 A C 2.290 179.785 177.584 -0.149 0.000 1.189 42 A CA 1.271 53.248 52.037 -0.100 0.000 0.615 42 A CB -0.759 18.212 19.000 -0.047 0.000 0.830 42 A HN 0.361 nan 8.150 nan 0.000 0.443 43 A N -0.313 122.463 122.820 -0.074 0.000 1.933 43 A HA 0.095 4.415 4.320 -0.001 0.000 0.218 43 A C 2.378 179.889 177.584 -0.122 0.000 1.175 43 A CA 1.997 53.976 52.037 -0.096 0.000 0.628 43 A CB -1.378 17.642 19.000 0.034 0.000 0.814 43 A HN 0.714 nan 8.150 nan 0.000 0.444 44 G N -0.529 108.233 108.800 -0.064 0.000 2.421 44 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.216 44 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.216 44 G C 1.755 176.393 174.900 -0.436 0.000 1.171 44 G CA 1.450 46.513 45.100 -0.061 0.000 0.775 44 G HN 0.812 nan 8.290 nan 0.000 0.543 45 A N 0.002 122.387 122.820 -0.725 0.000 1.933 45 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 45 A C 2.602 179.820 177.584 -0.611 0.000 1.175 45 A CA 1.783 53.170 52.037 -1.084 0.000 0.628 45 A CB -0.544 17.966 19.000 -0.817 0.000 0.814 45 A HN 0.256 nan 8.150 nan 0.000 0.444 46 V N -0.212 119.428 119.914 -0.457 0.000 2.307 46 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 46 V C 3.059 178.940 176.094 -0.356 0.000 1.045 46 V CA 1.921 63.960 62.300 -0.435 0.000 1.024 46 V CB -1.198 30.294 31.823 -0.551 0.000 0.651 46 V HN 0.604 nan 8.190 nan 0.000 0.449 47 A N -0.115 122.521 122.820 -0.307 0.000 1.933 47 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 47 A C 2.397 179.742 177.584 -0.397 0.000 1.175 47 A CA 2.068 53.970 52.037 -0.226 0.000 0.628 47 A CB -0.704 18.221 19.000 -0.124 0.000 0.814 47 A HN 0.564 nan 8.150 nan 0.000 0.444 48 A N -0.485 121.894 122.820 -0.735 0.000 1.873 48 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 48 A C 1.889 179.240 177.584 -0.388 0.000 1.186 48 A CA 1.545 52.961 52.037 -1.036 0.000 0.616 48 A CB -0.376 18.103 19.000 -0.869 0.000 0.823 48 A HN 0.416 nan 8.150 nan 0.000 0.442 49 E N 0.462 120.500 120.200 -0.270 0.000 2.347 49 E HA -0.074 4.276 4.350 -0.001 0.000 0.196 49 E C 1.877 178.434 176.600 -0.071 0.000 1.008 49 E CA 1.146 57.471 56.400 -0.124 0.000 0.852 49 E CB -0.208 29.416 29.700 -0.127 0.000 0.783 49 E HN 0.736 nan 8.360 nan 0.000 0.505 50 S N -0.887 114.781 115.700 -0.054 0.000 2.556 50 S HA 0.116 4.585 4.470 -0.001 0.000 0.216 50 S C 1.404 176.111 174.600 0.178 0.000 0.970 50 S CA 0.382 58.627 58.200 0.076 0.000 0.912 50 S CB 0.273 63.576 63.200 0.171 0.000 0.790 50 S HN 0.166 nan 8.310 nan 0.000 0.504 51 S N 1.648 117.394 115.700 0.077 0.000 4.167 51 S HA 0.192 4.661 4.470 -0.001 0.000 0.168 51 S C 1.059 175.668 174.600 0.015 0.000 1.032 51 S CA 0.519 58.755 58.200 0.060 0.000 1.146 51 S CB -0.231 63.023 63.200 0.090 0.000 1.888 51 S HN 0.468 nan 8.310 nan 0.000 0.844 52 T N -0.320 114.268 114.554 0.056 0.000 3.174 52 T HA 0.608 4.957 4.350 -0.001 0.000 0.269 52 T C 0.732 175.656 174.700 0.374 0.000 1.017 52 T CA 0.184 62.367 62.100 0.138 0.000 0.899 52 T CB 0.176 68.953 68.868 -0.153 0.000 1.077 52 T HN 0.756 nan 8.240 nan 0.000 0.552 53 G N 0.058 108.992 108.800 0.223 0.000 2.857 53 G HA2 0.804 4.764 3.960 -0.001 0.000 0.217 53 G HA3 0.804 4.764 3.960 -0.001 0.000 0.217 53 G C -0.320 174.697 174.900 0.195 0.000 1.357 53 G CA -0.130 45.139 45.100 0.283 0.000 1.033 53 G HN 0.743 nan 8.290 nan 0.000 0.571 54 T N -2.182 112.496 114.554 0.207 0.000 2.686 54 T HA 0.403 4.752 4.350 -0.001 0.000 0.308 54 T C 0.319 175.129 174.700 0.184 0.000 1.667 54 T CA 0.095 62.292 62.100 0.161 0.000 0.987 54 T CB 0.113 68.993 68.868 0.020 0.000 1.652 54 T HN 1.043 nan 8.240 nan 0.000 0.496 55 W N 0.996 122.349 121.300 0.090 0.000 2.863 55 W HA 0.411 5.070 4.660 -0.001 0.000 0.258 55 W C 0.084 176.587 176.519 -0.028 0.000 1.298 55 W CA 1.065 58.444 57.345 0.056 0.000 1.451 55 W CB -0.586 28.921 29.460 0.077 0.000 1.107 55 W HN 0.836 nan 8.180 nan 0.000 0.641 56 T N 0.626 114.770 114.554 -0.683 0.000 2.887 56 T HA 0.548 4.897 4.350 -0.001 0.000 0.292 56 T C 0.134 174.599 174.700 -0.390 0.000 1.087 56 T CA 0.244 61.958 62.100 -0.643 0.000 1.009 56 T CB 1.318 69.499 68.868 -1.145 0.000 1.203 56 T HN 0.086 nan 8.240 nan 0.000 0.518 57 T N 1.428 115.816 114.554 -0.277 0.000 2.930 57 T HA 0.612 4.961 4.350 -0.001 0.000 0.306 57 T C 0.093 174.688 174.700 -0.175 0.000 1.045 57 T CA 0.355 62.341 62.100 -0.190 0.000 1.134 57 T CB -0.322 68.461 68.868 -0.142 0.000 0.961 57 T HN 1.217 nan 8.240 nan 0.000 0.545 58 L N 0.469 121.617 121.223 -0.125 0.000 2.401 58 L HA 0.888 5.228 4.340 -0.001 0.000 0.266 58 L C 0.305 177.159 176.870 -0.027 0.000 0.991 58 L CA -1.388 53.420 54.840 -0.054 0.000 0.818 58 L CB -0.322 41.751 42.059 0.023 0.000 1.321 58 L HN 1.473 nan 8.230 nan 0.000 0.413 59 Y N 0.879 121.185 120.300 0.012 0.000 2.459 59 Y HA 0.575 5.124 4.550 -0.001 0.000 0.349 59 Y C -1.811 174.116 175.900 0.045 0.000 1.266 59 Y CA -1.244 56.858 58.100 0.003 0.000 1.483 59 Y CB -0.554 37.914 38.460 0.014 0.000 1.362 59 Y HN 0.799 nan 8.280 nan 0.000 0.628 60 P HA 0.225 nan 4.420 nan 0.000 0.301 60 P C -0.145 176.982 177.300 -0.288 0.000 1.348 60 P CA -0.075 62.733 63.100 -0.486 0.000 0.826 60 P CB 0.284 31.669 31.700 -0.526 0.000 0.945 61 W N 3.516 124.564 121.300 -0.420 0.000 2.304 61 W HA 0.224 4.884 4.660 -0.001 0.000 0.326 61 W C -1.279 175.201 176.519 -0.066 0.000 0.920 61 W CA -0.591 56.666 57.345 -0.146 0.000 1.518 61 W CB -0.822 28.638 29.460 -0.000 0.000 1.112 61 W HN 0.236 nan 8.180 nan 0.000 0.528 62 Y N -0.655 119.315 120.300 -0.550 0.000 2.609 62 Y HA 0.625 5.174 4.550 -0.001 0.000 0.342 62 Y C -0.066 175.648 175.900 -0.311 0.000 1.058 62 Y CA -2.245 55.531 58.100 -0.541 0.000 1.055 62 Y CB 0.419 38.304 38.460 -0.958 0.000 1.292 62 Y HN -0.063 nan 8.280 nan 0.000 0.476 63 E N 1.673 121.841 120.200 -0.053 0.000 2.292 63 E HA -0.045 4.304 4.350 -0.001 0.000 0.265 63 E C 0.595 177.232 176.600 0.062 0.000 1.093 63 E CA -0.001 56.375 56.400 -0.040 0.000 0.922 63 E CB 1.076 30.782 29.700 0.008 0.000 1.001 63 E HN 0.834 nan 8.360 nan 0.000 0.444 64 Q N 3.786 123.551 119.800 -0.058 0.000 2.135 64 Q HA -0.256 4.084 4.340 -0.001 0.000 0.204 64 Q C 1.646 177.769 176.000 0.204 0.000 0.981 64 Q CA 2.214 58.051 55.803 0.058 0.000 0.856 64 Q CB 0.080 28.767 28.738 -0.085 0.000 0.902 64 Q HN 0.713 nan 8.270 nan 0.000 0.425 65 E N -0.146 120.119 120.200 0.108 0.000 2.106 65 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 65 E C 1.952 178.617 176.600 0.108 0.000 0.984 65 E CA 1.182 57.641 56.400 0.099 0.000 0.806 65 E CB -0.162 29.567 29.700 0.049 0.000 0.750 65 E HN 0.323 nan 8.360 nan 0.000 0.458 66 R N -0.767 119.800 120.500 0.112 0.000 2.066 66 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 66 R C 2.148 178.502 176.300 0.091 0.000 1.131 66 R CA 1.587 57.738 56.100 0.085 0.000 0.955 66 R CB -0.676 29.665 30.300 0.069 0.000 0.851 66 R HN 0.398 nan 8.270 nan 0.000 0.432 67 W N 1.129 122.412 121.300 -0.027 0.000 2.333 67 W HA -0.222 4.437 4.660 -0.002 0.000 0.316 67 W C 2.024 178.519 176.519 -0.040 0.000 1.215 67 W CA 2.478 59.780 57.345 -0.071 0.000 1.278 67 W CB -0.482 28.942 29.460 -0.058 0.000 1.154 67 W HN 0.196 nan 8.180 nan 0.000 0.486 68 A N -0.307 122.561 122.820 0.079 0.000 1.972 68 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 68 A C 1.636 179.109 177.584 -0.185 0.000 1.169 68 A CA 2.119 54.065 52.037 -0.152 0.000 0.635 68 A CB -1.199 17.906 19.000 0.175 0.000 0.810 68 A HN 0.454 nan 8.150 nan 0.000 0.446 69 D N -0.651 119.693 120.400 -0.094 0.000 2.310 69 D HA -0.035 4.604 4.640 -0.001 0.000 0.212 69 D C 1.415 177.607 176.300 -0.179 0.000 0.965 69 D CA 0.804 54.757 54.000 -0.078 0.000 0.879 69 D CB -0.093 40.718 40.800 0.018 0.000 0.921 69 D HN 0.446 nan 8.370 nan 0.000 0.510 70 L N -0.444 120.607 121.223 -0.286 0.000 2.693 70 L HA 0.253 4.593 4.340 -0.001 0.000 0.235 70 L C 0.532 177.186 176.870 -0.359 0.000 1.127 70 L CA -0.233 54.382 54.840 -0.374 0.000 0.914 70 L CB 0.376 42.216 42.059 -0.365 0.000 1.193 70 L HN -0.162 nan 8.230 nan 0.000 0.502 71 S N 1.042 116.503 115.700 -0.398 0.000 2.564 71 S HA 0.485 4.954 4.470 -0.001 0.000 0.278 71 S C 0.506 174.958 174.600 -0.246 0.000 1.333 71 S CA -0.570 57.441 58.200 -0.314 0.000 1.048 71 S CB 1.363 64.303 63.200 -0.434 0.000 0.900 71 S HN 0.272 nan 8.310 nan 0.000 0.505 72 A N 3.346 126.080 122.820 -0.144 0.000 2.313 72 A HA 0.585 4.904 4.320 -0.001 0.000 0.261 72 A C -0.110 177.305 177.584 -0.282 0.000 1.090 72 A CA -0.389 51.431 52.037 -0.362 0.000 0.807 72 A CB 0.334 18.916 19.000 -0.696 0.000 1.055 72 A HN 0.582 nan 8.150 nan 0.000 0.492 73 K N 0.636 120.814 120.400 -0.369 0.000 2.507 73 K HA 0.531 4.851 4.320 -0.001 0.000 0.252 73 K C -0.725 175.850 176.600 -0.041 0.000 0.943 73 K CA -0.301 55.841 56.287 -0.240 0.000 0.808 73 K CB 1.729 33.961 32.500 -0.448 0.000 1.142 73 K HN 0.778 nan 8.250 nan 0.000 0.426 74 A N 3.449 126.276 122.820 0.011 0.000 2.396 74 A HA 0.286 4.606 4.320 -0.001 0.000 0.279 74 A C 0.191 177.883 177.584 0.180 0.000 1.165 74 A CA 0.015 52.057 52.037 0.009 0.000 0.824 74 A CB -0.457 18.528 19.000 -0.025 0.000 1.100 74 A HN 0.815 nan 8.150 nan 0.000 0.516 75 Y N -0.029 120.314 120.300 0.072 0.000 2.448 75 Y HA 0.424 4.973 4.550 -0.001 0.000 0.257 75 Y C -0.072 175.968 175.900 0.233 0.000 1.089 75 Y CA -0.375 57.844 58.100 0.198 0.000 1.245 75 Y CB 0.655 39.248 38.460 0.221 0.000 1.282 75 Y HN 0.459 nan 8.280 nan 0.000 0.529 76 D N 0.890 120.983 120.400 -0.512 0.000 2.788 76 D HA 0.285 4.924 4.640 -0.001 0.000 0.247 76 D C -1.897 174.260 176.300 -0.238 0.000 1.236 76 D CA -0.384 53.476 54.000 -0.234 0.000 0.898 76 D CB 1.460 42.021 40.800 -0.397 0.000 1.401 76 D HN 0.104 nan 8.370 nan 0.000 0.549 77 F N 2.553 122.493 119.950 -0.017 0.000 2.460 77 F HA 0.250 4.776 4.527 -0.001 0.000 0.341 77 F C 0.010 175.943 175.800 0.222 0.000 1.130 77 F CA -0.993 57.055 58.000 0.079 0.000 0.962 77 F CB 1.607 40.606 39.000 -0.001 0.000 1.171 77 F HN 0.361 nan 8.300 nan 0.000 0.436 78 H N 2.089 121.337 119.070 0.296 0.000 2.587 78 H HA 0.254 4.810 4.556 -0.001 0.000 0.325 78 H C -0.970 174.481 175.328 0.205 0.000 1.012 78 H CA -0.872 55.295 56.048 0.199 0.000 1.213 78 H CB 0.997 30.769 29.762 0.016 0.000 1.431 78 H HN 0.508 nan 8.280 nan 0.000 0.492 79 D N 4.655 124.856 120.400 -0.332 0.000 2.401 79 D HA -0.038 4.602 4.640 -0.001 0.000 0.254 79 D C 0.769 176.617 176.300 -0.753 0.000 1.192 79 D CA -0.086 53.482 54.000 -0.720 0.000 0.885 79 D CB 0.804 41.320 40.800 -0.474 0.000 1.147 79 D HN 0.564 nan 8.370 nan 0.000 0.478 80 M N 2.559 121.805 119.600 -0.589 0.000 2.558 80 M HA 0.149 4.628 4.480 -0.001 0.000 0.255 80 M C 1.496 177.638 176.300 -0.262 0.000 1.113 80 M CA 0.720 55.837 55.300 -0.306 0.000 1.097 80 M CB -0.882 31.645 32.600 -0.122 0.000 1.426 80 M HN 0.736 nan 8.290 nan 0.000 0.488 81 G N 2.286 110.858 108.800 -0.379 0.000 2.147 81 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.244 81 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.244 81 G C -0.035 174.763 174.900 -0.170 0.000 1.005 81 G CA 0.670 45.614 45.100 -0.260 0.000 0.713 81 G HN 0.593 nan 8.290 nan 0.000 0.515 82 D N -2.478 117.817 120.400 -0.176 0.000 2.562 82 D HA 0.425 5.064 4.640 -0.001 0.000 0.246 82 D C 1.546 177.804 176.300 -0.069 0.000 1.347 82 D CA 0.888 54.850 54.000 -0.064 0.000 0.800 82 D CB -0.335 40.499 40.800 0.056 0.000 1.111 82 D HN 1.473 nan 8.370 nan 0.000 0.508 83 G N 0.233 108.927 108.800 -0.176 0.000 2.213 83 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.226 83 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.226 83 G C 0.287 175.189 174.900 0.004 0.000 0.992 83 G CA 0.223 45.274 45.100 -0.082 0.000 0.632 83 G HN 1.043 nan 8.290 nan 0.000 0.511 84 S N -0.516 115.166 115.700 -0.031 0.000 2.578 84 S HA 0.816 5.285 4.470 -0.001 0.000 0.301 84 S C -0.547 174.055 174.600 0.004 0.000 1.091 84 S CA -0.672 57.636 58.200 0.179 0.000 1.032 84 S CB 2.116 65.526 63.200 0.352 0.000 1.064 84 S HN 0.517 nan 8.310 nan 0.000 0.508 85 W N 1.386 122.762 121.300 0.126 0.000 2.844 85 W HA 0.434 5.093 4.660 -0.001 0.000 0.340 85 W C -0.919 175.649 176.519 0.080 0.000 1.093 85 W CA -1.055 56.343 57.345 0.088 0.000 1.212 85 W CB 1.894 31.420 29.460 0.111 0.000 1.422 85 W HN 0.526 nan 8.180 nan 0.000 0.515 86 I N 3.732 124.464 120.570 0.269 0.000 2.363 86 I HA 0.113 4.282 4.170 -0.001 0.000 0.292 86 I C 0.103 176.261 176.117 0.069 0.000 1.075 86 I CA -0.485 60.903 61.300 0.146 0.000 1.333 86 I CB -0.154 37.859 38.000 0.022 0.000 1.415 86 I HN -0.116 nan 8.210 nan 0.000 0.502 87 V N 8.092 127.998 119.914 -0.013 0.000 2.398 87 V HA 0.423 4.542 4.120 -0.001 0.000 0.286 87 V C 0.474 176.443 176.094 -0.208 0.000 1.026 87 V CA -0.866 61.256 62.300 -0.297 0.000 0.868 87 V CB 1.727 33.310 31.823 -0.401 0.000 0.982 87 V HN 0.627 nan 8.190 nan 0.000 0.443 88 R N 5.024 125.281 120.500 -0.405 0.000 2.368 88 R HA 0.737 5.076 4.340 -0.001 0.000 0.302 88 R C -1.004 175.110 176.300 -0.310 0.000 1.002 88 R CA -0.446 55.445 56.100 -0.349 0.000 0.929 88 R CB 1.553 31.516 30.300 -0.562 0.000 1.073 88 R HN 0.593 nan 8.270 nan 0.000 0.464 89 I N 1.466 122.077 120.570 0.068 0.000 2.533 89 I HA 0.457 4.626 4.170 -0.001 0.000 0.290 89 I C -0.463 175.794 176.117 0.234 0.000 1.056 89 I CA -0.996 60.379 61.300 0.125 0.000 1.057 89 I CB 2.220 40.297 38.000 0.128 0.000 1.240 89 I HN 0.612 nan 8.210 nan 0.000 0.423 90 A N 6.072 128.952 122.820 0.099 0.000 2.318 90 A HA 0.814 5.133 4.320 -0.001 0.000 0.324 90 A C -1.568 175.904 177.584 -0.187 0.000 1.170 90 A CA -0.314 51.797 52.037 0.123 0.000 0.810 90 A CB 0.624 19.714 19.000 0.151 0.000 1.198 90 A HN 0.633 nan 8.150 nan 0.000 0.484 91 Y N 2.570 122.987 120.300 0.194 0.000 2.391 91 Y HA 0.480 5.029 4.550 -0.001 0.000 0.341 91 Y C -2.234 173.770 175.900 0.174 0.000 0.965 91 Y CA -2.517 55.681 58.100 0.164 0.000 1.067 91 Y CB 2.233 40.911 38.460 0.363 0.000 1.199 91 Y HN 0.506 nan 8.280 nan 0.000 0.450 92 P HA -0.007 nan 4.420 nan 0.000 0.275 92 P C 0.415 177.778 177.300 0.104 0.000 1.227 92 P CA -0.234 62.906 63.100 0.066 0.000 0.781 92 P CB 0.642 32.268 31.700 -0.123 0.000 0.906 93 F N 2.850 122.959 119.950 0.265 0.000 