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 1hc1_1_B DATA FIRST_RESID 5 DATA SEQUENCE TGNAQKQQDI NHLLDKIYEP TKYPDLKDIA ENFNPLGDTS IYNDHGAAVE DATA SEQUENCE TLMKELNDHR LLEQRHWYSL FNTRQRKEAL MLFAVLNQcK EWYcFRSNAA DATA SEQUENCE YFRERMNEGE FVYALYVSVI HSKLGDGIVL PPLYQITPHM FTNSEVIDKA DATA SEQUENCE YSAKMTQKPG TFNVSFXXXX KNREQRVAYF GEDIGMNIHH VTWHMDFPFW DATA SEQUENCE WEDSYGYHLD RKGELFFWVH HQLTARFDFE RLSNWLDPVD ELHWDRIIRE DATA SEQUENCE GFAPLTSYKY GGEFPVRPDN IHFEDVDGVA HVHDLEITES RIHEAIDHGY DATA SEQUENCE ITDSDGHTID IRQPKGIELL GDIIESSKYS SNVQYYGSLH NTAHVMLGRQ DATA SEQUENCE GDPHGKFNLP PGVMEHFETA TRDPSFFRLH KYMDNIFKKH TDSFPPYTHD DATA SEQUENCE NLEFSGMVVN GVAIDGELIT FFDEFQYSLI NAVDSGENIE DVEINARVHR DATA SEQUENCE LNHNEFTYKI TMSNNNDGER LATFRIFLcP IEDNNGITLT LDEARWFcIE DATA SEQUENCE LDKFFQKVPS GPETIERSSK DSSVTVPDMP SFQSLKEQAD NAVNGGXXLD DATA SEQUENCE LSAYERScGI PDRMLLPKSK PEGMEFNLYV AVTDGDKDTE GHXXXXXXXX DATA SEQUENCE XHAQcGVHGE AYPDNRPLGY PLERRIPDER VIDGVSNIKH VVVKIVHHL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.588 174.700 -0.187 0.000 1.109 5 T CA 0.000 61.952 62.100 -0.247 0.000 1.349 5 T CB 0.000 68.716 68.868 -0.253 0.000 0.612 6 G N 1.065 109.720 108.800 -0.242 0.000 2.477 6 G HA2 0.609 4.570 3.960 0.001 0.000 0.197 6 G HA3 0.609 4.570 3.960 0.001 0.000 0.197 6 G C 0.281 175.056 174.900 -0.208 0.000 1.860 6 G CA 0.424 45.430 45.100 -0.157 0.000 0.714 6 G HN 0.775 nan 8.290 nan 0.000 0.782 7 N N -1.314 117.251 118.700 -0.226 0.000 2.518 7 N HA -0.076 4.665 4.740 0.001 0.000 0.301 7 N C 1.453 176.848 175.510 -0.192 0.000 0.692 7 N CA 0.487 53.392 53.050 -0.242 0.000 0.847 7 N CB -0.499 37.885 38.487 -0.171 0.000 2.321 7 N HN 0.423 nan 8.380 nan 0.000 1.339 8 A N 1.151 123.892 122.820 -0.131 0.000 2.247 8 A HA 0.023 4.343 4.320 0.001 0.000 0.205 8 A C 1.600 179.126 177.584 -0.095 0.000 1.261 8 A CA 1.121 53.102 52.037 -0.094 0.000 0.853 8 A CB -0.316 18.647 19.000 -0.063 0.000 0.793 8 A HN 0.389 nan 8.150 nan 0.000 0.487 9 Q N -1.645 118.075 119.800 -0.134 0.000 2.577 9 Q HA 0.071 4.411 4.340 0.001 0.000 0.242 9 Q C 1.544 177.493 176.000 -0.085 0.000 0.818 9 Q CA -0.057 55.693 55.803 -0.088 0.000 0.962 9 Q CB 0.185 28.883 28.738 -0.066 0.000 1.272 9 Q HN 0.537 nan 8.270 nan 0.000 0.593 10 K N 1.174 121.389 120.400 -0.308 0.000 2.015 10 K HA -0.272 4.049 4.320 0.001 0.000 0.220 10 K C 2.003 178.537 176.600 -0.110 0.000 1.055 10 K CA 1.686 57.622 56.287 -0.586 0.000 0.951 10 K CB -0.252 31.593 32.500 -1.092 0.000 0.725 10 K HN 0.225 nan 8.250 nan 0.000 0.449 11 Q N 0.664 120.371 119.800 -0.155 0.000 2.047 11 Q HA -0.318 4.022 4.340 0.001 0.000 0.211 11 Q C 2.381 178.344 176.000 -0.063 0.000 1.005 11 Q CA 2.224 57.979 55.803 -0.080 0.000 0.866 11 Q CB -0.284 28.406 28.738 -0.080 0.000 0.938 11 Q HN 0.421 nan 8.270 nan 0.000 0.414 12 Q N 0.434 120.170 119.800 -0.107 0.000 2.029 12 Q HA -0.233 4.107 4.340 0.001 0.000 0.209 12 Q C 1.636 177.417 176.000 -0.365 0.000 0.999 12 Q CA 2.166 57.820 55.803 -0.248 0.000 0.857 12 Q CB -0.108 28.512 28.738 -0.197 0.000 0.926 12 Q HN 0.366 nan 8.270 nan 0.000 0.415 13 D N -0.056 120.272 120.400 -0.120 0.000 2.137 13 D HA -0.214 4.427 4.640 0.001 0.000 0.189 13 D C 2.005 178.325 176.300 0.034 0.000 0.998 13 D CA 1.765 55.764 54.000 -0.001 0.000 0.839 13 D CB -0.264 40.685 40.800 0.249 0.000 0.962 13 D HN 0.291 nan 8.370 nan 0.000 0.446 14 I N 2.299 122.946 120.570 0.129 0.000 2.113 14 I HA -0.303 3.868 4.170 0.001 0.000 0.242 14 I C 2.053 178.226 176.117 0.093 0.000 1.064 14 I CA 1.202 62.573 61.300 0.118 0.000 1.320 14 I CB -0.671 37.389 38.000 0.100 0.000 1.028 14 I HN 0.064 nan 8.210 nan 0.000 0.406 15 N N -0.557 118.189 118.700 0.077 0.000 2.192 15 N HA -0.230 4.510 4.740 0.001 0.000 0.188 15 N C 1.863 177.557 175.510 0.307 0.000 1.013 15 N CA 1.657 54.881 53.050 0.291 0.000 0.863 15 N CB -0.599 38.066 38.487 0.296 0.000 0.990 15 N HN 0.638 nan 8.380 nan 0.000 0.430 16 H N 0.867 119.896 119.070 -0.067 0.000 2.299 16 H HA 0.035 4.592 4.556 0.001 0.000 0.302 16 H C 2.347 177.568 175.328 -0.178 0.000 1.078 16 H CA 0.658 56.450 56.048 -0.426 0.000 1.323 16 H CB 0.036 29.364 29.762 -0.724 0.000 1.381 16 H HN 0.061 nan 8.280 nan 0.000 0.498 17 L N 0.520 121.804 121.223 0.102 0.000 2.012 17 L HA -0.190 4.151 4.340 0.001 0.000 0.210 17 L C 1.281 178.267 176.870 0.193 0.000 1.073 17 L CA 1.109 56.034 54.840 0.142 0.000 0.748 17 L CB -0.153 42.034 42.059 0.214 0.000 0.891 17 L HN 0.256 nan 8.230 nan 0.000 0.431 18 L N -0.972 120.373 121.223 0.202 0.000 2.912 18 L HA 0.221 4.561 4.340 0.001 0.000 0.240 18 L C -0.220 176.760 176.870 0.184 0.000 1.262 18 L CA -0.403 54.543 54.840 0.178 0.000 1.058 18 L CB -0.355 41.744 42.059 0.066 0.000 1.383 18 L HN 0.023 nan 8.230 nan 0.000 0.512 19 D N 1.106 121.687 120.400 0.300 0.000 2.210 19 D HA 0.165 4.806 4.640 0.001 0.000 0.249 19 D C 0.159 176.630 176.300 0.286 0.000 1.062 19 D CA -0.415 53.845 54.000 0.433 0.000 0.891 19 D CB 0.748 41.836 40.800 0.479 0.000 1.186 19 D HN 0.011 nan 8.370 nan 0.000 0.432 20 K N 2.927 123.495 120.400 0.280 0.000 3.602 20 K HA -0.239 4.082 4.320 0.001 0.000 0.274 20 K C 0.852 177.533 176.600 0.136 0.000 0.864 20 K CA -0.027 56.393 56.287 0.222 0.000 0.682 20 K CB -1.152 31.471 32.500 0.204 0.000 1.576 20 K HN 0.508 nan 8.250 nan 0.000 0.447 21 I N -0.248 120.335 120.570 0.021 0.000 2.567 21 I HA -0.238 3.933 4.170 0.001 0.000 0.257 21 I C 1.359 177.362 176.117 -0.189 0.000 1.184 21 I CA 1.433 62.658 61.300 -0.123 0.000 1.451 21 I CB -0.071 37.801 38.000 -0.212 0.000 1.089 21 I HN 0.328 nan 8.210 nan 0.000 0.441 22 Y N 1.754 122.161 120.300 0.179 0.000 2.553 22 Y HA 0.167 4.717 4.550 0.001 0.000 0.303 22 Y C 0.394 176.406 175.900 0.186 0.000 1.194 22 Y CA -0.159 58.071 58.100 0.217 0.000 1.305 22 Y CB -0.684 37.909 38.460 0.222 0.000 1.045 22 Y HN 0.369 nan 8.280 nan 0.000 0.514 23 E N -0.822 119.495 120.200 0.196 0.000 2.372 23 E HA 0.327 4.678 4.350 0.001 0.000 0.279 23 E C -3.023 173.617 176.600 0.066 0.000 0.946 23 E CA -2.824 53.657 56.400 0.134 0.000 0.769 23 E CB 1.594 31.383 29.700 0.148 0.000 1.230 23 E HN -0.239 nan 8.360 nan 0.000 0.442 24 P HA -0.136 nan 4.420 nan 0.000 0.263 24 P C 0.033 177.346 177.300 0.022 0.000 1.168 24 P CA 0.389 63.489 63.100 0.001 0.000 0.759 24 P CB 0.195 31.892 31.700 -0.004 0.000 0.782 25 T N -0.099 114.465 114.554 0.016 0.000 2.913 25 T HA 0.189 4.540 4.350 0.001 0.000 0.297 25 T C 0.998 175.739 174.700 0.069 0.000 1.029 25 T CA -0.616 61.530 62.100 0.076 0.000 1.104 25 T CB 1.128 70.068 68.868 0.121 0.000 0.964 25 T HN 0.313 nan 8.240 nan 0.000 0.532 26 K N 0.342 120.794 120.400 0.086 0.000 2.404 26 K HA 0.094 4.415 4.320 0.001 0.000 0.194 26 K C -0.584 175.955 176.600 -0.101 0.000 1.023 26 K CA 0.155 56.415 56.287 -0.045 0.000 1.094 26 K CB 0.144 32.568 32.500 -0.127 0.000 0.841 26 K HN 0.602 nan 8.250 nan 0.000 0.523 27 Y N 1.696 121.953 120.300 -0.072 0.000 2.454 27 Y HA 0.130 4.681 4.550 0.001 0.000 0.345 27 Y C -1.615 174.265 175.900 -0.033 0.000 0.970 27 Y CA -2.757 55.286 58.100 -0.096 0.000 1.204 27 Y CB 0.678 39.023 38.460 -0.192 0.000 1.122 27 Y HN -0.039 nan 8.280 nan 0.000 0.514 28 P HA -0.322 nan 4.420 nan 0.000 0.222 28 P C 0.889 178.239 177.300 0.083 0.000 1.157 28 P CA 2.278 65.415 63.100 0.062 0.000 0.905 28 P CB 0.344 32.074 31.700 0.049 0.000 0.792 29 D N -0.205 120.262 120.400 0.112 0.000 2.117 29 D HA -0.128 4.513 4.640 0.001 0.000 0.198 29 D C 2.293 178.645 176.300 0.086 0.000 0.982 29 D CA 0.932 54.993 54.000 0.103 0.000 0.828 29 D CB -1.169 39.706 40.800 0.125 0.000 0.967 29 D HN 0.227 nan 8.370 nan 0.000 0.464 30 L N 1.083 122.365 121.223 0.098 0.000 2.012 30 L HA -0.208 4.133 4.340 0.001 0.000 0.210 30 L C 2.731 179.623 176.870 0.036 0.000 1.073 30 L CA 1.881 56.752 54.840 0.053 0.000 0.748 30 L CB -0.537 41.555 42.059 0.055 0.000 0.891 30 L HN 0.099 nan 8.230 nan 0.000 0.431 31 K N 0.027 120.457 120.400 0.050 0.000 2.097 31 K HA -0.195 4.125 4.320 0.001 0.000 0.206 31 K C 1.506 178.130 176.600 0.039 0.000 1.049 31 K CA 1.665 57.969 56.287 0.029 0.000 0.933 31 K CB -0.625 31.887 32.500 0.021 0.000 0.717 31 K HN 0.495 nan 8.250 nan 0.000 0.442 32 D N 1.791 122.223 120.400 0.054 0.000 2.312 32 D HA -0.113 4.528 4.640 0.001 0.000 0.211 32 D C 1.898 178.251 176.300 0.087 0.000 0.964 32 D CA 0.535 54.572 54.000 0.063 0.000 0.877 32 D CB -0.100 40.737 40.800 0.061 0.000 0.924 32 D HN 0.310 nan 8.370 nan 0.000 0.515 33 I N 1.715 122.331 120.570 0.077 0.000 2.142 33 I HA -0.245 3.925 4.170 0.001 0.000 0.240 33 I C 2.860 179.048 176.117 0.119 0.000 1.078 33 I CA 1.198 62.549 61.300 0.085 0.000 1.343 33 I CB -0.779 37.227 38.000 0.011 0.000 1.046 33 I HN 0.003 nan 8.210 nan 0.000 0.405 34 A N 0.304 123.154 122.820 0.050 0.000 2.054 34 A HA -0.251 4.070 4.320 0.001 0.000 0.223 34 A C 2.166 179.784 177.584 0.057 0.000 1.169 34 A CA 2.079 54.123 52.037 0.011 0.000 0.655 34 A CB -0.495 18.476 19.000 -0.048 0.000 0.812 34 A HN 0.586 nan 8.150 nan 0.000 0.462 35 E N -1.617 118.639 120.200 0.093 0.000 2.207 35 E HA -0.009 4.342 4.350 0.001 0.000 0.197 35 E C 1.405 178.088 176.600 0.137 0.000 0.914 35 E CA 0.301 56.757 56.400 0.092 0.000 0.914 35 E CB -0.083 29.651 29.700 0.057 0.000 0.893 35 E HN 0.520 nan 8.360 nan 0.000 0.479 36 N N 0.644 119.426 118.700 0.137 0.000 2.354 36 N HA -0.044 4.697 4.740 0.001 0.000 0.179 36 N C 0.544 176.138 175.510 0.139 0.000 1.021 36 N CA 0.281 53.403 53.050 0.120 0.000 0.887 36 N CB -0.115 38.434 38.487 0.103 0.000 0.974 36 N HN -0.004 nan 8.380 nan 0.000 0.437 37 F N 2.085 122.053 119.950 0.031 0.000 2.545 37 F HA 0.052 4.580 4.527 0.001 0.000 0.348 37 F C 0.782 176.469 175.800 -0.187 0.000 1.163 37 F CA 0.247 58.209 58.000 -0.065 0.000 1.331 37 F CB 0.471 39.419 39.000 -0.086 0.000 1.138 37 F HN -0.082 nan 8.300 nan 0.000 0.602 38 N N 5.893 124.119 118.700 -0.789 0.000 2.621 38 N HA 0.234 4.975 4.740 0.001 0.000 0.271 38 N C -2.458 172.650 175.510 -0.670 0.000 1.181 38 N CA -1.494 51.211 53.050 -0.574 0.000 0.805 38 N CB 1.839 40.137 38.487 -0.316 0.000 1.351 38 N HN 0.177 nan 8.380 nan 0.000 0.539 39 P HA -0.048 nan 4.420 nan 0.000 0.226 39 P C 0.709 178.068 177.300 0.098 0.000 1.146 39 P CA 0.570 63.649 63.100 -0.036 0.000 0.773 39 P CB 0.366 32.100 31.700 0.056 0.000 0.772 40 L N -1.450 119.737 121.223 -0.060 0.000 2.872 40 L HA 0.411 4.752 4.340 0.001 0.000 0.245 40 L C 1.496 178.341 176.870 -0.042 0.000 1.211 40 L CA 0.230 55.065 54.840 -0.009 0.000 1.013 40 L CB -0.621 41.418 42.059 -0.033 0.000 1.326 40 L HN -0.061 nan 8.230 nan 0.000 0.525 41 G N -1.299 107.441 108.800 -0.100 0.000 3.969 41 G HA2 0.221 4.181 3.960 0.001 0.000 0.291 41 G HA3 0.221 4.181 3.960 0.001 0.000 0.291 41 G C -0.162 174.704 174.900 -0.057 0.000 1.016 41 G CA 0.027 45.077 45.100 -0.084 0.000 0.819 41 G HN 0.168 nan 8.290 nan 0.000 0.493 42 D N 0.113 120.499 120.400 -0.023 0.000 3.709 42 D HA -0.004 4.637 4.640 0.001 0.000 0.246 42 D C -0.062 176.255 176.300 0.029 0.000 1.445 42 D CA -0.337 53.663 54.000 0.000 0.000 0.861 42 D CB -0.545 40.247 40.800 -0.015 0.000 1.433 42 D HN -0.119 nan 8.370 nan 0.000 0.723 43 T N 0.711 115.333 114.554 0.113 0.000 3.058 43 T HA 0.275 4.626 4.350 0.001 0.000 0.249 43 T C 0.965 175.794 174.700 0.215 0.000 0.949 43 T CA 1.109 63.361 62.100 0.253 0.000 1.204 43 T CB 0.206 69.194 68.868 0.199 0.000 0.963 43 T HN 0.276 nan 8.240 nan 0.000 0.634 44 S N 1.953 117.720 115.700 0.112 0.000 1.913 44 S HA 0.016 4.487 4.470 0.001 0.000 0.231 44 S C 1.519 176.116 174.600 -0.004 0.000 0.854 44 S CA -0.144 58.119 58.200 0.105 0.000 1.513 44 S CB -0.274 62.974 63.200 0.078 0.000 1.020 44 S HN 0.597 nan 8.310 nan 0.000 0.455 45 I N 0.301 120.765 120.570 -0.177 0.000 2.676 45 I HA 0.189 4.360 4.170 0.001 0.000 0.259 45 I C 0.075 176.078 176.117 -0.190 0.000 1.194 45 I CA 0.423 61.589 61.300 -0.223 0.000 1.473 45 I CB -0.827 36.958 38.000 -0.358 0.000 1.096 45 I HN 0.169 nan 8.210 nan 0.000 0.443 46 Y N 3.360 123.674 120.300 0.024 0.000 2.402 46 Y HA 0.163 4.713 4.550 0.001 0.000 0.333 46 Y C 1.334 177.171 175.900 -0.105 0.000 1.076 46 Y CA -0.710 57.371 58.100 -0.031 0.000 1.299 46 Y CB -0.320 38.115 38.460 -0.041 0.000 1.197 46 Y HN 0.094 nan 8.280 nan 0.000 0.517 47 N N 2.512 121.251 118.700 0.065 0.000 2.485 47 N HA -0.095 4.646 4.740 0.001 0.000 0.199 47 N C 0.133 175.543 175.510 -0.168 0.000 1.236 47 N CA 0.544 53.555 53.050 -0.065 0.000 0.852 47 N CB 0.180 38.660 38.487 -0.012 0.000 1.018 47 N HN 0.721 nan 8.380 nan 0.000 0.457 48 D N -1.226 119.086 120.400 -0.148 0.000 2.449 48 D HA -0.039 4.601 4.640 0.001 0.000 0.210 48 D C -0.072 176.141 176.300 -0.147 0.000 1.094 48 D CA -0.014 53.906 54.000 -0.134 0.000 0.846 48 D CB -0.230 40.523 40.800 -0.078 0.000 1.003 48 D HN 0.204 nan 8.370 nan 0.000 0.504 49 H N -0.359 118.785 119.070 0.123 0.000 2.969 49 H HA -0.024 4.533 4.556 0.001 0.000 0.269 49 H C 0.979 176.356 175.328 0.082 0.000 1.230 49 H CA 0.516 56.632 56.048 0.113 0.000 1.123 49 H CB -1.827 27.975 29.762 0.067 0.000 1.289 49 H HN 0.443 nan 8.280 nan 0.000 0.364 50 G N -0.267 108.573 108.800 0.067 0.000 2.372 50 G HA2 -0.125 3.836 3.960 0.001 0.000 0.297 50 G HA3 -0.125 3.836 3.960 0.001 0.000 0.297 50 G C 1.065 175.860 174.900 -0.175 0.000 1.005 50 G CA 0.664 45.641 45.100 -0.205 0.000 1.173 50 G HN 1.092 nan 8.290 nan 0.000 0.511 51 A N -0.046 122.708 122.820 -0.110 0.000 1.969 51 A HA 0.373 4.694 4.320 0.001 0.000 0.218 51 A C 2.765 180.275 177.584 -0.123 0.000 1.169 51 A CA 2.122 54.115 52.037 -0.073 0.000 0.635 51 A CB -0.492 18.489 19.000 -0.033 0.000 0.810 51 A HN 1.898 nan 8.150 nan 0.000 0.445 52 A N -0.069 122.638 122.820 -0.188 0.000 1.873 52 A HA -0.001 4.319 4.320 0.001 0.000 0.215 52 A C 2.199 179.655 177.584 -0.213 0.000 1.186 52 A CA 1.895 53.818 52.037 -0.192 0.000 0.616 52 A CB -1.125 17.745 19.000 -0.217 0.000 0.823 52 A HN 0.644 nan 8.150 nan 0.000 0.442 53 V N -0.232 119.498 119.914 -0.307 0.000 2.392 53 V HA -0.280 3.840 4.120 0.001 0.000 0.249 53 V C 2.179 178.226 176.094 -0.078 0.000 1.059 53 V CA 2.216 64.389 62.300 -0.211 0.000 1.051 53 V CB -1.161 30.383 31.823 -0.465 0.000 0.658 53 V HN 0.603 nan 8.190 nan 0.000 0.455 54 E N 0.175 120.317 120.200 -0.096 0.000 2.204 54 E HA -0.130 4.220 4.350 0.001 0.000 0.194 54 E C 2.199 178.781 176.600 -0.031 0.000 0.989 54 E CA 1.572 57.947 56.400 -0.041 0.000 0.824 54 E CB -0.063 29.616 29.700 -0.035 0.000 0.756 54 E HN 0.659 nan 8.360 nan 0.000 0.477 55 T N 0.640 115.161 114.554 -0.055 0.000 3.044 55 T HA -0.013 4.338 4.350 0.001 0.000 0.255 55 T C 1.486 176.155 174.700 -0.052 0.000 1.073 55 T CA -0.008 62.064 62.100 -0.047 0.000 1.125 55 T CB 0.151 68.989 68.868 -0.050 0.000 0.908 55 T HN 0.022 nan 8.240 nan 0.000 0.480 56 L N 1.352 122.531 121.223 -0.073 0.000 2.095 56 L HA 0.173 4.514 4.340 0.001 0.000 0.204 56 L C 2.017 178.899 176.870 0.019 0.000 1.080 56 L CA 1.547 56.331 54.840 -0.092 0.000 0.759 56 L CB -1.015 40.879 42.059 -0.275 0.000 0.914 56 L HN 0.099 nan 8.230 nan 0.000 0.439 57 M N 0.027 119.673 119.600 0.077 0.000 2.110 57 M HA -0.311 4.169 4.480 0.001 0.000 0.257 57 M C 2.249 178.595 176.300 0.077 0.000 1.071 57 M CA 1.836 57.217 55.300 0.135 0.000 1.096 57 M CB -1.401 31.273 32.600 0.123 0.000 1.300 57 M HN 0.295 nan 8.290 nan 0.000 0.411 58 K N -0.115 120.307 120.400 0.036 0.000 2.160 58 K HA -0.199 4.121 4.320 0.001 0.000 0.206 58 K C 1.785 178.395 176.600 0.017 0.000 1.047 58 K CA 1.291 57.588 56.287 0.016 0.000 0.930 58 K CB 0.148 32.651 32.500 0.005 0.000 0.720 58 K HN 0.282 nan 8.250 nan 0.000 0.450 59 E N 0.686 120.897 120.200 0.018 0.000 2.051 59 E HA -0.154 4.196 4.350 0.001 0.000 0.189 59 E C 1.963 178.588 176.600 0.042 0.000 0.979 59 E CA 0.530 56.941 56.400 0.019 0.000 0.803 59 E CB -0.394 29.306 29.700 0.000 0.000 0.761 59 E HN 0.206 nan 8.360 nan 0.000 0.451 60 L N 2.187 123.451 121.223 0.069 0.000 2.189 60 L HA -0.159 4.182 4.340 0.001 0.000 0.214 60 L C 1.549 178.451 176.870 0.053 0.000 1.097 60 L CA 1.542 56.444 54.840 0.104 0.000 0.764 60 L CB -0.536 41.651 42.059 0.212 0.000 0.900 60 L HN 0.027 nan 8.230 nan 0.000 0.436 61 N N -0.141 118.573 118.700 0.024 0.000 2.124 61 N HA -0.125 4.616 4.740 0.001 0.000 0.188 61 N C 1.166 176.596 175.510 -0.133 0.000 1.045 61 N CA 1.581 54.597 53.050 -0.055 0.000 0.846 61 N CB -0.267 38.210 38.487 -0.017 0.000 1.020 61 N HN 0.360 nan 8.380 nan 0.000 0.432 62 D N 0.750 121.128 120.400 -0.038 0.000 2.392 62 D HA -0.081 4.559 4.640 0.001 0.000 0.228 62 D C -0.266 176.113 176.300 0.131 0.000 1.003 62 D CA 0.346 54.348 54.000 0.003 0.000 0.917 62 D CB -0.786 40.034 40.800 0.033 0.000 0.890 62 D HN 0.539 nan 8.370 nan 0.000 0.532 63 H N -0.648 118.426 119.070 0.006 0.000 2.514 63 H HA -0.219 4.338 4.556 0.001 0.000 0.318 63 H C -0.133 175.186 175.328 -0.016 0.000 0.994 63 H CA 0.366 56.412 56.048 -0.003 0.000 1.056 63 H CB -2.054 27.702 29.762 -0.010 0.000 1.621 63 H HN 0.402 nan 8.280 nan 0.000 0.360 64 R N 0.142 120.714 120.500 0.121 0.000 2.616 64 R HA 0.425 4.766 4.340 0.001 0.000 0.427 64 R C -0.502 175.805 176.300 0.012 0.000 1.030 64 R CA -0.739 55.390 56.100 0.048 0.000 1.133 64 R CB 0.578 30.903 30.300 0.042 0.000 1.444 64 R HN 0.172 nan 8.270 nan 0.000 0.578 65 L N 1.213 122.448 121.223 0.019 0.000 2.375 65 L HA 0.401 4.742 4.340 0.001 0.000 0.268 65 L C -0.010 176.831 176.870 -0.048 0.000 1.058 65 L CA -1.252 53.582 54.840 -0.011 0.000 0.803 65 L CB 1.425 43.494 42.059 0.017 0.000 1.212 65 L HN 0.214 nan 8.230 nan 0.000 0.451 66 L N 2.576 123.752 121.223 -0.077 0.000 2.485 66 L HA 0.088 4.429 4.340 0.001 0.000 0.275 66 L C 0.096 176.888 176.870 -0.130 0.000 1.207 66 L CA -0.194 54.555 54.840 -0.152 0.000 0.855 66 L CB 0.466 42.429 42.059 -0.160 0.000 