2.234 93 F HA -0.156 4.370 4.527 -0.002 0.000 0.299 93 F C 1.930 177.869 175.800 0.230 0.000 1.087 93 F CA 1.193 59.362 58.000 0.283 0.000 1.340 93 F CB -1.853 37.252 39.000 0.175 0.000 1.031 93 F HN 0.422 nan 8.300 nan 0.000 0.500 94 H N -0.000 118.799 119.070 -0.451 0.000 2.553 94 H HA 0.395 4.950 4.556 -0.000 0.000 0.269 94 H C 1.616 176.848 175.328 -0.161 0.000 1.011 94 H CA 0.627 56.545 56.048 -0.218 0.000 1.150 94 H CB -0.728 28.799 29.762 -0.391 0.000 1.339 94 H HN 0.430 nan 8.280 nan 0.000 0.604 95 A N 0.552 123.044 122.820 -0.547 0.000 2.119 95 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 95 A C 0.118 177.297 177.584 -0.676 0.000 1.152 95 A CA -0.052 51.571 52.037 -0.690 0.000 0.708 95 A CB -0.289 18.203 19.000 -0.846 0.000 0.805 95 A HN 0.203 nan 8.150 nan 0.000 0.460 96 F N -0.202 119.727 119.950 -0.036 0.000 2.492 96 F HA 0.411 4.938 4.527 -0.001 0.000 0.327 96 F C 0.446 176.245 175.800 -0.002 0.000 1.079 96 F CA -1.315 56.671 58.000 -0.024 0.000 0.967 96 F CB 0.934 39.910 39.000 -0.040 0.000 1.169 96 F HN 0.142 nan 8.300 nan 0.000 0.472 97 E N 2.354 122.652 120.200 0.162 0.000 2.465 97 E HA -0.027 4.322 4.350 -0.001 0.000 0.260 97 E C -0.443 176.197 176.600 0.067 0.000 0.980 97 E CA -0.224 56.230 56.400 0.089 0.000 0.927 97 E CB 0.445 30.177 29.700 0.053 0.000 0.934 97 E HN 0.595 nan 8.360 nan 0.000 0.459 98 E N 2.759 122.981 120.200 0.038 0.000 2.442 98 E HA 0.075 4.424 4.350 -0.001 0.000 0.262 98 E C 0.262 176.804 176.600 -0.096 0.000 1.004 98 E CA 0.568 56.949 56.400 -0.031 0.000 0.928 98 E CB 0.477 30.157 29.700 -0.033 0.000 0.937 98 E HN 0.735 nan 8.360 nan 0.000 0.446 99 A N 3.635 126.339 122.820 -0.194 0.000 2.687 99 A HA -0.223 4.097 4.320 -0.001 0.000 0.299 99 A C 0.056 177.528 177.584 -0.188 0.000 1.497 99 A CA 0.992 52.866 52.037 -0.272 0.000 0.751 99 A CB -1.632 17.226 19.000 -0.236 0.000 1.048 99 A HN 0.517 nan 8.150 nan 0.000 0.464 100 N N -0.428 118.182 118.700 -0.150 0.000 2.750 100 N HA 0.368 5.107 4.740 -0.001 0.000 0.253 100 N C 0.420 175.881 175.510 -0.083 0.000 1.408 100 N CA -0.168 52.834 53.050 -0.080 0.000 0.780 100 N CB 0.466 38.936 38.487 -0.029 0.000 1.191 100 N HN 0.380 nan 8.380 nan 0.000 0.511 101 L N 4.137 125.322 121.223 -0.064 0.000 2.012 101 L HA 0.140 4.480 4.340 -0.001 0.000 0.210 101 L C -0.980 175.823 176.870 -0.111 0.000 1.073 101 L CA 2.205 57.017 54.840 -0.048 0.000 0.748 101 L CB -0.945 41.175 42.059 0.102 0.000 0.891 101 L HN 0.330 nan 8.230 nan 0.000 0.431 102 P HA -0.121 nan 4.420 nan 0.000 0.216 102 P C 1.600 178.872 177.300 -0.046 0.000 1.150 102 P CA 1.854 64.936 63.100 -0.030 0.000 0.843 102 P CB -0.400 31.346 31.700 0.076 0.000 0.787 103 G N -0.294 108.493 108.800 -0.022 0.000 2.402 103 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 103 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 103 G C 1.444 176.343 174.900 -0.002 0.000 1.162 103 G CA 0.431 45.536 45.100 0.009 0.000 0.777 103 G HN 0.220 nan 8.290 nan 0.000 0.539 104 L N 0.707 121.872 121.223 -0.096 0.000 2.012 104 L HA 0.043 4.382 4.340 -0.001 0.000 0.210 104 L C 2.707 179.454 176.870 -0.205 0.000 1.073 104 L CA 1.478 56.168 54.840 -0.251 0.000 0.748 104 L CB -0.548 41.242 42.059 -0.449 0.000 0.891 104 L HN 0.204 nan 8.230 nan 0.000 0.431 105 L N -0.425 120.662 121.223 -0.225 0.000 2.079 105 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 105 L C 2.659 179.460 176.870 -0.115 0.000 1.081 105 L CA 1.187 55.882 54.840 -0.241 0.000 0.752 105 L CB -1.033 40.769 42.059 -0.429 0.000 0.896 105 L HN 0.428 nan 8.230 nan 0.000 0.433 106 A N -0.871 121.913 122.820 -0.061 0.000 2.019 106 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 106 A C 2.490 180.078 177.584 0.007 0.000 1.164 106 A CA 2.057 54.092 52.037 -0.004 0.000 0.644 106 A CB -0.366 18.646 19.000 0.021 0.000 0.805 106 A HN 0.398 nan 8.150 nan 0.000 0.449 107 S N -0.234 115.474 115.700 0.015 0.000 2.341 107 S HA -0.035 4.434 4.470 -0.001 0.000 0.216 107 S C 1.482 176.077 174.600 -0.009 0.000 1.034 107 S CA 1.332 59.558 58.200 0.043 0.000 0.964 107 S CB -0.344 62.963 63.200 0.178 0.000 0.882 107 S HN 0.763 nan 8.310 nan 0.000 0.469 108 I N -0.897 119.634 120.570 -0.065 0.000 3.861 108 I HA 0.586 4.756 4.170 -0.001 0.000 0.329 108 I C 0.586 176.703 176.117 0.000 0.000 1.321 108 I CA -0.400 60.888 61.300 -0.019 0.000 1.126 108 I CB 0.142 38.050 38.000 -0.154 0.000 1.018 108 I HN 0.129 nan 8.210 nan 0.000 0.407 109 A N -0.148 122.640 122.820 -0.052 0.000 2.816 109 A HA 0.780 5.099 4.320 -0.001 0.000 0.208 109 A C 0.655 178.324 177.584 0.141 0.000 0.896 109 A CA 0.009 52.069 52.037 0.037 0.000 1.183 109 A CB -0.754 18.337 19.000 0.151 0.000 1.249 109 A HN 0.393 nan 8.150 nan 0.000 0.484 110 G N 0.173 108.966 108.800 -0.010 0.000 3.345 110 G HA2 0.265 4.224 3.960 -0.001 0.000 0.202 110 G HA3 0.265 4.224 3.960 -0.001 0.000 0.202 110 G C 0.694 175.635 174.900 0.068 0.000 1.740 110 G CA 0.335 45.475 45.100 0.067 0.000 0.806 110 G HN 0.168 nan 8.290 nan 0.000 0.718 111 N N 1.295 120.008 118.700 0.021 0.000 2.348 111 N HA -0.119 4.620 4.740 -0.001 0.000 0.185 111 N C 2.368 177.861 175.510 -0.029 0.000 1.019 111 N CA 1.282 54.347 53.050 0.024 0.000 0.880 111 N CB -0.412 38.084 38.487 0.015 0.000 0.965 111 N HN 0.613 nan 8.380 nan 0.000 0.437 112 I N -2.510 117.964 120.570 -0.161 0.000 2.423 112 I HA -0.197 3.973 4.170 -0.001 0.000 0.254 112 I C 1.330 177.329 176.117 -0.196 0.000 1.151 112 I CA 1.270 62.412 61.300 -0.263 0.000 1.421 112 I CB -0.731 36.998 38.000 -0.452 0.000 1.079 112 I HN -0.208 nan 8.210 nan 0.000 0.431 113 F N 2.350 122.301 119.950 0.002 0.000 2.451 113 F HA 0.063 4.590 4.527 -0.001 0.000 0.299 113 F C 2.336 178.231 175.800 0.159 0.000 1.101 113 F CA 1.164 59.205 58.000 0.068 0.000 1.436 113 F CB -0.538 38.479 39.000 0.028 0.000 1.074 113 F HN 0.194 nan 8.300 nan 0.000 0.553 114 G N -1.324 107.608 108.800 0.220 0.000 3.377 114 G HA2 0.222 4.182 3.960 -0.001 0.000 0.257 114 G HA3 0.222 4.182 3.960 -0.001 0.000 0.257 114 G C 0.503 175.438 174.900 0.058 0.000 1.038 114 G CA -0.313 44.875 45.100 0.147 0.000 0.809 114 G HN 0.034 nan 8.290 nan 0.000 0.526 115 M N 0.683 120.294 119.600 0.018 0.000 2.239 115 M HA 0.181 4.660 4.480 -0.001 0.000 0.348 115 M C 1.282 177.554 176.300 -0.047 0.000 1.239 115 M CA 0.291 55.567 55.300 -0.041 0.000 1.114 115 M CB 1.245 33.785 32.600 -0.100 0.000 1.641 115 M HN -0.071 nan 8.290 nan 0.000 0.453 116 K N 1.192 121.552 120.400 -0.067 0.000 2.439 116 K HA -0.070 4.249 4.320 -0.001 0.000 0.197 116 K C 1.653 178.174 176.600 -0.131 0.000 1.041 116 K CA 0.751 56.999 56.287 -0.065 0.000 0.970 116 K CB 0.039 32.511 32.500 -0.046 0.000 0.773 116 K HN 0.488 nan 8.250 nan 0.000 0.479 117 R N 1.092 121.453 120.500 -0.231 0.000 2.323 117 R HA -0.020 4.320 4.340 -0.001 0.000 0.198 117 R C -0.141 176.012 176.300 -0.245 0.000 0.988 117 R CA 0.313 56.145 56.100 -0.446 0.000 1.041 117 R CB 0.277 30.263 30.300 -0.523 0.000 0.926 117 R HN -0.001 nan 8.270 nan 0.000 0.476 118 V N -2.744 117.106 119.914 -0.105 0.000 2.789 118 V HA 0.359 4.478 4.120 -0.001 0.000 0.311 118 V C 0.339 176.458 176.094 0.041 0.000 1.073 118 V CA -1.069 61.227 62.300 -0.006 0.000 0.921 118 V CB 2.077 33.908 31.823 0.013 0.000 1.009 118 V HN -0.048 nan 8.190 nan 0.000 0.426 119 K N 2.391 122.837 120.400 0.075 0.000 2.262 119 K HA 0.396 4.716 4.320 -0.001 0.000 0.200 119 K C 0.649 177.295 176.600 0.077 0.000 1.049 119 K CA 1.061 57.383 56.287 0.058 0.000 0.979 119 K CB 0.387 32.922 32.500 0.058 0.000 0.773 119 K HN 1.113 nan 8.250 nan 0.000 0.474 120 G N 0.978 109.891 108.800 0.187 0.000 2.759 120 G HA2 0.492 4.451 3.960 -0.001 0.000 0.297 120 G HA3 0.492 4.451 3.960 -0.001 0.000 0.297 120 G C -2.338 172.822 174.900 0.434 0.000 1.434 120 G CA -0.610 44.706 45.100 0.360 0.000 0.980 120 G HN 0.053 nan 8.290 nan 0.000 0.531 121 L N 1.251 122.838 121.223 0.606 0.000 2.491 121 L HA 0.709 5.048 4.340 -0.001 0.000 0.267 121 L C -0.385 176.709 176.870 0.374 0.000 0.971 121 L CA -0.759 54.306 54.840 0.374 0.000 0.857 121 L CB 1.736 43.940 42.059 0.242 0.000 1.226 121 L HN 0.613 nan 8.230 nan 0.000 0.408 122 R N 4.370 125.093 120.500 0.372 0.000 2.343 122 R HA 0.566 4.905 4.340 -0.001 0.000 0.320 122 R C -1.250 175.257 176.300 0.345 0.000 0.956 122 R CA -0.894 55.399 56.100 0.322 0.000 0.836 122 R CB 1.284 31.699 30.300 0.191 0.000 1.151 122 R HN 0.656 nan 8.270 nan 0.000 0.450 123 L N 5.086 126.508 121.223 0.332 0.000 2.407 123 L HA 0.147 4.487 4.340 -0.001 0.000 0.282 123 L C 0.592 177.471 176.870 0.016 0.000 1.110 123 L CA 0.646 55.508 54.840 0.037 0.000 0.863 123 L CB 0.806 42.898 42.059 0.055 0.000 1.207 123 L HN 0.757 nan 8.230 nan 0.000 0.454 124 E N 2.230 122.414 120.200 -0.026 0.000 2.122 124 E HA 0.047 4.397 4.350 -0.001 0.000 0.190 124 E C -0.044 176.603 176.600 0.078 0.000 0.977 124 E CA 0.581 57.001 56.400 0.032 0.000 0.820 124 E CB 0.283 30.027 29.700 0.073 0.000 0.770 124 E HN 0.704 nan 8.360 nan 0.000 0.462 125 D N -1.074 119.326 120.400 0.001 0.000 2.622 125 D HA 0.324 4.963 4.640 -0.001 0.000 0.255 125 D C -1.883 174.374 176.300 -0.072 0.000 1.246 125 D CA -0.667 53.377 54.000 0.073 0.000 0.795 125 D CB 1.534 42.427 40.800 0.156 0.000 1.369 125 D HN -0.165 nan 8.370 nan 0.000 0.425 126 L N 3.097 124.260 121.223 -0.100 0.000 2.457 126 L HA 0.394 4.733 4.340 -0.001 0.000 0.266 126 L C -1.573 175.141 176.870 -0.260 0.000 0.979 126 L CA -0.688 54.008 54.840 -0.240 0.000 0.857 126 L CB 1.072 42.845 42.059 -0.476 0.000 1.213 126 L HN 0.420 nan 8.230 nan 0.000 0.418 127 Y N 5.084 125.308 120.300 -0.126 0.000 2.327 127 Y HA 0.613 5.162 4.550 -0.001 0.000 0.336 127 Y C -1.235 174.741 175.900 0.126 0.000 1.035 127 Y CA -0.319 57.755 58.100 -0.044 0.000 1.165 127 Y CB 0.659 39.163 38.460 0.073 0.000 1.181 127 Y HN 0.394 nan 8.280 nan 0.000 0.494 128 F N 8.112 127.538 119.950 -0.872 0.000 2.444 128 F HA 0.444 4.971 4.527 -0.001 0.000 0.342 128 F C -2.142 173.069 175.800 -0.982 0.000 1.121 128 F CA -3.518 54.072 58.000 -0.684 0.000 0.997 128 F CB 1.198 39.966 39.000 -0.386 0.000 1.130 128 F HN 0.445 nan 8.300 nan 0.000 0.454 129 P HA 0.036 nan 4.420 nan 0.000 0.272 129 P C 0.714 177.935 177.300 -0.132 0.000 1.240 129 P CA -0.096 62.934 63.100 -0.117 0.000 0.791 129 P CB 1.076 32.839 31.700 0.104 0.000 0.978 130 E N 1.340 121.489 120.200 -0.085 0.000 2.130 130 E HA -0.264 4.085 4.350 -0.001 0.000 0.196 130 E C 1.794 178.210 176.600 -0.308 0.000 0.998 130 E CA 1.481 57.721 56.400 -0.265 0.000 0.806 130 E CB -0.107 29.279 29.700 -0.524 0.000 0.738 130 E HN 0.350 nan 8.360 nan 0.000 0.459 131 K N -0.069 120.147 120.400 -0.307 0.000 2.063 131 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 131 K C 2.109 178.511 176.600 -0.329 0.000 1.048 131 K CA 1.287 57.349 56.287 -0.375 0.000 0.928 131 K CB -0.030 32.102 32.500 -0.612 0.000 0.713 131 K HN 0.104 nan 8.250 nan 0.000 0.442 132 L N 0.948 121.982 121.223 -0.316 0.000 2.109 132 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 132 L C 2.107 178.937 176.870 -0.066 0.000 1.086 132 L CA 0.961 55.618 54.840 -0.305 0.000 0.760 132 L CB -0.342 41.380 42.059 -0.561 0.000 0.910 132 L HN 0.229 nan 8.230 nan 0.000 0.437 133 I N -0.215 120.347 120.570 -0.012 0.000 2.151 133 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 133 I C 2.301 178.503 176.117 0.142 0.000 1.080 133 I CA 1.515 62.897 61.300 0.137 0.000 1.339 133 I CB -0.997 37.052 38.000 0.081 0.000 1.039 133 I HN 0.330 nan 8.210 nan 0.000 0.409 134 R N 0.578 121.054 120.500 -0.040 0.000 2.339 134 R HA -0.076 4.263 4.340 -0.001 0.000 0.199 134 R C 1.488 177.744 176.300 -0.073 0.000 1.018 134 R CA 0.274 56.336 56.100 -0.062 0.000 1.036 134 R CB -0.113 30.094 30.300 -0.154 0.000 0.899 134 R HN 0.506 nan 8.270 nan 0.000 0.473 135 E N -0.428 119.705 120.200 -0.111 0.000 2.502 135 E HA 0.020 4.369 4.350 -0.001 0.000 0.194 135 E C -0.445 175.918 176.600 -0.394 0.000 1.062 135 E CA 0.298 56.530 56.400 -0.279 0.000 0.867 135 E CB 0.283 29.728 29.700 -0.424 0.000 0.888 135 E HN 0.093 nan 8.360 nan 0.000 0.510 136 F N -0.373 119.553 119.950 -0.040 0.000 2.541 136 F HA 0.231 4.757 4.527 -0.001 0.000 0.331 136 F C 1.243 177.048 175.800 0.008 0.000 1.057 136 F CA -0.871 57.131 58.000 0.003 0.000 0.975 136 F CB 1.250 40.276 39.000 0.043 0.000 1.246 136 F HN -0.231 nan 8.300 nan 0.000 0.484 137 D N 0.298 120.829 120.400 0.218 0.000 2.380 137 D HA 0.213 4.853 4.640 -0.001 0.000 0.212 137 D C 1.161 177.532 176.300 0.120 0.000 1.021 137 D CA 1.164 55.236 54.000 0.120 0.000 0.884 137 D CB 0.375 41.215 40.800 0.067 0.000 1.001 137 D HN 0.725 nan 8.370 nan 0.000 0.506 138 G N 1.680 110.572 108.800 0.154 0.000 2.752 138 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.234 138 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.234 138 G C -2.654 172.279 174.900 0.057 0.000 1.367 138 G CA -0.943 44.211 45.100 0.089 0.000 0.879 138 G HN 0.002 nan 8.290 nan 0.000 0.563 139 P HA 0.424 nan 4.420 nan 0.000 0.267 139 P C 0.740 178.057 177.300 0.029 0.000 1.205 139 P CA 0.817 63.939 63.100 0.037 0.000 0.765 139 P CB 1.001 32.712 31.700 0.019 0.000 0.828 140 A N 2.376 125.224 122.820 0.047 0.000 2.014 140 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 140 A C 1.283 178.752 177.584 -0.191 0.000 1.163 140 A CA 1.407 53.405 52.037 -0.065 0.000 0.652 140 A CB -1.038 17.922 19.000 -0.067 0.000 0.808 140 A HN 0.497 nan 8.150 nan 0.000 0.449 141 F N -1.262 118.666 119.950 -0.036 0.000 2.479 141 F HA 0.419 4.946 4.527 -0.001 0.000 0.280 141 F C 1.750 177.531 175.800 -0.033 0.000 0.982 141 F CA 0.712 58.694 58.000 -0.031 0.000 1.276 141 F CB -0.511 38.465 39.000 -0.039 0.000 1.137 141 F HN 0.428 nan 8.300 nan 0.000 0.660 142 G N 1.221 110.123 108.800 0.171 0.000 2.806 142 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.236 142 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.236 142 G C 0.765 175.664 174.900 -0.002 0.000 1.387 142 G CA -0.054 45.068 45.100 0.035 0.000 0.884 142 G HN 0.284 nan 8.290 nan 0.000 0.560 143 I N 0.590 121.026 120.570 -0.224 0.000 2.151 143 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 143 I C 2.781 178.778 176.117 -0.201 0.000 1.080 143 I CA 2.830 63.800 61.300 -0.551 0.000 1.339 143 I CB -0.363 37.160 38.000 -0.796 0.000 1.039 143 I HN 0.874 nan 8.210 nan 0.000 0.409 144 E N 1.167 121.305 120.200 -0.104 0.000 2.150 144 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 144 E C 2.115 178.756 176.600 0.069 0.000 0.985 144 E CA 1.412 57.800 56.400 -0.019 0.000 0.814 144 E CB -0.654 29.028 29.700 -0.030 0.000 0.752 144 E HN 0.407 nan 8.360 nan 0.000 0.466 145 G N 0.631 109.507 108.800 0.126 0.000 2.408 145 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.215 145 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.215 145 G C 1.665 176.767 174.900 0.336 0.000 1.156 145 G CA 0.733 45.991 45.100 0.264 0.000 0.793 145 G HN 0.214 nan 8.290 nan 0.000 0.535 146 V N 0.782 120.870 119.914 0.291 0.000 2.270 146 V HA -0.125 3.994 4.120 -0.001 0.000 0.245 146 V C 2.881 179.146 176.094 0.285 0.000 1.043 146 V CA 1.654 64.126 62.300 0.286 0.000 1.014 146 V CB -0.506 31.568 31.823 0.419 0.000 0.645 146 V HN 0.259 nan 8.190 nan 0.000 0.447 147 R N 0.358 121.038 120.500 0.300 0.000 2.096 147 R HA -0.267 4.072 4.340 -0.001 0.000 0.240 147 R C 2.437 178.835 176.300 0.163 0.000 1.139 147 R CA 2.170 58.410 56.100 0.233 0.000 0.952 147 R CB -0.473 29.929 30.300 0.170 0.000 0.854 147 R HN 0.516 nan 8.270 nan 0.000 0.436 148 K N 0.782 121.270 120.400 0.145 0.000 2.097 148 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 148 K C 2.198 178.877 176.600 0.131 0.000 1.050 148 K CA 1.234 57.593 56.287 0.119 0.000 0.938 148 K CB -0.085 32.476 32.500 0.103 0.000 0.718 148 K HN 0.094 nan 8.250 nan 0.000 0.442 149 M N 0.689 120.388 119.600 0.165 0.000 2.065 149 M HA -0.156 4.323 4.480 -0.001 0.000 0.259 149 M C 1.436 177.815 176.300 0.132 0.000 1.069 149 M CA 1.682 57.074 55.300 0.154 0.000 1.110 149 M CB -0.008 32.681 32.600 0.148 0.000 1.328 149 M HN 0.211 nan 8.290 nan 0.000 0.405 150 L N 0.173 121.482 121.223 0.144 0.000 2.591 150 L HA 0.064 4.403 4.340 -0.001 0.000 0.228 150 L C 0.043 176.974 176.870 0.100 0.000 1.133 150 L CA 0.065 54.979 54.840 0.123 0.000 0.880 150 L CB -0.529 41.612 42.059 0.136 0.000 1.033 150 L HN 0.394 nan 8.230 nan 0.000 0.450 151 E N 0.996 121.256 120.200 0.099 0.000 2.238 151 E HA -0.225 4.124 4.350 -0.001 0.000 0.219 151 E C -0.343 176.304 176.600 0.079 0.000 1.275 151 E CA 0.343 56.791 56.400 0.081 0.000 0.714 151 E CB -1.187 28.552 29.700 0.064 0.000 1.154 151 E HN 0.479 nan 8.360 nan 0.000 0.363 152 I N -0.519 120.109 120.570 0.098 0.000 2.437 152 I HA 0.178 4.347 4.170 -0.001 0.000 0.279 152 I C 1.279 177.459 176.117 0.105 0.000 1.028 152 I CA -0.155 61.203 61.300 0.096 0.000 1.142 152 I CB 1.163 39.227 38.000 0.107 0.000 1.266 152 I HN 0.158 nan 8.210 nan 0.000 0.461 153 K N 3.653 124.100 120.400 0.078 0.000 2.031 153 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 153 K C 1.094 177.737 176.600 0.070 0.000 1.049 153 K CA 1.761 58.089 56.287 0.068 0.000 0.939 153 K CB -0.160 32.369 32.500 0.048 0.000 0.717 153 K HN 0.682 nan 8.250 nan 0.000 0.438 154 D N -1.580 118.861 120.400 0.068 0.000 2.526 154 D HA 0.059 4.698 4.640 -0.001 0.000 0.293 154 D C 0.478 176.820 176.300 0.071 0.000 1.081 154 D CA -0.139 53.897 54.000 0.060 0.000 0.924 154 D CB 0.382 41.204 40.800 0.037 0.000 1.498 154 D HN 0.503 nan 8.370 nan 0.000 0.497 155 R N 2.151 122.688 120.500 0.063 0.000 2.679 155 R HA 0.371 4.710 4.340 -0.001 0.000 0.269 155 R C -2.686 173.664 176.300 0.085 0.000 1.076 155 R CA -1.137 54.995 56.100 0.053 0.000 1.160 155 R CB -0.805 29.512 30.300 0.028 0.000 1.054 155 R HN -0.236 nan 8.270 nan 0.000 0.507 156 P HA -0.013 nan 4.420 nan 0.000 0.267 156 P C -0.361 176.975 177.300 0.060 0.000 1.200 156 P CA -0.064 63.080 63.100 0.072 0.000 0.772 156 P CB 0.343 32.067 31.700 0.041 0.000 0.855 157 I N 2.580 123.155 120.570 0.009 0.000 2.575 157 I HA 0.122 4.291 4.170 -0.001 0.000 0.285 157 I C 0.126 176.323 176.117 0.133 0.000 1.085 157 I CA -0.265 61.057 61.300 0.037 0.000 1.403 157 I CB -0.645 37.304 38.000 -0.084 0.000 1.409 157 I HN 0.416 nan 8.210 nan 0.000 0.557 158 Y N 4.466 124.750 120.300 -0.027 0.000 2.425 158 Y HA 0.767 5.317 4.550 -0.001 0.000 0.344 158 Y C -0.238 175.344 175.900 -0.531 0.000 0.969 158 Y CA -0.796 57.207 58.100 -0.161 0.000 1.052 158 Y CB 1.880 40.247 38.460 -0.155 0.000 1.215 158 Y HN 0.712 nan 8.280 nan 0.000 0.451 159 G N 2.694 110.559 108.800 -1.558 0.000 2.608 159 G HA2 0.579 4.538 3.960 -0.001 0.000 0.291 159 G HA3 0.579 4.538 3.960 -0.001 0.000 0.291 159 G C -2.480 171.624 174.900 -1.326 0.000 1.425 159 G CA -0.826 42.814 45.100 -2.435 0.000 0.787 159 G HN 0.671 nan 8.290 nan 0.000 0.484 160 V N -0.129 119.235 119.914 -0.917 0.000 2.709 160 V HA 0.542 4.661 4.120 -0.001 0.000 0.308 160 V C -0.307 175.697 176.094 -0.149 0.000 1.062 160 V CA -0.766 61.300 62.300 -0.391 0.000 0.901 160 V CB 1.853 33.480 31.823 -0.326 0.000 1.003 160 V HN 0.649 nan 8.190 nan 0.000 0.425 161 V N 6.190 126.085 119.914 -0.031 0.000 2.364 161 V HA 0.312 4.432 4.120 -0.001 0.000 0.272 161 V C -2.249 173.865 176.094 0.033 0.000 1.036 161 V CA -1.946 60.385 62.300 0.051 0.000 0.880 161 V CB 1.383 33.263 31.823 0.095 0.000 0.991 161 V HN 0.737 nan 8.190 nan 0.000 0.460 162 P HA 0.101 nan 4.420 nan 0.000 0.261 162 P C -0.553 176.745 177.300 -0.002 0.000 1.183 162 P CA 0.213 63.270 63.100 -0.072 0.000 0.761 162 P CB 0.328 31.854 31.700 -0.290 0.000 0.785 163 K N 4.355 124.747 120.400 -0.014 0.000 2.270 163 K HA 0.499 4.818 4.320 -0.001 0.000 0.255 163 K C -2.406 174.211 176.600 0.027 0.000 0.936 163 K CA -2.153 54.161 56.287 0.045 0.000 0.809 163 K CB 0.754 33.282 32.500 0.048 0.000 1.131 163 K HN 0.226 nan 8.250 nan 0.000 0.427 164 P HA 0.182 nan 4.420 nan 0.000 0.270 164 P C 0.495 177.920 177.300 0.209 0.000 1.223 164 P CA -0.360 62.813 63.100 0.122 0.000 0.785 164 P CB 0.813 32.575 31.700 0.103 0.000 0.923 165 K N -0.005 120.478 120.400 0.138 0.000 2.020 165 K HA -0.059 4.261 4.320 -0.001 0.000 0.212 165 K C 0.942 177.627 176.600 0.142 0.000 1.050 165 K CA 1.628 57.996 56.287 0.136 0.000 0.929 165 K CB -0.466 32.072 32.500 0.063 0.000 0.714 165 K HN 0.461 nan 8.250 nan 0.000 0.443 166 V N -5.860 114.075 119.914 0.034 0.000 3.160 166 V HA 0.781 4.901 4.120 -0.001 0.000 0.310 166 V C 0.422 176.382 176.094 -0.223 0.000 1.181 166 V CA -0.388 61.830 62.300 -0.136 0.000 1.047 166 V CB 1.487 33.275 31.823 -0.058 0.000 1.068 166 V HN 0.431 nan 8.190 nan 0.000 0.441 167 G N 0.130 108.622 108.800 -0.514 0.000 2.184 167 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.206 167 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.206 167 G C -0.373 174.384 174.900 -0.237 0.000 0.995 167 G CA 0.280 45.071 45.100 -0.514 0.000 0.651 167 G HN 2.211 nan 8.290 nan 0.000 0.511 168 Y N 1.170 121.398 120.300 -0.121 0.000 2.528 168 Y HA 0.843 5.393 4.550 -0.001 0.000 0.335 168 Y C 0.430 176.333 175.900 0.005 0.000 1.093 168 Y CA -1.138 56.939 58.100 -0.038 0.000 1.134 168 Y CB 1.116 39.584 38.460 0.013 0.000 1.253 168 Y HN 0.530 nan 8.280 nan 0.000 0.478 169 S N 0.376 116.200 115.700 0.207 0.000 2.713 169 S HA 0.469 4.938 4.470 -0.001 0.000 0.283 169 S C -2.222 172.506 174.600 0.213 0.000 1.161 169 S CA -1.441 56.834 58.200 0.125 0.000 0.999 169 S CB 1.658 64.918 63.200 0.099 0.000 1.039 169 S HN 0.561 nan 8.310 nan 0.000 0.548 170 P HA -0.019 nan 4.420 nan 0.000 0.217 170 P C 0.863 178.268 177.300 0.175 0.000 1.150 170 P CA 1.150 64.344 63.100 0.157 0.000 0.832 170 P CB 0.001 31.733 31.700 0.053 0.000 0.787 171 E N -0.163 120.102 120.200 0.109 0.000 2.072 171 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 171 E C 1.945 178.581 176.600 0.060 0.000 0.985 171 E CA 1.125 57.561 56.400 0.061 0.000 0.801 171 E CB -0.646 29.079 29.700 0.041 0.000 0.750 171 E HN 0.396 nan 8.360 nan 0.000 0.452 172 E N -0.011 120.252 120.200 0.106 0.000 2.031 172 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 172 E C 1.821 178.464 176.600 0.072 0.000 0.994 172 E CA 0.931 57.381 56.400 0.084 0.000 0.800 172 E CB -0.274 29.498 29.700 0.120 0.000 0.752 172 E HN 0.190 nan 8.360 nan 0.000 0.447 173 F N 2.421 122.376 119.950 0.007 0.000 2.115 173 F HA -0.288 4.238 4.527 -0.001 0.000 0.300 173 F C 2.260 178.002 175.800 -0.097 0.000 1.092 173 F CA 2.124 60.083 58.000 -0.067 0.000 1.245 173 F CB -0.219 38.821 39.000 0.067 0.000 0.995 173 F HN -0.018 nan 8.300 nan 0.000 0.481 174 E N 0.055 120.143 120.200 -0.186 0.000 2.118 174 E HA -0.317 4.033 4.350 -0.001 0.000 0.195 174 E C 2.191 178.637 176.600 -0.257 0.000 0.992 174 E CA 1.564 57.790 56.400 -0.290 0.000 0.804 174 E CB -0.188 29.434 29.700 -0.131 0.000 0.741 174 E HN 0.307 nan 8.360 nan 0.000 0.458 175 K N 0.506 120.805 120.400 -0.169 0.000 2.007 175 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 175 K C 2.079 178.604 176.600 -0.126 0.000 1.047 175 K CA 1.140 57.361 56.287 -0.110 0.000 0.937 175 K CB -0.704 31.752 32.500 -0.073 0.000 0.718 175 K HN 0.208 nan 8.250 nan 0.000 0.438 176 L N 0.653 121.761 121.223 -0.192 0.000 2.013 176 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 176 L C 2.135 178.831 176.870 -0.290 0.000 1.073 176 L CA 2.346 57.059 54.840 -0.212 0.000 0.753 176 L CB -1.024 40.904 42.059 -0.219 0.000 0.890 176 L HN 0.275 nan 8.230 nan 0.000 0.432 177 A N -1.498 121.021 122.820 -0.502 0.000 1.877 177 A HA -0.303 4.016 4.320 -0.001 0.000 0.216 177 A C 2.318 179.717 177.584 -0.308 0.000 1.186 177 A CA 1.884 53.603 52.037 -0.529 0.000 0.620 177 A CB -1.281 17.160 19.000 -0.932 0.000 0.822 177 A HN 0.654 nan 8.150 nan 0.000 0.443 178 Y N 1.047 121.146 120.300 -0.334 0.000 2.181 178 Y HA -0.224 4.326 4.550 -0.001 0.000 0.288 178 Y C 1.892 177.686 175.900 -0.177 0.000 1.146 178 Y CA 2.012 59.976 58.100 -0.226 0.000 1.164 178 Y CB -0.169 38.176 38.460 -0.191 0.000 0.982 178 Y HN 0.343 nan 8.280 nan 0.000 0.515 179 D N 0.285 120.608 120.400 -0.129 0.000 2.084 179 D HA -0.191 4.448 4.640 -0.001 0.000 0.194 179 D C 2.322 178.484 176.300 -0.230 0.000 0.990 179 D CA 1.779 55.678 54.000 -0.169 0.000 0.826 179 D CB -0.495 40.260 40.800 -0.075 0.000 0.971 179 D HN 0.403 nan 8.370 nan 0.000 0.453 180 L N 0.305 121.399 121.223 -0.215 0.000 2.017 180 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 180 L C 2.598 179.328 176.870 -0.234 0.000 1.073 180 L CA 0.694 55.411 54.840 -0.204 0.000 0.745 180 L CB -0.340 41.586 42.059 -0.222 0.000 0.894 180 L HN 0.045 nan 8.230 nan 0.000 0.432 181 L N -1.184 119.872 121.223 -0.279 0.000 2.141 181 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 181 L C 2.541 179.255 176.870 -0.260 0.000 1.094 181 L CA 0.817 55.500 54.840 -0.262 0.000 0.763 181 L CB -0.375 41.536 42.059 -0.246 0.000 0.908 181 L HN 0.192 nan 8.230 nan 0.000 0.437 182 S N -0.528 114.956 115.700 -0.360 0.000 2.453 182 S HA -0.013 4.456 4.470 -0.001 0.000 0.231 182 S C 1.175 175.645 174.600 -0.217 0.000 1.005 182 S CA 0.614 58.595 58.200 -0.365 0.000 0.949 182 S CB -0.104 62.729 63.200 -0.611 0.000 0.774 182 S HN 0.444 nan 8.310 nan 0.000 0.510 183 N N 0.224 118.818 118.700 -0.176 0.000 2.389 183 N HA 0.270 5.010 4.740 -0.001 0.000 0.260 183 N C 0.803 176.282 175.510 -0.052 0.000 1.191 183 N CA 0.516 53.502 53.050 -0.106 0.000 0.885 183 N CB 1.307 39.734 38.487 -0.101 0.000 1.162 183 N HN 0.456 nan 8.380 nan 0.000 0.512 184 G N 0.828 109.599 108.800 -0.048 0.000 2.697 184 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.200 184 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.200 184 G C 0.269 175.192 174.900 0.038 0.000 1.106 184 G CA -0.180 44.932 45.100 0.021 0.000 0.748 184 G HN 0.495 nan 8.290 nan 0.000 0.503 185 A N 1.135 123.930 122.820 -0.041 0.000 2.598 185 A HA 0.373 4.692 4.320 -0.001 0.000 0.239 185 A C 1.239 178.646 177.584 -0.295 0.000 1.032 185 A CA 1.425 53.246 52.037 -0.359 0.000 0.760 185 A CB 0.082 18.782 19.000 -0.501 0.000 0.946 185 A HN 0.393 nan 8.150 nan 0.000 0.512 186 D N 0.174 120.365 120.400 -0.349 0.000 2.234 186 D HA 0.098 4.737 4.640 -0.001 0.000 0.205 186 D C 0.154 176.367 176.300 -0.145 0.000 0.962 186 D CA 2.034 55.941 54.000 -0.156 0.000 0.855 186 D CB 0.006 40.802 40.800 -0.007 0.000 0.951 186 D HN 0.776 nan 8.370 nan 0.000 0.500 187 Y N -2.219 117.834 120.300 -0.412 0.000 2.624 187 Y HA 0.490 5.040 4.550 -0.001 0.000 0.334 187 Y C -0.793 174.825 175.900 -0.469 0.000 1.155 187 Y CA -1.465 56.348 58.100 -0.479 0.000 1.046 187 Y CB 0.613 38.566 38.460 -0.844 0.000 1.316 187 Y HN -0.399 nan 8.280 nan 0.000 0.457 191 D N 1.070 121.511 120.400 0.067 0.000 2.400 191 D HA -0.020 4.619 4.640 -0.001 0.000 0.238 191 D C 1.468 177.702 176.300 -0.110 0.000 1.157 191 D CA 0.076 54.077 54.000 0.003 0.000 0.889 191 D CB 1.053 41.878 40.800 0.042 0.000 1.199 191 D HN 0.384 nan 8.370 nan 0.000 0.436 192 E N 2.027 122.060 120.200 -0.278 0.000 2.268 192 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 192 E C 0.685 177.164 176.600 -0.203 0.000 0.995 192 E CA 0.892 57.035 56.400 -0.428 0.000 0.836 192 E CB -0.334 28.783 29.700 -0.971 0.000 0.763 192 E HN 0.485 nan 8.360 nan 0.000 0.491 193 N N 0.951 119.579 118.700 -0.120 0.000 2.280 193 N HA 0.021 4.760 4.740 -0.001 0.000 0.192 193 N C 0.143 175.625 175.510 -0.047 0.000 1.109 193 N CA -0.299 52.712 53.050 -0.065 0.000 0.855 193 N CB -0.184 38.282 38.487 -0.034 0.000 0.974 193 N HN 0.104 nan 8.380 nan 0.000 0.482 194 L N 1.880 123.072 121.223 -0.051 0.000 2.261 194 L HA 0.399 4.738 4.340 -0.001 0.000 0.289 194 L C 0.737 177.581 176.870 -0.044 0.000 1.059 194 L CA 0.096 54.902 54.840 -0.056 0.000 0.816 194 L CB 0.757 42.783 42.059 -0.055 0.000 1.191 194 L HN 0.309 nan 8.230 nan 0.000 0.431 195 T N -0.209 114.305 114.554 -0.066 0.000 2.233 195 T HA 0.291 4.641 4.350 -0.001 0.000 0.172 195 T C 0.396 175.086 174.700 -0.017 0.000 0.740 195 T CA 0.189 62.273 62.100 -0.027 0.000 1.172 195 T CB 0.232 69.068 68.868 -0.054 0.000 2.941 195 T HN 0.304 nan 8.240 nan 0.000 0.398 196 S N 3.022 118.677 115.700 -0.075 0.000 2.399 196 S HA 0.454 4.923 4.470 -0.001 0.000 0.198 196 S C -2.667 171.817 174.600 -0.194 0.000 1.294 196 S CA -1.240 56.909 58.200 -0.085 0.000 1.237 196 