1.114 66 L HN 0.722 nan 8.230 nan 0.000 0.485 67 E N 3.487 123.581 120.200 -0.177 0.000 2.392 67 E HA 0.113 4.464 4.350 0.001 0.000 0.259 67 E C -0.698 175.862 176.600 -0.067 0.000 1.108 67 E CA -0.424 55.905 56.400 -0.118 0.000 0.916 67 E CB 0.544 30.168 29.700 -0.127 0.000 0.989 67 E HN 0.552 nan 8.360 nan 0.000 0.432 68 Q N 0.616 120.393 119.800 -0.038 0.000 2.237 68 Q HA 0.298 4.639 4.340 0.001 0.000 0.219 68 Q C -0.456 175.527 176.000 -0.028 0.000 0.999 68 Q CA -0.714 55.089 55.803 -0.001 0.000 0.959 68 Q CB 0.684 29.412 28.738 -0.017 0.000 1.173 68 Q HN 0.375 nan 8.270 nan 0.000 0.527 69 R N 0.877 121.363 120.500 -0.024 0.000 3.333 69 R HA -0.206 4.135 4.340 0.001 0.000 0.256 69 R C -0.635 175.575 176.300 -0.149 0.000 1.010 69 R CA 0.500 56.357 56.100 -0.405 0.000 0.680 69 R CB -1.682 28.229 30.300 -0.649 0.000 1.102 69 R HN 0.565 nan 8.270 nan 0.000 0.440 70 H N -0.457 118.645 119.070 0.054 0.000 3.037 70 H HA 0.248 4.804 4.556 0.001 0.000 0.355 70 H C -0.314 175.093 175.328 0.132 0.000 1.263 70 H CA -0.610 55.437 56.048 -0.001 0.000 1.129 70 H CB 1.096 30.756 29.762 -0.169 0.000 1.861 70 H HN 0.247 nan 8.280 nan 0.000 0.546 71 W N 2.891 124.116 121.300 -0.124 0.000 2.030 71 W HA 0.449 5.110 4.660 0.001 0.000 0.371 71 W C -1.414 175.429 176.519 0.540 0.000 1.456 71 W CA -0.791 56.727 57.345 0.288 0.000 1.570 71 W CB -0.212 29.314 29.460 0.110 0.000 1.249 71 W HN 0.532 nan 8.180 nan 0.000 0.677 72 Y N 0.934 121.779 120.300 0.908 0.000 2.519 72 Y HA 0.435 4.986 4.550 0.001 0.000 0.336 72 Y C -1.379 175.005 175.900 0.807 0.000 1.089 72 Y CA -1.274 57.215 58.100 0.648 0.000 1.025 72 Y CB 1.423 40.069 38.460 0.310 0.000 1.318 72 Y HN 0.593 nan 8.280 nan 0.000 0.452 73 S N 5.477 121.120 115.700 -0.096 0.000 2.513 73 S HA 0.407 4.878 4.470 0.001 0.000 0.299 73 S C -0.235 173.956 174.600 -0.682 0.000 1.087 73 S CA -0.742 57.313 58.200 -0.242 0.000 1.012 73 S CB 1.787 64.866 63.200 -0.202 0.000 1.044 73 S HN 1.085 nan 8.310 nan 0.000 0.485 74 L N 2.043 122.903 121.223 -0.605 0.000 2.478 74 L HA 0.413 4.754 4.340 0.001 0.000 0.223 74 L C 0.902 177.432 176.870 -0.567 0.000 1.140 74 L CA 1.324 55.759 54.840 -0.675 0.000 0.842 74 L CB -0.869 40.754 42.059 -0.727 0.000 0.953 74 L HN 0.803 nan 8.230 nan 0.000 0.452 75 F N -0.826 118.954 119.950 -0.284 0.000 2.664 75 F HA 0.134 4.661 4.527 0.001 0.000 0.296 75 F C 1.139 176.880 175.800 -0.098 0.000 1.125 75 F CA -0.225 57.671 58.000 -0.173 0.000 1.444 75 F CB -0.460 38.420 39.000 -0.200 0.000 1.114 75 F HN 0.119 nan 8.300 nan 0.000 0.576 76 N N 0.571 119.287 118.700 0.026 0.000 2.429 76 N HA -0.055 4.686 4.740 0.001 0.000 0.271 76 N C 1.178 176.712 175.510 0.040 0.000 1.272 76 N CA 0.412 53.496 53.050 0.058 0.000 0.921 76 N CB 0.590 39.128 38.487 0.086 0.000 1.128 76 N HN 0.119 nan 8.380 nan 0.000 0.481 77 T N 1.089 115.675 114.554 0.054 0.000 2.946 77 T HA -0.188 4.162 4.350 0.001 0.000 0.271 77 T C 1.658 176.379 174.700 0.035 0.000 1.104 77 T CA 1.025 63.154 62.100 0.048 0.000 1.114 77 T CB -0.029 68.872 68.868 0.055 0.000 0.867 77 T HN 0.537 nan 8.240 nan 0.000 0.513 78 R N 0.896 121.415 120.500 0.031 0.000 2.103 78 R HA 0.129 4.470 4.340 0.001 0.000 0.212 78 R C 2.583 178.902 176.300 0.031 0.000 1.107 78 R CA 0.383 56.496 56.100 0.021 0.000 1.025 78 R CB -0.110 30.195 30.300 0.008 0.000 0.929 78 R HN 0.378 nan 8.270 nan 0.000 0.456 79 Q N 0.130 119.964 119.800 0.056 0.000 2.248 79 Q HA -0.218 4.122 4.340 0.001 0.000 0.208 79 Q C 2.032 178.138 176.000 0.176 0.000 0.984 79 Q CA 1.524 57.424 55.803 0.161 0.000 0.875 79 Q CB -0.152 28.739 28.738 0.256 0.000 0.910 79 Q HN 0.272 nan 8.270 nan 0.000 0.433 80 R N 1.309 121.833 120.500 0.040 0.000 2.061 80 R HA -0.137 4.203 4.340 0.001 0.000 0.230 80 R C 1.965 178.232 176.300 -0.056 0.000 1.140 80 R CA 1.503 57.581 56.100 -0.037 0.000 0.940 80 R CB 0.065 30.329 30.300 -0.060 0.000 0.839 80 R HN 0.023 nan 8.270 nan 0.000 0.429 81 K N 0.447 120.831 120.400 -0.027 0.000 2.059 81 K HA -0.225 4.095 4.320 0.001 0.000 0.212 81 K C 2.033 178.601 176.600 -0.054 0.000 1.050 81 K CA 2.370 58.633 56.287 -0.039 0.000 0.927 81 K CB -0.084 32.409 32.500 -0.011 0.000 0.714 81 K HN 0.313 nan 8.250 nan 0.000 0.447 82 E N -0.058 120.124 120.200 -0.029 0.000 2.023 82 E HA -0.245 4.106 4.350 0.001 0.000 0.196 82 E C 2.068 178.621 176.600 -0.079 0.000 1.003 82 E CA 1.207 57.577 56.400 -0.049 0.000 0.809 82 E CB -0.237 29.447 29.700 -0.027 0.000 0.755 82 E HN 0.380 nan 8.360 nan 0.000 0.449 83 A N 1.229 124.019 122.820 -0.051 0.000 1.881 83 A HA -0.255 4.066 4.320 0.001 0.000 0.219 83 A C 2.170 179.702 177.584 -0.086 0.000 1.215 83 A CA 1.776 53.784 52.037 -0.049 0.000 0.648 83 A CB -0.918 18.101 19.000 0.031 0.000 0.832 83 A HN 0.232 nan 8.150 nan 0.000 0.455 84 L N 0.038 121.166 121.223 -0.158 0.000 2.362 84 L HA -0.108 4.232 4.340 0.001 0.000 0.219 84 L C 2.583 179.374 176.870 -0.133 0.000 1.134 84 L CA 1.750 56.433 54.840 -0.263 0.000 0.807 84 L CB -0.489 41.278 42.059 -0.487 0.000 0.927 84 L HN 0.576 nan 8.230 nan 0.000 0.447 85 M N -3.034 116.491 119.600 -0.125 0.000 2.288 85 M HA -0.144 4.336 4.480 0.001 0.000 0.266 85 M C 2.216 178.401 176.300 -0.192 0.000 1.072 85 M CA 1.495 56.713 55.300 -0.136 0.000 1.132 85 M CB -0.710 31.805 32.600 -0.141 0.000 1.386 85 M HN 0.188 nan 8.290 nan 0.000 0.432 86 L N 0.403 121.501 121.223 -0.208 0.000 2.056 86 L HA -0.163 4.178 4.340 0.001 0.000 0.207 86 L C 2.694 179.456 176.870 -0.179 0.000 1.078 86 L CA 1.556 56.246 54.840 -0.250 0.000 0.749 86 L CB -0.404 41.519 42.059 -0.227 0.000 0.901 86 L HN 0.244 nan 8.230 nan 0.000 0.433 87 F N 1.070 120.858 119.950 -0.270 0.000 2.120 87 F HA -0.263 4.265 4.527 0.001 0.000 0.300 87 F C 2.284 177.937 175.800 -0.244 0.000 1.095 87 F CA 1.562 59.403 58.000 -0.264 0.000 1.249 87 F CB -0.443 38.384 39.000 -0.290 0.000 0.995 87 F HN 0.071 nan 8.300 nan 0.000 0.480 88 A N -0.412 122.207 122.820 -0.335 0.000 2.125 88 A HA -0.018 4.303 4.320 0.001 0.000 0.219 88 A C 2.110 179.515 177.584 -0.298 0.000 1.156 88 A CA 1.660 53.481 52.037 -0.359 0.000 0.671 88 A CB -1.108 17.827 19.000 -0.109 0.000 0.794 88 A HN 0.342 nan 8.150 nan 0.000 0.459 89 V N -1.029 118.720 119.914 -0.274 0.000 2.423 89 V HA -0.070 4.051 4.120 0.001 0.000 0.233 89 V C 2.194 178.193 176.094 -0.159 0.000 1.067 89 V CA 1.036 63.215 62.300 -0.201 0.000 1.073 89 V CB -0.874 30.835 31.823 -0.191 0.000 0.715 89 V HN 0.407 nan 8.190 nan 0.000 0.485 90 L N 1.154 122.223 121.223 -0.257 0.000 2.151 90 L HA -0.312 4.029 4.340 0.001 0.000 0.219 90 L C 2.173 178.910 176.870 -0.222 0.000 1.083 90 L CA 2.523 57.096 54.840 -0.446 0.000 0.782 90 L CB -1.455 40.172 42.059 -0.720 0.000 0.891 90 L HN 0.530 nan 8.230 nan 0.000 0.439 91 N N -0.357 118.144 118.700 -0.332 0.000 2.188 91 N HA -0.170 4.570 4.740 0.001 0.000 0.184 91 N C 1.050 176.510 175.510 -0.083 0.000 1.018 91 N CA 1.266 54.126 53.050 -0.317 0.000 0.858 91 N CB 0.044 38.060 38.487 -0.785 0.000 0.989 91 N HN 0.659 nan 8.380 nan 0.000 0.426 92 Q N -0.578 119.203 119.800 -0.031 0.000 2.302 92 Q HA 0.318 4.659 4.340 0.001 0.000 0.332 92 Q C -0.755 175.355 176.000 0.183 0.000 0.913 92 Q CA -0.386 55.459 55.803 0.069 0.000 1.098 92 Q CB -0.030 28.727 28.738 0.032 0.000 1.236 92 Q HN 0.135 nan 8.270 nan 0.000 0.436 93 c N 1.293 120.008 118.600 0.191 0.000 2.459 93 c HA 0.229 4.800 4.570 0.001 0.000 0.374 93 c C 1.491 175.672 174.090 0.152 0.000 1.241 93 c CA -0.331 56.105 56.329 0.179 0.000 2.352 93 c CB 1.095 43.732 42.510 0.211 0.000 2.490 93 c HN 0.668 nan 8.230 nan 0.000 0.583 94 K N 0.609 121.071 120.400 0.104 0.000 2.044 94 K HA 0.018 4.339 4.320 0.001 0.000 0.204 94 K C 0.515 177.200 176.600 0.141 0.000 1.049 94 K CA 1.155 57.508 56.287 0.110 0.000 0.945 94 K CB 0.127 32.675 32.500 0.080 0.000 0.724 94 K HN 0.726 nan 8.250 nan 0.000 0.440 95 E N -1.823 118.476 120.200 0.165 0.000 2.458 95 E HA 0.035 4.385 4.350 0.001 0.000 0.278 95 E C -0.180 176.598 176.600 0.297 0.000 1.004 95 E CA -0.789 55.739 56.400 0.214 0.000 0.823 95 E CB -0.090 29.710 29.700 0.167 0.000 1.396 95 E HN 0.104 nan 8.360 nan 0.000 0.463 96 W N 1.141 122.450 121.300 0.016 0.000 2.277 96 W HA -0.382 4.278 4.660 0.001 0.000 0.327 96 W C 1.483 178.055 176.519 0.088 0.000 1.284 96 W CA 2.259 59.608 57.345 0.007 0.000 1.277 96 W CB -0.356 29.080 29.460 -0.041 0.000 1.141 96 W HN 0.774 nan 8.180 nan 0.000 0.482 97 Y N 0.627 121.004 120.300 0.129 0.000 2.172 97 Y HA -0.382 4.168 4.550 0.001 0.000 0.280 97 Y C 2.551 178.429 175.900 -0.038 0.000 1.209 97 Y CA 2.255 60.375 58.100 0.034 0.000 1.171 97 Y CB -1.272 37.229 38.460 0.069 0.000 0.965 97 Y HN 0.052 nan 8.280 nan 0.000 0.520 98 c N -0.817 117.698 118.600 -0.142 0.000 2.485 98 c HA -0.038 4.533 4.570 0.001 0.000 0.278 98 c C 2.532 176.495 174.090 -0.212 0.000 1.356 98 c CA 0.494 56.663 56.329 -0.267 0.000 1.747 98 c CB -1.970 40.448 42.510 -0.153 0.000 2.001 98 c HN 0.622 nan 8.230 nan 0.000 0.501 99 F N 1.678 121.409 119.950 -0.365 0.000 2.074 99 F HA 0.091 4.618 4.527 0.001 0.000 0.293 99 F C 2.653 178.102 175.800 -0.585 0.000 1.116 99 F CA 1.749 59.477 58.000 -0.453 0.000 1.212 99 F CB -0.553 38.099 39.000 -0.580 0.000 0.998 99 F HN 0.058 nan 8.300 nan 0.000 0.471 100 R N -0.118 120.069 120.500 -0.522 0.000 2.112 100 R HA -0.212 4.129 4.340 0.001 0.000 0.242 100 R C 2.362 178.420 176.300 -0.405 0.000 1.137 100 R CA 1.867 57.690 56.100 -0.462 0.000 0.944 100 R CB -0.940 29.108 30.300 -0.420 0.000 0.857 100 R HN 0.263 nan 8.270 nan 0.000 0.435 101 S N 0.780 116.104 115.700 -0.626 0.000 2.414 101 S HA -0.212 4.258 4.470 0.001 0.000 0.225 101 S C 1.566 175.630 174.600 -0.894 0.000 1.041 101 S CA 2.023 59.533 58.200 -1.149 0.000 1.114 101 S CB -0.629 61.392 63.200 -1.965 0.000 1.064 101 S HN 0.400 nan 8.310 nan 0.000 0.420 102 N N 1.819 120.141 118.700 -0.630 0.000 2.011 102 N HA -0.082 4.658 4.740 0.001 0.000 0.199 102 N C 0.973 176.495 175.510 0.020 0.000 1.047 102 N CA 1.304 54.269 53.050 -0.142 0.000 0.863 102 N CB -0.318 38.252 38.487 0.137 0.000 1.056 102 N HN 0.431 nan 8.380 nan 0.000 0.427 103 A N -0.962 121.852 122.820 -0.010 0.000 3.004 103 A HA 0.563 4.883 4.320 0.001 0.000 0.252 103 A C 0.659 178.288 177.584 0.075 0.000 1.802 103 A CA 0.636 52.776 52.037 0.172 0.000 1.424 103 A CB -0.938 18.114 19.000 0.086 0.000 1.005 103 A HN 0.439 nan 8.150 nan 0.000 0.631 104 A N -0.507 122.296 122.820 -0.027 0.000 1.655 104 A HA 0.270 4.590 4.320 0.001 0.000 0.180 104 A C 1.402 178.909 177.584 -0.128 0.000 1.582 104 A CA 0.626 52.603 52.037 -0.099 0.000 1.292 104 A CB -0.788 18.127 19.000 -0.142 0.000 1.144 104 A HN 0.526 nan 8.150 nan 0.000 0.609 105 Y N 0.575 120.708 120.300 -0.279 0.000 2.069 105 Y HA -0.297 4.254 4.550 0.001 0.000 0.278 105 Y C 2.028 177.694 175.900 -0.389 0.000 1.175 105 Y CA 2.947 60.822 58.100 -0.375 0.000 1.134 105 Y CB -0.444 37.697 38.460 -0.532 0.000 0.965 105 Y HN 0.314 nan 8.280 nan 0.000 0.498 106 F N -0.027 119.962 119.950 0.065 0.000 2.084 106 F HA -0.124 4.404 4.527 0.001 0.000 0.296 106 F C 2.698 178.405 175.800 -0.154 0.000 1.111 106 F CA 1.734 59.742 58.000 0.014 0.000 1.224 106 F CB -1.102 37.987 39.000 0.147 0.000 0.991 106 F HN -0.051 nan 8.300 nan 0.000 0.471 107 R N 0.875 121.307 120.500 -0.114 0.000 2.178 107 R HA -0.241 4.100 4.340 0.001 0.000 0.257 107 R C 1.414 177.435 176.300 -0.465 0.000 1.163 107 R CA 1.950 57.606 56.100 -0.739 0.000 0.981 107 R CB -0.431 29.371 30.300 -0.830 0.000 0.878 107 R HN 0.187 nan 8.270 nan 0.000 0.454 108 E N -0.472 119.547 120.200 -0.302 0.000 2.479 108 E HA -0.017 4.333 4.350 0.001 0.000 0.193 108 E C 1.152 177.635 176.600 -0.195 0.000 1.049 108 E CA 0.493 56.752 56.400 -0.235 0.000 0.870 108 E CB 0.225 29.796 29.700 -0.215 0.000 0.944 108 E HN 0.528 nan 8.360 nan 0.000 0.492 109 R N -1.729 118.669 120.500 -0.170 0.000 2.526 109 R HA 0.296 4.637 4.340 0.001 0.000 0.346 109 R C 0.357 176.649 176.300 -0.013 0.000 0.926 109 R CA -0.113 55.927 56.100 -0.101 0.000 1.147 109 R CB 0.174 30.392 30.300 -0.136 0.000 1.629 109 R HN 0.027 nan 8.270 nan 0.000 0.516 110 M N 1.822 121.434 119.600 0.021 0.000 2.573 110 M HA 0.277 4.758 4.480 0.001 0.000 0.309 110 M C -0.138 176.172 176.300 0.016 0.000 1.202 110 M CA -0.860 54.470 55.300 0.050 0.000 0.975 110 M CB 1.660 34.327 32.600 0.111 0.000 1.600 110 M HN -0.002 nan 8.290 nan 0.000 0.479 111 N N 1.196 119.905 118.700 0.015 0.000 2.479 111 N HA -0.042 4.699 4.740 0.001 0.000 0.257 111 N C 0.122 175.672 175.510 0.067 0.000 1.232 111 N CA 0.318 53.386 53.050 0.030 0.000 0.920 111 N CB 1.014 39.507 38.487 0.011 0.000 1.105 111 N HN 0.529 nan 8.380 nan 0.000 0.444 112 E N 1.952 122.222 120.200 0.117 0.000 2.204 112 E HA -0.047 4.304 4.350 0.001 0.000 0.195 112 E C 1.609 178.291 176.600 0.138 0.000 0.990 112 E CA 1.443 57.930 56.400 0.145 0.000 0.821 112 E CB -0.359 29.442 29.700 0.168 0.000 0.750 112 E HN 0.792 nan 8.360 nan 0.000 0.477 113 G N 1.014 109.833 108.800 0.032 0.000 2.408 113 G HA2 -0.203 3.758 3.960 0.001 0.000 0.213 113 G HA3 -0.203 3.758 3.960 0.001 0.000 0.213 113 G C 1.266 175.802 174.900 -0.606 0.000 1.177 113 G CA 0.351 45.367 45.100 -0.141 0.000 0.802 113 G HN 0.249 nan 8.290 nan 0.000 0.533 114 E N -0.014 119.672 120.200 -0.856 0.000 2.049 114 E HA -0.192 4.158 4.350 0.001 0.000 0.198 114 E C 2.122 178.621 176.600 -0.170 0.000 1.007 114 E CA 1.082 57.116 56.400 -0.609 0.000 0.809 114 E CB -0.356 29.135 29.700 -0.349 0.000 0.749 114 E HN 0.399 nan 8.360 nan 0.000 0.450 115 F N 1.800 121.657 119.950 -0.156 0.000 2.091 115 F HA -0.251 4.277 4.527 0.001 0.000 0.299 115 F C 2.253 178.064 175.800 0.018 0.000 1.103 115 F CA 1.325 59.298 58.000 -0.044 0.000 1.228 115 F CB -0.233 38.754 39.000 -0.022 0.000 0.984 115 F HN -0.204 nan 8.300 nan 0.000 0.477 116 V N -0.583 119.359 119.914 0.045 0.000 2.343 116 V HA -0.318 3.802 4.120 0.001 0.000 0.247 116 V C 2.013 178.101 176.094 -0.010 0.000 1.051 116 V CA 2.139 64.452 62.300 0.021 0.000 1.036 116 V CB -1.112 30.775 31.823 0.107 0.000 0.654 116 V HN 0.533 nan 8.190 nan 0.000 0.451 117 Y N 1.373 121.620 120.300 -0.088 0.000 2.089 117 Y HA -0.249 4.302 4.550 0.001 0.000 0.282 117 Y C 2.441 178.314 175.900 -0.045 0.000 1.139 117 Y CA 1.864 59.949 58.100 -0.025 0.000 1.123 117 Y CB -0.644 37.868 38.460 0.086 0.000 0.980 117 Y HN 0.146 nan 8.280 nan 0.000 0.493 118 A N 0.003 122.786 122.820 -0.062 0.000 1.908 118 A HA -0.218 4.103 4.320 0.001 0.000 0.218 118 A C 2.219 179.682 177.584 -0.202 0.000 1.181 118 A CA 1.870 53.827 52.037 -0.134 0.000 0.627 118 A CB -1.310 17.578 19.000 -0.187 0.000 0.818 118 A HN 0.567 nan 8.150 nan 0.000 0.445 119 L N -1.686 119.305 121.223 -0.387 0.000 1.970 119 L HA -0.170 4.170 4.340 0.001 0.000 0.212 119 L C 2.411 179.245 176.870 -0.061 0.000 1.071 119 L CA 2.114 56.756 54.840 -0.330 0.000 0.751 119 L CB -0.790 40.945 42.059 -0.541 0.000 0.889 119 L HN 0.475 nan 8.230 nan 0.000 0.432 120 Y N -1.404 118.788 120.300 -0.180 0.000 2.114 120 Y HA -0.275 4.276 4.550 0.001 0.000 0.282 120 Y C 2.616 178.447 175.900 -0.115 0.000 1.165 120 Y CA 1.908 59.934 58.100 -0.123 0.000 1.148 120 Y CB -0.956 37.411 38.460 -0.154 0.000 0.972 120 Y HN 0.000 nan 8.280 nan 0.000 0.504 121 V N -1.187 118.717 119.914 -0.017 0.000 2.392 121 V HA -0.313 3.807 4.120 0.001 0.000 0.249 121 V C 2.311 178.563 176.094 0.265 0.000 1.059 121 V CA 2.207 64.504 62.300 -0.006 0.000 1.051 121 V CB -0.639 31.032 31.823 -0.252 0.000 0.658 121 V HN 0.379 nan 8.190 nan 0.000 0.455 122 S N -0.834 115.039 115.700 0.290 0.000 2.368 122 S HA -0.134 4.337 4.470 0.001 0.000 0.224 122 S C 1.880 176.737 174.600 0.428 0.000 1.029 122 S CA 1.466 59.913 58.200 0.411 0.000 0.988 122 S CB 0.036 63.287 63.200 0.085 0.000 0.838 122 S HN 0.409 nan 8.310 nan 0.000 0.462 123 V N 1.857 121.966 119.914 0.325 0.000 2.407 123 V HA -0.074 4.047 4.120 0.001 0.000 0.245 123 V C 1.969 178.128 176.094 0.107 0.000 1.041 123 V CA 1.285 63.739 62.300 0.258 0.000 1.040 123 V CB -0.575 31.331 31.823 0.140 0.000 0.671 123 V HN 0.430 nan 8.190 nan 0.000 0.455 124 I N -0.514 120.063 120.570 0.013 0.000 2.142 124 I HA -0.249 3.922 4.170 0.001 0.000 0.240 124 I C 2.485 178.382 176.117 -0.366 0.000 1.078 124 I CA 1.686 62.873 61.300 -0.189 0.000 1.343 124 I CB -0.590 37.202 38.000 -0.346 0.000 1.046 124 I HN 0.369 nan 8.210 nan 0.000 0.405 125 H N -0.489 118.634 119.070 0.088 0.000 2.520 125 H HA 0.182 4.739 4.556 0.001 0.000 0.279 125 H C 1.418 176.848 175.328 0.171 0.000 0.990 125 H CA 0.375 56.509 56.048 0.144 0.000 1.288 125 H CB 0.146 30.233 29.762 0.542 0.000 1.446 125 H HN 0.195 nan 8.280 nan 0.000 0.538 126 S N 1.495 117.401 115.700 0.343 0.000 2.564 126 S HA 0.027 4.498 4.470 0.001 0.000 0.278 126 S C 1.422 176.134 174.600 0.185 0.000 1.333 126 S CA -0.779 57.598 58.200 0.296 0.000 1.048 126 S CB 0.960 64.383 63.200 0.371 0.000 0.900 126 S HN 0.150 nan 8.310 nan 0.000 0.505 127 K N 4.015 124.530 120.400 0.191 0.000 2.059 127 K HA -0.158 4.162 4.320 0.001 0.000 0.212 127 K C 1.618 178.303 176.600 0.142 0.000 1.050 127 K CA 1.533 57.918 56.287 0.162 0.000 0.927 127 K CB -0.883 31.711 32.500 0.156 0.000 0.714 127 K HN 0.680 nan 8.250 nan 0.000 0.447 128 L N 1.044 122.361 121.223 0.157 0.000 2.737 128 L HA 0.007 4.348 4.340 0.001 0.000 0.246 128 L C 1.323 178.176 176.870 -0.029 0.000 1.153 128 L CA 0.250 55.142 54.840 0.088 0.000 0.920 128 L CB -0.309 41.858 42.059 0.179 0.000 1.090 128 L HN 0.212 nan 8.230 nan 0.000 0.430 129 G N -1.848 106.962 108.800 0.017 0.000 4.222 129 G HA2 0.038 3.998 3.960 0.001 0.000 0.301 129 G HA3 0.038 3.998 3.960 0.001 0.000 0.301 129 G C 0.555 175.423 174.900 -0.054 0.000 1.171 129 G CA -0.355 44.712 45.100 -0.055 0.000 0.937 129 G HN 0.143 nan 8.290 nan 0.000 0.557 130 D N 