S CB 0.053 63.261 63.200 0.013 0.000 1.286 196 S HN 0.515 nan 8.310 nan 0.000 0.404 197 P HA 0.160 nan 4.420 nan 0.000 0.275 197 P C 1.537 178.498 177.300 -0.566 0.000 1.266 197 P CA -0.657 62.108 63.100 -0.560 0.000 0.793 197 P CB 0.285 31.288 31.700 -1.161 0.000 1.074 198 W N 1.506 122.606 121.300 -0.334 0.000 2.342 198 W HA -0.238 4.422 4.660 -0.001 0.000 0.297 198 W C 1.562 177.993 176.519 -0.147 0.000 1.213 198 W CA 1.288 58.538 57.345 -0.159 0.000 1.251 198 W CB -2.096 27.347 29.460 -0.028 0.000 1.136 198 W HN 0.378 nan 8.180 nan 0.000 0.526 199 Y N 0.282 119.938 120.300 -1.072 0.000 2.583 199 Y HA 0.292 4.841 4.550 -0.001 0.000 0.293 199 Y C 0.680 176.299 175.900 -0.468 0.000 1.157 199 Y CA 0.686 58.188 58.100 -0.997 0.000 1.315 199 Y CB -1.003 36.564 38.460 -1.489 0.000 1.021 199 Y HN -0.102 nan 8.280 nan 0.000 0.536 200 N N 1.168 119.514 118.700 -0.591 0.000 2.946 200 N HA 0.082 4.821 4.740 -0.001 0.000 0.213 200 N C -1.450 173.884 175.510 -0.293 0.000 1.440 200 N CA -0.263 52.571 53.050 -0.361 0.000 0.745 200 N CB 0.612 38.867 38.487 -0.386 0.000 1.471 200 N HN 0.067 nan 8.380 nan 0.000 0.569 201 R N 1.437 121.843 120.500 -0.158 0.000 2.537 201 R HA 0.074 4.414 4.340 -0.001 0.000 0.280 201 R C 1.374 177.683 176.300 0.014 0.000 1.058 201 R CA -0.300 55.768 56.100 -0.054 0.000 1.057 201 R CB 0.137 30.437 30.300 0.001 0.000 0.973 201 R HN 0.457 nan 8.270 nan 0.000 0.438 202 F N 3.457 123.377 119.950 -0.050 0.000 2.063 202 F HA -0.354 4.173 4.527 -0.001 0.000 0.298 202 F C 2.435 178.284 175.800 0.082 0.000 1.109 202 F CA 2.886 60.904 58.000 0.030 0.000 1.212 202 F CB -0.041 38.971 39.000 0.020 0.000 0.973 202 F HN 0.738 nan 8.300 nan 0.000 0.480 203 E N 0.106 120.462 120.200 0.260 0.000 2.204 203 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 203 E C 1.867 178.482 176.600 0.024 0.000 0.989 203 E CA 1.495 57.997 56.400 0.169 0.000 0.824 203 E CB -0.922 28.883 29.700 0.174 0.000 0.756 203 E HN 0.752 nan 8.360 nan 0.000 0.477 204 E N -0.439 119.759 120.200 -0.004 0.000 2.072 204 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 204 E C 2.514 179.057 176.600 -0.095 0.000 0.982 204 E CA 0.613 56.992 56.400 -0.034 0.000 0.803 204 E CB -0.058 29.631 29.700 -0.019 0.000 0.755 204 E HN 0.347 nan 8.360 nan 0.000 0.453 205 R N 0.454 120.855 120.500 -0.165 0.000 2.083 205 R HA -0.154 4.185 4.340 -0.001 0.000 0.237 205 R C 2.359 178.366 176.300 -0.489 0.000 1.137 205 R CA 1.306 57.222 56.100 -0.307 0.000 0.951 205 R CB -0.364 29.698 30.300 -0.396 0.000 0.851 205 R HN 0.121 nan 8.270 nan 0.000 0.434 206 A N 1.276 123.869 122.820 -0.380 0.000 1.898 206 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 206 A C 1.960 179.462 177.584 -0.138 0.000 1.181 206 A CA 1.184 53.079 52.037 -0.235 0.000 0.620 206 A CB -0.241 18.777 19.000 0.030 0.000 0.819 206 A HN 0.215 nan 8.150 nan 0.000 0.442 207 E N -0.099 120.049 120.200 -0.087 0.000 2.077 207 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 207 E C 1.999 178.548 176.600 -0.084 0.000 0.989 207 E CA 1.087 57.457 56.400 -0.051 0.000 0.800 207 E CB -0.355 29.329 29.700 -0.026 0.000 0.746 207 E HN 0.721 nan 8.360 nan 0.000 0.452 208 I N 0.600 121.097 120.570 -0.122 0.000 2.202 208 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 208 I C 2.442 178.450 176.117 -0.181 0.000 1.091 208 I CA 0.831 62.055 61.300 -0.126 0.000 1.368 208 I CB -0.138 37.810 38.000 -0.087 0.000 1.058 208 I HN 0.104 nan 8.210 nan 0.000 0.410 209 M N 0.195 119.616 119.600 -0.298 0.000 2.132 209 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 209 M C 2.586 178.805 176.300 -0.135 0.000 1.065 209 M CA 1.771 56.871 55.300 -0.333 0.000 1.122 209 M CB -1.408 30.746 32.600 -0.744 0.000 1.365 209 M HN 0.266 nan 8.290 nan 0.000 0.411 210 A N 0.262 123.038 122.820 -0.074 0.000 1.908 210 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 210 A C 2.322 179.898 177.584 -0.014 0.000 1.181 210 A CA 2.228 54.267 52.037 0.003 0.000 0.627 210 A CB -0.710 18.305 19.000 0.025 0.000 0.818 210 A HN 0.538 nan 8.150 nan 0.000 0.445 211 K N -0.401 119.975 120.400 -0.041 0.000 2.057 211 K HA -0.035 4.284 4.320 -0.001 0.000 0.206 211 K C 1.790 178.371 176.600 -0.033 0.000 1.050 211 K CA 1.543 57.808 56.287 -0.036 0.000 0.935 211 K CB -0.271 32.198 32.500 -0.052 0.000 0.715 211 K HN 0.483 nan 8.250 nan 0.000 0.439 212 I N 0.872 121.408 120.570 -0.056 0.000 2.546 212 I HA -0.199 3.970 4.170 -0.001 0.000 0.255 212 I C 2.139 178.252 176.117 -0.007 0.000 1.163 212 I CA 0.723 62.007 61.300 -0.027 0.000 1.457 212 I CB -0.057 37.889 38.000 -0.091 0.000 1.092 212 I HN 0.221 nan 8.210 nan 0.000 0.434 213 I N 0.647 121.205 120.570 -0.020 0.000 2.233 213 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 213 I C 2.026 178.153 176.117 0.017 0.000 1.093 213 I CA 1.348 62.649 61.300 0.003 0.000 1.380 213 I CB -0.341 37.680 38.000 0.035 0.000 1.067 213 I HN 0.163 nan 8.210 nan 0.000 0.413 214 D N 0.739 121.151 120.400 0.020 0.000 2.182 214 D HA -0.224 4.415 4.640 -0.001 0.000 0.201 214 D C 2.008 178.323 176.300 0.025 0.000 0.986 214 D CA 1.202 55.215 54.000 0.023 0.000 0.847 214 D CB -0.092 40.719 40.800 0.019 0.000 0.942 214 D HN 0.309 nan 8.370 nan 0.000 0.467 215 K N 0.420 120.840 120.400 0.034 0.000 2.005 215 K HA -0.055 4.265 4.320 -0.001 0.000 0.206 215 K C 1.961 178.603 176.600 0.071 0.000 1.044 215 K CA 0.702 57.026 56.287 0.062 0.000 0.942 215 K CB -0.019 32.538 32.500 0.094 0.000 0.727 215 K HN -0.130 nan 8.250 nan 0.000 0.439 216 V N 2.140 122.084 119.914 0.051 0.000 2.469 216 V HA -0.219 3.900 4.120 -0.001 0.000 0.251 216 V C 2.025 178.105 176.094 -0.023 0.000 1.064 216 V CA 1.905 64.186 62.300 -0.032 0.000 1.066 216 V CB -0.515 31.235 31.823 -0.121 0.000 0.667 216 V HN 0.390 nan 8.190 nan 0.000 0.461 217 E N 0.573 120.772 120.200 -0.002 0.000 2.047 217 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 217 E C 2.381 178.988 176.600 0.011 0.000 0.987 217 E CA 1.363 57.766 56.400 0.006 0.000 0.799 217 E CB -0.450 29.261 29.700 0.019 0.000 0.752 217 E HN 0.819 nan 8.360 nan 0.000 0.449 218 N N 1.511 120.221 118.700 0.017 0.000 2.244 218 N HA -0.196 4.543 4.740 -0.001 0.000 0.183 218 N C 1.684 177.203 175.510 0.016 0.000 1.016 218 N CA 1.388 54.449 53.050 0.018 0.000 0.866 218 N CB -0.485 38.014 38.487 0.020 0.000 0.980 218 N HN 0.231 nan 8.380 nan 0.000 0.430 219 E N -0.796 119.415 120.200 0.018 0.000 2.122 219 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 219 E C 2.050 178.647 176.600 -0.004 0.000 0.977 219 E CA 1.630 58.040 56.400 0.015 0.000 0.820 219 E CB 0.105 29.827 29.700 0.036 0.000 0.770 219 E HN 0.841 nan 8.360 nan 0.000 0.462 220 T N -3.758 110.786 114.554 -0.017 0.000 3.001 220 T HA 0.276 4.625 4.350 -0.001 0.000 0.251 220 T C 1.613 176.307 174.700 -0.009 0.000 1.040 220 T CA 0.417 62.503 62.100 -0.023 0.000 0.985 220 T CB 0.832 69.672 68.868 -0.046 0.000 1.011 220 T HN 0.247 nan 8.240 nan 0.000 0.509 221 G N 1.601 110.400 108.800 -0.001 0.000 2.196 221 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.268 221 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.268 221 G C 0.001 174.907 174.900 0.010 0.000 0.975 221 G CA 0.610 45.715 45.100 0.007 0.000 0.648 221 G HN 0.672 nan 8.290 nan 0.000 0.538 222 E N -0.038 120.163 120.200 0.002 0.000 2.405 222 E HA 0.520 4.869 4.350 -0.001 0.000 0.253 222 E C 0.123 176.732 176.600 0.015 0.000 1.257 222 E CA -0.385 56.019 56.400 0.007 0.000 0.960 222 E CB 0.451 30.147 29.700 -0.006 0.000 1.077 222 E HN 0.033 nan 8.360 nan 0.000 0.512 223 K N 1.211 121.627 120.400 0.026 0.000 2.221 223 K HA 0.423 4.742 4.320 -0.001 0.000 0.258 223 K C -0.461 176.161 176.600 0.036 0.000 0.944 223 K CA -0.742 55.569 56.287 0.040 0.000 0.823 223 K CB 1.545 34.083 32.500 0.062 0.000 1.113 223 K HN 0.258 nan 8.250 nan 0.000 0.431 224 K N 0.495 120.919 120.400 0.040 0.000 2.433 224 K HA 0.608 4.928 4.320 -0.001 0.000 0.252 224 K C -0.214 176.436 176.600 0.082 0.000 1.015 224 K CA -0.728 55.578 56.287 0.031 0.000 0.860 224 K CB 2.113 34.606 32.500 -0.012 0.000 1.359 224 K HN 0.666 nan 8.250 nan 0.000 0.452 225 T N -0.835 113.771 114.554 0.087 0.000 2.711 225 T HA 0.583 4.932 4.350 -0.001 0.000 0.302 225 T C -2.158 172.646 174.700 0.174 0.000 1.373 225 T CA -0.586 61.612 62.100 0.164 0.000 1.000 225 T CB 0.804 69.808 68.868 0.228 0.000 1.483 225 T HN 0.519 nan 8.240 nan 0.000 0.499 226 W N 3.089 124.403 121.300 0.024 0.000 2.968 226 W HA 0.646 5.305 4.660 -0.001 0.000 0.337 226 W C -2.216 174.409 176.519 0.177 0.000 1.060 226 W CA -1.882 55.462 57.345 -0.001 0.000 1.240 226 W CB 0.800 30.286 29.460 0.044 0.000 1.370 226 W HN 0.416 nan 8.180 nan 0.000 0.459 227 F N 5.876 125.591 119.950 -0.393 0.000 2.464 227 F HA 0.511 5.038 4.527 -0.001 0.000 0.353 227 F C 0.873 176.177 175.800 -0.825 0.000 1.191 227 F CA -1.436 56.234 58.000 -0.549 0.000 1.147 227 F CB -0.473 38.205 39.000 -0.537 0.000 1.294 227 F HN 0.450 nan 8.300 nan 0.000 0.583 228 A N 3.208 125.477 122.820 -0.919 0.000 2.302 228 A HA 0.304 4.624 4.320 -0.001 0.000 0.295 228 A C 0.391 177.835 177.584 -0.235 0.000 1.235 228 A CA -0.629 50.750 52.037 -1.096 0.000 0.876 228 A CB -0.039 17.972 19.000 -1.648 0.000 1.133 228 A HN 0.545 nan 8.150 nan 0.000 0.533 229 N N 2.779 121.454 118.700 -0.042 0.000 2.402 229 N HA 0.093 4.832 4.740 -0.001 0.000 0.259 229 N C 0.857 176.419 175.510 0.085 0.000 1.167 229 N CA -0.304 52.763 53.050 0.028 0.000 0.949 229 N CB 0.162 38.653 38.487 0.005 0.000 1.212 229 N HN 0.643 nan 8.380 nan 0.000 0.493 230 I N -0.263 120.276 120.570 -0.052 0.000 3.578 230 I HA 0.149 4.319 4.170 -0.001 0.000 0.295 230 I C 0.066 176.070 176.117 -0.189 0.000 1.280 230 I CA -0.164 60.986 61.300 -0.250 0.000 1.347 230 I CB -0.466 37.384 38.000 -0.249 0.000 1.051 230 I HN 0.101 nan 8.210 nan 0.000 0.460 231 T N 3.558 118.044 114.554 -0.113 0.000 2.765 231 T HA 0.325 4.674 4.350 -0.001 0.000 0.275 231 T C 0.165 174.809 174.700 -0.093 0.000 1.007 231 T CA 0.856 62.899 62.100 -0.095 0.000 1.175 231 T CB -0.039 68.781 68.868 -0.081 0.000 0.993 231 T HN 0.729 nan 8.240 nan 0.000 0.510 232 A N 3.675 126.446 122.820 -0.082 0.000 2.428 232 A HA 0.502 4.822 4.320 -0.001 0.000 0.304 232 A C -1.123 176.432 177.584 -0.049 0.000 1.085 232 A CA -1.008 50.987 52.037 -0.070 0.000 0.605 232 A CB 0.499 19.442 19.000 -0.096 0.000 1.393 232 A HN 0.614 nan 8.150 nan 0.000 0.541 233 D N -0.154 120.223 120.400 -0.038 0.000 2.362 233 D HA 0.200 4.839 4.640 -0.001 0.000 0.238 233 D C 1.419 177.707 176.300 -0.019 0.000 1.212 233 D CA -0.040 53.946 54.000 -0.022 0.000 0.902 233 D CB 0.836 41.627 40.800 -0.016 0.000 1.180 233 D HN 0.500 nan 8.370 nan 0.000 0.445 234 L N 1.726 122.949 121.223 -0.001 0.000 1.990 234 L HA -0.224 4.115 4.340 -0.001 0.000 0.213 234 L C 2.264 179.151 176.870 0.029 0.000 1.072 234 L CA 1.704 56.558 54.840 0.024 0.000 0.755 234 L CB -0.533 41.543 42.059 0.028 0.000 0.889 234 L HN 0.456 nan 8.230 nan 0.000 0.432 235 L N -1.049 120.183 121.223 0.014 0.000 2.083 235 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 235 L C 2.492 179.359 176.870 -0.005 0.000 1.083 235 L CA 1.280 56.131 54.840 0.017 0.000 0.752 235 L CB -0.618 41.446 42.059 0.008 0.000 0.899 235 L HN 0.282 nan 8.230 nan 0.000 0.433 236 E N -0.161 120.020 120.200 -0.032 0.000 2.072 236 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 236 E C 2.302 178.830 176.600 -0.121 0.000 0.985 236 E CA 1.175 57.531 56.400 -0.074 0.000 0.801 236 E CB -0.133 29.518 29.700 -0.081 0.000 0.750 236 E HN 0.362 nan 8.360 nan 0.000 0.452 237 M N 0.119 119.663 119.600 -0.094 0.000 2.108 237 M HA -0.196 4.283 4.480 -0.001 0.000 0.261 237 M C 1.997 178.249 176.300 -0.080 0.000 1.066 237 M CA 1.500 56.731 55.300 -0.114 0.000 1.107 237 M CB -0.396 32.168 32.600 -0.061 0.000 1.356 237 M HN 0.124 nan 8.290 nan 0.000 0.406 238 E N 0.258 120.455 120.200 -0.004 0.000 2.058 238 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 238 E C 2.067 178.674 176.600 0.011 0.000 0.997 238 E CA 1.307 57.736 56.400 0.049 0.000 0.801 238 E CB -0.187 29.577 29.700 0.107 0.000 0.746 238 E HN 0.590 nan 8.360 nan 0.000 0.450 239 Q N 0.276 120.057 119.800 -0.032 0.000 2.084 239 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 239 Q C 2.210 178.145 176.000 -0.108 0.000 0.978 239 Q CA 1.220 56.994 55.803 -0.048 0.000 0.844 239 Q CB -0.073 28.634 28.738 -0.051 0.000 0.898 239 Q HN 0.174 nan 8.270 nan 0.000 0.426 240 R N 0.164 120.527 120.500 -0.229 0.000 2.090 240 R HA -0.048 4.291 4.340 -0.001 0.000 0.228 240 R C 2.310 178.487 176.300 -0.205 0.000 1.110 240 R CA 0.822 56.662 56.100 -0.434 0.000 0.973 240 R CB -0.241 29.475 30.300 -0.973 0.000 0.869 240 R HN 0.211 nan 8.270 nan 0.000 0.440 241 L N 0.695 121.830 121.223 -0.146 0.000 2.042 241 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 241 L C 2.628 179.312 176.870 -0.310 0.000 1.076 241 L CA 1.515 56.296 54.840 -0.099 0.000 0.749 241 L CB -0.422 41.675 42.059 0.065 0.000 0.893 241 L HN 0.301 nan 8.230 nan 0.000 0.432 242 E N 0.025 120.055 120.200 -0.284 0.000 2.072 242 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 242 E C 2.267 178.738 176.600 -0.217 0.000 0.985 242 E CA 1.279 57.443 56.400 -0.392 0.000 0.801 242 E CB 0.122 29.747 29.700 -0.125 0.000 0.750 242 E HN 0.237 nan 8.360 nan 0.000 0.452 243 V N 1.440 121.320 119.914 -0.057 0.000 2.324 243 V HA -0.301 3.819 4.120 -0.001 0.000 0.250 243 V C 2.454 178.594 176.094 0.076 0.000 1.060 243 V CA 1.686 64.025 62.300 0.065 0.000 1.042 243 V CB -0.438 31.523 31.823 0.231 0.000 0.650 243 V HN 0.354 nan 8.190 nan 0.000 0.450 244 L N -0.248 121.023 121.223 0.081 0.000 2.017 244 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 244 L C 2.737 179.596 176.870 -0.018 0.000 1.073 244 L CA 1.644 56.532 54.840 0.080 0.000 0.745 244 L CB -0.846 41.258 42.059 0.075 0.000 0.894 244 L HN 0.361 nan 8.230 nan 0.000 0.432 245 A N -0.209 122.506 122.820 -0.176 0.000 1.902 245 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 245 A C 1.906 179.441 177.584 -0.081 0.000 1.181 245 A CA 1.989 53.915 52.037 -0.185 0.000 0.623 245 A CB -0.538 18.153 19.000 -0.515 0.000 