1.338 121.698 120.400 -0.067 0.000 2.078 130 D HA -0.120 4.521 4.640 0.001 0.000 0.193 130 D C 2.558 178.801 176.300 -0.094 0.000 0.990 130 D CA 1.580 55.546 54.000 -0.057 0.000 0.827 130 D CB -0.063 40.698 40.800 -0.064 0.000 0.975 130 D HN 0.345 nan 8.370 nan 0.000 0.451 131 G N 1.510 110.222 108.800 -0.146 0.000 2.475 131 G HA2 -0.166 3.795 3.960 0.001 0.000 0.220 131 G HA3 -0.166 3.795 3.960 0.001 0.000 0.220 131 G C 1.160 175.989 174.900 -0.118 0.000 1.125 131 G CA 0.280 45.295 45.100 -0.141 0.000 0.755 131 G HN 0.229 nan 8.290 nan 0.000 0.565 132 I N 0.639 121.127 120.570 -0.136 0.000 2.754 132 I HA 0.160 4.331 4.170 0.001 0.000 0.285 132 I C -0.184 175.899 176.117 -0.057 0.000 1.166 132 I CA -0.276 60.963 61.300 -0.101 0.000 1.417 132 I CB 1.270 39.208 38.000 -0.102 0.000 1.382 132 I HN -0.247 nan 8.210 nan 0.000 0.588 133 V N 6.885 126.773 119.914 -0.042 0.000 2.384 133 V HA 0.345 4.466 4.120 0.001 0.000 0.287 133 V C 0.188 176.237 176.094 -0.075 0.000 1.020 133 V CA -0.533 61.757 62.300 -0.016 0.000 0.850 133 V CB 1.620 33.462 31.823 0.031 0.000 0.987 133 V HN 0.446 nan 8.190 nan 0.000 0.436 134 L N 7.592 128.741 121.223 -0.123 0.000 2.395 134 L HA 0.436 4.777 4.340 0.001 0.000 0.269 134 L C -1.976 174.810 176.870 -0.140 0.000 1.133 134 L CA -1.647 53.048 54.840 -0.243 0.000 0.812 134 L CB 1.039 42.775 42.059 -0.539 0.000 1.125 134 L HN 0.425 nan 8.230 nan 0.000 0.452 135 P HA 0.137 nan 4.420 nan 0.000 0.270 135 P C -2.570 174.613 177.300 -0.193 0.000 1.223 135 P CA -1.348 61.630 63.100 -0.203 0.000 0.785 135 P CB -0.324 31.030 31.700 -0.575 0.000 0.923 136 P HA 0.142 nan 4.420 nan 0.000 0.270 136 P C 1.116 178.120 177.300 -0.495 0.000 1.242 136 P CA 0.118 62.903 63.100 -0.526 0.000 0.768 136 P CB 0.135 31.128 31.700 -1.178 0.000 0.820 137 L N 3.440 124.467 121.223 -0.326 0.000 2.064 137 L HA -0.294 4.047 4.340 0.001 0.000 0.216 137 L C 2.185 178.778 176.870 -0.462 0.000 1.077 137 L CA 1.962 56.618 54.840 -0.307 0.000 0.766 137 L CB -0.874 41.061 42.059 -0.206 0.000 0.890 137 L HN 0.524 nan 8.230 nan 0.000 0.435 138 Y N 0.065 119.834 120.300 -0.885 0.000 2.365 138 Y HA -0.281 4.269 4.550 0.001 0.000 0.287 138 Y C 2.311 178.062 175.900 -0.249 0.000 1.162 138 Y CA 1.302 58.864 58.100 -0.897 0.000 1.260 138 Y CB -1.085 36.755 38.460 -1.033 0.000 0.976 138 Y HN 0.442 nan 8.280 nan 0.000 0.548 139 Q N -0.886 118.791 119.800 -0.204 0.000 2.350 139 Q HA 0.151 4.491 4.340 0.001 0.000 0.225 139 Q C 1.585 177.613 176.000 0.045 0.000 0.878 139 Q CA 0.148 55.996 55.803 0.075 0.000 0.935 139 Q CB -0.015 28.820 28.738 0.160 0.000 1.099 139 Q HN 0.389 nan 8.270 nan 0.000 0.527 140 I N 2.410 122.934 120.570 -0.076 0.000 2.353 140 I HA -0.062 4.108 4.170 0.001 0.000 0.248 140 I C 1.283 177.467 176.117 0.111 0.000 1.119 140 I CA 1.521 62.796 61.300 -0.041 0.000 1.417 140 I CB -0.638 37.312 38.000 -0.084 0.000 1.078 140 I HN 0.324 nan 8.210 nan 0.000 0.421 141 T N -2.344 112.317 114.554 0.179 0.000 3.583 141 T HA 0.373 4.724 4.350 0.001 0.000 0.266 141 T C -2.174 172.742 174.700 0.360 0.000 1.296 141 T CA -1.205 61.111 62.100 0.360 0.000 1.668 141 T CB 1.183 70.250 68.868 0.332 0.000 0.832 141 T HN -0.113 nan 8.240 nan 0.000 0.649 142 P HA -0.014 nan 4.420 nan 0.000 0.230 142 P C 1.369 178.811 177.300 0.236 0.000 1.158 142 P CA 0.621 63.896 63.100 0.293 0.000 0.769 142 P CB -0.091 31.774 31.700 0.275 0.000 0.807 143 H N -1.250 117.958 119.070 0.230 0.000 2.457 143 H HA 0.061 4.618 4.556 0.001 0.000 0.294 143 H C 1.492 176.918 175.328 0.164 0.000 1.064 143 H CA 1.037 57.173 56.048 0.148 0.000 1.330 143 H CB -0.027 29.776 29.762 0.069 0.000 1.395 143 H HN 0.115 nan 8.280 nan 0.000 0.541 144 M N -0.333 119.465 119.600 0.330 0.000 2.659 144 M HA -0.020 4.461 4.480 0.001 0.000 0.243 144 M C 0.245 176.631 176.300 0.143 0.000 1.111 144 M CA 0.832 56.237 55.300 0.175 0.000 1.070 144 M CB -0.315 32.379 32.600 0.157 0.000 1.525 144 M HN 0.149 nan 8.290 nan 0.000 0.517 145 F N -1.499 118.466 119.950 0.026 0.000 2.960 145 F HA 0.217 4.744 4.527 0.001 0.000 0.345 145 F C 0.475 176.284 175.800 0.014 0.000 1.147 145 F CA -0.456 57.533 58.000 -0.018 0.000 1.099 145 F CB 0.189 39.163 39.000 -0.044 0.000 1.219 145 F HN -0.217 nan 8.300 nan 0.000 0.525 146 T N -0.257 114.436 114.554 0.231 0.000 2.932 146 T HA 0.286 4.636 4.350 0.001 0.000 0.289 146 T C -0.038 174.718 174.700 0.093 0.000 1.039 146 T CA -0.618 61.607 62.100 0.210 0.000 1.024 146 T CB 1.981 70.998 68.868 0.248 0.000 1.090 146 T HN -0.140 nan 8.240 nan 0.000 0.496 147 N N 0.394 119.138 118.700 0.072 0.000 2.204 147 N HA 0.007 4.748 4.740 0.001 0.000 0.232 147 N C 1.440 176.943 175.510 -0.012 0.000 1.340 147 N CA 0.482 53.547 53.050 0.024 0.000 0.883 147 N CB 0.316 38.804 38.487 0.002 0.000 1.109 147 N HN 0.500 nan 8.380 nan 0.000 0.470 148 S N -1.131 114.558 115.700 -0.018 0.000 2.470 148 S HA 0.042 4.513 4.470 0.001 0.000 0.222 148 S C 1.410 175.959 174.600 -0.086 0.000 1.024 148 S CA 0.409 58.593 58.200 -0.028 0.000 0.931 148 S CB -0.261 62.940 63.200 0.002 0.000 0.791 148 S HN 0.573 nan 8.310 nan 0.000 0.513 149 E N 0.665 120.813 120.200 -0.087 0.000 2.014 149 E HA -0.072 4.278 4.350 0.001 0.000 0.190 149 E C 1.909 178.379 176.600 -0.216 0.000 0.980 149 E CA 1.352 57.673 56.400 -0.132 0.000 0.807 149 E CB -0.202 29.441 29.700 -0.095 0.000 0.770 149 E HN 0.345 nan 8.360 nan 0.000 0.451 150 V N 2.068 121.868 119.914 -0.190 0.000 2.439 150 V HA -0.279 3.842 4.120 0.001 0.000 0.253 150 V C 2.457 178.386 176.094 -0.276 0.000 1.074 150 V CA 1.135 63.290 62.300 -0.241 0.000 1.076 150 V CB -0.481 31.296 31.823 -0.075 0.000 0.664 150 V HN 0.401 nan 8.190 nan 0.000 0.461 151 I N 0.008 120.418 120.570 -0.266 0.000 2.315 151 I HA -0.154 4.016 4.170 0.001 0.000 0.248 151 I C 2.132 177.916 176.117 -0.554 0.000 1.117 151 I CA 1.544 62.597 61.300 -0.412 0.000 1.404 151 I CB -1.048 36.654 38.000 -0.498 0.000 1.071 151 I HN 0.341 nan 8.210 nan 0.000 0.419 152 D N 0.440 120.602 120.400 -0.397 0.000 2.162 152 D HA -0.092 4.549 4.640 0.001 0.000 0.203 152 D C 2.171 178.304 176.300 -0.278 0.000 0.967 152 D CA 0.744 54.554 54.000 -0.317 0.000 0.840 152 D CB 0.054 40.753 40.800 -0.168 0.000 0.972 152 D HN 0.215 nan 8.370 nan 0.000 0.482 153 K N 0.762 120.900 120.400 -0.436 0.000 2.097 153 K HA -0.042 4.278 4.320 0.001 0.000 0.206 153 K C 2.015 178.334 176.600 -0.470 0.000 1.049 153 K CA 0.974 56.850 56.287 -0.684 0.000 0.933 153 K CB -0.195 31.428 32.500 -1.460 0.000 0.717 153 K HN 0.055 nan 8.250 nan 0.000 0.442 154 A N 0.913 123.566 122.820 -0.280 0.000 1.930 154 A HA -0.149 4.171 4.320 0.001 0.000 0.217 154 A C 1.845 179.549 177.584 0.199 0.000 1.175 154 A CA 1.046 53.179 52.037 0.160 0.000 0.627 154 A CB -0.586 18.500 19.000 0.144 0.000 0.815 154 A HN 0.195 nan 8.150 nan 0.000 0.443 155 Y N 0.361 120.668 120.300 0.012 0.000 2.352 155 Y HA -0.065 4.485 4.550 0.001 0.000 0.292 155 Y C 2.925 178.844 175.900 0.030 0.000 1.136 155 Y CA 0.462 58.582 58.100 0.032 0.000 1.227 155 Y CB -1.011 37.465 38.460 0.027 0.000 0.991 155 Y HN 0.287 nan 8.280 nan 0.000 0.545 156 S N -0.236 115.553 115.700 0.148 0.000 2.335 156 S HA -0.106 4.365 4.470 0.001 0.000 0.217 156 S C 2.383 177.059 174.600 0.127 0.000 1.032 156 S CA 0.935 59.195 58.200 0.100 0.000 0.985 156 S CB -0.670 62.553 63.200 0.038 0.000 0.896 156 S HN 0.462 nan 8.310 nan 0.000 0.445 157 A N 2.242 125.173 122.820 0.185 0.000 1.873 157 A HA -0.330 3.991 4.320 0.001 0.000 0.219 157 A C 1.992 179.654 177.584 0.130 0.000 1.269 157 A CA 2.555 54.705 52.037 0.188 0.000 0.671 157 A CB -1.093 18.054 19.000 0.244 0.000 0.842 157 A HN 0.377 nan 8.150 nan 0.000 0.460 158 K N -0.241 120.243 120.400 0.140 0.000 2.077 158 K HA -0.212 4.109 4.320 0.001 0.000 0.213 158 K C 2.098 178.741 176.600 0.073 0.000 1.051 158 K CA 2.536 58.886 56.287 0.104 0.000 0.929 158 K CB -0.614 31.958 32.500 0.120 0.000 0.715 158 K HN 0.677 nan 8.250 nan 0.000 0.451 159 M N -0.377 119.267 119.600 0.073 0.000 2.065 159 M HA -0.129 4.352 4.480 0.001 0.000 0.259 159 M C 1.941 178.267 176.300 0.044 0.000 1.069 159 M CA 2.404 57.733 55.300 0.048 0.000 1.110 159 M CB -1.207 31.420 32.600 0.045 0.000 1.328 159 M HN 0.277 nan 8.290 nan 0.000 0.405 160 T N -2.532 112.054 114.554 0.053 0.000 3.169 160 T HA 0.097 4.448 4.350 0.001 0.000 0.250 160 T C 0.730 175.455 174.700 0.040 0.000 1.111 160 T CA -0.102 62.024 62.100 0.043 0.000 1.010 160 T CB -0.146 68.748 68.868 0.043 0.000 0.984 160 T HN 0.457 nan 8.240 nan 0.000 0.537 161 Q N -0.035 119.792 119.800 0.046 0.000 2.450 161 Q HA -0.229 4.112 4.340 0.001 0.000 0.255 161 Q C -0.009 176.011 176.000 0.033 0.000 1.003 161 Q CA 1.292 57.117 55.803 0.037 0.000 1.097 161 Q CB -1.620 27.133 28.738 0.025 0.000 1.544 161 Q HN 0.872 nan 8.270 nan 0.000 0.531 162 K N 0.561 120.986 120.400 0.042 0.000 2.164 162 K HA 0.584 4.904 4.320 0.001 0.000 0.258 162 K C -2.712 173.905 176.600 0.028 0.000 0.951 162 K CA -1.833 54.471 56.287 0.028 0.000 0.844 162 K CB 1.951 34.469 32.500 0.031 0.000 1.099 162 K HN -0.289 nan 8.250 nan 0.000 0.435 163 P HA 0.484 nan 4.420 nan 0.000 0.279 163 P C -0.903 176.340 177.300 -0.096 0.000 1.276 163 P CA -0.366 62.712 63.100 -0.038 0.000 0.801 163 P CB 1.198 32.868 31.700 -0.049 0.000 1.127 164 G N -1.329 107.355 108.800 -0.194 0.000 2.335 164 G HA2 0.294 4.254 3.960 0.001 0.000 0.592 164 G HA3 0.294 4.254 3.960 0.001 0.000 0.592 164 G C -0.804 173.647 174.900 -0.748 0.000 1.442 164 G CA -0.413 44.462 45.100 -0.377 0.000 0.976 164 G HN 0.700 nan 8.290 nan 0.000 0.652 165 T N -0.984 113.193 114.554 -0.628 0.000 2.889 165 T HA 0.749 5.100 4.350 0.001 0.000 0.291 165 T C -0.308 173.929 174.700 -0.771 0.000 0.995 165 T CA -0.400 61.301 62.100 -0.666 0.000 1.092 165 T CB 0.537 69.204 68.868 -0.334 0.000 0.954 165 T HN 0.843 nan 8.240 nan 0.000 0.506 166 F N 2.079 121.966 119.950 -0.105 0.000 2.480 166 F HA 0.508 5.036 4.527 0.001 0.000 0.329 166 F C 0.480 176.203 175.800 -0.128 0.000 1.091 166 F CA -1.528 56.410 58.000 -0.103 0.000 0.972 166 F CB 1.130 40.073 39.000 -0.095 0.000 1.150 166 F HN 0.445 nan 8.300 nan 0.000 0.467 167 N N 1.624 120.377 118.700 0.087 0.000 2.419 167 N HA 0.399 5.140 4.740 0.001 0.000 0.264 167 N C -0.709 174.781 175.510 -0.034 0.000 1.031 167 N CA -0.364 52.662 53.050 -0.039 0.000 0.951 167 N CB 1.610 40.052 38.487 -0.076 0.000 1.101 167 N HN 0.519 nan 8.380 nan 0.000 0.488 168 V N 0.500 120.372 119.914 -0.071 0.000 2.743 168 V HA 0.510 4.631 4.120 0.001 0.000 0.301 168 V C 1.120 177.125 176.094 -0.149 0.000 1.057 168 V CA -0.299 61.965 62.300 -0.061 0.000 1.006 168 V CB 1.536 33.361 31.823 0.004 0.000 1.024 168 V HN 0.691 nan 8.190 nan 0.000 0.473 169 S N 1.745 117.375 115.700 -0.118 0.000 2.502 169 S HA 0.420 4.890 4.470 0.001 0.000 0.228 169 S C 0.301 174.839 174.600 -0.102 0.000 1.061 169 S CA 0.213 58.340 58.200 -0.122 0.000 0.935 169 S CB -0.431 62.759 63.200 -0.017 0.000 0.809 169 S HN 1.261 nan 8.310 nan 0.000 0.510 176 N N -0.042 118.694 118.700 0.059 0.000 2.462 176 N HA -0.086 4.654 4.740 0.001 0.000 0.325 176 N C 0.055 175.596 175.510 0.053 0.000 1.565 176 N CA 0.156 53.236 53.050 0.050 0.000 3.079 176 N CB 0.276 38.790 38.487 0.045 0.000 1.676 176 N HN 0.344 nan 8.380 nan 0.000 1.137 177 R N 0.683 121.219 120.500 0.060 0.000 2.548 177 R HA 0.373 4.713 4.340 0.001 0.000 0.107 177 R C -0.514 175.818 176.300 0.054 0.000 1.296 177 R CA 0.075 56.210 56.100 0.058 0.000 1.097 177 R CB 0.130 30.469 30.300 0.066 0.000 0.937 177 R HN 0.135 nan 8.270 nan 0.000 0.400 178 E N 0.606 120.837 120.200 0.052 0.000 3.923 178 E HA 0.119 4.470 4.350 0.001 0.000 0.169 178 E C -0.818 175.807 176.600 0.040 0.000 1.035 178 E CA -0.174 56.247 56.400 0.035 0.000 1.513 178 E CB 0.593 30.314 29.700 0.035 0.000 1.154 178 E HN 0.175 nan 8.360 nan 0.000 0.396 179 Q N 1.316 121.143 119.800 0.045 0.000 2.656 179 Q HA 0.298 4.639 4.340 0.001 0.000 0.389 179 Q C 0.085 176.096 176.000 0.018 0.000 0.883 179 Q CA -0.015 55.808 55.803 0.033 0.000 1.056 179 Q CB 1.149 29.933 28.738 0.077 0.000 1.391 179 Q HN 0.446 nan 8.270 nan 0.000 0.399 180 R N -0.611 119.889 120.500 -0.001 0.000 2.551 180 R HA 0.175 4.515 4.340 0.001 0.000 0.316 180 R C 0.264 176.567 176.300 0.005 0.000 0.934 180 R CA 0.222 56.345 56.100 0.039 0.000 1.117 180 R CB 1.050 31.383 30.300 0.054 0.000 1.626 180 R HN 0.070 nan 8.270 nan 0.000 0.513 181 V N 0.443 120.279 119.914 -0.130 0.000 3.276 181 V HA 0.410 4.531 4.120 0.001 0.000 0.319 181 V C 1.133 176.965 176.094 -0.436 0.000 1.476 181 V CA 0.764 62.857 62.300 -0.345 0.000 1.097 181 V CB 0.899 32.521 31.823 -0.335 0.000 0.988 181 V HN 0.361 nan 8.190 nan 0.000 0.473 182 A N 0.717 123.337 122.820 -0.332 0.000 1.908 182 A HA -0.237 4.084 4.320 0.001 0.000 0.218 182 A C 1.858 179.120 177.584 -0.537 0.000 1.181 182 A CA 2.460 54.273 52.037 -0.372 0.000 0.627 182 A CB -0.790 17.913 19.000 -0.495 0.000 0.818 182 A HN 0.993 nan 8.150 nan 0.000 0.445 183 Y N -2.143 117.832 120.300 -0.541 0.000 2.193 183 Y HA -0.202 4.349 4.550 0.001 0.000 0.285 183 Y C 1.966 177.883 175.900 0.028 0.000 1.166 183 Y CA 1.256 59.163 58.100 -0.322 0.000 1.181 183 Y CB -1.014 37.521 38.460 0.125 0.000 0.976 183 Y HN 0.271 nan 8.280 nan 0.000 0.520 184 F N 1.718 121.306 119.950 -0.604 0.000 2.037 184 F HA 0.145 4.673 4.527 0.001 0.000 0.291 184 F C 2.552 178.269 175.800 -0.138 0.000 1.137 184 F CA 1.825 59.638 58.000 -0.311 0.000 1.178 184 F CB -0.928 37.783 39.000 -0.482 0.000 0.995 184 F HN 0.074 nan 8.300 nan 0.000 0.472 185 G N -0.523 108.377 108.800 0.167 0.000 2.450 185 G HA2 -0.239 3.722 3.960 0.001 0.000 0.220 185 G HA3 -0.239 3.722 3.960 0.001 0.000 0.220 185 G C 1.292 176.188 174.900 -0.006 0.000 1.130 185 G CA 0.920 46.106 45.100 0.143 0.000 0.760 185 G HN 0.525 nan 8.290 nan 0.000 0.557 186 E N 0.243 120.441 120.200 -0.003 0.000 2.463 186 E HA 0.060 4.410 4.350 0.001 0.000 0.193 186 E C -0.050 176.587 176.600 0.062 0.000 1.041 186 E CA -0.451 55.974 56.400 0.043 0.000 0.879 186 E CB 0.354 30.124 29.700 0.117 0.000 0.997 186 E HN 0.287 nan 8.360 nan 0.000 0.478 187 D N 1.231 121.632 120.400 0.001 0.000 2.390 187 D HA -0.035 4.605 4.640 0.001 0.000 0.249 187 D C 1.315 177.591 176.300 -0.040 0.000 1.144 187 D CA -0.147 53.850 54.000 -0.006 0.000 0.880 187 D CB 1.039 41.799 40.800 -0.066 0.000 1.182 187 D HN 0.134 nan 8.370 nan 0.000 0.451 188 I N 1.594 122.114 120.570 -0.083 0.000 2.700 188 I HA 0.045 4.216 4.170 0.001 0.000 0.261 188 I C 1.820 177.910 176.117 -0.045 0.000 1.219 188 I CA 0.970 62.222 61.300 -0.080 0.000 1.463 188 I CB -0.182 37.479 38.000 -0.566 0.000 1.092 188 I HN 0.351 nan 8.210 nan 0.000 0.452 189 G N 1.067 109.789 108.800 -0.131 0.000 2.394 189 G HA2 -0.055 3.905 3.960 0.001 0.000 0.215 189 G HA3 -0.055 3.905 3.960 0.001 0.000 0.215 189 G C 1.618 176.538 174.900 0.033 0.000 1.165 189 G CA 0.711 45.774 45.100 -0.062 0.000 0.784 189 G HN 0.315 nan 8.290 nan 0.000 0.535 190 M N 0.357 119.938 119.600 -0.031 0.000 2.216 190 M HA 0.020 4.501 4.480 0.001 0.000 0.264 190 M C 2.379 178.751 176.300 0.120 0.000 1.080 190 M CA 0.825 56.127 55.300 0.003 0.000 1.153 190 M CB -0.643 31.848 32.600 -0.182 0.000 1.356 190 M HN 0.277 nan 8.290 nan 0.000 0.432 191 N N 0.797 119.545 118.700 0.080 0.000 2.132 191 N HA -0.191 4.550 4.740 0.001 0.000 0.191 191 N C 1.655 177.337 175.510 0.287 0.000 1.015 191 N CA 0.985 54.099 53.050 0.108 0.000 0.864 191 N CB -0.058 38.382 38.487 -0.078 0.000 1.006 191 N HN 0.193 nan 8.380 nan 0.000 0.430 192 I N 1.263 122.073 120.570 0.400 0.000 2.045 192 I HA -0.309 3.862 4.170 0.001 0.000 0.233 192 I C 2.463 178.776 176.117 0.327 0.000 1.048 192 I CA 1.789 63.331 61.300 0.402 0.000 1.313 192 I CB -1.597 36.611 38.000 0.347 0.000 1.043 192 I HN 0.305 nan 8.210 nan 0.000 0.393 193 H N 0.372 119.556 119.070 0.190 0.000 2.325 193 H HA -0.301 4.256 4.556 0.001 0.000 0.293 193 H C 2.459 177.947 175.328 0.266 0.000 1.106 193 H CA 2.608 58.769 56.048 0.189 0.000 1.247 193 H CB -0.775 29.062 29.762 0.125 0.000 1.359 193 H HN 0.496 nan 8.280 nan 0.000 0.488 194 H N -0.616 118.445 119.070 -0.016 0.000 2.289 194 H HA -0.196 4.361 4.556 0.001 0.000 0.294 194 H C 2.496 177.869 175.328 0.076 0.000 1.095 194 H CA 2.341 58.330 56.048 -0.097 0.000 1.256 194 H CB -0.134 29.607 29.762 -0.034 0.000 1.359 194 H HN 0.407 nan 8.280 nan 0.000 0.487 195 V N -0.531 119.447 119.914 0.106 0.000 2.283 195 V HA -0.167 3.954 4.120 0.001 0.000 0.243 195 V C 2.157 178.367 176.094 0.192 0.000 1.039 195 V CA 2.300 64.703 62.300 0.171 0.000 1.016 195 V CB -0.908 31.064 31.823 0.248 0.000 0.650 195 V HN 0.473 nan 8.190 nan 0.000 0.449 196 T N -0.712 113.944 114.554 0.170 0.000 2.720 196 T HA -0.264 4.087 4.350 0.001 0.000 0.268 196 T C 1.299 176.033 174.700 0.057 0.000 1.037 196 T CA 2.278 64.451 62.100 0.121 0.000 1.144 196 T CB -0.658 68.298 68.868 0.148 0.000 0.864 196 T HN 0.833 nan 8.240 nan 0.000 0.444 197 W N 1.765 123.019 121.300 -0.076 0.000 2.342 197 W HA -0.145 4.516 4.660 0.001 0.000 0.297 197 W C 1.719 178.194 176.519 -0.074 0.000 1.213 197 W CA 1.119 58.385 57.345 -0.131 0.000 1.251 197 W CB -0.190 29.040 29.460 -0.384 0.000 1.136 197 W HN 0.386 nan 8.180 nan 0.000 0.526 198 H N -0.763 118.388 119.070 0.135 0.000 2.567 198 H HA 0.168 4.725 4.556 0.001 0.000 0.294 198 H C 1.360 176.678 175.328 -0.017 0.000 1.050 198 H CA 0.704 56.792 56.048 0.067 0.000 1.168 198 H CB -0.068 29.745 29.762 0.086 0.000 1.422 198 H HN 0.342 nan 8.280 nan 0.000 0.562 199 M N -0.692 118.898 119.600 -0.015 0.000 2.669 199 M HA 0.003 4.484 4.480 0.001 0.000 0.248 199 M C 1.063 177.238 176.300 -0.209 0.000 1.382 199 M CA 0.337 55.604 55.300 -0.056 0.000 1.158 199 M CB 0.755 33.337 32.600 -0.030 0.000 1.371 199 M HN -0.022 nan 8.290 nan 0.000 0.540 200 D N 0.538 120.709 120.400 -0.383 0.000 2.097 200 D HA -0.036 4.605 4.640 0.001 0.000 0.197 200 D C -0.261 175.419 176.300 -1.032 0.000 0.984 200 D CA 1.459 55.022 54.000 -0.728 0.000 0.826 200 D CB 0.158 40.453 40.800 -0.842 0.000 0.973 200 D HN 0.205 nan 8.370 nan 0.000 0.460 201 F N 0.540 120.031 119.950 -0.765 0.000 2.564 201 F HA 0.354 4.882 4.527 0.001 0.000 0.368 201 F C -2.337 173.064 175.800 -0.665 0.000 1.127 201 F CA -2.591 54.932 58.000 -0.795 0.000 1.170 201 F CB 1.422 39.917 39.000 -0.842 0.000 1.397 201 F HN -0.281 nan 8.300 nan 0.000 0.493 202 P HA 0.047 nan 4.420 nan 0.000 0.271 202 P C 0.856 177.819 177.300 -0.561 0.000 1.216 202 P CA -0.360 62.278 63.100 -0.769 0.000 0.776 202 P CB 0.524 31.131 31.700 -1.821 0.000 0.881 203 F N 2.232 122.097 119.950 -0.142 0.000 2.216 203 F HA -0.044 4.483 4.527 0.001 0.000 0.300 203 F C 1.376 177.169 175.800 -0.011 0.000 1.085 203 F CA 0.228 58.232 58.000 0.007 0.000 1.326 203 F CB -1.596 37.526 39.000 0.203 0.000 1.027 203 F HN 0.375 nan 8.300 nan 0.000 0.497 204 W N -0.629 120.672 121.300 0.002 0.000 3.377 204 W HA 0.136 4.797 4.660 0.001 0.000 0.277 204 W C 0.540 177.233 176.519 0.290 0.000 1.311 204 W CA -1.319 56.149 57.345 0.205 0.000 1.703 204 W CB -1.375 28.113 29.460 0.047 0.000 1.095 204 W HN 0.124 nan 8.180 nan 0.000 0.715 205 W N 4.390 125.638 121.300 -0.087 0.000 2.238 205 W HA 0.225 4.886 4.660 0.001 0.000 0.321 205 W C -0.577 176.073 176.519 0.218 0.000 1.293 205 W CA 0.193 57.582 57.345 0.074 0.000 1.204 205 W CB 0.847 30.113 29.460 -0.324 0.000 1.167 205 W HN -0.000 nan 8.180 nan 0.000 0.553 206 E N 3.220 123.421 120.200 0.002 0.000 2.227 206 E HA 0.076 4.427 4.350 0.001 0.000 0.268 206 E C -0.370 175.883 176.600 -0.578 0.000 0.907 206 E CA -0.653 55.636 56.400 -0.185 0.000 0.786 206 E CB 1.524 31.041 29.700 -0.305 0.000 1.191 206 E HN 0.332 nan 8.360 nan 0.000 0.411 207 D N 0.481 120.750 120.400 -0.218 0.000 2.378 207 D HA -0.064 4.577 4.640 0.001 0.000 0.227 207 D C 1.039 177.169 176.300 -0.283 0.000 1.012 207 D CA 0.573 54.472 54.000 -0.168 0.000 0.905 207 D CB 0.174 41.035 40.800 0.102 0.000 0.895 207 D HN 0.203 nan 8.370 nan 0.000 0.532 208 S N 0.009 115.456 115.700 -0.422 0.000 2.383 208 S HA -0.170 4.301 4.470 0.001 0.000 0.227 208 S C 1.241 175.637 174.600 -0.340 0.000 1.026 208 S CA 0.528 58.515 58.200 -0.355 0.000 0.981 208 S CB -0.439 62.522 63.200 -0.398 0.000 0.818 208 S HN 0.351 nan 8.310 nan 0.000 0.472 209 Y N 2.004 122.028 120.300 -0.460 0.000 2.639 209 Y HA 0.062 4.613 4.550 0.001 0.000 0.289 209 Y C 2.129 177.847 175.900 -0.303 0.000 1.155 209 Y CA 0.315 58.108 58.100 -0.511 0.000 1.379 209 Y CB -0.970 36.992 38.460 -0.830 0.000 0.967 209 Y HN 0.448 nan 8.280 nan 0.000 0.569 210 G N -2.393 106.377 108.800 -0.051 0.000 2.545 210 G HA2 -0.160 3.801 3.960 0.001 0.000 0.195 210 G HA3 -0.160 3.801 3.960 0.001 0.000 0.195 210 G C -0.244 174.969 174.900 0.523 0.000 1.009 210 G CA -0.195 45.073 45.100 0.281 0.000 0.703 210 G HN 0.366 nan 8.290 nan 0.000 0.479 211 Y N -1.219 119.342 120.300 0.433 0.000 2.853 211 Y HA 0.821 5.372 4.550 0.001 0.000 0.326 211 Y C -0.671 175.642 175.900 0.690 0.000 1.384 211 Y CA -1.818 56.563 58.100 0.470 0.000 1.077 211 Y CB 0.412 39.121 38.460 0.416 0.000 1.395 211 Y HN 0.357 nan 8.280 nan 0.000 0.451 212 H N 0.734 120.140 119.070 0.560 0.000 2.539 212 H HA 0.656 5.212 4.556 0.001 0.000 0.332 212 H C -1.670 173.922 175.328 0.439 0.000 1.031 212 H CA -0.818 55.547 56.048 0.528 0.000 1.206 212 H CB 0.991 30.960 29.762 0.344 0.000 1.446 212 H HN 0.605 nan 8.280 nan 0.000 0.496 213 L N 5.403 126.663 121.223 0.061 0.000 2.418 213 L HA 0.039 4.379 4.340 0.001 0.000 0.274 213 L C 1.507 178.439 176.870 0.103 0.000 1.135 213 L CA 0.398 55.284 54.840 0.077 0.000 0.870 213 L CB 0.275 42.242 42.059 -0.153 0.000 1.154 213 L HN 0.872 nan 8.230 nan 0.000 0.462 214 D N 2.651 123.233 120.400 0.304 0.000 2.269 214 D HA -0.225 4.416 4.640 0.001 0.000 0.191 214 D C 1.069 177.522 176.300 0.254 0.000 1.007 214 D CA 1.930 56.136 54.000 0.344 0.000 0.855 214 D CB 0.297 41.267 40.800 0.283 0.000 0.979 214 D HN 0.499 nan 8.370 nan 0.000 0.452 215 R N -0.746 119.807 120.500 0.088 0.000 2.688 215 R HA 0.196 4.536 4.340 0.001 0.000 0.396 215 R C -0.567 175.708 176.300 -0.042 0.000 1.081 215 R CA -0.302 55.828 56.100 0.051 0.000 1.093 215 R CB 0.908 31.205 30.300 -0.005 0.000 1.338 215 R HN 0.008 nan 8.270 nan 0.000 0.613 216 K N 0.782 121.133 120.400 -0.080 0.000 2.402 216 K HA 0.087 4.408 4.320 0.001 0.000 0.279 216 K C 0.766 177.372 176.600 0.011 0.000 1.082 216 K CA 0.881 57.079 56.287 -0.148 0.000 1.080 216 K CB 0.691 33.089 32.500 -0.171 0.000 0.899 216 K HN 0.544 nan 8.250 nan 0.000 0.469 217 G N 3.227 112.090 108.800 0.105 0.000 2.893 217 G HA2 -0.214 3.747 3.960 0.001 0.000 0.160 217 G HA3 -0.214 3.747 3.960 0.001 0.000 0.160 217 G C 0.792 175.793 174.900 0.169 0.000 2.432 217 G CA -0.458 44.728 45.100 0.144 0.000 1.388 217 G HN 0.542 nan 8.290 nan 0.000 0.415 218 E N 0.539 120.805 120.200 0.111 0.000 2.110 218 E HA -0.027 4.323 4.350 0.001 0.000 0.193 218 E C 2.556 179.210 176.600 0.089 0.000 0.988 218 E CA 1.111 57.596 56.400 0.142 0.000 0.804 218 E CB -0.063 29.681 29.700 0.074 0.000 0.745 218 E HN 0.258 nan 8.360 nan 0.000 0.458 219 L N 0.268 121.483 121.223 -0.013 0.000 2.013 219 L HA -0.196 4.144 4.340 0.001 0.000 0.212 219 L C 2.193 179.021 176.870 -0.071 0.000 1.073 219 L CA 1.603 56.424 54.840 -0.032 0.000 0.753 219 L CB -1.087 40.862 42.059 -0.183 0.000 0.890 219 L HN 0.151 nan 8.230 nan 0.000 0.432 220 F N -0.374 119.507 119.950 -0.115 0.000 2.113 220 F HA -0.260 4.268 4.527 0.001 0.000 0.297 220 F C 2.490 178.235 175.800 -0.092 0.000 1.103 220 F CA 0.989 58.908 58.000 -0.134 0.000 1.248 220 F CB -0.574 38.476 39.000 0.085 0.000 0.999 220 F HN 0.138 nan 8.300 nan 0.000 0.475 221 F N 1.087 120.987 119.950 -0.084 0.000 2.021 221 F HA -0.335 4.193 4.527 0.001 0.000 0.297 221 F C 2.403 178.035 175.800 -0.281 0.000 1.152 221 F CA 2.292 59.916 58.000 -0.626 0.000 1.201 221 F CB -1.724 36.860 39.000 -0.692 0.000 0.951 221 F HN 0.333 nan 8.300 nan 0.000 0.504 222 W N 1.212 121.850 121.300 -1.104 0.000 2.304 222 W HA -0.286 4.374 4.660 0.001 0.000 0.315 222 W C 2.270 178.369 176.519 -0.700 0.000 1.233 222 W CA 2.675 59.421 57.345 -0.997 0.000 1.261 222 W CB -0.663 28.444 29.460 -0.589 0.000 1.150 222 W HN 0.020 nan 8.180 nan 0.000 0.494 223 V N 0.522 120.002 119.914 -0.724 0.000 2.287 223 V HA -0.337 3.784 4.120 0.001 0.000 0.248 223 V C 1.950 177.446 176.094 -0.998 0.000 1.053 223 V CA 2.572 64.266 62.300 -1.009 0.000 1.027 223 V CB -1.156 29.684 31.823 -1.639 0.000 0.646 223 V HN 0.205 nan 8.190 nan 0.000 0.447 224 H N -1.710 116.921 119.070 -0.731 0.000 2.470 224 H HA -0.051 4.506 4.556 0.001 0.000 0.289 224 H C 2.193 177.270 175.328 -0.417 0.000 1.033 224 H CA 1.259 56.995 56.048 -0.520 0.000 1.331 224 H CB -0.354 29.136 29.762 -0.454 0.000 1.414 224 H HN 0.541 nan 8.280 nan 0.000 0.545 225 H N 1.049 119.798 119.070 -0.535 0.000 2.421 225 H HA -0.109 4.448 4.556 0.001 0.000 0.298 225 H C 1.459 176.441 175.328 -0.578 0.000 1.087 225 H CA 1.295 57.019 56.048 -0.540 0.000 1.330 225 H CB 0.399 29.688 29.762 -0.788 0.000 1.388 225 H HN 0.453 nan 8.280 nan 0.000 0.526 226 Q N -0.205 118.996 119.800 -0.998 0.000 2.163 226 Q HA -0.063 4.278 4.340 0.001 0.000 0.198 226 Q C 2.544 178.285 176.000 -0.432 0.000 0.954 226 Q CA 0.398 55.708 55.803 -0.820 0.000 0.851 226 Q CB 0.284 28.424 28.738 -0.998 0.000 0.928 226 Q HN 0.308 nan 8.270 nan 0.000 0.459 227 L N 0.354 121.390 121.223 -0.312 0.000 2.012 227 L HA -0.199 4.141 4.340 0.001 0.000 0.210 227 L C 2.350 179.251 176.870 0.051 0.000 1.073 227 L CA 1.907 56.738 54.840 -0.015 0.000 0.748 227 L CB -0.949 41.172 42.059 0.103 0.000 0.891 227 L HN 0.190 nan 8.230 nan 0.000 0.431 228 T N -0.781 113.774 114.554 0.002 0.000 2.803 228 T HA -0.202 4.149 4.350 0.001 0.000 0.269 228 T C 1.878 176.537 174.700 -0.069 0.000 1.052 228 T CA 1.207 63.356 62.100 0.081 0.000 1.136 228 T CB -0.372 68.573 68.868 0.129 0.000 0.864 228 T HN 0.451 nan 8.240 nan 0.000 0.467 229 A N 1.913 124.576 122.820 -0.262 0.000 1.840 229 A HA -0.021 4.299 4.320 0.001 0.000 0.214 229 A C 2.348 179.850 177.584 -0.136 0.000 1.198 229 A CA 1.032 52.936 52.037 -0.222 0.000 0.608 229 A CB -0.516 18.316 19.000 -0.280 0.000 0.839 229 A HN 0.371 nan 8.150 nan 0.000 0.443 230 R N -1.684 118.730 120.500 -0.144 0.000 2.133 230 R HA -0.246 4.095 4.340 0.001 0.000 0.245 230 R C 1.991 178.096 176.300 -0.325 0.000 1.137 230 R CA 1.997 58.036 56.100 -0.101 0.000 0.947 230 R CB -0.779 29.547 30.300 0.044 0.000 0.865 230 R HN 0.562 nan 8.270 nan 0.000 0.437 231 F N 2.211 121.751 119.950 -0.683 0.000 2.051 231 F HA -0.226 4.302 4.527 0.001 0.000 0.296 231 F C 2.001 177.437 175.800 -0.606 0.000 1.122 231 F CA 1.754 59.120 58.000 -1.057 0.000 1.201 231 F CB -0.483 37.714 39.000 -1.338 0.000 0.978 231 F HN -0.053 nan 8.300 nan 0.000 0.472 232 D N 0.033 120.215 120.400 -0.364 0.000 2.170 232 D HA -0.265 4.376 4.640 0.001 0.000 0.193 232 D C 2.318 178.311 176.300 -0.512 0.000 1.004 232 D CA 1.706 55.466 54.000 -0.399 0.000 0.860 232 D CB -0.708 39.991 40.800 -0.168 0.000 0.931 232 D HN 0.285 nan 8.370 nan 0.000 0.448 233 F N 1.368 121.061 119.950 -0.429 0.000 2.091 233 F HA -0.180 4.347 4.527 0.001 0.000 0.299 233 F C 2.457 178.007 175.800 -0.416 0.000 1.103 233 F CA 1.176 58.935 58.000 -0.401 0.000 1.228 233 F CB -0.122 38.661 39.000 -0.361 0.000 0.984 233 F HN -0.098 nan 8.300 nan 0.000 0.477 234 E N 0.249 120.270 120.200 -0.298 0.000 2.106 234 E HA -0.189 4.161 4.350 0.001 0.000 0.192 234 E C 2.193 178.564 176.600 -0.382 0.000 0.984 234 E CA 1.276 57.496 56.400 -0.300 0.000 0.806 234 E CB -0.507 28.959 29.700 -0.389 0.000 0.750 234 E HN 0.545 nan 8.360 nan 0.000 0.458 235 R N 0.480 120.612 120.500 -0.613 0.000 2.092 235 R HA -0.056 4.285 4.340 0.001 0.000 0.231 235 R C 2.352 178.423 176.300 -0.381 0.000 1.119 235 R CA 0.845 56.621 56.100 -0.540 0.000 0.970 235 R CB -0.737 29.160 30.300 -0.672 0.000 0.864 235 R HN 0.041 nan 8.270 nan 0.000 0.440 236 L N 1.760 122.767 121.223 -0.361 0.000 1.989 236 L HA -0.128 4.212 4.340 0.001 0.000 0.211 236 L C 1.733 178.381 176.870 -0.370 0.000 1.071 236 L CA 1.966 56.621 54.840 -0.307 0.000 0.749 236 L CB -0.548 41.349 42.059 -0.270 0.000 0.890 236 L HN 0.183 nan 8.230 nan 0.000 0.431 237 S N -0.175 115.331 115.700 -0.323 0.000 2.595 237 S HA -0.012 4.459 4.470 0.001 0.000 0.235 237 S C 1.137 175.286 174.600 -0.751 0.000 0.974 237 S CA 0.503 58.412 58.200 -0.484 0.000 0.942 237 S CB -0.572 62.490 63.200 -0.231 0.000 0.766 237 S HN 0.507 nan 8.310 nan 0.000 0.536 238 N N -0.262 118.069 118.700 -0.615 0.000 2.282 238 N HA 0.121 4.861 4.740 0.001 0.000 0.240 238 N C -0.748 174.490 175.510 -0.453 0.000 1.182 238 N CA -0.139 52.583 53.050 -0.546 0.000 0.874 238 N CB 0.188 38.558 38.487 -0.194 0.000 1.126 238 N HN 0.538 nan 8.380 nan 0.000 0.516 239 W N -0.075 121.209 121.300 -0.027 0.000 3.207 239 W HA -0.239 4.421 4.660 0.001 0.000 0.291 239 W C -0.225 176.267 176.519 -0.045 0.000 1.105 239 W CA -0.232 57.096 57.345 -0.029 0.000 0.612 239 W CB -2.091 27.363 29.460 -0.010 0.000 2.140 239 W HN 0.044 nan 8.180 nan 0.000 1.420 240 L N 1.107 122.326 121.223 -0.006 0.000 2.399 240 L HA 0.379 4.720 4.340 0.001 0.000 0.265 240 L C 0.896 177.717 176.870 -0.081 0.000 1.089 240 L CA -0.589 54.224 54.840 -0.045 0.000 0.802 240 L CB 0.605 42.588 42.059 -0.127 0.000 1.180 240 L HN -0.197 nan 8.230 nan 0.000 0.454 241 D N 1.613 121.978 120.400 -0.059 0.000 2.175 241 D HA 0.292 4.933 4.640 0.001 0.000 0.248 241 D C -2.203 174.046 176.300 -0.084 0.000 1.047 241 D CA -1.092 52.873 54.000 -0.057 0.000 0.883 241 D CB 1.605 42.399 40.800 -0.010 0.000 1.180 241 D HN 0.192 nan 8.370 nan 0.000 0.438 242 P HA -0.132 nan 4.420 nan 0.000 0.265 242 P C -0.275 177.028 177.300 0.005 0.000 1.167 242 P CA 0.145 63.224 63.100 -0.036 0.000 0.760 242 P CB 0.462 32.218 31.700 0.094 0.000 0.783 243 V N 0.233 120.169 119.914 0.036 0.000 2.715 243 V HA 0.176 4.296 4.120 0.001 0.000 0.299 243 V C 0.135 176.266 176.094 0.063 0.000 1.054 243 V CA -0.851 61.494 62.300 0.076 0.000 1.077 243 V CB 0.360 32.291 31.823 0.181 0.000 0.972 243 V HN 0.429 nan 8.190 nan 0.000 0.484 244 D N 2.763 123.182 120.400 0.031 0.000 2.443 244 D HA 0.072 4.713 4.640 0.001 0.000 0.239 244 D C 0.134 176.408 176.300 -0.044 0.000 1.136 244 D CA -0.017 53.977 54.000 -0.009 0.000 0.879 244 D CB 0.651 41.438 40.800 -0.022 0.000 1.195 244 D HN 0.958 nan 8.370 nan 0.000 0.443 245 E N 1.314 121.460 120.200 -0.090 0.000 2.290 245 E HA 0.197 4.548 4.350 0.001 0.000 0.277 245 E C -0.534 175.837 176.600 -0.382 0.000 1.035 245 E CA -0.905 55.410 56.400 -0.142 0.000 0.873 245 E CB 0.649 30.281 29.700 -0.114 0.000 1.029 245 E HN 0.385 nan 8.360 nan 0.000 0.419 246 L N 5.304 126.299 121.223 -0.380 0.000 2.453 246 L HA 0.179 4.519 4.340 0.001 0.000 0.272 246 L C -1.176 175.234 176.870 -0.766 0.000 1.182 246 L CA 0.513 55.029 54.840 -0.541 0.000 0.858 246 L CB 0.347 42.038 42.059 -0.613 0.000 1.120 246 L HN 0.658 nan 8.230 nan 0.000 0.474 247 H N 2.484 121.339 119.070 -0.358 0.000 2.679 247 H HA 0.270 4.826 4.556 0.001 0.000 0.367 247 H C -0.528 174.467 175.328 -0.554 0.000 1.162 247 H CA -0.333 55.490 56.048 -0.376 0.000 1.181 247 H CB 0.792 30.495 29.762 -0.098 0.000 1.693 247 H HN 0.724 nan 8.280 nan 0.000 0.538 248 W N 0.365 121.616 121.300 -0.081 0.000 2.518 248 W HA -0.042 4.619 4.660 0.001 0.000 0.273 248 W C 1.017 177.501 176.519 -0.058 0.000 1.247 248 W CA 0.940 58.114 57.345 -0.285 0.000 1.288 248 W CB -0.088 29.168 29.460 -0.339 0.000 1.107 248 W HN 0.754 nan 8.180 nan 0.000 0.586 249 D N -0.730 119.780 120.400 0.184 0.000 2.349 249 D HA -0.017 4.624 4.640 0.001 0.000 0.224 249 D C 1.025 177.437 176.300 0.186 0.000 1.029 249 D CA 0.309 54.406 54.000 0.163 0.000 0.879 249 D CB -0.001 40.859 40.800 0.100 0.000 0.906 249 D HN -0.118 nan 8.370 nan 0.000 0.528 250 R N 0.677 121.297 120.500 0.200 0.000 2.824 250 R HA 0.559 4.899 4.340 0.001 0.000 0.238 250 R C 0.598 177.000 176.300 0.171 0.000 1.236 250 R CA -1.030 55.188 56.100 0.197 0.000 1.100 250 R CB 0.420 30.835 30.300 0.193 0.000 1.341 250 R HN 0.108 nan 8.270 nan 0.000 0.519 251 I N -0.952 119.628 120.570 0.017 0.000 2.945 251 I HA 0.315 4.486 4.170 0.001 0.000 0.292 251 I C 0.356 176.404 176.117 -0.115 0.000 1.093 251 I CA -0.526 60.627 61.300 -0.245 0.000 1.336 251 I CB 0.237 38.046 38.000 -0.318 0.000 1.435 251 I HN 0.279 nan 8.210 nan 0.000 0.593 252 I N 3.605 124.067 120.570 -0.180 0.000 2.287 252 I HA 0.239 4.410 4.170 0.001 0.000 0.290 252 I C 1.342 177.376 176.117 -0.139 0.000 1.069 252 I CA -0.417 60.782 61.300 -0.170 0.000 1.237 252 I CB 0.587 38.408 38.000 -0.298 0.000 1.418 252 I HN 0.618 nan 8.210 nan 0.000 0.481 253 R N 3.226 123.668 120.500 -0.097 0.000 2.103 253 R HA -0.136 4.204 4.340 0.001 0.000 0.234 253 R C 0.516 176.784 176.300 -0.053 0.000 1.132 253 R CA 1.578 57.639 56.100 -0.066 0.000 0.925 253 R CB -0.032 30.244 30.300 -0.039 0.000 0.842 253 R HN 0.501 nan 8.270 nan 0.000 0.430 254 E N 0.411 120.581 120.200 -0.050 0.000 1.986 254 E HA 0.292 4.642 4.350 0.001 0.000 0.264 254 E C -0.640 175.941 176.600 -0.032 0.000 1.023 254 E CA -0.211 56.173 56.400 -0.027 0.000 0.834 254 E CB 0.768 30.459 29.700 -0.013 0.000 1.111 254 E HN 0.358 nan 8.360 nan 0.000 0.417 255 G N 2.352 111.150 108.800 -0.004 0.000 2.511 255 G HA2 0.580 4.541 3.960 0.001 0.000 0.316 255 G HA3 0.580 4.541 3.960 0.001 0.000 0.316 255 G C -0.931 174.074 174.900 0.175 0.000 1.210 255 G CA -0.486 44.631 45.100 0.028 0.000 0.969 255 G HN 0.366 nan 8.290 nan 0.000 0.492 256 F N -1.383 118.554 119.950 -0.022 0.000 2.726 256 F HA 0.882 5.409 4.527 0.001 0.000 0.324 256 F C -0.707 175.093 175.800 -0.000 0.000 1.140 256 F CA -2.915 55.082 58.000 -0.005 0.000 0.964 256 F CB 1.450 40.452 39.000 0.002 0.000 1.399 256 F HN 0.828 nan 8.300 nan 0.000 0.491 257 A N 2.171 124.800 122.820 -0.318 0.000 2.330 257 A HA 0.732 5.052 4.320 0.001 0.000 0.313 257 A C -2.482 174.540 177.584 -0.935 0.000 1.124 257 A CA -1.428 50.356 52.037 -0.422 0.000 0.774 257 A CB 1.298 20.193 19.000 -0.175 0.000 1.198 257 A HN 0.655 nan 8.150 nan 0.000 0.465 258 P HA 0.081 nan 4.420 nan 0.000 0.234 258 P C 0.311 177.422 177.300 -0.315 0.000 1.175 258 P CA 0.145 62.775 63.100 -0.783 0.000 0.801 258 P CB 0.130 31.560 31.700 -0.450 0.000 0.891 259 L N 0.094 121.202 121.223 -0.192 0.000 3.839 259 L HA -0.144 4.197 4.340 0.001 0.000 0.416 259 L C -0.277 176.588 176.870 -0.008 0.000 1.195 259 L CA 1.041 55.839 54.840 -0.070 0.000 0.946 259 L CB -3.051 38.952 42.059 -0.094 0.000 1.891 259 L HN 0.068 nan 8.230 nan 0.000 0.963 260 T N -0.800 113.783 114.554 0.048 0.000 2.925 260 T HA 0.790 5.140 4.350 0.001 0.000 0.285 260 T C 0.319 175.287 174.700 0.447 0.000 1.021 260 T CA -0.111 62.080 62.100 0.152 0.000 1.042 260 T CB 1.953 70.769 68.868 -0.086 0.000 1.037 260 T HN 0.237 nan 8.240 nan 0.000 0.481 261 S N 0.476 116.413 115.700 0.395 0.000 2.570 261 S HA 0.591 5.061 4.470 0.001 0.000 0.286 261 S C -1.267 173.486 174.600 0.255 0.000 1.099 261 S CA -0.867 57.512 58.200 0.300 0.000 0.913 261 S CB 0.871 64.188 63.200 0.195 0.000 1.085 261 S HN 0.557 nan 8.310 nan 0.000 0.480 262 Y N 1.760 121.993 120.300 -0.111 0.000 2.330 262 Y HA 0.264 4.814 4.550 0.001 0.000 0.341 262 Y C 1.769 177.551 175.900 -0.196 0.000 1.278 262 Y CA 0.077 58.096 58.100 -0.135 0.000 1.453 262 Y CB 0.602 38.912 38.460 -0.250 0.000 1.342 262 Y HN 0.570 nan 8.280 nan 0.000 0.590 263 K N 0.845 121.125 120.400 -0.201 0.000 2.044 263 K HA -0.029 4.292 4.320 0.001 0.000 0.204 263 