0.818 245 A HN 0.355 nan 8.150 nan 0.000 0.443 246 D N -0.097 120.251 120.400 -0.086 0.000 2.178 246 D HA -0.080 4.560 4.640 -0.001 0.000 0.201 246 D C 1.566 177.874 176.300 0.014 0.000 0.980 246 D CA 0.909 54.897 54.000 -0.021 0.000 0.842 246 D CB -0.216 40.576 40.800 -0.014 0.000 0.948 246 D HN 0.458 nan 8.370 nan 0.000 0.472 247 L N -0.587 120.653 121.223 0.029 0.000 2.591 247 L HA 0.179 4.519 4.340 -0.001 0.000 0.228 247 L C 1.376 178.279 176.870 0.056 0.000 1.133 247 L CA 0.203 55.073 54.840 0.049 0.000 0.880 247 L CB -0.098 42.006 42.059 0.075 0.000 1.033 247 L HN 0.073 nan 8.230 nan 0.000 0.450 248 G N 0.753 109.582 108.800 0.048 0.000 2.203 248 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.263 248 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.263 248 G C 0.314 175.260 174.900 0.077 0.000 1.012 248 G CA 0.185 45.320 45.100 0.058 0.000 0.749 248 G HN 0.265 nan 8.290 nan 0.000 0.512 249 L N -0.815 120.464 121.223 0.095 0.000 2.475 249 L HA 0.477 4.816 4.340 -0.001 0.000 0.250 249 L C 1.763 178.686 176.870 0.088 0.000 1.224 249 L CA 0.561 55.481 54.840 0.133 0.000 0.821 249 L CB 0.464 42.651 42.059 0.212 0.000 1.141 249 L HN 0.330 nan 8.230 nan 0.000 0.494 250 K N -1.106 119.350 120.400 0.093 0.000 2.554 250 K HA 0.266 4.585 4.320 -0.001 0.000 0.211 250 K C -0.463 176.013 176.600 -0.207 0.000 1.226 250 K CA -0.337 55.932 56.287 -0.031 0.000 1.025 250 K CB 0.588 33.073 32.500 -0.026 0.000 1.021 250 K HN 0.521 nan 8.250 nan 0.000 0.600 251 H N 0.534 119.563 119.070 -0.068 0.000 2.717 251 H HA 0.605 5.160 4.556 -0.001 0.000 0.366 251 H C -1.391 173.839 175.328 -0.163 0.000 1.132 251 H CA -0.342 55.620 56.048 -0.142 0.000 1.180 251 H CB 2.287 32.015 29.762 -0.056 0.000 1.678 251 H HN 0.318 nan 8.280 nan 0.000 0.537 252 A N 3.492 126.268 122.820 -0.072 0.000 2.343 252 A HA 0.484 4.803 4.320 -0.001 0.000 0.308 252 A C -0.653 176.875 177.584 -0.093 0.000 1.092 252 A CA -0.757 51.227 52.037 -0.088 0.000 0.751 252 A CB 0.766 19.728 19.000 -0.065 0.000 1.203 252 A HN 0.735 nan 8.150 nan 0.000 0.452 253 M N 3.631 123.173 119.600 -0.096 0.000 2.264 253 M HA 0.683 5.163 4.480 -0.001 0.000 0.352 253 M C -1.736 174.528 176.300 -0.060 0.000 1.173 253 M CA -0.254 55.018 55.300 -0.046 0.000 1.075 253 M CB 1.091 33.687 32.600 -0.007 0.000 1.621 253 M HN 0.384 nan 8.290 nan 0.000 0.457 254 V N 3.649 123.520 119.914 -0.072 0.000 2.686 254 V HA 0.290 4.409 4.120 -0.001 0.000 0.306 254 V C -1.216 174.810 176.094 -0.113 0.000 1.065 254 V CA -0.890 61.349 62.300 -0.103 0.000 0.894 254 V CB 2.208 33.953 31.823 -0.130 0.000 1.004 254 V HN 0.770 nan 8.190 nan 0.000 0.424 255 D N 3.126 123.465 120.400 -0.102 0.000 2.435 255 D HA 0.141 4.780 4.640 -0.001 0.000 0.230 255 D C 1.239 177.448 176.300 -0.153 0.000 1.215 255 D CA 0.066 54.012 54.000 -0.089 0.000 0.947 255 D CB 1.432 42.191 40.800 -0.067 0.000 1.048 255 D HN 0.467 nan 8.370 nan 0.000 0.512 256 V N 0.678 120.431 119.914 -0.268 0.000 2.427 256 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 256 V C 1.883 177.777 176.094 -0.334 0.000 1.051 256 V CA 0.929 62.981 62.300 -0.413 0.000 1.048 256 V CB -0.664 30.647 31.823 -0.853 0.000 0.666 256 V HN 0.280 nan 8.190 nan 0.000 0.456 257 V N 0.489 120.277 119.914 -0.210 0.000 2.307 257 V HA -0.157 3.963 4.120 -0.001 0.000 0.245 257 V C 2.529 178.593 176.094 -0.049 0.000 1.045 257 V CA 2.432 64.702 62.300 -0.051 0.000 1.024 257 V CB -0.518 31.369 31.823 0.107 0.000 0.651 257 V HN 0.442 nan 8.190 nan 0.000 0.449 258 I N -0.043 120.505 120.570 -0.037 0.000 2.179 258 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 258 I C 2.588 178.671 176.117 -0.057 0.000 1.088 258 I CA 1.860 63.145 61.300 -0.025 0.000 1.357 258 I CB -0.635 37.354 38.000 -0.019 0.000 1.051 258 I HN 0.296 nan 8.210 nan 0.000 0.409 259 T N 0.232 114.731 114.554 -0.092 0.000 2.665 259 T HA -0.007 4.342 4.350 -0.001 0.000 0.268 259 T C 0.916 175.561 174.700 -0.092 0.000 1.035 259 T CA 1.378 63.426 62.100 -0.087 0.000 1.151 259 T CB -0.581 68.225 68.868 -0.104 0.000 0.862 259 T HN 0.706 nan 8.240 nan 0.000 0.438 260 G N -0.902 107.787 108.800 -0.185 0.000 2.661 260 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.685 260 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.685 260 G C 0.071 174.838 174.900 -0.221 0.000 1.298 260 G CA -0.242 44.715 45.100 -0.238 0.000 0.855 260 G HN 0.370 nan 8.290 nan 0.000 0.560 261 W N 0.402 121.764 121.300 0.103 0.000 2.518 261 W HA 0.247 4.907 4.660 -0.001 0.000 0.273 261 W C 2.546 179.117 176.519 0.087 0.000 1.247 261 W CA 1.027 58.434 57.345 0.105 0.000 1.288 261 W CB -0.130 29.374 29.460 0.074 0.000 1.107 261 W HN 0.942 nan 8.180 nan 0.000 0.586 262 G N 0.595 109.545 108.800 0.250 0.000 2.442 262 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.219 262 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.219 262 G C 1.466 176.445 174.900 0.131 0.000 1.141 262 G CA 1.383 46.581 45.100 0.164 0.000 0.763 262 G HN 0.300 nan 8.290 nan 0.000 0.554 263 A N -1.106 121.787 122.820 0.123 0.000 2.508 263 A HA 0.543 4.862 4.320 -0.001 0.000 0.250 263 A C 1.767 179.450 177.584 0.164 0.000 1.208 263 A CA -0.001 52.116 52.037 0.135 0.000 0.960 263 A CB 0.117 19.178 19.000 0.102 0.000 1.099 263 A HN 0.227 nan 8.150 nan 0.000 0.542 264 L N 0.619 121.926 121.223 0.140 0.000 2.046 264 L HA -0.035 4.305 4.340 -0.001 0.000 0.208 264 L C 2.322 179.276 176.870 0.140 0.000 1.077 264 L CA 2.337 57.246 54.840 0.114 0.000 0.747 264 L CB -0.688 41.443 42.059 0.120 0.000 0.896 264 L HN 0.544 nan 8.230 nan 0.000 0.432 265 R N -2.048 118.565 120.500 0.188 0.000 2.081 265 R HA -0.259 4.080 4.340 -0.001 0.000 0.235 265 R C 2.422 178.802 176.300 0.135 0.000 1.131 265 R CA 1.807 58.007 56.100 0.167 0.000 0.960 265 R CB -0.636 29.766 30.300 0.170 0.000 0.856 265 R HN 0.442 nan 8.270 nan 0.000 0.436 266 Y N 0.887 121.212 120.300 0.042 0.000 2.145 266 Y HA -0.207 4.343 4.550 -0.001 0.000 0.286 266 Y C 1.873 177.779 175.900 0.010 0.000 1.145 266 Y CA 1.521 59.631 58.100 0.017 0.000 1.148 266 Y CB -0.146 38.322 38.460 0.014 0.000 0.981 266 Y HN 0.027 nan 8.280 nan 0.000 0.507 267 I N 0.934 121.474 120.570 -0.050 0.000 2.208 267 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 267 I C 2.660 178.697 176.117 -0.133 0.000 1.097 267 I CA 1.653 62.875 61.300 -0.131 0.000 1.363 267 I CB -1.314 36.676 38.000 -0.018 0.000 1.051 267 I HN 0.328 nan 8.210 nan 0.000 0.413 268 R N 1.255 121.720 120.500 -0.058 0.000 2.073 268 R HA -0.194 4.146 4.340 -0.001 0.000 0.234 268 R C 1.719 177.980 176.300 -0.065 0.000 1.134 268 R CA 1.938 58.018 56.100 -0.033 0.000 0.952 268 R CB -0.460 29.857 30.300 0.028 0.000 0.850 268 R HN 0.289 nan 8.270 nan 0.000 0.433 269 D N 1.002 121.346 120.400 -0.093 0.000 2.123 269 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 269 D C 1.921 178.096 176.300 -0.208 0.000 0.992 269 D CA 0.927 54.855 54.000 -0.119 0.000 0.833 269 D CB -0.310 40.433 40.800 -0.095 0.000 0.954 269 D HN 0.154 nan 8.370 nan 0.000 0.455 270 L N 0.857 121.872 121.223 -0.346 0.000 2.046 270 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 270 L C 2.148 178.868 176.870 -0.250 0.000 1.077 270 L CA 1.727 56.317 54.840 -0.417 0.000 0.747 270 L CB -0.808 40.933 42.059 -0.530 0.000 0.896 270 L HN -0.015 nan 8.230 nan 0.000 0.432 271 A N -0.891 121.875 122.820 -0.090 0.000 1.933 271 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 271 A C 2.430 180.049 177.584 0.057 0.000 1.175 271 A CA 1.651 53.716 52.037 0.046 0.000 0.628 271 A CB -1.012 17.997 19.000 0.015 0.000 0.814 271 A HN 0.537 nan 8.150 nan 0.000 0.444 272 A N 0.241 123.061 122.820 0.001 0.000 1.877 272 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 272 A C 1.754 179.331 177.584 -0.011 0.000 1.186 272 A CA 1.864 53.915 52.037 0.023 0.000 0.620 272 A CB -0.631 18.362 19.000 -0.013 0.000 0.822 272 A HN 0.432 nan 8.150 nan 0.000 0.443 273 D N -1.304 119.030 120.400 -0.109 0.000 2.182 273 D HA -0.142 4.497 4.640 -0.001 0.000 0.201 273 D C 1.328 177.574 176.300 -0.090 0.000 0.986 273 D CA 1.224 55.131 54.000 -0.156 0.000 0.847 273 D CB -0.348 40.274 40.800 -0.297 0.000 0.942 273 D HN 0.572 nan 8.370 nan 0.000 0.467 274 Y N -0.067 120.234 120.300 0.001 0.000 2.546 274 Y HA 0.234 4.784 4.550 -0.001 0.000 0.287 274 Y C 1.792 177.721 175.900 0.048 0.000 1.158 274 Y CA 0.388 58.498 58.100 0.016 0.000 1.307 274 Y CB -0.092 38.370 38.460 0.003 0.000 1.036 274 Y HN 0.018 nan 8.280 nan 0.000 0.532 275 G N 0.700 109.629 108.800 0.215 0.000 2.212 275 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.255 275 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.255 275 G C -0.403 174.662 174.900 0.274 0.000 1.062 275 G CA 0.017 45.271 45.100 0.256 0.000 0.815 275 G HN 0.258 nan 8.290 nan 0.000 0.497 276 L N -0.011 121.325 121.223 0.189 0.000 2.329 276 L HA 0.811 5.150 4.340 -0.001 0.000 0.279 276 L C 0.808 177.554 176.870 -0.207 0.000 1.014 276 L CA -0.683 54.125 54.840 -0.053 0.000 0.814 276 L CB 1.947 43.995 42.059 -0.019 0.000 1.257 276 L HN 0.328 nan 8.230 nan 0.000 0.424 277 A N 3.976 126.343 122.820 -0.755 0.000 2.340 277 A HA 0.699 5.019 4.320 -0.001 0.000 0.268 277 A C -0.375 176.955 177.584 -0.424 0.000 1.100 277 A CA -0.328 51.233 52.037 -0.792 0.000 0.803 277 A CB 0.205 18.391 19.000 -1.358 0.000 1.043 277 A HN 0.640 nan 8.150 nan 0.000 0.488 278 I N 1.509 121.951 120.570 -0.213 0.000 2.354 278 I HA 0.219 4.388 4.170 -0.001 0.000 0.292 278 I C -0.175 175.850 176.117 -0.153 0.000 0.989 278 I CA -0.353 60.861 61.300 -0.144 0.000 1.188 278 I CB 1.376 39.315 38.000 -0.101 0.000 1.342 278 I HN 0.808 nan 8.210 nan 0.000 0.457 279 H N 4.800 123.694 119.070 -0.293 0.000 2.552 279 H HA 0.556 5.112 4.556 -0.001 0.000 0.311 279 H C 0.002 175.197 175.328 -0.221 0.000 1.071 279 H CA -0.353 55.468 56.048 -0.380 0.000 1.307 279 H CB 1.238 30.551 29.762 -0.749 0.000 1.416 279 H HN 0.704 nan 8.280 nan 0.000 0.464 280 G N 4.470 112.901 108.800 -0.614 0.000 2.335 280 G HA2 0.170 4.129 3.960 -0.001 0.000 0.314 280 G HA3 0.170 4.129 3.960 -0.001 0.000 0.314 280 G C -1.186 173.441 174.900 -0.455 0.000 1.129 280 G CA -0.434 44.391 45.100 -0.458 0.000 0.912 280 G HN 0.756 nan 8.290 nan 0.000 0.443 281 H N 2.428 121.254 119.070 -0.407 0.000 2.459 281 H HA 0.257 4.812 4.556 -0.001 0.000 0.332 281 H C 0.766 175.884 175.328 -0.350 0.000 1.094 281 H CA -0.639 55.142 56.048 -0.445 0.000 1.224 281 H CB 1.510 31.087 29.762 -0.308 0.000 1.449 281 H HN 0.664 nan 8.280 nan 0.000 0.484 282 R N 3.027 123.173 120.500 -0.590 0.000 2.426 282 R HA 0.397 4.736 4.340 -0.001 0.000 0.263 282 R C 0.384 176.693 176.300 0.015 0.000 0.961 282 R CA -0.307 55.635 56.100 -0.262 0.000 1.086 282 R CB 0.173 30.248 30.300 -0.376 0.000 1.186 282 R HN 0.358 nan 8.270 nan 0.000 0.537 283 A N 1.825 124.718 122.820 0.121 0.000 2.600 283 A HA 0.032 4.351 4.320 -0.001 0.000 0.244 283 A C 0.897 178.527 177.584 0.077 0.000 1.016 283 A CA 1.226 53.363 52.037 0.167 0.000 0.778 283 A CB -0.286 18.837 19.000 0.205 0.000 0.920 283 A HN 0.855 nan 8.150 nan 0.000 0.513 284 M N 0.507 120.109 119.600 0.004 0.000 3.064 284 M HA -0.278 4.201 4.480 -0.001 0.000 0.225 284 M C 1.008 177.201 176.300 -0.178 0.000 0.549 284 M CA 1.842 57.120 55.300 -0.035 0.000 0.862 284 M CB -1.982 30.652 32.600 0.057 0.000 3.065 284 M HN 1.262 nan 8.290 nan 0.000 0.303 285 H N -0.125 118.791 119.070 -0.257 0.000 2.352 285 H HA 0.234 4.789 4.556 -0.001 0.000 0.299 285 H C 1.668 176.524 175.328 -0.786 0.000 1.097 285 H CA 2.128 57.804 56.048 -0.620 0.000 1.311 285 H CB -0.669 28.884 29.762 -0.348 0.000 1.377 285 H HN 0.506 nan 8.280 nan 0.000 0.504 286 A N 1.078 123.201 122.820 -1.161 0.000 2.216 286 A HA 0.156 4.475 4.320 -0.001 0.000 0.214 286 A C 2.524 179.866 177.584 -0.404 0.000 1.160 286 A CA 0.925 52.509 52.037 -0.755 0.000 0.725 286 A CB -1.085 17.529 19.000 -0.643 0.000 0.784 286 A HN 0.735 nan 8.150 nan 0.000 0.472 287 A N -0.531 122.076 122.820 -0.355 0.000 2.070 287 A HA 0.108 4.428 4.320 -0.001 0.000 0.220 287 A C 1.531 179.127 177.584 0.019 0.000 1.159 287 A CA 1.570 53.547 52.037 -0.100 0.000 0.656 287 A CB -0.570 18.456 19.000 0.042 0.000 0.800 287 A HN 1.169 nan 8.150 nan 0.000 0.453 288 F N -3.501 116.431 119.950 -0.030 0.000 2.925 288 F HA 0.209 4.735 4.527 -0.001 0.000 0.359 288 F C 1.461 177.251 175.800 -0.016 0.000 1.038 288 F CA 0.564 58.541 58.000 -0.039 0.000 1.130 288 F CB -0.411 38.536 39.000 -0.088 0.000 1.093 288 F HN 0.018 nan 8.300 nan 0.000 0.561 289 T N -2.436 111.959 114.554 -0.265 0.000 3.086 289 T HA 0.185 4.534 4.350 -0.001 0.000 0.250 289 T C 1.705 176.396 174.700 -0.014 0.000 1.074 289 T CA 0.452 62.523 62.100 -0.049 0.000 0.988 289 T CB -0.074 68.798 68.868 0.006 0.000 0.988 289 T HN 0.405 nan 8.240 nan 0.000 0.530 290 R N 1.226 121.697 120.500 -0.048 0.000 2.090 290 R HA 0.161 4.501 4.340 -0.001 0.000 0.219 290 R C 0.614 176.927 176.300 0.022 0.000 1.100 290 R CA 0.128 56.213 56.100 -0.025 0.000 0.991 290 R CB -0.073 30.192 30.300 -0.059 0.000 0.893 290 R HN 0.233 nan 8.270 nan 0.000 0.443 291 N N 1.523 120.260 118.700 0.062 0.000 2.431 291 N HA 0.018 4.757 4.740 -0.001 0.000 0.265 291 N C -2.087 173.485 175.510 0.104 0.000 1.184 291 N CA -1.635 51.487 53.050 0.120 0.000 0.943 291 N CB 1.650 40.245 38.487 0.181 0.000 1.080 291 N HN 0.053 nan 8.380 nan 0.000 0.477 292 P HA 0.049 nan 4.420 nan 0.000 0.245 292 P C -0.136 177.030 177.300 -0.223 0.000 1.212 292 P CA 0.865 63.887 63.100 -0.130 0.000 0.774 292 P CB 0.045 31.605 31.700 -0.234 0.000 0.999 293 Y N -2.411 117.967 120.300 0.130 0.000 2.481 293 Y HA 0.278 4.827 4.550 -0.001 0.000 0.247 293 Y C 0.827 176.895 175.900 0.279 0.000 1.151 293 Y CA -0.015 58.192 58.100 0.179 0.000 1.238 293 Y CB 0.419 38.968 38.460 0.148 0.000 1.179 293 Y HN 0.007 nan 8.280 nan 0.000 0.524 294 H N -0.896 118.312 119.070 0.230 0.000 3.151 294 H HA 0.471 5.027 4.556 -0.001 0.000 0.333 294 H C -0.048 175.359 175.328 0.130 0.000 1.093 294 H CA 0.295 56.467 56.048 0.207 0.000 1.342 294 H CB 1.494 31.367 29.762 0.184 0.000 1.983 294 H HN 0.333 nan 8.280 nan 0.000 0.503 295 G N 3.321 111.920 108.800 -0.334 0.000 2.301 295 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.194 295 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.194 295 G C -1.543 173.298 174.900 -0.098 0.000 1.266 295 G CA -0.263 44.647 45.100 -0.316 0.000 1.210 295 G HN 0.547 nan 8.290 nan 0.000 0.524 296 I N 0.963 121.614 120.570 0.135 0.000 2.533 296 I HA 0.521 4.691 4.170 -0.001 0.000 0.290 296 I C 0.478 176.736 176.117 0.234 0.000 1.056 296 I CA -0.662 60.771 61.300 0.221 0.000 1.057 296 I CB 2.141 40.282 38.000 0.234 0.000 1.240 296 I HN 0.636 nan 8.210 nan 0.000 0.423 297 S N 4.461 120.257 115.700 0.159 0.000 2.576 297 S HA 0.111 4.580 4.470 -0.001 0.000 0.276 297 S C 1.057 175.742 174.600 0.142 0.000 1.339 297 S CA -0.421 57.855 58.200 0.128 0.000 1.039 297 S CB 0.751 64.017 63.200 0.110 0.000 0.902 297 S HN 0.642 nan 8.310 nan 0.000 0.516 298 M N 4.984 124.645 119.600 0.103 0.000 2.346 298 M HA -0.013 4.466 4.480 -0.001 0.000 0.263 298 M C 1.182 177.503 176.300 0.036 0.000 1.064 298 M CA 1.591 56.921 55.300 0.049 0.000 1.083 298 M CB -0.921 31.669 32.600 -0.016 0.000 1.399 298 M HN 0.846 nan 8.290 nan 0.000 0.435 299 F N -0.871 119.031 119.950 -0.079 0.000 2.171 299 F HA -0.161 4.366 4.527 -0.001 0.000 0.300 299 F C 1.817 177.526 175.800 -0.151 0.000 1.090 299 F CA 1.530 59.438 58.000 -0.154 0.000 1.293 299 F CB -0.269 38.616 39.000 -0.192 0.000 1.013 299 F HN -0.037 nan 8.300 nan 0.000 0.486 300 V N -0.117 119.840 119.914 0.072 0.000 2.307 300 V HA -0.275 3.844 4.120 -0.001 0.000 0.245 300 V C 2.332 178.330 176.094 -0.161 0.000 1.045 300 V CA 1.417 63.677 62.300 -0.066 0.000 1.024 300 V CB -0.696 31.114 31.823 -0.022 0.000 0.651 300 V HN 0.247 nan 8.190 nan 0.000 0.449 301 L N 0.584 121.765 121.223 -0.071 0.000 2.013 301 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 301 L C 2.601 179.349 176.870 -0.204 0.000 1.073 301 L CA 2.439 57.198 54.840 -0.135 0.000 0.753 301 L CB -1.302 40.801 42.059 0.073 0.000 0.890 301 L HN 0.317 nan 8.230 nan 0.000 0.432 302 A N -1.100 121.627 122.820 -0.156 0.000 1.902 302 A HA -0.271 4.049 4.320 -0.001 0.000 0.217 302 A C 2.449 179.887 177.584 -0.244 0.000 1.181 302 A CA 2.008 53.943 52.037 -0.171 0.000 0.623 302 A CB -0.503 18.329 19.000 -0.281 0.000 0.818 302 A HN 0.424 nan 8.150 nan 0.000 0.443 303 K N -0.217 119.972 120.400 -0.353 0.000 2.001 303 K HA -0.067 4.253 4.320 -0.001 0.000 0.208 303 K C 1.935 178.381 176.600 -0.257 0.000 1.048 303 K CA 1.416 57.519 56.287 -0.307 0.000 0.932 303 K CB -0.340 31.941 32.500 -0.365 0.000 0.715 303 K HN 0.469 nan 8.250 nan 0.000 0.437 304 L N 0.088 121.132 121.223 -0.300 0.000 2.012 304 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 304 L C 2.523 179.330 176.870 -0.105 0.000 1.073 304 L CA 1.337 56.019 54.840 -0.263 0.000 0.748 304 L CB -0.723 41.178 42.059 -0.264 0.000 0.891 304 L HN 0.229 nan 8.230 nan 0.000 0.431 305 Y N -0.108 120.210 120.300 0.030 0.000 2.224 305 Y HA -0.204 4.345 4.550 -0.001 0.000 0.289 305 Y C 2.804 178.664 175.900 -0.066 0.000 1.146 305 Y CA 1.040 59.138 58.100 -0.003 0.000 1.182 305 Y CB -0.698 37.729 38.460 -0.055 0.000 0.983 305 Y HN 0.120 nan 8.280 nan 0.000 0.524 306 R N -0.200 120.307 120.500 0.013 0.000 2.073 306 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 306 R C 1.926 178.188 176.300 -0.063 0.000 1.134 306 R CA 1.173 57.230 56.100 -0.073 0.000 0.952 306 R CB -0.413 29.765 30.300 -0.202 0.000 0.850 306 R HN 0.207 nan 8.270 nan 0.000 0.433 307 L N 1.299 122.439 121.223 -0.138 0.000 2.012 307 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 307 L C 2.312 179.149 176.870 -0.055 0.000 1.073 307 L CA 1.599 56.272 54.840 -0.279 0.000 0.748 307 L CB -0.786 40.751 42.059 -0.870 0.000 0.891 307 L HN 0.287 nan 8.230 nan 0.000 0.431 308 I N -0.929 119.677 120.570 0.060 0.000 2.286 308 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 308 I C 1.447 177.676 176.117 0.186 0.000 1.115 308 I CA 1.334 62.800 61.300 0.277 0.000 1.392 308 I CB -0.311 37.881 38.000 0.319 0.000 1.065 308 I HN 0.533 nan 8.210 nan 0.000 0.418 309 G N 0.640 109.506 108.800 0.111 0.000 2.157 309 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.114 309 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.114 309 G C 0.020 174.943 174.900 0.039 0.000 1.041 309 G CA -0.762 44.380 45.100 0.071 0.000 0.714 309 G HN 0.060 nan 8.290 nan 0.000 0.492 310 I N 1.844 122.428 120.570 0.023 0.000 2.494 310 I HA 0.171 4.340 4.170 -0.001 0.000 0.289 310 I C 1.090 177.180 176.117 -0.045 0.000 1.106 310 I CA 0.056 61.332 61.300 -0.040 0.000 1.369 310 I CB 0.440 38.388 38.000 -0.087 0.000 1.410 310 I HN 0.108 nan 8.210 nan 0.000 0.523 311 D N 4.502 124.878 120.400 -0.040 0.000 2.178 311 D HA -0.087 4.553 4.640 -0.001 0.000 0.202 311 D C 0.195 176.499 176.300 0.008 0.000 0.974 311 D CA 1.297 55.298 54.000 0.003 0.000 0.841 311 D CB 0.245 41.060 40.800 0.025 0.000 0.953 311 D HN 0.606 nan 8.370 nan 0.000 0.478 312 Q N -0.049 119.704 119.800 -0.078 0.000 2.331 312 Q HA 0.615 4.955 4.340 -0.001 0.000 0.272 312 Q C -1.653 174.183 176.000 -0.274 0.000 1.062 312 Q CA -0.806 54.937 55.803 -0.100 0.000 0.806 312 Q CB 3.019 31.697 28.738 -0.102 0.000 1.312 312 Q HN -0.016 nan 8.270 nan 0.000 0.431 313 L N 1.188 122.287 121.223 -0.206 0.000 2.493 313 L HA 0.376 4.715 4.340 -0.001 0.000 0.265 313 L C -1.207 175.582 176.870 -0.136 0.000 0.954 313 L CA -0.236 54.477 54.840 -0.210 0.000 0.844 313 L CB 1.853 43.824 42.059 -0.148 0.000 1.302 313 L HN 0.682 nan 8.230 nan 0.000 0.405 314 H N 3.899 122.790 119.070 -0.298 0.000 2.886 314 H HA 0.247 4.803 4.556 -0.001 0.000 0.329 314 H C 0.577 175.781 175.328 -0.207 0.000 1.044 314 H CA 0.641 56.555 56.048 -0.222 0.000 1.456 314 H CB 1.590 31.179 29.762 -0.288 0.000 1.464 314 H HN 0.635 nan 8.280 nan 0.000 0.573 315 V N 0.213 120.083 119.914 -0.073 0.000 3.562 315 V HA 0.463 4.583 4.120 -0.001 0.000 0.270 315 V C 0.869 176.928 176.094 -0.058 0.000 1.418 315 V CA 0.457 62.708 62.300 -0.083 0.000 1.033 315 V CB 0.569 32.350 31.823 -0.071 0.000 0.820 315 V HN 1.044 nan 8.190 nan 0.000 0.441 316 G N 1.100 109.880 108.800 -0.034 0.000 2.408 316 G HA2 0.139 4.098 3.960 -0.001 0.000 0.682 316 G HA3 0.139 4.098 3.960 -0.001 0.000 0.682 316 G C 0.096 174.990 174.900 -0.010 0.000 1.303 316 G CA 0.325 45.421 45.100 -0.007 0.000 0.966 316 G HN 1.183 nan 8.290 nan 0.000 0.560 317 T N -2.549 112.003 114.554 -0.002 0.000 3.132 317 T HA 0.637 4.987 4.350 -0.001 0.000 0.274 317 T C 1.455 176.148 174.700 -0.012 0.000 1.011 317 T CA 1.582 63.674 62.100 -0.013 0.000 0.899 317 T CB 0.345 69.203 68.868 -0.016 0.000 1.089 317 T HN 2.670 nan 8.240 nan 0.000 0.543 318 A N 0.169 122.987 122.820 -0.003 0.000 2.822 318 A HA 0.146 4.466 4.320 -0.001 0.000 0.287 318 A C 1.869 179.454 177.584 0.001 0.000 1.479 318 A CA 1.253 53.291 52.037 0.001 0.000 0.779 318 A CB -2.144 16.855 19.000 -0.001 0.000 1.022 318 A HN 2.173 nan 8.150 nan 0.000 0.532 319 G N -2.700 106.102 108.800 0.003 0.000 2.284 319 G HA2 0.077 4.036 3.960 -0.001 0.000 0.230 319 G HA3 0.077 4.036 3.960 -0.001 0.000 0.230 319 G C 1.546 176.447 174.900 0.001 0.000 1.021 319 G CA 1.213 46.316 45.100 0.005 0.000 0.619 319 G HN 2.230 nan 8.290 nan 0.000 0.510 320 A N 0.737 123.550 122.820 -0.012 0.000 1.969 320 A HA 0.534 4.853 4.320 -0.001 0.000 0.218 320 A C 1.960 179.529 177.584 -0.026 0.000 1.169 320 A CA 2.314 54.336 52.037 -0.026 0.000 0.635 320 A CB -0.611 18.356 19.000 -0.055 0.000 0.810 320 A HN 1.829 nan 8.150 nan 0.000 0.445 321 G N -0.962 107.826 108.800 -0.020 0.000 2.532 321 G HA2 0.380 4.339 3.960 -0.001 0.000 0.291 321 G HA3 0.380 4.339 3.960 -0.001 0.000 0.291 321 G C 0.741 175.644 174.900 0.006 0.000 1.349 321 G CA 0.173 45.264 45.100 -0.015 0.000 1.038 321 G HN 0.388 nan 8.290 nan 0.000 0.518 322 K N -1.324 119.083 120.400 0.011 0.000 2.361 322 K HA 0.175 4.495 4.320 -0.001 0.000 0.196 322 K C 0.249 176.861 176.600 0.020 0.000 1.039 322 K CA 0.178 56.476 56.287 0.019 0.000 1.001 322 K CB -0.147 32.366 32.500 0.020 0.000 0.795 322 K HN 0.251 nan 8.250 nan 0.000 0.495 323 L N 2.182 123.419 121.223 0.024 0.000 2.334 323 L HA 0.262 4.602 4.340 -0.001 0.000 0.275 323 L C 0.448 177.332 176.870 0.023 0.000 1.036 323 L CA -0.971 53.883 54.840 0.024 0.000 0.807 323 L CB 1.429 43.512 42.059 0.040 0.000 1.231 323 L HN 0.100 nan 8.230 nan 0.000 0.438 324 E N 1.530 121.739 120.200 0.015 0.000 2.418 324 E HA 0.336 4.686 4.350 -0.001 0.000 0.261 324 E C -0.205 176.411 176.600 0.027 0.000 1.070 324 E CA 0.500 56.909 56.400 0.016 0.000 0.931 324 E CB 1.131 30.834 29.700 0.005 0.000 0.954 324 E HN 0.750 nan 8.360 nan 0.000 0.439 325 G N 4.140 112.952 108.800 0.021 0.000 2.362 325 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.189 325 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.189 325 G C -0.652 174.257 174.900 0.014 0.000 1.374 325 G CA -0.731 44.381 45.100 0.020 0.000 1.140 325 G HN 0.397 nan 8.290 nan 0.000 0.611 326 E N 1.795 122.001 120.200 0.010 0.000 2.425 326 E HA 0.090 4.439 4.350 -0.001 0.000 0.258 326 E C 1.546 178.155 176.600 0.014 0.000 1.151 326 E CA -0.381 56.026 56.400 0.011 0.000 0.958 326 E CB 1.339 31.044 29.700 0.008 0.000 0.968 326 E HN 0.640 nan 8.360 nan 0.000 0.451 327 R N 1.015 121.524 120.500 0.016 0.000 2.083 327 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 327 R C 1.411 177.728 176.300 0.028 0.000 1.137 327 R CA 2.438 58.549 56.100 0.018 0.000 0.951 327 R CB -0.167 30.143 30.300 0.017 0.000 0.851 327 R HN 0.615 nan 8.270 nan 0.000 0.434 328 D N 0.128 120.548 120.400 0.033 0.000 2.084 328 D HA -0.199 4.440 4.640 -0.001 0.000 0.194 328 D C 1.958 178.293 176.300 0.057 0.000 0.990 328 D CA 1.415 55.445 54.000 0.050 0.000 0.826 328 D CB -0.371 40.461 40.800 0.052 0.000 0.971 328 D HN 0.265 nan 8.370 nan 0.000 0.453 329 I N 0.746 121.337 120.570 0.036 0.000 2.151 329 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 329 I C 2.179 178.323 176.117 0.045 0.000 1.080 329 I CA 1.590 62.911 61.300 0.035 0.000 1.339 329 I CB -0.482 37.521 38.000 0.005 0.000 1.039 329 I HN 0.131 nan 8.210 nan 0.000 0.409 330 T N 1.039 115.611 114.554 0.029 0.000 2.788 330 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 330 T C 1.848 176.565 174.700 0.028 0.000 1.044 330 T CA 1.328 63.438 62.100 0.018 0.000 1.139 330 T CB -0.262 68.611 68.868 0.009 0.000 0.867 330 T HN 0.261 nan 8.240 nan 0.000 0.454 331 I N 0.783 121.381 120.570 0.046 0.000 2.252 331 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 331 I C 2.799 178.973 176.117 0.095 0.000 1.102 331 I CA 0.938 62.275 61.300 0.061 0.000 1.385 331 I CB -0.290 37.750 38.000 0.067 0.000 1.064 331 I HN 0.111 nan 8.210 nan 0.000 0.414 332 Q N 0.629 120.504 119.800 0.124 0.000 2.046 332 Q HA -0.147 4.192 4.340 -0.001 0.000 0.200 332 Q C 2.003 178.096 176.000 0.154 0.000 0.975 332 Q CA 1.345 57.267 55.803 0.199 0.000 0.836 332 Q CB -0.765 28.044 28.738 0.118 0.000 0.896 332 Q HN 0.486 nan 8.270 nan 0.000 0.428 333 N N 0.959 119.705 118.700 0.077 0.000 2.094 333 N HA -0.171 4.569 4.740 -0.001 0.000 0.191 333 N C 1.605 177.036 175.510 -0.131 0.000 1.023 333 N CA 1.738 54.742 53.050 -0.077 0.000 0.857 333 N CB -0.418 38.036 38.487 -0.055 0.000 1.013 333 N HN 0.306 nan 8.380 nan 0.000 0.426 334 A N 1.286 124.075 122.820 -0.053 0.000 1.898 334 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 334 A C 2.265 179.813 177.584 -0.059 0.000 1.181 334 A CA 0.981 52.987 52.037 -0.051 0.000 0.620 334 A CB -0.303 18.693 19.000 -0.008 0.000 0.819 334 A HN 0.220 nan 8.150 nan 0.000 0.442 335 R N -1.096 119.405 120.500 0.002 0.000 2.070 335 R HA -0.099 4.241 4.340 -0.001 0.000 0.233 335 R C 1.944 178.218 176.300 -0.043 0.000 1.137 335 R CA 1.486 57.629 56.100 0.071 0.000 0.945 335 R CB -0.580 29.888 30.300 0.280 0.000 0.845 335 R HN 0.472 nan 8.270 nan 0.000 0.430 336 I N 1.232 121.647 120.570 -0.258 0.000 2.567 336 I HA -0.198 3.972 4.170 -0.001 0.000 0.257 336 I C 1.837 177.654 176.117 -0.500 0.000 1.184 336 I CA 1.247 62.242 61.300 -0.509 0.000 1.451 336 I CB -0.086 37.221 38.000 -1.155 0.000 1.089 336 I HN 0.144 nan 8.210 nan 0.000 0.441 337 L N -0.820 120.172 121.223 -0.384 0.000 2.179 337 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 337 L C 2.461 179.119 176.870 -0.354 0.000 1.096 337 L CA 0.901 55.527 54.840 -0.356 0.000 0.779 337 L CB -0.333 41.592 42.059 -0.225 0.000 0.922 337 L HN 0.126 nan 8.230 nan 0.000 0.443 338 R N -0.654 119.688 120.500 -0.263 0.000 2.195 338 R HA 0.106 4.446 4.340 -0.001 0.000 0.197 338 R C 0.233 176.420 176.300 -0.189 0.000 0.990 338 R CA 0.015 55.990 56.100 -0.209 0.000 1.048 338 R CB 0.333 30.556 30.300 -0.129 0.000 0.997 338 R HN 0.303 nan 8.270 nan 0.000 0.502 339 E N 0.842 120.958 120.200 -0.140 0.000 2.313 339 E HA 0.007 4.356 4.350 -0.001 0.000 0.276 339 E C 0.638 177.259 176.600 0.035 0.000 1.031 339 E CA -0.115 56.287 56.400 0.004 0.000 0.857 339 E CB 1.470 31.269 29.700 0.166 0.000 1.040 339 E HN 0.102 nan 8.360 nan 0.000 0.408 340 S N 2.239 117.994 115.700 0.093 0.000 2.428 340 S HA -0.158 4.311 4.470 -0.001 0.000 0.230 340 S C 0.657 175.412 174.600 0.259 0.000 1.014 340 S CA 0.752 59.039 58.200 0.145 0.000 0.957 340 S CB -0.036 63.213 63.200 0.081 0.000 0.784 340 S HN 0.679 nan 8.310 nan 0.000 0.499 341 H N -0.360 118.806 119.070 0.159 0.000 2.808 341 H HA 0.323 4.878 4.556 -0.001 0.000 0.268 341 H C -1.577 173.861 175.328 0.183 0.000 1.306 341 H CA -1.067 55.058 56.048 0.129 0.000 1.565 341 H CB 0.259 30.032 29.762 0.019 0.000 1.632 341 H HN 0.345 nan 8.280 nan 0.000 0.525 342 Y N 4.727 125.244 120.300 0.361 0.000 2.496 342 Y HA 0.167 4.716 4.550 -0.001 0.000 0.334 342 Y C -0.705 175.374 175.900 0.297 0.000 1.080 342 Y CA 0.107 58.388 58.100 0.300 0.000 1.355 342 Y CB 0.282 38.942 38.460 0.333 0.000 1.193 342 Y HN 0.421 nan 8.280 nan 0.000 0.523 343 K N 9.049 129.253 120.400 -0.326 0.000 2.358 343 K HA 0.353 4.672 4.320 -0.001 0.000 0.260 343 K C -2.730 173.492 176.600 -0.631 0.000 0.956 343 K CA -1.994 54.091 56.287 -0.335 0.000 0.834 343 K CB 1.546 33.939 32.500 -0.178 0.000 1.102 343 K HN 0.471 nan 8.250 nan 0.000 0.431 344 P HA 0.056 nan 4.420 nan 0.000 