K C -0.832 175.435 176.600 -0.555 0.000 1.045 263 K CA 1.260 57.048 56.287 -0.832 0.000 0.951 263 K CB -0.098 31.660 32.500 -1.236 0.000 0.738 263 K HN 0.589 nan 8.250 nan 0.000 0.443 264 Y N -0.850 119.463 120.300 0.022 0.000 2.328 264 Y HA 0.431 4.982 4.550 0.001 0.000 0.337 264 Y C 0.991 176.941 175.900 0.084 0.000 0.966 264 Y CA -0.014 58.104 58.100 0.031 0.000 1.136 264 Y CB 2.005 40.495 38.460 0.050 0.000 1.170 264 Y HN 0.384 nan 8.280 nan 0.000 0.470 265 G N 0.668 109.559 108.800 0.152 0.000 4.077 265 G HA2 0.357 4.318 3.960 0.001 0.000 0.199 265 G HA3 0.357 4.318 3.960 0.001 0.000 0.199 265 G C 0.225 175.061 174.900 -0.106 0.000 1.302 265 G CA 0.196 45.294 45.100 -0.003 0.000 0.918 265 G HN 1.505 nan 8.290 nan 0.000 0.369 266 G N -0.431 108.337 108.800 -0.053 0.000 2.315 266 G HA2 0.326 4.287 3.960 0.001 0.000 0.296 266 G HA3 0.326 4.287 3.960 0.001 0.000 0.296 266 G C -1.363 173.523 174.900 -0.025 0.000 1.289 266 G CA -0.000 45.077 45.100 -0.038 0.000 0.996 266 G HN 0.547 nan 8.290 nan 0.000 0.487 267 E N -0.374 119.823 120.200 -0.005 0.000 2.301 267 E HA 0.431 4.781 4.350 0.001 0.000 0.275 267 E C -0.289 176.323 176.600 0.021 0.000 1.030 267 E CA -0.455 55.974 56.400 0.049 0.000 0.852 267 E CB 0.848 30.587 29.700 0.065 0.000 1.060 267 E HN 0.271 nan 8.360 nan 0.000 0.401 268 F N 4.570 124.634 119.950 0.190 0.000 2.593 268 F HA -0.029 4.499 4.527 0.001 0.000 0.393 268 F C -1.358 174.483 175.800 0.069 0.000 1.037 268 F CA -0.863 57.245 58.000 0.180 0.000 1.195 268 F CB -0.175 38.906 39.000 0.136 0.000 1.034 268 F HN 0.194 nan 8.300 nan 0.000 0.552 269 P HA 0.042 nan 4.420 nan 0.000 0.269 269 P C -0.516 176.862 177.300 0.130 0.000 1.209 269 P CA -0.060 63.103 63.100 0.106 0.000 0.776 269 P CB 1.664 33.399 31.700 0.059 0.000 0.876 270 V N 3.711 123.669 119.914 0.073 0.000 2.713 270 V HA 0.530 4.651 4.120 0.001 0.000 0.307 270 V C -0.144 175.992 176.094 0.070 0.000 1.052 270 V CA -0.970 61.369 62.300 0.065 0.000 0.967 270 V CB 1.375 33.203 31.823 0.008 0.000 1.019 270 V HN 0.637 nan 8.190 nan 0.000 0.459 271 R N 5.415 125.973 120.500 0.097 0.000 2.480 271 R HA 0.634 4.974 4.340 0.001 0.000 0.306 271 R C -2.882 173.447 176.300 0.049 0.000 0.958 271 R CA -1.837 54.295 56.100 0.053 0.000 0.861 271 R CB 2.302 32.626 30.300 0.041 0.000 1.171 271 R HN 0.609 nan 8.270 nan 0.000 0.445 272 P HA 0.159 nan 4.420 nan 0.000 0.279 272 P C -1.293 176.005 177.300 -0.005 0.000 1.252 272 P CA -0.478 62.628 63.100 0.010 0.000 0.811 272 P CB 0.834 32.536 31.700 0.004 0.000 1.035 273 D N -0.741 119.658 120.400 -0.002 0.000 2.432 273 D HA 0.230 4.870 4.640 0.001 0.000 0.258 273 D C -0.147 176.128 176.300 -0.040 0.000 1.146 273 D CA -0.685 53.302 54.000 -0.022 0.000 1.015 273 D CB -0.130 40.669 40.800 -0.002 0.000 1.107 273 D HN 0.289 nan 8.370 nan 0.000 0.529 274 N N -1.231 117.429 118.700 -0.067 0.000 2.754 274 N HA -0.198 4.542 4.740 0.001 0.000 0.248 274 N C -0.686 174.743 175.510 -0.135 0.000 1.093 274 N CA 0.314 53.308 53.050 -0.092 0.000 0.699 274 N CB -1.408 37.050 38.487 -0.049 0.000 1.016 274 N HN 0.548 nan 8.380 nan 0.000 0.552 275 I N 0.022 120.501 120.570 -0.151 0.000 2.970 275 I HA 0.139 4.309 4.170 0.001 0.000 0.310 275 I C 0.750 176.692 176.117 -0.292 0.000 1.010 275 I CA -0.379 60.832 61.300 -0.147 0.000 1.228 275 I CB 0.803 38.730 38.000 -0.121 0.000 1.433 275 I HN 0.067 nan 8.210 nan 0.000 0.573 276 H N 3.088 122.171 119.070 0.022 0.000 2.457 276 H HA 0.301 4.857 4.556 0.001 0.000 0.335 276 H C -1.020 174.373 175.328 0.107 0.000 1.115 276 H CA -0.369 55.732 56.048 0.088 0.000 1.219 276 H CB 1.082 30.904 29.762 0.101 0.000 1.471 276 H HN 0.274 nan 8.280 nan 0.000 0.491 277 F N 2.809 122.869 119.950 0.183 0.000 2.518 277 F HA 0.001 4.529 4.527 0.001 0.000 0.375 277 F C 0.975 176.874 175.800 0.165 0.000 1.097 277 F CA 0.488 58.585 58.000 0.162 0.000 1.108 277 F CB 0.005 39.137 39.000 0.220 0.000 1.078 277 F HN 0.470 nan 8.300 nan 0.000 0.564 278 E N 1.823 122.206 120.200 0.305 0.000 2.283 278 E HA 0.071 4.422 4.350 0.001 0.000 0.267 278 E C -0.719 176.027 176.600 0.244 0.000 1.045 278 E CA -0.971 55.582 56.400 0.255 0.000 0.884 278 E CB 0.887 30.699 29.700 0.187 0.000 1.106 278 E HN 0.346 nan 8.360 nan 0.000 0.408 279 D N 1.317 121.853 120.400 0.226 0.000 2.434 279 D HA 0.018 4.659 4.640 0.001 0.000 0.252 279 D C -1.028 175.354 176.300 0.136 0.000 1.185 279 D CA 0.239 54.336 54.000 0.162 0.000 0.886 279 D CB 0.731 41.658 40.800 0.211 0.000 1.148 279 D HN 0.037 nan 8.370 nan 0.000 0.483 280 V N 4.177 124.111 119.914 0.034 0.000 2.328 280 V HA 0.220 4.340 4.120 0.001 0.000 0.278 280 V C -0.665 175.411 176.094 -0.030 0.000 1.021 280 V CA -0.932 61.371 62.300 0.004 0.000 0.838 280 V CB 1.017 32.831 31.823 -0.015 0.000 0.999 280 V HN 0.378 nan 8.190 nan 0.000 0.447 281 D N 4.918 125.344 120.400 0.042 0.000 2.478 281 D HA 0.308 4.948 4.640 0.001 0.000 0.234 281 D C 1.368 177.650 176.300 -0.029 0.000 1.154 281 D CA 1.281 55.281 54.000 -0.000 0.000 0.874 281 D CB 0.940 41.774 40.800 0.057 0.000 1.198 281 D HN 1.171 nan 8.370 nan 0.000 0.455 282 G N 0.114 108.887 108.800 -0.045 0.000 2.435 282 G HA2 -0.371 3.590 3.960 0.001 0.000 0.245 282 G HA3 -0.371 3.590 3.960 0.001 0.000 0.245 282 G C 1.062 175.939 174.900 -0.039 0.000 1.073 282 G CA 0.612 45.695 45.100 -0.028 0.000 0.638 282 G HN 0.442 nan 8.290 nan 0.000 0.521 283 V N -0.010 119.871 119.914 -0.054 0.000 2.326 283 V HA 0.660 4.780 4.120 0.001 0.000 0.237 283 V C 1.268 177.316 176.094 -0.077 0.000 1.044 283 V CA 2.194 64.464 62.300 -0.051 0.000 1.035 283 V CB -0.509 31.288 31.823 -0.044 0.000 0.675 283 V HN 2.070 nan 8.190 nan 0.000 0.470 284 A N -2.225 120.524 122.820 -0.118 0.000 2.581 284 A HA 0.502 4.823 4.320 0.001 0.000 0.294 284 A C -0.926 176.550 177.584 -0.180 0.000 1.035 284 A CA -0.719 51.232 52.037 -0.143 0.000 0.684 284 A CB 0.243 19.179 19.000 -0.106 0.000 1.282 284 A HN 0.373 nan 8.150 nan 0.000 0.417 285 H N 0.467 119.508 119.070 -0.049 0.000 2.871 285 H HA 0.117 4.674 4.556 0.001 0.000 0.355 285 H C 1.560 176.835 175.328 -0.088 0.000 1.092 285 H CA 1.270 57.300 56.048 -0.031 0.000 1.420 285 H CB 1.126 30.891 29.762 0.005 0.000 1.400 285 H HN 0.389 nan 8.280 nan 0.000 0.604 286 V N 2.319 122.298 119.914 0.108 0.000 2.759 286 V HA -0.210 3.911 4.120 0.001 0.000 0.256 286 V C 2.053 178.077 176.094 -0.116 0.000 1.080 286 V CA 1.689 63.956 62.300 -0.056 0.000 1.101 286 V CB -0.773 31.087 31.823 0.062 0.000 0.698 286 V HN 0.715 nan 8.190 nan 0.000 0.477 287 H N 0.597 119.618 119.070 -0.082 0.000 2.470 287 H HA -0.049 4.507 4.556 0.001 0.000 0.289 287 H C 1.917 177.149 175.328 -0.159 0.000 1.033 287 H CA 1.170 57.151 56.048 -0.112 0.000 1.331 287 H CB -0.146 29.564 29.762 -0.087 0.000 1.414 287 H HN 0.298 nan 8.280 nan 0.000 0.545 288 D N -0.157 120.186 120.400 -0.094 0.000 2.228 288 D HA -0.140 4.501 4.640 0.001 0.000 0.203 288 D C 2.128 178.236 176.300 -0.319 0.000 0.988 288 D CA 0.686 54.575 54.000 -0.184 0.000 0.864 288 D CB 0.031 40.809 40.800 -0.036 0.000 0.928 288 D HN 0.411 nan 8.370 nan 0.000 0.469 289 L N 0.162 121.100 121.223 -0.476 0.000 2.062 289 L HA -0.046 4.294 4.340 0.001 0.000 0.202 289 L C 2.330 178.918 176.870 -0.471 0.000 1.079 289 L CA 0.607 55.056 54.840 -0.652 0.000 0.755 289 L CB -0.361 40.939 42.059 -1.265 0.000 0.913 289 L HN -0.074 nan 8.230 nan 0.000 0.445 290 E N 0.478 120.396 120.200 -0.470 0.000 2.149 290 E HA -0.316 4.035 4.350 0.001 0.000 0.215 290 E C 2.022 178.505 176.600 -0.196 0.000 1.055 290 E CA 2.438 58.721 56.400 -0.194 0.000 0.870 290 E CB -0.306 29.311 29.700 -0.139 0.000 0.764 290 E HN 0.578 nan 8.360 nan 0.000 0.463 291 I N -1.342 119.017 120.570 -0.352 0.000 2.252 291 I HA -0.175 3.995 4.170 0.001 0.000 0.245 291 I C 2.329 178.344 176.117 -0.170 0.000 1.102 291 I CA 1.313 62.458 61.300 -0.259 0.000 1.385 291 I CB -1.037 36.787 38.000 -0.294 0.000 1.064 291 I HN -0.053 nan 8.210 nan 0.000 0.414 292 T N 1.100 115.545 114.554 -0.181 0.000 2.635 292 T HA -0.275 4.075 4.350 0.001 0.000 0.267 292 T C 1.795 176.453 174.700 -0.070 0.000 1.040 292 T CA 2.332 64.352 62.100 -0.133 0.000 1.156 292 T CB -0.415 68.372 68.868 -0.135 0.000 0.863 292 T HN 0.554 nan 8.240 nan 0.000 0.430 293 E N 0.464 120.649 120.200 -0.026 0.000 2.108 293 E HA -0.211 4.140 4.350 0.001 0.000 0.203 293 E C 2.231 178.900 176.600 0.115 0.000 1.022 293 E CA 1.799 58.237 56.400 0.064 0.000 0.823 293 E CB -0.145 29.686 29.700 0.219 0.000 0.744 293 E HN 0.435 nan 8.360 nan 0.000 0.456 294 S N 0.128 115.879 115.700 0.085 0.000 2.355 294 S HA -0.101 4.369 4.470 0.001 0.000 0.222 294 S C 1.896 176.546 174.600 0.082 0.000 1.031 294 S CA 1.159 59.411 58.200 0.088 0.000 0.993 294 S CB -0.261 62.950 63.200 0.018 0.000 0.859 294 S HN 0.262 nan 8.310 nan 0.000 0.453 295 R N 0.816 121.327 120.500 0.018 0.000 2.096 295 R HA -0.054 4.286 4.340 0.001 0.000 0.240 295 R C 2.157 178.535 176.300 0.130 0.000 1.139 295 R CA 1.463 57.568 56.100 0.009 0.000 0.952 295 R CB -0.519 29.607 30.300 -0.291 0.000 0.854 295 R HN 0.314 nan 8.270 nan 0.000 0.436 296 I N 0.012 120.597 120.570 0.025 0.000 2.179 296 I HA -0.268 3.903 4.170 0.001 0.000 0.242 296 I C 2.111 178.137 176.117 -0.153 0.000 1.088 296 I CA 1.660 62.875 61.300 -0.141 0.000 1.357 296 I CB -1.272 36.560 38.000 -0.281 0.000 1.051 296 I HN 0.269 nan 8.210 nan 0.000 0.409 297 H N 0.414 119.418 119.070 -0.110 0.000 2.559 297 H HA -0.035 4.522 4.556 0.001 0.000 0.273 297 H C 1.966 177.250 175.328 -0.073 0.000 1.000 297 H CA 0.783 56.764 56.048 -0.112 0.000 1.195 297 H CB 0.242 29.946 29.762 -0.098 0.000 1.368 297 H HN 0.512 nan 8.280 nan 0.000 0.592 298 E N -0.456 119.803 120.200 0.098 0.000 2.389 298 E HA 0.072 4.422 4.350 0.001 0.000 0.199 298 E C 1.987 178.642 176.600 0.092 0.000 0.978 298 E CA 0.428 56.887 56.400 0.098 0.000 0.912 298 E CB 0.355 30.159 29.700 0.173 0.000 0.907 298 E HN 0.304 nan 8.360 nan 0.000 0.494 299 A N 1.233 124.077 122.820 0.040 0.000 1.874 299 A HA -0.054 4.266 4.320 0.001 0.000 0.214 299 A C 2.053 179.608 177.584 -0.049 0.000 1.189 299 A CA 0.775 52.794 52.037 -0.030 0.000 0.615 299 A CB -0.525 18.423 19.000 -0.086 0.000 0.830 299 A HN 0.266 nan 8.150 nan 0.000 0.443 300 I N 0.271 120.804 120.570 -0.061 0.000 2.194 300 I HA -0.300 3.871 4.170 0.001 0.000 0.246 300 I C 1.852 177.954 176.117 -0.025 0.000 1.093 300 I CA 1.688 62.980 61.300 -0.014 0.000 1.355 300 I CB -0.403 37.567 38.000 -0.051 0.000 1.046 300 I HN 0.246 nan 8.210 nan 0.000 0.413 301 D N -0.551 119.820 120.400 -0.049 0.000 2.117 301 D HA -0.162 4.478 4.640 0.001 0.000 0.198 301 D C 2.164 178.364 176.300 -0.167 0.000 0.982 301 D CA 1.186 55.121 54.000 -0.107 0.000 0.828 301 D CB -0.301 40.425 40.800 -0.123 0.000 0.967 301 D HN 0.395 nan 8.370 nan 0.000 0.464 302 H N -0.582 118.359 119.070 -0.215 0.000 2.299 302 H HA -0.018 4.539 4.556 0.001 0.000 0.302 302 H C 1.671 176.807 175.328 -0.320 0.000 1.078 302 H CA 1.991 57.798 56.048 -0.402 0.000 1.323 302 H CB 0.290 29.459 29.762 -0.989 0.000 1.381 302 H HN 0.356 nan 8.280 nan 0.000 0.498 303 G N -0.805 107.942 108.800 -0.087 0.000 2.336 303 G HA2 -0.185 3.775 3.960 0.001 0.000 0.194 303 G HA3 -0.185 3.775 3.960 0.001 0.000 0.194 303 G C -0.457 174.545 174.900 0.170 0.000 0.999 303 G CA 0.159 45.306 45.100 0.078 0.000 0.669 303 G HN 0.517 nan 8.290 nan 0.000 0.482 304 Y N -0.351 120.044 120.300 0.158 0.000 2.553 304 Y HA 0.842 5.393 4.550 0.001 0.000 0.347 304 Y C -0.331 175.620 175.900 0.085 0.000 1.019 304 Y CA -2.489 55.675 58.100 0.105 0.000 1.032 304 Y CB 0.929 39.438 38.460 0.081 0.000 1.284 304 Y HN 0.090 nan 8.280 nan 0.000 0.466 305 I N 2.413 123.170 120.570 0.311 0.000 2.428 305 I HA 0.451 4.622 4.170 0.001 0.000 0.296 305 I C 0.161 176.505 176.117 0.378 0.000 0.985 305 I CA -0.536 60.903 61.300 0.231 0.000 1.260 305 I CB 2.025 40.060 38.000 0.059 0.000 1.389 305 I HN 0.881 nan 8.210 nan 0.000 0.484 306 T N 1.778 116.624 114.554 0.486 0.000 2.823 306 T HA 0.522 4.873 4.350 0.001 0.000 0.279 306 T C -0.670 174.198 174.700 0.281 0.000 0.998 306 T CA -0.911 61.379 62.100 0.317 0.000 0.994 306 T CB 1.266 70.293 68.868 0.265 0.000 0.960 306 T HN 0.583 nan 8.240 nan 0.000 0.448 307 D N 2.302 122.815 120.400 0.189 0.000 2.487 307 D HA 0.405 5.046 4.640 0.001 0.000 0.262 307 D C 1.471 177.826 176.300 0.093 0.000 1.130 307 D CA -0.725 53.381 54.000 0.176 0.000 1.038 307 D CB 0.191 41.092 40.800 0.167 0.000 1.142 307 D HN 0.394 nan 8.370 nan 0.000 0.575 308 S N -0.290 115.463 115.700 0.089 0.000 2.408 308 S HA -0.285 4.185 4.470 0.001 0.000 0.241 308 S C 1.044 175.647 174.600 0.004 0.000 1.080 308 S CA 2.017 60.243 58.200 0.043 0.000 1.109 308 S CB -0.721 62.518 63.200 0.066 0.000 0.966 308 S HN 0.698 nan 8.310 nan 0.000 0.449 309 D N 0.142 120.570 120.400 0.047 0.000 2.349 309 D HA 0.242 4.883 4.640 0.001 0.000 0.215 309 D C 1.365 177.548 176.300 -0.195 0.000 1.016 309 D CA 0.797 54.793 54.000 -0.007 0.000 0.870 309 D CB -0.006 40.881 40.800 0.146 0.000 0.917 309 D HN 0.598 nan 8.370 nan 0.000 0.524 310 G N 1.295 109.999 108.800 -0.160 0.000 2.141 310 G HA2 -0.198 3.762 3.960 0.001 0.000 0.231 310 G HA3 -0.198 3.762 3.960 0.001 0.000 0.231 310 G C 0.037 174.762 174.900 -0.291 0.000 0.984 310 G CA -0.408 44.555 45.100 -0.230 0.000 0.660 310 G HN 0.379 nan 8.290 nan 0.000 0.525 311 H N 1.087 120.133 119.070 -0.041 0.000 2.511 311 H HA 0.538 5.095 4.556 0.001 0.000 0.346 311 H C 0.914 176.204 175.328 -0.063 0.000 1.128 311 H CA 0.891 56.906 56.048 -0.055 0.000 1.342 311 H CB 1.353 31.100 29.762 -0.025 0.000 1.470 311 H HN 0.431 nan 8.280 nan 0.000 0.546 312 T N -0.127 114.425 114.554 -0.003 0.000 2.928 312 T HA 0.478 4.828 4.350 0.001 0.000 0.284 312 T C 0.184 174.900 174.700 0.025 0.000 1.008 312 T CA -0.957 61.084 62.100 -0.099 0.000 1.057 312 T CB 0.934 69.424 68.868 -0.629 0.000 1.018 312 T HN 0.442 nan 8.240 nan 0.000 0.493 313 I N 0.257 120.890 120.570 0.105 0.000 2.468 313 I HA 0.429 4.600 4.170 0.001 0.000 0.284 313 I C -0.587 175.629 176.117 0.165 0.000 1.038 313 I CA -0.881 60.487 61.300 0.113 0.000 1.083 313 I CB 1.474 39.538 38.000 0.108 0.000 1.223 313 I HN 0.786 nan 8.210 nan 0.000 0.443 314 D N 6.201 126.690 120.400 0.147 0.000 2.472 314 D HA 0.099 4.739 4.640 0.001 0.000 0.237 314 D C 0.722 177.133 176.300 0.184 0.000 1.141 314 D CA 0.429 54.542 54.000 0.188 0.000 0.875 314 D CB 1.043 41.923 40.800 0.132 0.000 1.192 314 D HN 0.809 nan 8.370 nan 0.000 0.450 315 I N 0.268 120.969 120.570 0.219 0.000 4.102 315 I HA 0.280 4.451 4.170 0.001 0.000 0.325 315 I C 0.656 176.987 176.117 0.358 0.000 1.471 315 I CA -0.618 60.823 61.300 0.236 0.000 1.133 315 I CB 0.314 38.416 38.000 0.171 0.000 1.184 315 I HN 0.011 nan 8.210 nan 0.000 0.451 316 R N 3.222 123.896 120.500 0.290 0.000 4.680 316 R HA 0.271 4.611 4.340 0.001 0.000 0.222 316 R C -0.216 176.152 176.300 0.114 0.000 1.803 316 R CA 0.144 56.443 56.100 0.331 0.000 1.560 316 R CB -0.224 30.211 30.300 0.224 0.000 1.412 316 R HN 0.752 nan 8.270 nan 0.000 0.815 317 Q N -1.624 118.291 119.800 0.193 0.000 2.814 317 Q HA 0.438 4.779 4.340 0.001 0.000 0.322 317 Q C -2.336 173.729 176.000 0.108 0.000 0.888 317 Q CA -1.447 54.363 55.803 0.012 0.000 0.768 317 Q CB 1.429 30.197 28.738 0.051 0.000 1.443 317 Q HN -0.117 nan 8.270 nan 0.000 0.497 318 P HA -0.169 nan 4.420 nan 0.000 0.218 318 P C 0.600 177.995 177.300 0.158 0.000 1.148 318 P CA 1.082 64.257 63.100 0.126 0.000 0.822 318 P CB 0.234 31.985 31.700 0.084 0.000 0.784 319 K N -0.024 120.458 120.400 0.137 0.000 2.432 319 K HA 0.054 4.374 4.320 0.001 0.000 0.196 319 K C 2.175 178.861 176.600 0.143 0.000 1.038 319 K CA 0.722 57.087 56.287 0.130 0.000 0.986 319 K CB -1.305 31.263 32.500 0.112 0.000 0.782 319 K HN 0.109 nan 8.250 nan 0.000 0.485 320 G N 1.877 110.796 108.800 0.198 0.000 2.839 320 G HA2 -0.330 3.631 3.960 0.001 0.000 0.221 320 G HA3 -0.330 3.631 3.960 0.001 0.000 0.221 320 G C 1.522 176.438 174.900 0.026 0.000 1.271 320 G CA 1.188 46.414 45.100 0.210 0.000 0.789 320 G HN 0.397 nan 8.290 nan 0.000 0.659 321 I N 1.752 122.350 120.570 0.047 0.000 2.502 321 I HA -0.189 3.981 4.170 0.001 0.000 0.258 321 I C 2.867 179.007 176.117 0.037 0.000 1.172 321 I CA 2.129 63.399 61.300 -0.049 0.000 1.430 321 I CB -0.115 37.859 38.000 -0.042 0.000 1.086 321 I HN 0.656 nan 8.210 nan 0.000 0.440 322 E N 0.110 120.359 120.200 0.082 0.000 2.102 322 E HA -0.118 4.233 4.350 0.001 0.000 0.190 322 E C 2.176 178.837 176.600 0.103 0.000 0.971 322 E CA 0.404 56.871 56.400 0.113 0.000 0.821 322 E CB -0.666 29.113 29.700 0.130 0.000 0.777 322 E HN 0.352 nan 8.360 nan 0.000 0.460 323 L N 0.855 122.129 121.223 0.086 0.000 2.089 323 L HA -0.229 4.111 4.340 0.001 0.000 0.213 323 L C 2.571 179.448 176.870 0.013 0.000 1.079 323 L CA 1.134 56.015 54.840 0.067 0.000 0.758 323 L CB -0.407 41.687 42.059 0.060 0.000 0.891 323 L HN 0.260 nan 8.230 nan 0.000 0.433 324 L N -0.692 120.515 121.223 -0.027 0.000 2.017 324 L HA -0.175 4.165 4.340 0.001 0.000 0.208 324 L C 2.370 179.278 176.870 0.062 0.000 1.073 324 L CA 1.608 56.407 54.840 -0.068 0.000 0.745 324 L CB -0.742 41.214 42.059 -0.173 0.000 0.894 324 L HN 0.338 nan 8.230 nan 0.000 0.432 325 G N -1.660 107.287 108.800 0.245 0.000 2.744 325 G HA2 -0.160 3.801 3.960 0.001 0.000 0.211 325 G HA3 -0.160 3.801 3.960 0.001 0.000 0.211 325 G C 0.930 175.827 174.900 -0.005 0.000 1.143 325 G CA 0.259 45.527 45.100 0.281 0.000 0.788 325 G HN 0.315 nan 8.290 nan 0.000 0.534 326 D N 0.683 121.099 120.400 0.027 0.000 2.183 326 D HA -0.040 4.601 4.640 0.001 0.000 0.205 326 D C 2.655 178.959 176.300 0.007 0.000 0.962 326 D CA 0.609 54.625 54.000 0.028 0.000 0.849 326 D CB 0.006 40.882 40.800 0.128 0.000 0.978 326 D HN 0.583 nan 8.370 nan 0.000 0.488 327 I N -2.129 118.430 120.570 -0.017 0.000 2.703 327 I HA 0.060 4.231 4.170 0.001 0.000 0.259 327 I C 2.133 178.208 176.117 -0.069 0.000 1.151 327 I CA 0.459 61.736 61.300 -0.038 0.000 1.470 327 I CB -0.142 37.767 38.000 -0.150 0.000 1.112 327 I HN -0.190 nan 8.210 nan 0.000 0.437 328 I N 1.774 122.281 120.570 -0.105 0.000 2.286 328 I HA -0.192 3.979 4.170 0.001 0.000 0.245 328 I C 2.724 178.830 176.117 -0.019 0.000 1.104 328 I CA 1.723 62.965 61.300 -0.097 0.000 1.397 328 I CB -0.127 37.757 38.000 -0.193 0.000 1.072 328 I HN 0.400 nan 8.210 nan 0.000 0.417 329 E N 0.472 120.561 120.200 -0.186 0.000 2.190 329 E HA -0.066 4.284 4.350 0.001 0.000 0.191 329 E C 0.303 176.935 176.600 0.053 0.000 0.978 329 E CA 0.635 56.968 56.400 -0.112 0.000 0.839 329 E CB 0.483 29.610 29.700 -0.955 0.000 0.787 329 E HN 0.152 nan 8.360 nan 0.000 0.473 330 S N 0.274 115.947 115.700 -0.045 0.000 3.880 330 S HA -0.105 4.366 4.470 0.001 0.000 0.658 330 S C -0.312 174.313 174.600 0.041 0.000 0.597 330 S CA 0.198 58.401 58.200 0.006 0.000 1.420 330 S CB -1.368 61.852 63.200 0.033 0.000 0.821 330 S HN 0.600 nan 8.310 nan 0.000 0.914 331 S N 2.726 118.458 115.700 0.053 0.000 2.666 331 S HA 0.557 5.028 4.470 0.001 0.000 0.279 331 S C 0.719 175.424 174.600 0.176 0.000 1.149 331 S CA -0.860 57.416 58.200 0.126 0.000 1.020 331 S CB 0.654 63.847 63.200 -0.011 0.000 1.127 331 S HN 0.577 nan 8.310 nan 0.000 0.537 332 K N -0.377 120.157 120.400 0.225 0.000 2.469 332 K HA 0.150 4.471 4.320 0.001 0.000 0.201 332 K C -0.196 176.673 176.600 0.448 0.000 1.028 332 K CA 0.161 56.633 56.287 0.307 0.000 1.170 332 K CB -0.164 32.526 32.500 0.317 0.000 0.874 332 K HN 0.491 nan 8.250 nan 0.000 0.507 333 Y N 0.762 121.142 120.300 0.133 0.000 2.466 333 Y HA 0.108 4.659 4.550 0.001 0.000 0.272 333 Y C 1.083 177.051 175.900 0.113 0.000 1.169 333 Y CA -1.057 57.120 58.100 0.127 0.000 1.285 333 Y CB -0.123 38.413 38.460 0.127 0.000 1.078 333 Y HN -0.098 nan 8.280 nan 0.000 0.523 334 S N 0.117 115.974 115.700 0.261 0.000 2.593 334 S HA -0.053 4.418 4.470 0.001 0.000 0.300 334 S C 1.409 176.119 174.600 0.183 0.000 1.267 334 S CA 0.436 58.750 58.200 0.189 0.000 1.065 334 S CB 0.595 63.895 63.200 0.166 0.000 0.807 334 S HN 0.430 nan 8.310 nan 0.000 0.499 335 S N 3.552 119.363 115.700 0.186 0.000 2.395 335 S HA 0.050 4.520 4.470 0.001 0.000 0.225 335 S C 0.869 175.597 174.600 0.213 0.000 1.027 335 S CA 0.364 58.677 58.200 0.187 0.000 0.965 335 S CB -0.209 63.103 63.200 0.187 0.000 0.812 335 S HN 0.805 nan 8.310 nan 0.000 0.482 336 N N 0.726 119.594 118.700 0.281 0.000 2.710 336 N HA 0.166 4.907 4.740 0.001 0.000 0.244 336 N C -0.137 175.503 175.510 0.217 0.000 1.321 336 N CA -0.118 53.070 53.050 0.231 0.000 0.758 336 N CB 1.226 39.846 38.487 0.223 0.000 1.284 336 N HN 0.007 nan 8.380 nan 0.000 0.530 337 V N 2.376 122.387 119.914 0.161 0.000 2.970 337 V HA -0.030 4.091 4.120 0.001 0.000 0.260 337 V C 1.900 178.042 176.094 0.080 0.000 1.100 337 V CA 1.694 64.070 62.300 0.127 0.000 1.122 337 V CB -0.160 31.732 31.823 0.115 0.000 0.721 337 V HN 0.660 nan 8.190 nan 0.000 0.483 338 Q N -1.769 118.075 119.800 0.074 0.000 2.311 338 Q HA -0.145 4.196 4.340 0.001 0.000 0.203 338 Q C 1.832 177.866 176.000 0.057 0.000 0.954 338 Q CA 1.362 57.197 55.803 0.054 0.000 0.885 338 Q CB 0.080 28.845 28.738 0.046 0.000 0.963 338 Q HN 0.810 nan 8.270 nan 0.000 0.471 339 Y N -0.931 119.281 120.300 -0.146 0.000 2.382 339 Y HA -0.008 4.543 4.550 0.001 0.000 0.292 339 Y C 0.697 176.395 175.900 -0.336 0.000 1.151 339 Y CA 0.732 58.641 58.100 -0.318 0.000 1.198 339 Y CB -0.060 38.111 38.460 -0.481 0.000 1.195 339 Y HN 0.028 nan 8.280 nan 0.000 0.530 340 Y N 0.953 121.160 120.300 -0.155 0.000 2.471 340 Y HA 0.307 4.857 4.550 0.001 0.000 0.286 340 Y C 1.889 177.712 175.900 -0.129 0.000 1.188 340 Y CA -0.045 57.924 58.100 -0.218 0.000 1.286 340 Y CB -0.618 37.754 38.460 -0.147 0.000 1.072 340 Y HN 0.282 nan 8.280 nan 0.000 0.517 341 G N 0.528 109.336 108.800 0.013 0.000 2.684 341 G HA2 -0.376 3.585 3.960 0.001 0.000 0.342 341 G HA3 -0.376 3.585 3.960 0.001 0.000 0.342 341 G C 0.284 175.200 174.900 0.026 0.000 1.316 341 G CA 0.788 45.893 45.100 0.007 0.000 0.994 341 G HN 0.392 nan 8.290 nan 0.000 0.541 342 S N -0.564 115.140 115.700 0.007 0.000 2.356 342 S HA 0.451 4.921 4.470 0.001 0.000 0.171 342 S C 1.033 175.648 174.600 0.025 0.000 1.399 342 S CA 0.372 58.583 58.200 0.019 0.000 1.225 342 S CB 0.208 63.411 63.200 0.004 0.000 1.271 342 S HN 0.762 nan 8.310 nan 0.000 0.427 343 L N 3.768 125.021 121.223 0.050 0.000 1.941 343 L HA -0.174 4.167 4.340 0.001 0.000 0.224 343 L C 2.365 179.329 176.870 0.157 0.000 1.081 343 L CA 2.270 57.167 54.840 0.095 0.000 0.784 343 L CB -0.622 41.499 42.059 0.104 0.000 0.894 343 L HN 0.858 nan 8.230 nan 0.000 0.436 344 H N -0.038 119.121 119.070 0.148 0.000 2.253 344 H HA -0.195 4.361 4.556 0.001 0.000 0.299 344 H C 2.023 177.515 175.328 0.273 0.000 1.064 344 H CA 2.183 58.374 56.048 0.237 0.000 1.264 344 H CB -0.117 29.861 29.762 0.359 0.000 1.371 344 H HN 0.425 nan 8.280 nan 0.000 0.493 345 N N 0.126 118.791 118.700 -0.058 0.000 2.021 345 N HA -0.155 4.585 4.740 0.001 0.000 0.198 345 N C 2.056 177.525 175.510 -0.067 0.000 1.041 345 N CA 2.343 55.356 53.050 -0.060 0.000 0.862 345 N CB -1.178 37.294 38.487 -0.026 0.000 1.048 345 N HN 0.427 nan 8.380 nan 0.000 0.427 346 T N 1.276 115.807 114.554 -0.039 0.000 2.653 346 T HA -0.188 4.163 4.350 0.001 0.000 0.268 346 T C 1.877 176.548 174.700 -0.049 0.000 1.035 346 T CA 1.805 63.872 62.100 -0.056 0.000 1.154 346 T CB -0.570 68.251 68.868 -0.079 0.000 0.862 346 T HN 0.452 nan 8.240 nan 0.000 0.441 347 A N 0.754 123.574 122.820 -0.000 0.000 2.131 347 A HA -0.175 4.145 4.320 0.001 0.000 0.220 347 A C 2.050 179.602 177.584 -0.052 0.000 1.158 347 A CA 1.312 53.420 52.037 0.119 0.000 0.665 347 A CB -0.672 18.456 19.000 0.214 0.000 0.795 347 A HN 0.621 nan 8.150 nan 0.000 0.460 348 H N -0.724 118.189 119.070 -0.261 0.000 2.294 348 H HA -0.054 4.503 4.556 0.001 0.000 0.306 348 H C 2.189 177.283 175.328 -0.391 0.000 1.065 348 H CA 1.974 57.770 56.048 -0.420 0.000 1.343 348 H CB -0.033 29.181 29.762 -0.914 0.000 1.396 348 H HN 0.327 nan 8.280 nan 0.000 0.506 349 V N 0.838 120.601 119.914 -0.252 0.000 2.759 349 V HA -0.218 3.902 4.120 0.001 0.000 0.256 349 V C 2.422 178.474 176.094 -0.070 0.000 1.080 349 V CA 1.393 63.589 62.300 -0.174 0.000 1.101 349 V CB -0.566 31.194 31.823 -0.105 0.000 0.698 349 V HN 0.226 nan 8.190 nan 0.000 0.477 350 M N -0.226 119.366 119.600 -0.012 0.000 2.288 350 M HA 0.055 4.536 4.480 0.001 0.000 0.266 350 M C 1.851 178.261 176.300 0.184 0.000 1.072 350 M CA 1.686 57.046 55.300 0.101 0.000 1.132 350 M CB -0.347 32.329 32.600 0.126 0.000 1.386 350 M HN 0.227 nan 8.290 nan 0.000 0.432 351 L N -0.939 120.360 121.223 0.128 0.000 2.291 351 L HA 0.008 4.349 4.340 0.001 0.000 0.214 351 L C 2.063 178.889 176.870 -0.074 0.000 1.120 351 L CA 1.048 55.886 54.840 -0.003 0.000 0.799 351 L CB -0.620 41.391 42.059 -0.080 0.000 0.925 351 L HN 0.520 nan 8.230 nan 0.000 0.446 352 G N -1.034 107.729 108.800 -0.061 0.000 2.492 352 G HA2 -0.112 3.849 3.960 0.001 0.000 0.214 352 G HA3 -0.112 3.849 3.960 0.001 0.000 0.214 352 G C 1.351 176.226 174.900 -0.041 0.000 1.147 352 G CA -0.195 44.877 45.100 -0.048 0.000 0.809 352 G HN 0.132 nan 8.290 nan 0.000 0.533 353 R N 0.739 121.212 120.500 -0.046 0.000 2.335 353 R HA 0.166 4.507 4.340 0.001 0.000 0.223 353 R C 1.709 177.979 176.300 -0.050 0.000 0.940 353 R CA -0.172 55.898 56.100 -0.051 0.000 1.086 353 R CB -0.124 30.139 30.300 -0.061 0.000 1.073 353 R HN 0.285 nan 8.270 nan 0.000 0.504 354 Q N 0.106 119.875 119.800 -0.052 0.000 2.376 354 Q HA -0.087 4.254 4.340 0.001 0.000 0.211 354 Q C 1.616 177.588 176.000 -0.048 0.000 0.986 354 Q CA 1.559 57.315 55.803 -0.078 0.000 0.886 354 Q CB -0.246 28.387 28.738 -0.176 0.000 0.927 354 Q HN 0.458 nan 8.270 nan 0.000 0.457 355 G N -0.393 108.396 108.800 -0.018 0.000 2.880 355 G HA2 -0.048 3.912 3.960 0.001 0.000 0.209 355 G HA3 -0.048 3.912 3.960 0.001 0.000 0.209 355 G C -0.272 174.664 174.900 0.060 0.000 1.157 355 G CA 0.212 45.327 45.100 0.026 0.000 0.779 355 G HN 0.237 nan 8.290 nan 0.000 0.539 356 D N -1.567 118.832 120.400 -0.002 0.000 2.492 356 D HA 0.195 4.835 4.640 0.001 0.000 0.229 356 D C -2.294 173.901 176.300 -0.176 0.000 1.345 356 D CA -0.869 53.107 54.000 -0.040 0.000 0.912 356 D CB 1.128 41.953 40.800 0.041 0.000 1.526 356 D HN -0.052 nan 8.370 nan 0.000 0.505 357 P HA 0.006 nan 4.420 nan 0.000 0.217 357 P C 1.015 178.068 177.300 -0.413 0.000 1.154 357 P CA 0.758 63.615 63.100 -0.404 0.000 0.841 357 P CB 0.182 31.590 31.700 -0.488 0.000 0.790 358 H N -1.337 117.682 119.070 -0.084 0.000 2.548 358 H HA 0.285 4.842 4.556 0.001 0.000 0.268 358 H C 1.146 176.398 175.328 -0.127 0.000 0.975 358 H CA 0.949 56.938 56.048 -0.099 0.000 1.195 358 H CB -0.698 29.011 29.762 -0.088 0.000 1.397 358 H HN 0.104 nan 8.280 nan 0.000 0.572 359 G N 2.277 110.951 108.800 -0.210 0.000 2.353 359 G HA2 -0.320 3.640 3.960 0.001 0.000 0.294 359 G HA3 -0.320 3.640 3.960 0.001 0.000 0.294 359 G C 0.733 175.494 174.900 -0.232 0.000 1.077 359 G CA 0.482 45.478 45.100 -0.173 0.000 1.098 359 G HN 0.489 nan 8.290 nan 0.000 0.511 360 K N -0.764 119.326 120.400 -0.517 0.000 2.361 360 K HA 0.245 4.566 4.320 0.001 0.000 0.196 360 K C 1.362 177.627 176.600 -0.558 0.000 1.039 360 K CA 0.847 56.774 56.287 -0.601 0.000 1.001 360 K CB 0.173 32.162 32.500 -0.852 0.000 0.795 360 K HN 0.422 nan 8.250 nan 0.000 0.495 361 F N 1.036 120.985 119.950 -0.001 0.000 2.717 361 F HA 0.125 4.653 4.527 0.001 0.000 0.295 361 F C 0.203 175.999 175.800 -0.006 0.000 1.117 361 F CA -0.988 57.009 58.000 -0.005 0.000 1.361 361 F CB -0.930 38.061 39.000 -0.015 0.000 1.112 361 F HN 0.080 nan 8.300 nan 0.000 0.594 362 N N 1.000 119.769 118.700 0.116 0.000 2.641 362 N HA -0.229 4.512 4.740 0.001 0.000 0.267 362 N C -1.208 174.342 175.510 0.067 0.000 1.087 362 N CA 0.014 53.111 53.050 0.079 0.000 0.731 362 N CB -1.163 37.371 38.487 0.079 0.000 0.886 362 N HN 0.108 nan 8.380 nan 0.000 0.547 363 L N 1.830 123.075 121.223 0.036 0.000 2.343 363 L HA 0.699 5.040 4.340 0.001 0.000 0.275 363 L C -1.275 175.494 176.870 -0.168 0.000 1.056 363 L CA -1.716 53.102 54.840 -0.035 0.000 0.804 363 L CB 0.860 42.935 42.059 0.027 0.000 1.203 363 L HN 0.373 nan 8.230 nan 0.000 0.440 364 P HA 0.384 nan 4.420 nan 0.000 0.302 364 P C -2.760 174.136 177.300 -0.674 0.000 1.307 364 P CA -1.550 61.068 63.100 -0.803 0.000 0.754 364 P CB 0.037 31.005 31.700 -1.221 0.000 1.298 365 P HA 0.137 nan 4.420 nan 0.000 0.272 365 P C 0.154 177.438 177.300 -0.027 0.000 1.248 365 P CA 0.488 63.346 63.100 -0.402 0.000 0.799 365 P CB -0.152 31.244 31.700 -0.507 0.000 0.997 366 G N -1.226 107.616 108.800 0.070 0.000 2.568 366 G HA2 0.350 4.311 3.960 0.001 0.000 0.313 366 G HA3 0.350 4.311 3.960 0.001 0.000 0.313 366 G C 0.927 176.035 174.900 0.346 0.000 1.227 366 G CA -0.454 44.815 45.100 0.282 0.000 0.979 366 G HN 0.452 nan 8.290 nan 0.000 0.486 367 V N 0.284 120.387 119.914 0.314 0.000 2.428 367 V HA -0.230 3.890 4.120 0.001 0.000 0.255 367 V C 2.268 178.425 176.094 0.105 0.000 1.080 367 V CA 2.864 65.211 62.300 0.078 0.000 1.083 367 V CB -0.486 31.348 31.823 0.018 0.000 0.665 367 V HN 0.575 nan 8.190 nan 0.000 0.461 368 M N 1.199 120.851 119.600 0.086 0.000 2.619 368 M HA 0.100 4.581 4.480 0.001 0.000 0.251 368 M C 1.231 177.597 176.300 0.109 0.000 1.106 368 M CA 1.234 56.580 55.300 0.076 0.000 1.086 368 M CB -0.436 32.140 32.600 -0.041 0.000 1.465 368 M HN 0.730 nan 8.290 nan 0.000 0.506 369 E N -0.875 119.315 120.200 -0.016 0.000 2.542 369 E HA 0.192 4.543 4.350 0.001 0.000 0.224 369 E C -0.783 175.721 176.600 -0.159 0.000 1.110 369 E CA -0.163 56.096 56.400 -0.235 0.000 1.350 369 E CB -0.060 29.464 29.700 -0.293 0.000 1.302 369 E HN 0.303 nan 8.360 nan 0.000 0.435 370 H N -0.567 118.590 119.070 0.146 0.000 3.123 370 H HA 0.095 4.651 4.556 0.001 0.000 0.346 370 H C -0.367 175.007 175.328 0.076 0.000 1.138 370 H CA -0.982 55.117 56.048 0.086 0.000 1.273 370 H CB 0.809 30.623 29.762 0.087 0.000 1.926 370 H HN 0.030 nan 8.280 nan 0.000 0.524 371 F N 1.036 121.096 119.950 0.184 0.000 2.367 371 F HA -0.065 4.463 4.527 0.001 0.000 0.298 371 F C 2.342 178.069 175.800 -0.122 0.000 1.094 371 F CA 0.739 58.712 58.000 -0.046 0.000 1.409 371 F CB 0.118 39.000 39.000 -0.196 0.000 1.064 371 F HN 0.555 nan 8.300 nan 0.000 0.528 372 E N -1.347 118.878 120.200 0.042 0.000 2.512 372 E HA -0.026 4.325 4.350 0.001 0.000 0.195 372 E C 0.655 176.976 176.600 -0.466 0.000 1.083 372 E CA 0.835 57.037 56.400 -0.329 0.000 0.873 372 E CB -0.387 29.033 29.700 -0.467 0.000 0.897 372 E HN 0.221 nan 8.360 nan 0.000 0.514 373 T N -0.668 113.775 114.554 -0.184 0.000 3.326 373 T HA 0.344 4.695 4.350 0.001 0.000 0.302 373 T C 1.065 175.681 174.700 -0.140 0.000 0.908 373 T CA 0.314 62.274 62.100 -0.234 0.000 0.933 373 T CB 0.593 69.259 68.868 -0.337 0.000 1.194 373 T HN 0.274 nan 8.240 nan 0.000 0.585 374 A N 0.445 123.222 122.820 -0.072 0.000 1.970 374 A HA 0.076 4.397 4.320 0.001 0.000 0.216 374 A C 2.209 179.542 177.584 -0.418 0.000 1.170 374 A CA 1.469 53.442 52.037 -0.107 0.000 0.645 374 A CB -0.831 18.284 19.000 0.192 0.000 0.816 374 A HN 0.364 nan 8.150 nan 0.000 0.447 375 T N -0.537 113.632 114.554 -0.643 0.000 2.946 375 T HA -0.126 4.225 4.350 0.001 0.000 0.271 375 T C 2.001 176.575 174.700 -0.211 0.000 1.104 375 T CA 1.611 63.286 62.100 -0.708 0.000 1.114 375 T CB -0.287 68.311 68.868 -0.449 0.000 0.867 375 T HN 0.462 nan 8.240 nan 0.000 0.513 376 R N 1.188 121.593 120.500 -0.158 0.000 2.057 376 R HA 0.036 4.377 4.340 0.001 0.000 0.229 376 R C 0.810 177.134 176.300 0.039 0.000 1.136 376 R CA 0.790 56.918 56.100 0.046 0.000 0.952 376 R CB -0.195 30.215 30.300 0.184 0.000 0.848 376 R HN 0.274 nan 8.270 nan 0.000 0.430 377 D N -0.228 119.976 120.400 -0.328 0.000 2.390 377 D HA 0.028 4.669 4.640 0.001 0.000 0.249 377 D C -1.735 174.199 176.300 -0.609 0.000 1.144 377 D CA -1.957 51.305 54.000 -1.229 0.000 0.880 377 D CB 1.227 41.542 40.800 -0.808 0.000 1.182 377 D HN -0.146 nan 8.370 nan 0.000 0.451 378 P HA -0.183 nan 4.420 nan 0.000 0.216 378 P C 1.126 178.361 177.300 -0.110 0.000 1.153 378 P CA 1.467 64.464 63.100 -0.172 0.000 0.858 378 P CB -0.106 31.527 31.700 -0.112 0.000 0.789 379 S N -1.878 113.691 115.700 -0.218 0.000 2.547 379 S HA -0.140 4.330 4.470 0.001 0.000 0.235 379 S C 1.755 176.225 174.600 -0.218 0.000 0.980 379 S CA 0.169 58.252 58.200 -0.196 0.000 0.941 379 S CB -1.684 61.375 63.200 -0.234 0.000 0.763 379 S HN 0.043 nan 8.310 nan 0.000 0.532 380 F N 2.126 121.877 119.950 -0.331 0.000 2.095 380 F HA -0.034 4.494 4.527 0.001 0.000 0.298 380 F C 1.520 177.081 175.800 -0.398 0.000 1.104 380 F CA 1.366 59.126 58.000 -0.400 0.000 1.232 380 F CB -0.505 38.132 39.000 -0.605 0.000 0.987 380 F HN 0.219 nan 8.300 nan 0.000 0.475 381 F N 0.050 119.875 119.950 -0.209 0.000 2.325 381 F HA 0.030 4.558 4.527 0.001 0.000 0.299 381 F C 2.512 178.210 175.800 -0.171 0.000 1.090 381 F CA 1.030 58.865 58.000 -0.275 0.000 1.392 381 F CB -0.701 38.007 39.000 -0.486 0.000 1.053 381 F HN -0.178 nan 8.300 nan 0.000 0.521 382 R N 0.251 120.713 120.500 -0.064 0.000 2.062 382 R HA -0.128 4.212 4.340 0.001 0.000 0.231 382 R C 2.183 178.365 176.300 -0.197 0.000 1.136 382 R CA 1.228 57.267 56.100 -0.102 0.000 0.948 382 R CB -0.769 29.450 30.300 -0.135 0.000 0.845 382 R HN 0.262 nan 8.270 nan 0.000 0.430 383 L N -0.178 120.850 121.223 -0.324 0.000 2.131 383 L HA -0.152 4.189 4.340 0.001 0.000 0.210 383 L C 1.313 177.949 176.870 -0.390 0.000 1.092 383 L CA 1.964 56.542 54.840 -0.436 0.000 0.759 383 L CB -0.269 41.469 42.059 -0.535 0.000 0.903 383 L HN 0.254 nan 8.230 nan 0.000 0.435 384 H N -1.305 117.564 119.070 -0.335 0.000 2.548 384 H HA 0.020 4.577 4.556 0.001 0.000 0.268 384 H C 2.054 177.379 175.328 -0.006 0.000 0.975 384 H CA 0.910 56.832 56.048 -0.210 0.000 1.195 384 H CB 0.205 29.683 29.762 -0.472 0.000 1.397 384 H HN 0.343 nan 8.280 nan 0.000 0.572 385 K N -0.110 120.341 120.400 0.084 0.000 2.007 385 K HA -0.171 4.149 4.320 0.001 0.000 0.206 385 K C 1.760 178.445 176.600 0.141 0.000 1.047 385 K CA 1.029 57.400 56.287 0.140 0.000 0.937 385 K CB -0.151 32.424 32.500 0.124 0.000 0.718 385 K HN 0.241 nan 8.250 nan 0.000 0.438 386 Y N 1.555 121.804 120.300 -0.085 0.000 2.014 386 Y HA -0.334 4.216 4.550 0.001 0.000 0.270 386 Y C 2.077 177.944 175.900 -0.056 0.000 1.145 386 Y CA 2.394 60.433 58.100 -0.102 0.000 1.106 386 Y CB -0.317 38.029 38.460 -0.191 0.000 0.968 386 Y HN 0.031 nan 8.280 nan 0.000 0.484 387 M N -0.170 119.525 119.600 0.159 0.000 2.106 387 M HA -0.262 4.219 4.480 0.001 0.000 0.259 387 M C 1.890 178.253 176.300 0.105 0.000 1.068 387 M CA 2.092 57.392 55.300 0.000 0.000 1.100 387 M CB -0.692 31.985 32.600 0.128 0.000 1.351 387 M HN 0.339 nan 8.290 nan 0.000 0.404 388 D N 1.056 121.601 120.400 0.243 0.000 2.103 388 D HA -0.163 4.477 4.640 0.001 0.000 0.190 388 D C 1.064 177.557 176.300 0.322 0.000 0.997 388 D CA 1.543 55.799 54.000 0.426 0.000 0.833 388 D CB -0.343 40.734 40.800 0.461 0.000 0.961 388 D HN 0.452 nan 8.370 nan 0.000 0.447 389 N N -0.333 118.442 118.700 0.124 0.000 2.626 389 N HA -0.049 4.691 4.740 0.001 0.000 0.193 389 N C 1.055 176.486 175.510 -0.131 0.000 1.213 389 N CA -0.199 52.833 53.050 -0.030 0.000 0.914 389 N CB 0.340 38.786 38.487 -0.068 0.000 0.994 389 N HN 0.261 nan 8.380 nan 0.000 0.447 390 I N -0.290 120.146 120.570 -0.224 0.000 2.429 390 I HA -0.076 4.094 4.170 0.001 0.000 0.247 390 I C 1.472 177.383 176.117 -0.342 0.000 1.099 390 I CA 0.992 62.019 61.300 -0.455 0.000 1.422 390 I CB -0.913 36.650 38.000 -0.730 0.000 