0.275 344 P C -0.742 176.476 177.300 -0.137 0.000 1.227 344 P CA -0.319 62.619 63.100 -0.270 0.000 0.781 344 P CB 0.587 32.288 31.700 0.002 0.000 0.906 345 D N 1.499 121.856 120.400 -0.071 0.000 2.478 345 D HA 0.029 4.668 4.640 -0.001 0.000 0.234 345 D C 1.869 178.141 176.300 -0.045 0.000 1.154 345 D CA 0.455 54.428 54.000 -0.044 0.000 0.874 345 D CB 0.205 41.002 40.800 -0.004 0.000 1.198 345 D HN 0.525 nan 8.370 nan 0.000 0.455 346 E N 2.197 122.369 120.200 -0.046 0.000 2.187 346 E HA -0.265 4.084 4.350 -0.001 0.000 0.199 346 E C 1.106 177.670 176.600 -0.060 0.000 1.004 346 E CA 1.746 58.117 56.400 -0.050 0.000 0.813 346 E CB -0.806 28.870 29.700 -0.040 0.000 0.736 346 E HN 0.609 nan 8.360 nan 0.000 0.468 347 N N 0.058 118.727 118.700 -0.051 0.000 2.270 347 N HA 0.009 4.749 4.740 -0.001 0.000 0.198 347 N C -0.359 175.095 175.510 -0.093 0.000 1.117 347 N CA 0.379 53.389 53.050 -0.066 0.000 0.845 347 N CB 0.242 38.709 38.487 -0.034 0.000 0.980 347 N HN 0.268 nan 8.380 nan 0.000 0.486 348 D N 1.494 121.846 120.400 -0.079 0.000 2.352 348 D HA 0.042 4.681 4.640 -0.001 0.000 0.245 348 D C 1.268 177.426 176.300 -0.236 0.000 1.224 348 D CA -0.390 53.559 54.000 -0.085 0.000 0.879 348 D CB 1.416 42.238 40.800 0.037 0.000 1.057 348 D HN 0.036 nan 8.370 nan 0.000 0.491 349 V N 1.813 121.454 119.914 -0.455 0.000 3.623 349 V HA 0.132 4.252 4.120 -0.001 0.000 0.271 349 V C 1.102 176.788 176.094 -0.681 0.000 1.248 349 V CA 0.406 62.319 62.300 -0.644 0.000 1.156 349 V CB -1.011 30.294 31.823 -0.864 0.000 0.870 349 V HN 0.276 nan 8.190 nan 0.000 0.453 350 F N -0.466 119.223 119.950 -0.436 0.000 2.553 350 F HA 0.426 4.952 4.527 -0.001 0.000 0.282 350 F C 1.335 176.741 175.800 -0.656 0.000 1.089 350 F CA -0.199 57.413 58.000 -0.648 0.000 1.411 350 F CB 0.071 38.450 39.000 -1.034 0.000 1.125 350 F HN 0.246 nan 8.300 nan 0.000 0.610 351 H N 0.395 119.450 119.070 -0.025 0.000 2.621 351 H HA 0.630 5.186 4.556 -0.001 0.000 0.360 351 H C -0.546 174.851 175.328 0.115 0.000 1.163 351 H CA -0.856 55.154 56.048 -0.063 0.000 1.194 351 H CB 1.870 31.472 29.762 -0.267 0.000 1.649 351 H HN -0.092 nan 8.280 nan 0.000 0.532 352 L N 0.508 121.929 121.223 0.331 0.000 2.322 352 L HA 0.299 4.638 4.340 -0.001 0.000 0.269 352 L C 0.807 177.896 176.870 0.364 0.000 1.012 352 L CA -0.901 54.086 54.840 0.246 0.000 0.815 352 L CB 1.860 44.009 42.059 0.150 0.000 1.295 352 L HN 0.549 nan 8.230 nan 0.000 0.438 353 E N 1.462 121.791 120.200 0.216 0.000 2.437 353 E HA 0.024 4.373 4.350 -0.001 0.000 0.263 353 E C -0.911 175.875 176.600 0.310 0.000 1.030 353 E CA 0.115 56.660 56.400 0.242 0.000 0.934 353 E CB 0.705 30.490 29.700 0.142 0.000 0.943 353 E HN 0.435 nan 8.360 nan 0.000 0.444 354 Q N 2.939 122.897 119.800 0.265 0.000 2.418 354 Q HA 0.200 4.539 4.340 -0.001 0.000 0.240 354 Q C -1.859 173.993 176.000 -0.247 0.000 0.859 354 Q CA -0.449 55.388 55.803 0.056 0.000 0.916 354 Q CB 0.920 29.645 28.738 -0.023 0.000 1.448 354 Q HN 0.346 nan 8.270 nan 0.000 0.439 355 K N 2.950 123.089 120.400 -0.434 0.000 2.218 355 K HA 0.313 4.633 4.320 -0.001 0.000 0.276 355 K C -0.294 175.972 176.600 -0.556 0.000 1.022 355 K CA -0.132 55.769 56.287 -0.644 0.000 0.946 355 K CB 0.652 32.569 32.500 -0.970 0.000 1.000 355 K HN 0.558 nan 8.250 nan 0.000 0.468 356 F N 0.958 120.761 119.950 -0.245 0.000 2.682 356 F HA 0.107 4.633 4.527 -0.001 0.000 0.308 356 F C 0.148 175.998 175.800 0.082 0.000 1.093 356 F CA -0.245 57.733 58.000 -0.035 0.000 1.244 356 F CB -0.091 38.882 39.000 -0.044 0.000 1.052 356 F HN 0.650 nan 8.300 nan 0.000 0.573 357 Y N -0.608 119.749 120.300 0.094 0.000 2.817 357 Y HA -0.492 4.058 4.550 -0.001 0.000 0.471 357 Y C 2.029 177.974 175.900 0.075 0.000 1.142 357 Y CA 1.344 59.480 58.100 0.059 0.000 2.725 357 Y CB -1.875 36.599 38.460 0.023 0.000 1.169 357 Y HN 0.026 nan 8.280 nan 0.000 0.619 358 S N 0.243 116.092 115.700 0.248 0.000 2.575 358 S HA 0.327 4.797 4.470 -0.001 0.000 0.237 358 S C -0.065 174.601 174.600 0.109 0.000 0.975 358 S CA -0.313 57.968 58.200 0.135 0.000 0.960 358 S CB -0.127 63.131 63.200 0.096 0.000 0.822 358 S HN 0.301 nan 8.310 nan 0.000 0.472 359 I N 3.648 124.311 120.570 0.156 0.000 2.494 359 I HA 0.161 4.331 4.170 -0.001 0.000 0.289 359 I C 0.792 176.922 176.117 0.021 0.000 1.106 359 I CA 0.016 61.384 61.300 0.113 0.000 1.369 359 I CB -0.437 37.684 38.000 0.200 0.000 1.410 359 I HN 0.289 nan 8.210 nan 0.000 0.523 360 K N 4.203 124.595 120.400 -0.013 0.000 2.344 360 K HA 0.273 4.593 4.320 -0.001 0.000 0.260 360 K C 0.387 176.908 176.600 -0.131 0.000 0.988 360 K CA -0.349 55.902 56.287 -0.059 0.000 0.909 360 K CB 0.449 32.922 32.500 -0.044 0.000 0.968 360 K HN 0.716 nan 8.250 nan 0.000 0.505 361 A N 1.047 123.774 122.820 -0.155 0.000 2.409 361 A HA 0.442 4.762 4.320 -0.001 0.000 0.262 361 A C -0.162 177.307 177.584 -0.191 0.000 1.113 361 A CA -0.330 51.578 52.037 -0.216 0.000 0.790 361 A CB 0.330 19.200 19.000 -0.218 0.000 1.046 361 A HN 0.693 nan 8.150 nan 0.000 0.496 362 A N 1.807 124.512 122.820 -0.192 0.000 2.293 362 A HA 0.637 4.957 4.320 -0.001 0.000 0.302 362 A C -0.579 176.957 177.584 -0.081 0.000 1.119 362 A CA -0.395 51.574 52.037 -0.114 0.000 0.823 362 A CB 0.159 19.094 19.000 -0.109 0.000 1.097 362 A HN 0.739 nan 8.150 nan 0.000 0.491 363 F N 2.910 122.807 119.950 -0.088 0.000 2.404 363 F HA 0.371 4.898 4.527 -0.001 0.000 0.359 363 F C -1.976 173.768 175.800 -0.094 0.000 1.134 363 F CA -2.475 55.483 58.000 -0.070 0.000 1.160 363 F CB 0.906 39.881 39.000 -0.041 0.000 1.186 363 F HN 0.261 nan 8.300 nan 0.000 0.526 364 P HA 0.119 nan 4.420 nan 0.000 0.271 364 P C -0.701 176.610 177.300 0.018 0.000 1.216 364 P CA -0.050 63.078 63.100 0.047 0.000 0.776 364 P CB 0.661 32.372 31.700 0.019 0.000 0.881 365 T N 1.789 116.283 114.554 -0.100 0.000 2.786 365 T HA 0.373 4.722 4.350 -0.001 0.000 0.283 365 T C -0.343 174.219 174.700 -0.229 0.000 0.992 365 T CA -0.289 61.689 62.100 -0.205 0.000 0.954 365 T CB 0.587 69.232 68.868 -0.372 0.000 0.934 365 T HN 0.156 nan 8.240 nan 0.000 0.440 366 S N 2.537 118.152 115.700 -0.142 0.000 2.449 366 S HA 0.762 5.232 4.470 -0.001 0.000 0.310 366 S C -0.630 173.929 174.600 -0.069 0.000 1.096 366 S CA -0.488 57.658 58.200 -0.090 0.000 1.095 366 S CB 0.603 63.776 63.200 -0.045 0.000 1.007 366 S HN 0.802 nan 8.310 nan 0.000 0.474 367 S N 3.152 118.834 115.700 -0.029 0.000 2.552 367 S HA 0.737 5.206 4.470 -0.001 0.000 0.272 367 S C -0.604 174.036 174.600 0.067 0.000 1.150 367 S CA 0.262 58.482 58.200 0.033 0.000 0.849 367 S CB 1.006 64.260 63.200 0.090 0.000 1.113 367 S HN 2.006 nan 8.310 nan 0.000 0.458 368 G N 0.966 109.799 108.800 0.054 0.000 2.992 368 G HA2 0.456 4.415 3.960 -0.001 0.000 0.677 368 G HA3 0.456 4.415 3.960 -0.001 0.000 0.677 368 G C 0.999 175.904 174.900 0.008 0.000 1.191 368 G CA 0.506 45.637 45.100 0.051 0.000 1.178 368 G HN 2.401 nan 8.290 nan 0.000 0.506 369 G N -0.230 108.563 108.800 -0.013 0.000 2.160 369 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.244 369 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.244 369 G C 0.387 175.235 174.900 -0.085 0.000 1.022 369 G CA 0.546 45.624 45.100 -0.036 0.000 0.741 369 G HN 1.480 nan 8.290 nan 0.000 0.508 370 L N 0.702 121.855 121.223 -0.116 0.000 2.289 370 L HA 0.744 5.083 4.340 -0.001 0.000 0.285 370 L C 0.745 177.464 176.870 -0.252 0.000 1.049 370 L CA -1.166 53.552 54.840 -0.203 0.000 0.804 370 L CB 1.186 43.166 42.059 -0.132 0.000 1.195 370 L HN 0.552 nan 8.230 nan 0.000 0.428 371 H N 0.911 119.813 119.070 -0.281 0.000 2.906 371 H HA 0.474 5.029 4.556 -0.001 0.000 0.337 371 H C -2.513 172.722 175.328 -0.155 0.000 1.257 371 H CA -2.314 53.504 56.048 -0.384 0.000 1.192 371 H CB 0.398 29.701 29.762 -0.764 0.000 1.912 371 H HN 0.154 nan 8.280 nan 0.000 0.573 372 P HA 0.003 nan 4.420 nan 0.000 0.225 372 P C 1.168 178.526 177.300 0.097 0.000 1.148 372 P CA 1.807 64.943 63.100 0.060 0.000 0.779 372 P CB -0.019 31.765 31.700 0.139 0.000 0.780 373 G N -0.187 108.793 108.800 0.300 0.000 3.042 373 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.212 373 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.212 373 G C 0.680 175.612 174.900 0.052 0.000 1.166 373 G CA 0.030 45.291 45.100 0.268 0.000 0.767 373 G HN 0.343 nan 8.290 nan 0.000 0.546 374 N N -0.023 118.461 118.700 -0.361 0.000 2.390 374 N HA 0.043 4.782 4.740 -0.001 0.000 0.259 374 N C 1.123 176.514 175.510 -0.198 0.000 1.395 374 N CA -0.271 52.616 53.050 -0.272 0.000 0.852 374 N CB -0.723 37.515 38.487 -0.414 0.000 1.371 374 N HN 0.387 nan 8.380 nan 0.000 0.491 375 I N -3.996 116.486 120.570 -0.147 0.000 3.603 375 I HA 0.174 4.343 4.170 -0.001 0.000 0.297 375 I C 2.070 178.148 176.117 -0.065 0.000 1.269 375 I CA 0.051 61.288 61.300 -0.105 0.000 1.361 375 I CB 0.135 38.072 38.000 -0.106 0.000 1.063 375 I HN -0.043 nan 8.210 nan 0.000 0.448 376 Q N 2.559 122.332 119.800 -0.045 0.000 2.050 376 Q HA -0.116 4.224 4.340 -0.001 0.000 0.202 376 Q C -0.380 175.600 176.000 -0.034 0.000 0.980 376 Q CA 2.310 58.092 55.803 -0.036 0.000 0.840 376 Q CB -1.251 27.473 28.738 -0.024 0.000 0.898 376 Q HN 0.373 nan 8.270 nan 0.000 0.424 377 P HA -0.075 nan 4.420 nan 0.000 0.220 377 P C 1.603 178.889 177.300 -0.024 0.000 1.148 377 P CA 0.889 63.974 63.100 -0.027 0.000 0.803 377 P CB -0.055 31.630 31.700 -0.026 0.000 0.782 378 V N -0.218 119.677 119.914 -0.032 0.000 2.323 378 V HA -0.187 3.933 4.120 -0.001 0.000 0.244 378 V C 2.339 178.423 176.094 -0.017 0.000 1.041 378 V CA 1.549 63.833 62.300 -0.027 0.000 1.025 378 V CB -0.974 30.826 31.823 -0.038 0.000 0.656 378 V HN 0.043 nan 8.190 nan 0.000 0.451 379 I N 0.441 120.998 120.570 -0.022 0.000 2.546 379 I HA -0.146 4.023 4.170 -0.001 0.000 0.255 379 I C 2.890 179.002 176.117 -0.009 0.000 1.163 379 I CA 1.388 62.680 61.300 -0.014 0.000 1.457 379 I CB -0.726 37.260 38.000 -0.023 0.000 1.092 379 I HN 0.483 nan 8.210 nan 0.000 0.434 380 E N 1.490 121.683 120.200 -0.013 0.000 2.047 380 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 380 E C 2.356 178.955 176.600 -0.001 0.000 0.987 380 E CA 1.412 57.807 56.400 -0.009 0.000 0.799 380 E CB -0.754 28.938 29.700 -0.013 0.000 0.752 380 E HN 0.575 nan 8.360 nan 0.000 0.449 381 A N 0.103 122.923 122.820 0.000 0.000 1.873 381 A HA 0.127 4.447 4.320 -0.001 0.000 0.215 381 A C 2.359 179.952 177.584 0.014 0.000 1.186 381 A CA 1.614 53.656 52.037 0.008 0.000 0.616 381 A CB -0.163 18.841 19.000 0.007 0.000 0.823 381 A HN 0.456 nan 8.150 nan 0.000 0.442 382 L N -1.972 119.259 121.223 0.012 0.000 2.638 382 L HA 0.384 4.723 4.340 -0.001 0.000 0.232 382 L C 1.287 178.171 176.870 0.022 0.000 1.099 382 L CA 0.174 55.025 54.840 0.019 0.000 0.883 382 L CB -0.591 41.478 42.059 0.017 0.000 1.136 382 L HN 0.624 nan 8.230 nan 0.000 0.492 383 G N 1.249 110.059 108.800 0.017 0.000 2.693 383 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.226 383 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.226 383 G C 0.526 175.444 174.900 0.030 0.000 1.354 383 G CA 0.071 45.182 45.100 0.019 0.000 0.873 383 G HN 0.221 nan 8.290 nan 0.000 0.562 384 T N -3.059 111.517 114.554 0.038 0.000 3.060 384 T HA 0.279 4.629 4.350 -0.001 0.000 0.249 384 T C 0.662 175.429 174.700 0.112 0.000 1.079 384 T CA 1.153 63.286 62.100 0.056 0.000 1.013 384 T CB 0.345 69.238 68.868 0.042 0.000 0.975 384 T HN 0.407 nan 8.240 nan 0.000 0.518 385 D N 2.771 123.237 120.400 0.110 0.000 2.608 385 D HA 0.392 5.032 4.640 -0.001 0.000 0.224 385 D C 0.043 176.533 176.300 0.317 0.000 1.123 385 D CA -0.142 53.966 54.000 0.180 0.000 1.030 385 D CB -0.374 40.431 40.800 0.008 0.000 1.093 385 D HN 0.723 nan 8.370 nan 0.000 0.497 386 I N -2.900 117.906 120.570 0.393 0.000 3.093 386 I HA 0.529 4.698 4.170 -0.001 0.000 0.308 386 I C -1.073 175.042 176.117 -0.004 0.000 1.303 386 I CA -1.220 60.230 61.300 0.250 0.000 0.975 386 I CB 1.957 40.017 38.000 0.100 0.000 1.286 386 I HN -0.347 nan 8.210 nan 0.000 0.459 387 V N 3.916 123.739 119.914 -0.151 0.000 2.435 387 V HA 0.476 4.595 4.120 -0.001 0.000 0.290 387 V C -0.070 176.003 176.094 -0.035 0.000 1.030 387 V CA -0.451 61.728 62.300 -0.201 0.000 0.881 387 V CB 1.517 33.166 31.823 -0.290 0.000 0.983 387 V HN 0.467 nan 8.190 nan 0.000 0.445 388 L N 4.635 125.889 121.223 0.050 0.000 2.295 388 L HA 0.564 4.903 4.340 -0.001 0.000 0.285 388 L C -0.084 176.865 176.870 0.132 0.000 1.035 388 L CA -0.217 54.668 54.840 0.075 0.000 0.806 388 L CB 1.486 43.595 42.059 0.083 0.000 1.214 388 L HN 0.518 nan 8.230 nan 0.000 0.426 389 Q N 4.143 123.996 119.800 0.088 0.000 2.341 389 Q HA 0.454 4.794 4.340 -0.001 0.000 0.268 389 Q C -1.742 174.297 176.000 0.064 0.000 1.013 389 Q CA -0.748 55.109 55.803 0.091 0.000 0.798 389 Q CB 1.879 30.701 28.738 0.140 0.000 1.253 389 Q HN 0.424 nan 8.270 nan 0.000 0.457 390 L N 3.902 125.164 121.223 0.064 0.000 2.388 390 L HA 0.476 4.815 4.340 -0.001 0.000 0.267 390 L C 0.875 177.758 176.870 0.021 0.000 0.995 390 L CA -0.152 54.714 54.840 0.044 0.000 0.864 390 L CB 1.703 43.810 42.059 0.080 0.000 1.216 390 L HN 0.769 nan 8.230 nan 0.000 0.430 391 G N 1.636 110.440 108.800 0.007 0.000 2.648 391 G HA2 0.086 4.046 3.960 -0.001 0.000 0.217 391 G HA3 0.086 4.046 3.960 -0.001 0.000 0.217 391 G C 1.280 176.184 174.900 0.006 0.000 1.386 391 G CA 0.550 45.657 45.100 0.012 0.000 0.920 391 G HN 0.688 nan 8.290 nan 0.000 0.540 392 G N 0.530 109.330 108.800 -0.001 0.000 2.485 392 G HA2 0.047 4.006 3.960 -0.001 0.000 0.221 392 G HA3 0.047 4.006 3.960 -0.001 0.000 0.221 392 G C 1.588 176.450 174.900 -0.064 0.000 1.115 392 G CA 1.390 46.494 45.100 0.006 0.000 0.751 392 G HN 0.749 nan 8.290 nan 0.000 0.567 393 G N -0.960 107.722 108.800 -0.197 0.000 2.848 393 G HA2 0.181 4.140 3.960 -0.001 0.000 0.208 393 G HA3 0.181 4.140 3.960 -0.001 0.000 0.208 393 G C 1.407 176.215 174.900 -0.152 0.000 1.152 393 G CA 1.421 46.238 45.100 -0.472 0.000 0.789 393 G HN 0.399 nan 8.290 nan 0.000 0.531 394 T N 0.263 114.852 114.554 0.058 0.000 3.114 394 T HA 0.093 4.442 4.350 -0.001 0.000 0.240 394 T C 2.005 176.837 174.700 0.221 0.000 0.983 394 T CA -0.072 62.134 62.100 0.178 0.000 1.151 394 T CB -0.027 68.927 68.868 0.145 