1.112 390 I HN 0.067 nan 8.210 nan 0.000 0.430 391 F N 1.543 121.412 119.950 -0.136 0.000 2.084 391 F HA -0.113 4.415 4.527 0.001 0.000 0.296 391 F C 2.585 178.254 175.800 -0.218 0.000 1.111 391 F CA 1.286 59.187 58.000 -0.164 0.000 1.224 391 F CB -0.900 38.008 39.000 -0.153 0.000 0.991 391 F HN -0.042 nan 8.300 nan 0.000 0.471 392 K N 0.737 121.115 120.400 -0.036 0.000 2.189 392 K HA -0.258 4.062 4.320 0.001 0.000 0.207 392 K C 2.028 178.399 176.600 -0.382 0.000 1.046 392 K CA 1.545 57.555 56.287 -0.462 0.000 0.928 392 K CB -0.116 31.994 32.500 -0.649 0.000 0.720 392 K HN 0.186 nan 8.250 nan 0.000 0.458 393 K N -0.918 119.335 120.400 -0.246 0.000 2.097 393 K HA -0.206 4.115 4.320 0.001 0.000 0.206 393 K C 2.086 178.546 176.600 -0.235 0.000 1.049 393 K CA 1.746 57.903 56.287 -0.216 0.000 0.933 393 K CB -0.186 32.235 32.500 -0.132 0.000 0.717 393 K HN 0.375 nan 8.250 nan 0.000 0.442 394 H N -0.011 118.872 119.070 -0.311 0.000 2.343 394 H HA -0.008 4.549 4.556 0.001 0.000 0.303 394 H C 2.081 177.065 175.328 -0.573 0.000 1.068 394 H CA 1.805 57.625 56.048 -0.380 0.000 1.359 394 H CB -0.118 29.481 29.762 -0.272 0.000 1.402 394 H HN -0.075 nan 8.280 nan 0.000 0.515 395 T N -0.187 114.124 114.554 -0.405 0.000 2.685 395 T HA -0.181 4.169 4.350 0.001 0.000 0.268 395 T C 1.067 175.457 174.700 -0.516 0.000 1.034 395 T CA 2.024 63.879 62.100 -0.409 0.000 1.149 395 T CB -0.502 68.224 68.868 -0.238 0.000 0.860 395 T HN 0.393 nan 8.240 nan 0.000 0.449 396 D N 0.109 120.219 120.400 -0.482 0.000 2.336 396 D HA 0.086 4.726 4.640 0.001 0.000 0.229 396 D C 1.770 177.841 176.300 -0.382 0.000 1.061 396 D CA 0.234 53.997 54.000 -0.395 0.000 0.875 396 D CB -0.011 40.561 40.800 -0.379 0.000 0.904 396 D HN 0.473 nan 8.370 nan 0.000 0.525 397 S N -0.881 114.485 115.700 -0.555 0.000 2.556 397 S HA 0.131 4.601 4.470 0.001 0.000 0.216 397 S C 0.380 174.843 174.600 -0.228 0.000 0.970 397 S CA -0.534 57.424 58.200 -0.403 0.000 0.912 397 S CB -0.147 62.748 63.200 -0.509 0.000 0.790 397 S HN -0.137 nan 8.310 nan 0.000 0.504 398 F N 3.244 123.053 119.950 -0.235 0.000 2.378 398 F HA 0.608 5.136 4.527 0.001 0.000 0.325 398 F C -2.246 173.432 175.800 -0.204 0.000 1.097 398 F CA -3.360 54.511 58.000 -0.214 0.000 1.079 398 F CB -0.057 38.806 39.000 -0.228 0.000 1.240 398 F HN -0.050 nan 8.300 nan 0.000 0.519 399 P HA 0.191 nan 4.420 nan 0.000 0.271 399 P C -2.632 174.602 177.300 -0.110 0.000 1.216 399 P CA -1.163 61.916 63.100 -0.035 0.000 0.776 399 P CB 0.036 31.721 31.700 -0.025 0.000 0.881 400 P HA 0.059 nan 4.420 nan 0.000 0.272 400 P C -0.666 176.579 177.300 -0.093 0.000 1.248 400 P CA 0.281 63.307 63.100 -0.125 0.000 0.799 400 P CB 0.113 31.780 31.700 -0.054 0.000 0.997 401 Y N -1.247 119.049 120.300 -0.006 0.000 2.352 401 Y HA 0.356 4.906 4.550 0.001 0.000 0.326 401 Y C 1.590 177.496 175.900 0.009 0.000 1.166 401 Y CA -0.297 57.800 58.100 -0.005 0.000 1.182 401 Y CB 0.368 38.803 38.460 -0.042 0.000 1.216 401 Y HN 0.314 nan 8.280 nan 0.000 0.474 402 T N -2.038 112.638 114.554 0.204 0.000 2.814 402 T HA 0.080 4.430 4.350 0.001 0.000 0.284 402 T C 1.180 175.965 174.700 0.142 0.000 0.998 402 T CA -0.121 62.066 62.100 0.144 0.000 0.935 402 T CB 0.673 69.616 68.868 0.125 0.000 1.167 402 T HN 0.831 nan 8.240 nan 0.000 0.545 403 H N 0.293 119.400 119.070 0.061 0.000 2.284 403 H HA -0.045 4.512 4.556 0.001 0.000 0.304 403 H C 1.245 176.603 175.328 0.049 0.000 1.069 403 H CA 2.249 58.328 56.048 0.051 0.000 1.327 403 H CB -0.603 29.185 29.762 0.043 0.000 1.387 403 H HN 0.734 nan 8.280 nan 0.000 0.498 404 D N -0.080 120.485 120.400 0.275 0.000 2.411 404 D HA -0.088 4.552 4.640 0.001 0.000 0.226 404 D C 1.741 178.080 176.300 0.065 0.000 0.988 404 D CA 0.554 54.662 54.000 0.179 0.000 0.938 404 D CB -0.183 40.707 40.800 0.150 0.000 0.883 404 D HN 0.516 nan 8.370 nan 0.000 0.525 405 N N -0.806 117.922 118.700 0.046 0.000 2.173 405 N HA 0.008 4.749 4.740 0.001 0.000 0.184 405 N C 1.518 176.984 175.510 -0.073 0.000 1.025 405 N CA 0.405 53.465 53.050 0.016 0.000 0.852 405 N CB 0.256 38.802 38.487 0.098 0.000 0.998 405 N HN 0.093 nan 8.380 nan 0.000 0.427 406 L N 0.569 121.715 121.223 -0.128 0.000 2.049 406 L HA 0.021 4.362 4.340 0.001 0.000 0.203 406 L C 0.818 177.626 176.870 -0.105 0.000 1.074 406 L CA 0.500 55.252 54.840 -0.146 0.000 0.749 406 L CB -0.605 41.355 42.059 -0.165 0.000 0.907 406 L HN 0.142 nan 8.230 nan 0.000 0.439 407 E N 0.867 120.947 120.200 -0.200 0.000 2.452 407 E HA -0.094 4.257 4.350 0.001 0.000 0.261 407 E C -0.866 175.776 176.600 0.069 0.000 0.987 407 E CA 0.219 56.549 56.400 -0.116 0.000 0.926 407 E CB 0.284 29.833 29.700 -0.251 0.000 0.934 407 E HN 0.069 nan 8.360 nan 0.000 0.452 408 F N 4.373 124.284 119.950 -0.066 0.000 2.564 408 F HA 0.352 4.880 4.527 0.001 0.000 0.368 408 F C -0.348 175.438 175.800 -0.023 0.000 1.127 408 F CA -0.741 57.234 58.000 -0.042 0.000 1.170 408 F CB 0.522 39.491 39.000 -0.052 0.000 1.397 408 F HN 0.266 nan 8.300 nan 0.000 0.493 409 S N 3.466 119.180 115.700 0.023 0.000 2.561 409 S HA 0.403 4.874 4.470 0.001 0.000 0.294 409 S C 0.947 175.411 174.600 -0.226 0.000 1.294 409 S CA 1.592 59.758 58.200 -0.058 0.000 1.055 409 S CB -0.046 63.154 63.200 -0.000 0.000 0.819 409 S HN 1.530 nan 8.310 nan 0.000 0.503 410 G N 4.358 113.061 108.800 -0.161 0.000 3.692 410 G HA2 -0.265 3.696 3.960 0.001 0.000 0.265 410 G HA3 -0.265 3.696 3.960 0.001 0.000 0.265 410 G C 0.058 174.810 174.900 -0.247 0.000 1.733 410 G CA -0.043 44.935 45.100 -0.203 0.000 1.144 410 G HN 0.784 nan 8.290 nan 0.000 0.602 411 M N 1.113 120.446 119.600 -0.445 0.000 2.210 411 M HA 0.299 4.780 4.480 0.001 0.000 0.428 411 M C 0.431 176.655 176.300 -0.126 0.000 1.344 411 M CA 1.633 56.746 55.300 -0.313 0.000 0.770 411 M CB 0.121 32.361 32.600 -0.600 0.000 1.960 411 M HN 1.782 nan 8.290 nan 0.000 0.521 412 V N 4.257 124.143 119.914 -0.046 0.000 2.697 412 V HA 0.594 4.714 4.120 0.001 0.000 0.300 412 V C -0.964 175.147 176.094 0.027 0.000 1.115 412 V CA -1.024 61.273 62.300 -0.005 0.000 0.912 412 V CB 1.904 33.725 31.823 -0.003 0.000 1.024 412 V HN 0.467 nan 8.190 nan 0.000 0.431 413 V N 6.602 126.540 119.914 0.041 0.000 2.470 413 V HA 0.303 4.424 4.120 0.001 0.000 0.276 413 V C 1.121 177.239 176.094 0.041 0.000 1.040 413 V CA 0.180 62.516 62.300 0.061 0.000 1.008 413 V CB 0.853 32.723 31.823 0.079 0.000 0.990 413 V HN 1.024 nan 8.190 nan 0.000 0.477 414 N N 3.590 122.318 118.700 0.046 0.000 2.240 414 N HA 0.145 4.885 4.740 0.001 0.000 0.187 414 N C 0.569 176.100 175.510 0.035 0.000 1.042 414 N CA 1.143 54.214 53.050 0.035 0.000 0.861 414 N CB 0.343 38.851 38.487 0.036 0.000 1.026 414 N HN 0.729 nan 8.380 nan 0.000 0.441 415 G N -0.327 108.502 108.800 0.048 0.000 2.690 415 G HA2 0.505 4.465 3.960 0.001 0.000 0.291 415 G HA3 0.505 4.465 3.960 0.001 0.000 0.291 415 G C -1.689 173.248 174.900 0.062 0.000 1.403 415 G CA -0.367 44.757 45.100 0.040 0.000 0.864 415 G HN 0.105 nan 8.290 nan 0.000 0.480 416 V N -0.922 119.026 119.914 0.057 0.000 2.569 416 V HA 0.904 5.024 4.120 0.001 0.000 0.301 416 V C -0.464 175.685 176.094 0.092 0.000 1.044 416 V CA -0.233 62.119 62.300 0.087 0.000 0.874 416 V CB 1.097 32.969 31.823 0.083 0.000 1.002 416 V HN 1.864 nan 8.190 nan 0.000 0.424 417 A N 6.448 129.342 122.820 0.123 0.000 2.343 417 A HA 0.907 5.228 4.320 0.001 0.000 0.308 417 A C -1.142 176.540 177.584 0.164 0.000 1.092 417 A CA -0.561 51.550 52.037 0.123 0.000 0.751 417 A CB 1.401 20.463 19.000 0.103 0.000 1.203 417 A HN 0.952 nan 8.150 nan 0.000 0.452 418 I N 1.693 122.339 120.570 0.127 0.000 2.339 418 I HA 0.257 4.427 4.170 0.001 0.000 0.290 418 I C -0.378 175.782 176.117 0.071 0.000 0.994 418 I CA -0.063 61.307 61.300 0.116 0.000 1.191 418 I CB 1.642 39.682 38.000 0.065 0.000 1.343 418 I HN 0.679 nan 8.210 nan 0.000 0.458 419 D N 5.371 125.814 120.400 0.071 0.000 2.499 419 D HA 0.618 5.258 4.640 0.001 0.000 0.225 419 D C 0.311 176.645 176.300 0.055 0.000 1.124 419 D CA 0.414 54.442 54.000 0.047 0.000 0.938 419 D CB 0.096 40.914 40.800 0.030 0.000 1.014 419 D HN 0.727 nan 8.370 nan 0.000 0.517 420 G N 2.091 110.922 108.800 0.052 0.000 2.384 420 G HA2 0.057 4.018 3.960 0.001 0.000 0.150 420 G HA3 0.057 4.018 3.960 0.001 0.000 0.150 420 G C -1.361 173.563 174.900 0.040 0.000 1.269 420 G CA -0.752 44.387 45.100 0.064 0.000 1.094 420 G HN 0.242 nan 8.290 nan 0.000 0.467 421 E N -0.418 119.803 120.200 0.035 0.000 2.372 421 E HA 0.499 4.849 4.350 0.001 0.000 0.279 421 E C -1.180 175.366 176.600 -0.090 0.000 0.946 421 E CA -0.600 55.787 56.400 -0.022 0.000 0.769 421 E CB 2.216 31.916 29.700 -0.001 0.000 1.230 421 E HN 0.509 nan 8.360 nan 0.000 0.442 422 L N 3.081 124.205 121.223 -0.166 0.000 2.276 422 L HA 0.614 4.955 4.340 0.001 0.000 0.286 422 L C -0.076 176.700 176.870 -0.157 0.000 1.024 422 L CA -0.607 54.073 54.840 -0.267 0.000 0.826 422 L CB 0.765 42.573 42.059 -0.418 0.000 1.211 422 L HN 0.380 nan 8.230 nan 0.000 0.422 423 I N 2.929 123.431 120.570 -0.114 0.000 2.607 423 I HA 0.479 4.650 4.170 0.001 0.000 0.290 423 I C -0.201 175.863 176.117 -0.089 0.000 1.129 423 I CA 0.137 61.354 61.300 -0.138 0.000 1.042 423 I CB 2.352 40.229 38.000 -0.204 0.000 1.242 423 I HN 0.637 nan 8.210 nan 0.000 0.421 424 T N 4.205 118.699 114.554 -0.100 0.000 2.888 424 T HA 0.805 5.156 4.350 0.001 0.000 0.284 424 T C -0.474 174.158 174.700 -0.113 0.000 1.017 424 T CA -0.471 61.488 62.100 -0.236 0.000 1.022 424 T CB 1.569 70.256 68.868 -0.302 0.000 1.013 424 T HN 0.507 nan 8.240 nan 0.000 0.465 425 F N -1.090 118.810 119.950 -0.084 0.000 3.168 425 F HA 0.849 5.377 4.527 0.001 0.000 0.330 425 F C -1.963 173.709 175.800 -0.213 0.000 1.220 425 F CA -2.573 55.398 58.000 -0.048 0.000 0.960 425 F CB 0.742 39.742 39.000 -0.000 0.000 1.501 425 F HN 0.431 nan 8.300 nan 0.000 0.521 426 F N 1.875 122.128 119.950 0.504 0.000 2.430 426 F HA 0.386 4.914 4.527 0.001 0.000 0.362 426 F C 0.319 176.310 175.800 0.317 0.000 1.103 426 F CA -0.742 57.417 58.000 0.266 0.000 1.045 426 F CB 0.407 39.425 39.000 0.031 0.000 1.276 426 F HN 0.408 nan 8.300 nan 0.000 0.444 427 D N 1.823 122.550 120.400 0.545 0.000 2.223 427 D HA 0.092 4.733 4.640 0.001 0.000 0.250 427 D C -0.340 176.219 176.300 0.431 0.000 1.287 427 D CA 0.516 54.780 54.000 0.441 0.000 0.977 427 D CB 0.518 41.543 40.800 0.374 0.000 1.177 427 D HN 0.562 nan 8.370 nan 0.000 0.536 428 E N -1.052 119.368 120.200 0.367 0.000 2.321 428 E HA 0.396 4.747 4.350 0.001 0.000 0.278 428 E C -1.655 175.158 176.600 0.355 0.000 0.902 428 E CA -0.595 56.010 56.400 0.343 0.000 0.758 428 E CB 1.614 31.449 29.700 0.226 0.000 1.213 428 E HN 0.217 nan 8.360 nan 0.000 0.426 429 F N 1.619 121.640 119.950 0.119 0.000 2.620 429 F HA 0.511 5.039 4.527 0.001 0.000 0.320 429 F C -1.306 174.549 175.800 0.093 0.000 1.069 429 F CA -0.324 57.741 58.000 0.109 0.000 0.953 429 F CB 2.100 41.175 39.000 0.125 0.000 1.322 429 F HN 0.358 nan 8.300 nan 0.000 0.479 430 Q N 2.751 122.219 119.800 -0.553 0.000 2.305 430 Q HA 0.351 4.691 4.340 0.001 0.000 0.271 430 Q C -1.831 174.062 176.000 -0.178 0.000 1.046 430 Q CA -0.888 54.762 55.803 -0.256 0.000 0.798 430 Q CB 2.829 31.423 28.738 -0.239 0.000 1.286 430 Q HN 0.629 nan 8.270 nan 0.000 0.435 431 Y N -1.120 119.176 120.300 -0.007 0.000 2.659 431 Y HA 0.792 5.342 4.550 0.001 0.000 0.333 431 Y C -0.627 175.328 175.900 0.092 0.000 1.064 431 Y CA -1.361 56.822 58.100 0.139 0.000 1.141 431 Y CB 1.553 40.279 38.460 0.443 0.000 1.316 431 Y HN 0.370 nan 8.280 nan 0.000 0.509 432 S N 1.129 116.903 115.700 0.122 0.000 2.456 432 S HA 0.392 4.863 4.470 0.001 0.000 0.316 432 S C 0.083 174.756 174.600 0.121 0.000 1.089 432 S CA -0.808 57.421 58.200 0.047 0.000 1.101 432 S CB 0.055 63.311 63.200 0.093 0.000 0.995 432 S HN 0.772 nan 8.310 nan 0.000 0.468 433 L N 5.992 127.241 121.223 0.044 0.000 2.821 433 L HA 0.095 4.436 4.340 0.001 0.000 0.254 433 L C 1.361 178.328 176.870 0.160 0.000 1.151 433 L CA 0.271 55.178 54.840 0.111 0.000 0.937 433 L CB -0.558 41.548 42.059 0.078 0.000 1.141 433 L HN 0.745 nan 8.230 nan 0.000 0.425 434 I N -0.484 120.188 120.570 0.170 0.000 2.333 434 I HA -0.203 3.968 4.170 0.001 0.000 0.246 434 I C 1.651 177.913 176.117 0.242 0.000 1.106 434 I CA 0.917 62.328 61.300 0.185 0.000 1.411 434 I CB -0.125 37.968 38.000 0.154 0.000 1.082 434 I HN 0.326 nan 8.210 nan 0.000 0.420 435 N N 1.081 119.952 118.700 0.284 0.000 2.635 435 N HA -0.076 4.665 4.740 0.001 0.000 0.191 435 N C 1.558 177.339 175.510 0.451 0.000 1.155 435 N CA 0.882 54.142 53.050 0.350 0.000 0.927 435 N CB -0.021 38.662 38.487 0.328 0.000 0.976 435 N HN 0.338 nan 8.380 nan 0.000 0.448 436 A N -0.173 122.865 122.820 0.365 0.000 1.930 436 A HA 0.047 4.368 4.320 0.001 0.000 0.215 436 A C 0.905 178.733 177.584 0.408 0.000 1.176 436 A CA 0.500 52.762 52.037 0.375 0.000 0.632 436 A CB -0.329 18.813 19.000 0.237 0.000 0.819 436 A HN 0.135 nan 8.150 nan 0.000 0.445 437 V N 0.710 120.824 119.914 0.334 0.000 2.498 437 V HA 0.509 4.629 4.120 0.001 0.000 0.279 437 V C -1.272 174.896 176.094 0.123 0.000 1.048 437 V CA -0.951 61.492 62.300 0.237 0.000 0.967 437 V CB 0.707 32.670 31.823 0.234 0.000 0.988 437 V HN 0.448 nan 8.190 nan 0.000 0.473 438 D N 4.060 124.470 120.400 0.016 0.000 2.256 438 D HA 0.556 5.197 4.640 0.001 0.000 0.250 438 D C -0.222 176.111 176.300 0.054 0.000 1.093 438 D CA -0.230 53.812 54.000 0.070 0.000 0.882 438 D CB 1.581 42.423 40.800 0.069 0.000 1.185 438 D HN 0.669 nan 8.370 nan 0.000 0.437 439 S N 0.522 116.266 115.700 0.074 0.000 2.614 439 S HA 0.620 5.091 4.470 0.001 0.000 0.288 439 S C 0.608 175.238 174.600 0.050 0.000 1.137 439 S CA -0.546 57.685 58.200 0.051 0.000 0.992 439 S CB 1.212 64.449 63.200 0.061 0.000 1.026 439 S HN 0.571 nan 8.310 nan 0.000 0.486 440 G N 3.040 111.861 108.800 0.035 0.000 2.670 440 G HA2 0.390 4.351 3.960 0.001 0.000 0.219 440 G HA3 0.390 4.351 3.960 0.001 0.000 0.219 440 G C -0.482 174.428 174.900 0.017 0.000 1.342 440 G CA 0.169 45.288 45.100 0.032 0.000 0.902 440 G HN 0.638 nan 8.290 nan 0.000 0.553 441 E N -0.816 119.389 120.200 0.007 0.000 2.343 441 E HA 0.348 4.698 4.350 0.001 0.000 0.278 441 E C -0.593 176.005 176.600 -0.004 0.000 0.910 441 E CA -0.755 55.642 56.400 -0.004 0.000 0.757 441 E CB 1.843 31.538 29.700 -0.009 0.000 1.218 441 E HN 0.335 nan 8.360 nan 0.000 0.435 442 N N 0.562 119.256 118.700 -0.009 0.000 2.863 442 N HA -0.227 4.514 4.740 0.001 0.000 0.245 442 N C -0.470 175.037 175.510 -0.005 0.000 1.001 442 N CA 0.650 53.694 53.050 -0.009 0.000 0.901 442 N CB -0.592 37.890 38.487 -0.009 0.000 1.124 442 N HN 0.375 nan 8.380 nan 0.000 0.582 443 I N 2.225 122.794 120.570 -0.001 0.000 2.330 443 I HA 0.188 4.359 4.170 0.001 0.000 0.289 443 I C 0.279 176.399 176.117 0.005 0.000 1.001 443 I CA -0.646 60.657 61.300 0.004 0.000 1.193 443 I CB 0.873 38.878 38.000 0.008 0.000 1.345 443 I HN 0.040 nan 8.210 nan 0.000 0.461 444 E N 5.064 125.266 120.200 0.004 0.000 2.232 444 E HA 0.359 4.710 4.350 0.001 0.000 0.264 444 E C -1.074 175.533 176.600 0.011 0.000 0.973 444 E CA -0.982 55.419 56.400 0.003 0.000 0.849 444 E CB 0.869 30.566 29.700 -0.005 0.000 1.198 444 E HN 0.409 nan 8.360 nan 0.000 0.407 445 D N 1.277 121.684 120.400 0.011 0.000 2.434 445 D HA 0.034 4.674 4.640 0.001 0.000 0.252 445 D C -0.883 175.426 176.300 0.016 0.000 1.185 445 D CA 0.231 54.244 54.000 0.021 0.000 0.886 445 D CB 1.356 42.167 40.800 0.018 0.000 1.148 445 D HN 0.224 nan 8.370 nan 0.000 0.483 446 V N 3.715 123.644 119.914 0.025 0.000 2.398 446 V HA 0.118 4.239 4.120 0.001 0.000 0.286 446 V C 0.035 176.141 176.094 0.020 0.000 1.026 446 V CA -0.772 61.539 62.300 0.019 0.000 0.868 446 V CB 1.588 33.429 31.823 0.031 0.000 0.982 446 V HN 0.446 nan 8.190 nan 0.000 0.443 447 E N 6.362 126.560 120.200 -0.004 0.000 2.029 447 E HA 0.254 4.605 4.350 0.001 0.000 0.276 447 E C -0.718 175.859 176.600 -0.038 0.000 1.163 447 E CA -0.194 56.196 56.400 -0.016 0.000 0.909 447 E CB 0.432 30.111 29.700 -0.035 0.000 1.046 447 E HN 0.707 nan 8.360 nan 0.000 0.406 448 I N 4.487 125.050 120.570 -0.012 0.000 2.392 448 I HA 0.254 4.425 4.170 0.001 0.000 0.295 448 I C 0.206 176.260 176.117 -0.105 0.000 0.985 448 I CA -0.285 60.983 61.300 -0.054 0.000 1.221 448 I CB 1.465 39.511 38.000 0.075 0.000 1.366 448 I HN 0.508 nan 8.210 nan 0.000 0.467 449 N N 3.137 121.697 118.700 -0.234 0.000 2.509 449 N HA 0.818 5.559 4.740 0.001 0.000 0.280 449 N C -1.387 173.971 175.510 -0.254 0.000 1.306 449 N CA -0.922 51.997 53.050 -0.219 0.000 0.782 449 N CB 2.074 40.431 38.487 -0.216 0.000 1.493 449 N HN 0.550 nan 8.380 nan 0.000 0.498 450 A N 0.854 123.468 122.820 -0.344 0.000 2.343 450 A HA 0.589 4.910 4.320 0.001 0.000 0.316 450 A C -0.793 176.590 177.584 -0.334 0.000 1.104 450 A CA -0.456 51.365 52.037 -0.359 0.000 0.768 450 A CB 0.945 19.589 19.000 -0.593 0.000 1.213 450 A HN 0.710 nan 8.150 nan 0.000 0.456 451 R N 1.897 122.301 120.500 -0.160 0.000 2.439 451 R HA 0.612 4.953 4.340 0.001 0.000 0.310 451 R C -1.060 175.206 176.300 -0.056 0.000 0.955 451 R CA -0.385 55.654 56.100 -0.103 0.000 0.853 451 R CB 1.458 31.684 30.300 -0.123 0.000 1.171 451 R HN 0.890 nan 8.270 nan 0.000 0.449 452 V N 0.797 120.754 119.914 0.072 0.000 2.815 452 V HA 0.480 4.600 4.120 0.001 0.000 0.314 452 V C -0.741 175.447 176.094 0.156 0.000 1.064 452 V CA -0.723 61.639 62.300 0.104 0.000 0.952 452 V CB 1.775 33.744 31.823 0.243 0.000 1.020 452 V HN 0.890 nan 8.190 nan 0.000 0.439 453 H N 4.462 123.559 119.070 0.045 0.000 2.741 453 H HA 0.506 5.063 4.556 0.001 0.000 0.282 453 H C -0.009 175.454 175.328 0.226 0.000 1.122 453 H CA -0.740 55.337 56.048 0.049 0.000 1.293 453 H CB 0.511 30.131 29.762 -0.236 0.000 1.415 453 H HN 0.694 nan 8.280 nan 0.000 0.472 454 R N 3.147 123.920 120.500 0.456 0.000 