0.000 0.974 394 T HN 0.028 nan 8.240 nan 0.000 0.442 395 L N 1.712 123.021 121.223 0.144 0.000 2.275 395 L HA 0.220 4.559 4.340 -0.001 0.000 0.215 395 L C 2.426 179.410 176.870 0.190 0.000 1.119 395 L CA 1.217 56.130 54.840 0.122 0.000 0.790 395 L CB -0.832 41.259 42.059 0.054 0.000 0.919 395 L HN 0.389 nan 8.230 nan 0.000 0.443 396 G N -2.820 106.167 108.800 0.312 0.000 2.920 396 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.208 396 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.208 396 G C 0.624 175.719 174.900 0.326 0.000 1.159 396 G CA -0.248 45.075 45.100 0.373 0.000 0.784 396 G HN 0.314 nan 8.290 nan 0.000 0.535 397 H N 1.867 121.098 119.070 0.269 0.000 2.964 397 H HA 0.061 4.617 4.556 -0.001 0.000 0.328 397 H C -1.051 174.225 175.328 -0.086 0.000 1.030 397 H CA -1.389 54.669 56.048 0.017 0.000 1.445 397 H CB 1.867 31.699 29.762 0.116 0.000 1.449 397 H HN 0.011 nan 8.280 nan 0.000 0.581 398 P HA -0.173 nan 4.420 nan 0.000 0.216 398 P C 0.634 177.986 177.300 0.086 0.000 1.154 398 P CA 1.282 64.314 63.100 -0.113 0.000 0.865 398 P CB 0.388 31.927 31.700 -0.269 0.000 0.789 399 D N -0.764 119.826 120.400 0.316 0.000 2.363 399 D HA 0.209 4.848 4.640 -0.001 0.000 0.226 399 D C 1.339 177.683 176.300 0.073 0.000 1.020 399 D CA 1.077 55.163 54.000 0.144 0.000 0.892 399 D CB -0.415 40.434 40.800 0.080 0.000 0.900 399 D HN 0.244 nan 8.370 nan 0.000 0.531 400 G N 0.442 109.320 108.800 0.130 0.000 2.796 400 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.571 400 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.571 400 G C -1.895 173.016 174.900 0.018 0.000 1.370 400 G CA -0.676 44.462 45.100 0.064 0.000 0.856 400 G HN -0.072 nan 8.290 nan 0.000 0.538 401 P HA -0.290 nan 4.420 nan 0.000 0.211 401 P C 2.359 179.626 177.300 -0.055 0.000 0.948 401 P CA 3.589 66.681 63.100 -0.013 0.000 1.010 401 P CB -0.399 31.278 31.700 -0.038 0.000 0.737 402 A N -0.925 121.851 122.820 -0.073 0.000 1.997 402 A HA -0.238 4.081 4.320 -0.001 0.000 0.221 402 A C 2.314 179.822 177.584 -0.127 0.000 1.172 402 A CA 2.821 54.803 52.037 -0.091 0.000 0.645 402 A CB -1.622 17.330 19.000 -0.081 0.000 0.813 402 A HN 0.315 nan 8.150 nan 0.000 0.454 403 A N -0.731 121.974 122.820 -0.193 0.000 1.854 403 A HA 0.218 4.538 4.320 -0.001 0.000 0.214 403 A C 2.477 179.752 177.584 -0.516 0.000 1.192 403 A CA 1.713 53.532 52.037 -0.363 0.000 0.611 403 A CB -1.456 17.262 19.000 -0.470 0.000 0.832 403 A HN 0.810 nan 8.150 nan 0.000 0.442 404 G N -0.317 108.197 108.800 -0.476 0.000 2.469 404 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.220 404 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.220 404 G C 1.679 176.579 174.900 -0.000 0.000 1.136 404 G CA 1.712 46.749 45.100 -0.104 0.000 0.759 404 G HN 0.778 nan 8.290 nan 0.000 0.562 405 A N 0.912 123.727 122.820 -0.008 0.000 1.832 405 A HA 0.024 4.343 4.320 -0.001 0.000 0.214 405 A C 2.381 179.940 177.584 -0.043 0.000 1.200 405 A CA 1.577 53.652 52.037 0.063 0.000 0.610 405 A CB -0.544 18.505 19.000 0.082 0.000 0.842 405 A HN 0.295 nan 8.150 nan 0.000 0.444 406 R N -0.551 119.914 120.500 -0.059 0.000 2.204 406 R HA -0.221 4.118 4.340 -0.001 0.000 0.253 406 R C 2.223 178.488 176.300 -0.058 0.000 1.172 406 R CA 1.280 57.346 56.100 -0.057 0.000 0.994 406 R CB -0.447 29.820 30.300 -0.054 0.000 0.874 406 R HN 0.569 nan 8.270 nan 0.000 0.462 407 A N 0.124 122.906 122.820 -0.064 0.000 1.935 407 A HA -0.016 4.303 4.320 -0.001 0.000 0.214 407 A C 2.289 179.839 177.584 -0.057 0.000 1.178 407 A CA 0.628 52.665 52.037 -0.001 0.000 0.640 407 A CB -0.116 18.945 19.000 0.103 0.000 0.825 407 A HN 0.090 nan 8.150 nan 0.000 0.447 408 V N 0.178 119.992 119.914 -0.166 0.000 2.343 408 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 408 V C 2.623 178.454 176.094 -0.439 0.000 1.051 408 V CA 2.290 64.364 62.300 -0.378 0.000 1.036 408 V CB -0.759 30.581 31.823 -0.806 0.000 0.654 408 V HN 0.574 nan 8.190 nan 0.000 0.451 409 R N -0.192 120.069 120.500 -0.399 0.000 2.189 409 R HA -0.108 4.231 4.340 -0.001 0.000 0.223 409 R C 2.202 178.406 176.300 -0.161 0.000 1.092 409 R CA 1.341 57.290 56.100 -0.252 0.000 0.989 409 R CB -0.306 29.916 30.300 -0.130 0.000 0.876 409 R HN 0.614 nan 8.270 nan 0.000 0.457 410 Q N -1.179 118.547 119.800 -0.124 0.000 2.033 410 Q HA 0.032 4.372 4.340 -0.001 0.000 0.196 410 Q C 2.018 177.909 176.000 -0.182 0.000 0.970 410 Q CA 1.386 57.143 55.803 -0.076 0.000 0.828 410 Q CB -0.131 28.623 28.738 0.028 0.000 0.895 410 Q HN 0.425 nan 8.270 nan 0.000 0.440 411 A N 0.655 123.389 122.820 -0.142 0.000 2.024 411 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 411 A C 1.916 179.365 177.584 -0.225 0.000 1.164 411 A CA 1.110 53.050 52.037 -0.162 0.000 0.643 411 A CB -0.577 18.374 19.000 -0.081 0.000 0.806 411 A HN 0.336 nan 8.150 nan 0.000 0.451 412 I N -0.765 119.673 120.570 -0.220 0.000 2.406 412 I HA -0.141 4.029 4.170 -0.001 0.000 0.249 412 I C 1.684 177.673 176.117 -0.213 0.000 1.122 412 I CA 0.983 62.169 61.300 -0.189 0.000 1.431 412 I CB -0.305 37.598 38.000 -0.162 0.000 1.087 412 I HN 0.190 nan 8.210 nan 0.000 0.424 413 D N 1.223 121.466 120.400 -0.262 0.000 2.144 413 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 413 D C 2.236 178.245 176.300 -0.486 0.000 0.984 413 D CA 1.422 55.253 54.000 -0.282 0.000 0.834 413 D CB -0.032 40.647 40.800 -0.201 0.000 0.955 413 D HN 0.309 nan 8.370 nan 0.000 0.465 414 A N 1.000 123.320 122.820 -0.833 0.000 1.845 414 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 414 A C 2.407 179.766 177.584 -0.374 0.000 1.195 414 A CA 1.139 52.632 52.037 -0.907 0.000 0.616 414 A CB -0.871 17.620 19.000 -0.848 0.000 0.832 414 A HN 0.191 nan 8.150 nan 0.000 0.443 415 I N -0.441 119.971 120.570 -0.264 0.000 2.118 415 I HA -0.316 3.853 4.170 -0.001 0.000 0.241 415 I C 2.463 178.513 176.117 -0.112 0.000 1.070 415 I CA 1.471 62.683 61.300 -0.146 0.000 1.327 415 I CB -0.433 37.499 38.000 -0.113 0.000 1.034 415 I HN 0.290 nan 8.210 nan 0.000 0.405 416 M N -0.202 119.327 119.600 -0.117 0.000 2.435 416 M HA -0.215 4.264 4.480 -0.001 0.000 0.262 416 M C 1.529 177.792 176.300 -0.063 0.000 1.065 416 M CA 1.692 56.948 55.300 -0.074 0.000 1.076 416 M CB -0.862 31.699 32.600 -0.066 0.000 1.403 416 M HN 0.431 nan 8.290 nan 0.000 0.454 417 Q N -1.656 118.092 119.800 -0.088 0.000 2.189 417 Q HA 0.265 4.604 4.340 -0.001 0.000 0.223 417 Q C 1.249 177.230 176.000 -0.031 0.000 0.828 417 Q CA 0.358 56.131 55.803 -0.050 0.000 0.967 417 Q CB 0.970 29.682 28.738 -0.043 0.000 1.139 417 Q HN 0.630 nan 8.270 nan 0.000 0.497 418 G N 1.250 110.023 108.800 -0.046 0.000 2.304 418 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 418 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 418 G C 0.316 175.209 174.900 -0.011 0.000 1.014 418 G CA 0.093 45.179 45.100 -0.023 0.000 0.619 418 G HN 0.296 nan 8.290 nan 0.000 0.525 419 I N 2.862 123.430 120.570 -0.003 0.000 2.752 419 I HA 0.201 4.370 4.170 -0.001 0.000 0.286 419 I C -1.757 174.375 176.117 0.025 0.000 1.180 419 I CA -2.372 58.959 61.300 0.053 0.000 1.404 419 I CB -0.704 37.398 38.000 0.170 0.000 1.389 419 I HN -0.030 nan 8.210 nan 0.000 0.549 420 P HA 0.099 nan 4.420 nan 0.000 0.269 420 P C 1.392 178.752 177.300 0.100 0.000 1.209 420 P CA -0.128 63.001 63.100 0.048 0.000 0.776 420 P CB 0.615 32.341 31.700 0.044 0.000 0.876 421 L N 2.732 124.018 121.223 0.104 0.000 2.021 421 L HA -0.277 4.063 4.340 -0.001 0.000 0.215 421 L C 1.927 178.914 176.870 0.195 0.000 1.074 421 L CA 2.775 57.709 54.840 0.157 0.000 0.760 421 L CB -2.163 40.027 42.059 0.219 0.000 0.889 421 L HN 0.359 nan 8.230 nan 0.000 0.433 422 D N -0.293 120.216 120.400 0.181 0.000 2.117 422 D HA -0.015 4.625 4.640 -0.001 0.000 0.197 422 D C 2.278 178.657 176.300 0.132 0.000 0.987 422 D CA 1.754 55.845 54.000 0.151 0.000 0.829 422 D CB -0.425 40.459 40.800 0.140 0.000 0.961 422 D HN 0.760 nan 8.370 nan 0.000 0.460 423 E N -0.116 120.164 120.200 0.134 0.000 2.418 423 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 423 E C 1.616 178.318 176.600 0.170 0.000 1.026 423 E CA 0.440 56.914 56.400 0.122 0.000 0.862 423 E CB -0.893 28.869 29.700 0.104 0.000 0.799 423 E HN 0.500 nan 8.360 nan 0.000 0.518 424 Y N -0.543 119.803 120.300 0.077 0.000 2.509 424 Y HA 0.474 5.023 4.550 -0.001 0.000 0.270 424 Y C 2.624 178.633 175.900 0.182 0.000 1.103 424 Y CA 0.637 58.803 58.100 0.110 0.000 1.278 424 Y CB 0.245 38.722 38.460 0.029 0.000 1.087 424 Y HN 0.290 nan 8.280 nan 0.000 0.542 425 A N 0.637 123.586 122.820 0.216 0.000 1.873 425 A HA -0.155 4.165 4.320 -0.001 0.000 0.215 425 A C 2.093 179.720 177.584 0.070 0.000 1.186 425 A CA 1.702 53.832 52.037 0.155 0.000 0.616 425 A CB -0.455 18.621 19.000 0.127 0.000 0.823 425 A HN 0.434 nan 8.150 nan 0.000 0.442 426 K N -0.901 119.524 120.400 0.041 0.000 2.144 426 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 426 K C 1.747 178.308 176.600 -0.064 0.000 1.047 426 K CA 1.836 58.120 56.287 -0.006 0.000 0.927 426 K CB -0.387 32.111 32.500 -0.003 0.000 0.716 426 K HN 0.544 nan 8.250 nan 0.000 0.454 427 T N -0.799 113.685 114.554 -0.116 0.000 3.145 427 T HA 0.052 4.401 4.350 -0.001 0.000 0.255 427 T C -0.800 173.531 174.700 -0.614 0.000 1.039 427 T CA -0.400 61.512 62.100 -0.314 0.000 0.928 427 T CB 0.001 68.658 68.868 -0.351 0.000 1.029 427 T HN 0.172 nan 8.240 nan 0.000 0.554 428 H N -0.320 118.660 119.070 -0.149 0.000 3.239 428 H HA 0.480 5.035 4.556 -0.001 0.000 0.320 428 H C 0.936 176.249 175.328 -0.025 0.000 1.074 428 H CA -0.174 55.813 56.048 -0.102 0.000 1.553 428 H CB 1.344 31.030 29.762 -0.128 0.000 1.752 428 H HN 0.064 nan 8.280 nan 0.000 0.513 429 K N 2.109 122.538 120.400 0.048 0.000 1.991 429 K HA -0.198 4.121 4.320 -0.001 0.000 0.212 429 K C 1.699 178.350 176.600 0.086 0.000 1.049 429 K CA 2.206 58.518 56.287 0.042 0.000 0.932 429 K CB -0.503 32.003 32.500 0.010 0.000 0.717 429 K HN 0.639 nan 8.250 nan 0.000 0.441 430 E N 0.380 120.636 120.200 0.093 0.000 2.097 430 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 430 E C 1.991 178.737 176.600 0.245 0.000 1.000 430 E CA 1.249 57.725 56.400 0.127 0.000 0.804 430 E CB -0.364 29.330 29.700 -0.009 0.000 0.740 430 E HN 0.396 nan 8.360 nan 0.000 0.454 431 L N 0.748 122.077 121.223 0.177 0.000 2.012 431 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 431 L C 2.096 179.045 176.870 0.132 0.000 1.073 431 L CA 2.338 57.282 54.840 0.174 0.000 0.748 431 L CB -1.136 41.035 42.059 0.187 0.000 0.891 431 L HN 0.126 nan 8.230 nan 0.000 0.431 432 A N -0.525 122.356 122.820 0.101 0.000 1.902 432 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 432 A C 2.297 179.870 177.584 -0.019 0.000 1.181 432 A CA 1.423 53.485 52.037 0.042 0.000 0.623 432 A CB -0.498 18.521 19.000 0.032 0.000 0.818 432 A HN 0.472 nan 8.150 nan 0.000 0.443 433 R N -0.255 120.242 120.500 -0.005 0.000 2.091 433 R HA -0.113 4.227 4.340 -0.001 0.000 0.238 433 R C 2.421 178.497 176.300 -0.374 0.000 1.136 433 R CA 1.441 57.461 56.100 -0.134 0.000 0.959 433 R CB -1.111 29.188 30.300 -0.002 0.000 0.856 433 R HN 0.539 nan 8.270 nan 0.000 0.437 434 A N 1.438 124.105 122.820 -0.255 0.000 1.877 434 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 434 A C 2.424 179.904 177.584 -0.172 0.000 1.186 434 A CA 1.089 52.952 52.037 -0.291 0.000 0.620 434 A CB -0.619 18.527 19.000 0.244 0.000 0.822 434 A HN 0.184 nan 8.150 nan 0.000 0.443 435 L N -0.591 120.596 121.223 -0.059 0.000 2.079 435 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 435 L C 2.650 179.426 176.870 -0.156 0.000 1.081 435 L CA 1.835 56.623 54.840 -0.087 0.000 0.752 435 L CB -0.546 41.475 42.059 -0.064 0.000 0.896 435 L HN 0.631 nan 8.230 nan 0.000 0.433 436 E N 0.764 120.853 120.200 -0.186 0.000 2.110 436 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 436 E C 2.225 178.660 176.600 -0.274 0.000 0.988 436 E CA 1.391 57.674 56.400 -0.195 0.000 0.804 436 E CB 0.109 29.700 29.700 -0.182 0.000 0.745 436 E HN 0.378 nan 8.360 nan 0.000 0.458 437 K N -0.724 119.397 120.400 -0.465 0.000 2.098 437 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 437 K C 1.653 177.938 176.600 -0.525 0.000 1.051 437 K CA 1.173 57.079 56.287 -0.635 0.000 0.957 437 K CB 0.057 31.884 32.500 -1.122 0.000 0.738 437 K HN 0.241 nan 8.250 nan 0.000 0.447 438 W N 0.180 121.306 121.300 -0.290 0.000 2.792 438 W HA 0.268 4.927 4.660 -0.001 0.000 0.262 438 W C 1.282 177.597 176.519 -0.341 0.000 1.212 438 W CA 0.682 57.767 57.345 -0.435 0.000 1.433 438 W CB -0.576 28.345 29.460 -0.898 0.000 1.004 438 W HN 0.440 nan 8.180 nan 0.000 0.608 439 G N 1.485 110.238 108.800 -0.078 0.000 2.561 439 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.289 439 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.289 439 G C 0.235 175.010 174.900 -0.208 0.000 1.169 439 G CA 0.816 45.823 45.100 -0.155 0.000 0.980 439 G HN 0.444 nan 8.290 nan 0.000 0.550 440 H N -0.341 118.853 119.070 0.206 0.000 2.492 440 H HA 0.475 5.030 4.556 -0.001 0.000 0.264 440 H C 0.845 176.308 175.328 0.225 0.000 1.150 440 H CA 0.293 56.485 56.048 0.241 0.000 0.962 440 H CB 0.050 29.885 29.762 0.121 0.000 1.766 440 H HN 0.415 nan 8.280 nan 0.000 0.589 441 V N 1.966 122.074 119.914 0.323 0.000 2.963 441 V HA 0.047 4.166 4.120 -0.001 0.000 0.306 441 V C 0.280 176.538 176.094 0.273 0.000 1.077 441 V CA 0.481 62.927 62.300 0.242 0.000 1.124 441 V CB 1.314 33.234 31.823 0.161 0.000 0.987 441 V HN 0.326 nan 8.190 nan 0.000 0.487 442 T N 7.979 122.624 114.554 0.151 0.000 2.874 442 T HA 0.427 4.776 4.350 -0.001 0.000 0.321 442 T C -2.523 172.225 174.700 0.080 0.000 1.075 442 T CA -0.679 61.480 62.100 0.097 0.000 0.966 442 T CB 1.009 69.911 68.868 0.057 0.000 1.001 442 T HN 0.652 nan 8.240 nan 0.000 0.476 443 P HA 0.322 nan 4.420 nan 0.000 0.267 443 P C -0.627 176.698 177.300 0.041 0.000 1.200 443 P CA -0.248 62.887 63.100 0.058 0.000 0.772 443 P CB 0.671 32.398 31.700 0.044 0.000 0.855 444 V N 0.000 119.937 119.914 0.038 0.000 2.409 444 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.318 62.300 0.031 0.000 1.235 444 V CB 0.000 31.841 31.823 0.030 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556