2.832 454 R HA 0.368 4.708 4.340 0.001 0.000 0.271 454 R C -0.909 175.669 176.300 0.463 0.000 0.996 454 R CA -1.210 55.140 56.100 0.417 0.000 0.977 454 R CB 1.711 32.109 30.300 0.164 0.000 1.168 454 R HN 0.240 nan 8.270 nan 0.000 0.482 455 L N 0.508 121.854 121.223 0.205 0.000 2.466 455 L HA 0.368 4.708 4.340 0.001 0.000 0.257 455 L C -0.486 176.193 176.870 -0.320 0.000 1.189 455 L CA 0.250 54.865 54.840 -0.375 0.000 0.813 455 L CB 0.664 42.444 42.059 -0.466 0.000 1.118 455 L HN 0.916 nan 8.230 nan 0.000 0.471 456 N N -1.351 116.977 118.700 -0.621 0.000 3.043 456 N HA 0.410 5.150 4.740 0.001 0.000 0.243 456 N C -1.836 173.006 175.510 -1.113 0.000 1.347 456 N CA -0.635 51.948 53.050 -0.778 0.000 0.896 456 N CB 0.880 38.925 38.487 -0.737 0.000 1.501 456 N HN 0.831 nan 8.380 nan 0.000 0.504 457 H N -0.723 117.899 119.070 -0.747 0.000 3.024 457 H HA 0.645 5.202 4.556 0.001 0.000 0.305 457 H C -1.349 173.869 175.328 -0.183 0.000 1.506 457 H CA -0.847 54.906 56.048 -0.493 0.000 1.324 457 H CB 0.741 30.370 29.762 -0.220 0.000 1.925 457 H HN 0.272 nan 8.280 nan 0.000 0.661 458 N N 0.648 119.452 118.700 0.173 0.000 2.362 458 N HA 0.128 4.869 4.740 0.001 0.000 0.298 458 N C -1.016 174.704 175.510 0.349 0.000 1.048 458 N CA -0.857 52.317 53.050 0.208 0.000 0.858 458 N CB 1.517 40.148 38.487 0.240 0.000 1.218 458 N HN 0.758 nan 8.380 nan 0.000 0.488 459 E N 1.647 121.969 120.200 0.203 0.000 2.459 459 E HA 0.054 4.405 4.350 0.001 0.000 0.264 459 E C -0.861 175.872 176.600 0.221 0.000 1.055 459 E CA 0.333 56.837 56.400 0.173 0.000 0.957 459 E CB 0.170 29.871 29.700 0.003 0.000 0.952 459 E HN 0.418 nan 8.360 nan 0.000 0.448 460 F N -1.313 118.606 119.950 -0.052 0.000 2.686 460 F HA 0.626 5.154 4.527 0.001 0.000 0.311 460 F C -0.943 174.709 175.800 -0.246 0.000 1.128 460 F CA -1.111 56.808 58.000 -0.134 0.000 0.946 460 F CB 1.906 40.805 39.000 -0.168 0.000 1.336 460 F HN 0.425 nan 8.300 nan 0.000 0.457 461 T N 0.491 114.971 114.554 -0.123 0.000 2.900 461 T HA 0.627 4.977 4.350 0.001 0.000 0.295 461 T C -1.868 172.690 174.700 -0.236 0.000 1.044 461 T CA -0.423 61.478 62.100 -0.332 0.000 0.995 461 T CB 0.774 69.512 68.868 -0.217 0.000 1.072 461 T HN 0.509 nan 8.240 nan 0.000 0.473 462 Y N 2.793 123.109 120.300 0.027 0.000 2.308 462 Y HA 0.548 5.098 4.550 0.001 0.000 0.329 462 Y C 0.753 176.674 175.900 0.036 0.000 1.111 462 Y CA -0.845 57.304 58.100 0.083 0.000 1.179 462 Y CB 1.069 39.586 38.460 0.095 0.000 1.201 462 Y HN 0.246 nan 8.280 nan 0.000 0.483 463 K N 5.044 125.568 120.400 0.206 0.000 2.527 463 K HA 0.402 4.723 4.320 0.001 0.000 0.240 463 K C -1.025 175.663 176.600 0.146 0.000 0.989 463 K CA -0.179 56.182 56.287 0.124 0.000 0.985 463 K CB 1.578 34.124 32.500 0.077 0.000 1.221 463 K HN 0.672 nan 8.250 nan 0.000 0.458 464 I N 2.836 123.488 120.570 0.138 0.000 2.291 464 I HA 0.080 4.250 4.170 0.001 0.000 0.292 464 I C -0.073 176.109 176.117 0.108 0.000 1.064 464 I CA -0.125 61.256 61.300 0.134 0.000 1.269 464 I CB 0.961 39.041 38.000 0.133 0.000 1.418 464 I HN 0.297 nan 8.210 nan 0.000 0.485 465 T N 9.123 123.734 114.554 0.096 0.000 2.744 465 T HA 0.657 5.008 4.350 0.001 0.000 0.291 465 T C -0.159 174.591 174.700 0.084 0.000 0.957 465 T CA -0.416 61.729 62.100 0.076 0.000 1.002 465 T CB 0.593 69.495 68.868 0.056 0.000 0.919 465 T HN 0.624 nan 8.240 nan 0.000 0.468 466 M N 0.927 120.579 119.600 0.085 0.000 2.389 466 M HA 0.535 5.016 4.480 0.001 0.000 0.291 466 M C -1.434 174.907 176.300 0.069 0.000 1.128 466 M CA -0.882 54.469 55.300 0.085 0.000 0.942 466 M CB 1.673 34.355 32.600 0.135 0.000 1.783 466 M HN 0.387 nan 8.290 nan 0.000 0.501 467 S N 1.894 117.618 115.700 0.040 0.000 2.509 467 S HA 0.511 4.981 4.470 0.001 0.000 0.297 467 S C -0.641 173.954 174.600 -0.009 0.000 1.118 467 S CA -0.839 57.373 58.200 0.019 0.000 1.074 467 S CB 1.628 64.833 63.200 0.008 0.000 1.038 467 S HN 0.757 nan 8.310 nan 0.000 0.498 468 N N 1.415 120.102 118.700 -0.020 0.000 2.801 468 N HA 0.198 4.938 4.740 0.001 0.000 0.235 468 N C -0.016 175.458 175.510 -0.060 0.000 1.069 468 N CA -0.202 52.809 53.050 -0.065 0.000 0.946 468 N CB 0.031 38.504 38.487 -0.024 0.000 1.212 468 N HN 0.683 nan 8.380 nan 0.000 0.509 469 N N 1.356 120.010 118.700 -0.076 0.000 2.520 469 N HA -0.030 4.711 4.740 0.001 0.000 0.185 469 N C -0.126 175.352 175.510 -0.054 0.000 1.068 469 N CA 0.406 53.425 53.050 -0.053 0.000 0.911 469 N CB 0.131 38.591 38.487 -0.046 0.000 0.961 469 N HN 0.497 nan 8.380 nan 0.000 0.446 470 N N 1.110 119.761 118.700 -0.082 0.000 2.416 470 N HA -0.090 4.651 4.740 0.001 0.000 0.246 470 N C 0.643 176.132 175.510 -0.036 0.000 1.260 470 N CA 0.364 53.372 53.050 -0.070 0.000 0.897 470 N CB 0.459 38.888 38.487 -0.097 0.000 1.110 470 N HN 0.347 nan 8.380 nan 0.000 0.439 471 D N 0.288 120.674 120.400 -0.024 0.000 2.162 471 D HA -0.074 4.566 4.640 0.001 0.000 0.203 471 D C 1.232 177.529 176.300 -0.006 0.000 0.967 471 D CA 0.466 54.459 54.000 -0.011 0.000 0.840 471 D CB -0.437 40.359 40.800 -0.007 0.000 0.972 471 D HN 0.493 nan 8.370 nan 0.000 0.482 472 G N 0.887 109.684 108.800 -0.005 0.000 2.090 472 G HA2 -0.000 3.961 3.960 0.001 0.000 0.525 472 G HA3 -0.000 3.961 3.960 0.001 0.000 0.525 472 G C -0.023 174.884 174.900 0.013 0.000 1.411 472 G CA 0.672 45.776 45.100 0.006 0.000 1.069 472 G HN 0.564 nan 8.290 nan 0.000 0.522 473 E N -2.090 118.125 120.200 0.026 0.000 2.363 473 E HA 0.585 4.936 4.350 0.001 0.000 0.281 473 E C -1.179 175.458 176.600 0.063 0.000 0.953 473 E CA -0.953 55.473 56.400 0.043 0.000 0.778 473 E CB 1.578 31.304 29.700 0.043 0.000 1.220 473 E HN 0.339 nan 8.360 nan 0.000 0.431 474 R N 2.945 123.504 120.500 0.098 0.000 2.604 474 R HA 0.387 4.727 4.340 0.001 0.000 0.270 474 R C -0.940 175.487 176.300 0.213 0.000 1.052 474 R CA -0.885 55.313 56.100 0.164 0.000 0.902 474 R CB 1.622 32.011 30.300 0.148 0.000 1.233 474 R HN 0.658 nan 8.270 nan 0.000 0.455 475 L N 1.217 122.545 121.223 0.176 0.000 2.466 475 L HA 0.580 4.921 4.340 0.001 0.000 0.257 475 L C -0.035 176.930 176.870 0.159 0.000 1.189 475 L CA 0.215 55.136 54.840 0.136 0.000 0.813 475 L CB 0.961 43.027 42.059 0.012 0.000 1.118 475 L HN 0.833 nan 8.230 nan 0.000 0.471 476 A N 0.614 123.525 122.820 0.152 0.000 2.513 476 A HA 0.564 4.885 4.320 0.001 0.000 0.296 476 A C -0.799 176.765 177.584 -0.034 0.000 1.052 476 A CA -0.583 51.448 52.037 -0.009 0.000 0.714 476 A CB 1.180 20.207 19.000 0.045 0.000 1.279 476 A HN 0.532 nan 8.150 nan 0.000 0.397 477 T N 2.180 116.612 114.554 -0.204 0.000 2.743 477 T HA 0.486 4.837 4.350 0.001 0.000 0.293 477 T C -0.659 173.678 174.700 -0.606 0.000 0.945 477 T CA 0.366 62.355 62.100 -0.185 0.000 1.030 477 T CB -0.330 68.514 68.868 -0.041 0.000 0.912 477 T HN 0.310 nan 8.240 nan 0.000 0.483 478 F N 3.531 123.153 119.950 -0.548 0.000 2.377 478 F HA 0.348 4.876 4.527 0.001 0.000 0.360 478 F C 1.203 176.606 175.800 -0.662 0.000 1.147 478 F CA -0.844 56.690 58.000 -0.777 0.000 1.170 478 F CB 0.325 38.388 39.000 -1.562 0.000 1.339 478 F HN 0.223 nan 8.300 nan 0.000 0.552 479 R N 4.643 124.959 120.500 -0.308 0.000 2.265 479 R HA 0.607 4.948 4.340 0.001 0.000 0.328 479 R C -0.856 175.318 176.300 -0.210 0.000 0.969 479 R CA -0.438 55.509 56.100 -0.256 0.000 0.832 479 R CB 1.470 31.736 30.300 -0.057 0.000 1.139 479 R HN 0.562 nan 8.270 nan 0.000 0.457 480 I N 4.702 125.047 120.570 -0.375 0.000 2.448 480 I HA 0.321 4.492 4.170 0.001 0.000 0.281 480 I C -0.860 175.060 176.117 -0.330 0.000 1.027 480 I CA -0.562 60.593 61.300 -0.241 0.000 1.111 480 I CB 0.883 38.720 38.000 -0.272 0.000 1.236 480 I HN 0.376 nan 8.210 nan 0.000 0.452 481 F N 5.951 125.974 119.950 0.122 0.000 2.470 481 F HA 0.513 5.040 4.527 0.001 0.000 0.329 481 F C -0.133 175.761 175.800 0.157 0.000 1.072 481 F CA -1.011 57.066 58.000 0.130 0.000 0.989 481 F CB 1.667 40.754 39.000 0.145 0.000 1.193 481 F HN 0.233 nan 8.300 nan 0.000 0.481 482 L N 3.683 125.073 121.223 0.279 0.000 2.313 482 L HA 0.560 4.900 4.340 0.001 0.000 0.273 482 L C -0.886 176.152 176.870 0.279 0.000 1.028 482 L CA -0.312 54.639 54.840 0.185 0.000 0.871 482 L CB -0.203 41.814 42.059 -0.069 0.000 1.242 482 L HN 0.690 nan 8.230 nan 0.000 0.434 483 c N 4.625 123.446 118.600 0.367 0.000 2.403 483 c HA 0.690 5.260 4.570 0.001 0.000 0.361 483 c C -1.958 172.398 174.090 0.442 0.000 1.274 483 c CA -0.840 55.701 56.329 0.354 0.000 2.433 483 c CB 0.699 43.360 42.510 0.252 0.000 2.323 483 c HN 0.655 nan 8.230 nan 0.000 0.614 484 P HA 0.548 nan 4.420 nan 0.000 0.283 484 P C -0.395 177.013 177.300 0.180 0.000 1.278 484 P CA -0.214 63.057 63.100 0.286 0.000 0.834 484 P CB 0.890 32.523 31.700 -0.113 0.000 1.150 485 I N -2.041 118.596 120.570 0.112 0.000 3.746 485 I HA 0.219 4.390 4.170 0.001 0.000 0.262 485 I C 1.045 177.175 176.117 0.022 0.000 1.153 485 I CA 0.866 62.204 61.300 0.063 0.000 1.395 485 I CB -0.624 37.410 38.000 0.056 0.000 1.589 485 I HN 0.227 nan 8.210 nan 0.000 0.441 486 E N 1.272 121.467 120.200 -0.008 0.000 2.302 486 E HA 0.133 4.484 4.350 0.001 0.000 0.255 486 E C -0.022 176.566 176.600 -0.021 0.000 1.099 486 E CA -0.422 55.976 56.400 -0.003 0.000 0.929 486 E CB 1.367 31.064 29.700 -0.006 0.000 1.203 486 E HN 0.114 nan 8.360 nan 0.000 0.459 487 D N 0.023 120.421 120.400 -0.003 0.000 2.216 487 D HA -0.085 4.555 4.640 0.001 0.000 0.208 487 D C 0.209 176.506 176.300 -0.006 0.000 0.960 487 D CA 0.570 54.568 54.000 -0.004 0.000 0.861 487 D CB 0.254 41.068 40.800 0.024 0.000 0.985 487 D HN 0.436 nan 8.370 nan 0.000 0.493 488 N N -0.149 118.567 118.700 0.027 0.000 3.087 488 N HA -0.137 4.604 4.740 0.001 0.000 0.246 488 N C -0.365 175.179 175.510 0.056 0.000 1.135 488 N CA 0.606 53.694 53.050 0.064 0.000 0.733 488 N CB -1.433 37.078 38.487 0.040 0.000 1.096 488 N HN 0.147 nan 8.380 nan 0.000 0.552 489 N N -1.319 117.409 118.700 0.047 0.000 2.351 489 N HA 0.158 4.899 4.740 0.001 0.000 0.327 489 N C 0.690 176.218 175.510 0.031 0.000 0.832 489 N CA 1.048 54.118 53.050 0.034 0.000 0.596 489 N CB -0.359 38.145 38.487 0.029 0.000 2.321 489 N HN 0.711 nan 8.380 nan 0.000 1.009 490 G N 1.814 110.633 108.800 0.033 0.000 2.149 490 G HA2 -0.227 3.734 3.960 0.001 0.000 0.235 490 G HA3 -0.227 3.734 3.960 0.001 0.000 0.235 490 G C 0.757 175.671 174.900 0.023 0.000 1.018 490 G CA 0.493 45.611 45.100 0.029 0.000 0.728 490 G HN 0.383 nan 8.290 nan 0.000 0.508 491 I N -0.195 120.390 120.570 0.024 0.000 3.291 491 I HA 0.110 4.281 4.170 0.001 0.000 0.279 491 I C 1.354 177.488 176.117 0.028 0.000 1.294 491 I CA 0.823 62.138 61.300 0.025 0.000 1.428 491 I CB -0.451 37.564 38.000 0.026 0.000 1.070 491 I HN 0.573 nan 8.210 nan 0.000 0.478 492 T N 2.197 116.768 114.554 0.028 0.000 1.803 492 T HA -0.118 4.233 4.350 0.001 0.000 0.613 492 T C 0.001 174.729 174.700 0.046 0.000 0.923 492 T CA -0.165 61.956 62.100 0.034 0.000 3.257 492 T CB -1.242 67.646 68.868 0.032 0.000 1.901 492 T HN 0.284 nan 8.240 nan 0.000 0.423 493 L N 4.046 125.307 121.223 0.062 0.000 2.475 493 L HA 0.627 4.968 4.340 0.001 0.000 0.212 493 L C 2.058 178.966 176.870 0.062 0.000 1.204 493 L CA 0.305 55.191 54.840 0.076 0.000 0.843 493 L CB -0.051 42.087 42.059 0.132 0.000 1.360 493 L HN 0.728 nan 8.230 nan 0.000 0.527 494 T N -2.557 112.030 114.554 0.056 0.000 3.331 494 T HA 0.335 4.685 4.350 0.001 0.000 0.282 494 T C 0.436 175.148 174.700 0.021 0.000 1.010 494 T CA -0.413 61.709 62.100 0.037 0.000 0.928 494 T CB -0.465 68.416 68.868 0.021 0.000 1.154 494 T HN 0.527 nan 8.240 nan 0.000 0.516 495 L N 0.952 122.185 121.223 0.017 0.000 3.954 495 L HA -0.308 4.033 4.340 0.001 0.000 0.462 495 L C 0.020 176.869 176.870 -0.036 0.000 1.195 495 L CA 1.534 56.350 54.840 -0.040 0.000 0.739 495 L CB -0.964 41.028 42.059 -0.112 0.000 1.599 495 L HN 0.558 nan 8.230 nan 0.000 0.838 496 D N -1.910 118.479 120.400 -0.018 0.000 2.020 496 D HA -0.026 4.614 4.640 0.001 0.000 0.321 496 D C 1.205 177.482 176.300 -0.038 0.000 1.334 496 D CA 0.685 54.664 54.000 -0.035 0.000 1.243 496 D CB -0.103 40.672 40.800 -0.042 0.000 2.339 496 D HN 0.534 nan 8.370 nan 0.000 0.357 497 E N 0.385 120.578 120.200 -0.012 0.000 2.152 497 E HA 0.149 4.500 4.350 0.001 0.000 0.192 497 E C 1.456 178.084 176.600 0.045 0.000 0.983 497 E CA 1.143 57.535 56.400 -0.013 0.000 0.818 497 E CB 0.187 29.910 29.700 0.039 0.000 0.758 497 E HN 0.249 nan 8.360 nan 0.000 0.467 498 A N 1.463 124.345 122.820 0.104 0.000 2.303 498 A HA 0.044 4.365 4.320 0.001 0.000 0.217 498 A C 1.915 179.582 177.584 0.138 0.000 1.205 498 A CA -0.081 52.091 52.037 0.225 0.000 0.875 498 A CB -0.191 18.938 19.000 0.215 0.000 0.910 498 A HN 0.157 nan 8.150 nan 0.000 0.501 499 R N -0.914 119.611 120.500 0.043 0.000 2.105 499 R HA -0.183 4.158 4.340 0.001 0.000 0.239 499 R C 1.940 178.301 176.300 0.101 0.000 1.135 499 R CA 1.599 57.694 56.100 -0.010 0.000 0.967 499 R CB -0.578 29.703 30.300 -0.031 0.000 0.861 499 R HN 0.665 nan 8.270 nan 0.000 0.442 500 W N 0.637 121.894 121.300 -0.072 0.000 2.905 500 W HA 0.009 4.670 4.660 0.001 0.000 0.251 500 W C 0.390 176.975 176.519 0.111 0.000 1.305 500 W CA 0.052 57.383 57.345 -0.024 0.000 1.465 500 W CB 0.063 29.442 29.460 -0.134 0.000 1.122 500 W HN 0.050 nan 8.180 nan 0.000 0.659 501 F N 1.036 121.030 119.950 0.073 0.000 2.780 501 F HA 0.061 4.588 4.527 0.001 0.000 0.299 501 F C 1.245 176.976 175.800 -0.115 0.000 1.146 501 F CA -0.445 57.507 58.000 -0.080 0.000 1.428 501 F CB -1.171 37.771 39.000 -0.096 0.000 1.115 501 F HN -0.337 nan 8.300 nan 0.000 0.583 502 c N 2.328 121.021 118.600 0.155 0.000 2.601 502 c HA 0.445 5.015 4.570 0.001 0.000 0.409 502 c C 0.731 174.892 174.090 0.119 0.000 1.293 502 c CA -1.241 55.198 56.329 0.183 0.000 2.101 502 c CB -0.863 41.741 42.510 0.157 0.000 2.639 502 c HN 0.304 nan 8.230 nan 0.000 0.592 503 I N -0.373 120.308 120.570 0.185 0.000 2.354 503 I HA 0.493 4.664 4.170 0.001 0.000 0.292 503 I C -0.098 176.086 176.117 0.112 0.000 0.989 503 I CA -0.296 61.034 61.300 0.049 0.000 1.188 503 I CB 0.864 38.857 38.000 -0.012 0.000 1.342 503 I HN 0.671 nan 8.210 nan 0.000 0.457 504 E N 3.942 124.200 120.200 0.097 0.000 2.324 504 E HA 0.083 4.433 4.350 0.001 0.000 0.271 504 E C 0.050 176.626 176.600 -0.039 0.000 1.028 504 E CA -0.279 56.151 56.400 0.050 0.000 0.890 504 E CB 1.231 31.000 29.700 0.115 0.000 1.004 504 E HN 0.735 nan 8.360 nan 0.000 0.431 505 L N 3.822 125.000 121.223 -0.074 0.000 2.357 505 L HA 0.271 4.612 4.340 0.001 0.000 0.211 505 L C -0.105 176.763 176.870 -0.002 0.000 1.075 505 L CA 1.012 55.836 54.840 -0.026 0.000 0.830 505 L CB 0.467 42.534 42.059 0.013 0.000 0.996 505 L HN 0.565 nan 8.230 nan 0.000 0.467 506 D N -1.386 118.981 120.400 -0.055 0.000 2.728 506 D HA 0.263 4.903 4.640 0.001 0.000 0.249 506 D C -1.564 174.682 176.300 -0.090 0.000 1.225 506 D CA -0.470 53.533 54.000 0.005 0.000 0.748 506 D CB 1.302 42.171 40.800 0.114 0.000 1.326 506 D HN -0.247 nan 8.370 nan 0.000 0.426 507 K N 2.319 122.702 120.400 -0.028 0.000 2.690 507 K HA 0.395 4.715 4.320 0.001 0.000 0.264 507 K C -1.689 174.821 176.600 -0.149 0.000 1.040 507 K CA -0.552 55.627 56.287 -0.180 0.000 0.946 507 K CB 0.765 33.135 32.500 -0.217 0.000 1.268 507 K HN 0.374 nan 8.250 nan 0.000 0.473 508 F N 1.205 121.005 119.950 -0.250 0.000 2.619 508 F HA 0.624 5.151 4.527 0.001 0.000 0.308 508 F C -1.684 174.028 175.800 -0.146 0.000 1.097 508 F CA -1.320 56.513 58.000 -0.279 0.000 0.953 508 F CB 0.768 39.711 39.000 -0.095 0.000 1.287 508 F HN 0.073 nan 8.300 nan 0.000 0.446 509 F N 2.031 122.163 119.950 0.304 0.000 2.404 509 F HA 0.645 5.172 4.527 0.001 0.000 0.354 509 F C -0.028 175.961 175.800 0.316 0.000 1.122 509 F CA -0.559 57.581 58.000 0.234 0.000 1.080 509 F CB 1.727 40.781 39.000 0.091 0.000 1.131 509 F HN 0.658 nan 8.300 nan 0.000 0.471 510 Q N 3.003 123.149 119.800 0.576 0.000 2.372 510 Q HA 0.445 4.786 4.340 0.001 0.000 0.273 510 Q C -1.300 174.915 176.000 0.359 0.000 1.078 510 Q CA -0.955 55.099 55.803 0.418 0.000 0.806 510 Q CB 1.796 30.775 28.738 0.401 0.000 1.332 510 Q HN 0.553 nan 8.270 nan 0.000 0.435 511 K N 1.651 122.188 120.400 0.228 0.000 2.249 511 K HA 0.416 4.736 4.320 0.001 0.000 0.280 511 K C -0.849 175.871 176.600 0.201 0.000 1.033 511 K CA -0.645 55.759 56.287 0.195 0.000 0.946 511 K CB 1.111 33.685 32.500 0.122 0.000 1.005 511 K HN 0.293 nan 8.250 nan 0.000 0.469 512 V N 4.532 124.574 119.914 0.212 0.000 2.313 512 V HA 0.190 4.311 4.120 0.001 0.000 0.278 512 V C -1.763 174.397 176.094 0.110 0.000 1.017 512 V CA -2.135 60.276 62.300 0.186 0.000 0.823 512 V CB 0.738 32.714 31.823 0.255 0.000 1.010 512 V HN 0.792 nan 8.190 nan 0.000 0.443 513 P HA -0.040 nan 4.420 nan 0.000 0.267 513 P C 0.888 178.211 177.300 0.038 0.000 1.201 513 P CA 0.190 63.322 63.100 0.053 0.000 0.775 513 P CB 0.832 32.559 31.700 0.046 0.000 0.854 514 S N 0.448 116.162 115.700 0.024 0.000 2.650 514 S HA 0.028 4.498 4.470 0.001 0.000 0.256 514 S C 0.909 175.513 174.600 0.007 0.000 0.975 514 S CA 1.117 59.323 58.200 0.010 0.000 0.972 514 S CB -1.208 61.996 63.200 0.007 0.000 0.758 514 S HN 0.889 nan 8.310 nan 0.000 0.542 515 G N -0.071 108.738 108.800 0.014 0.000 2.340 515 G HA2 0.368 4.329 3.960 0.001 0.000 0.299 515 G HA3 0.368 4.329 3.960 0.001 0.000 0.299 515 G C -3.247 171.667 174.900 0.023 0.000 1.291 515 G CA -1.027 44.081 45.100 0.013 0.000 0.841 515 G HN -0.041 nan 8.290 nan 0.000 0.500 516 P HA 0.041 nan 4.420 nan 0.000 0.252 516 P C -0.285 177.033 177.300 0.031 0.000 1.126 516 P CA 1.374 64.490 63.100 0.025 0.000 0.777 516 P CB 0.295 32.006 31.700 0.019 0.000 0.711 517 E N 2.043 122.268 120.200 0.041 0.000 2.428 517 E HA 0.665 5.016 4.350 0.001 0.000 0.259 517 E C -0.995 175.631 176.600 0.043 0.000 0.930 517 E CA -0.790 55.636 56.400 0.043 0.000 0.823 517 E CB 1.585 31.321 29.700 0.059 0.000 1.403 517 E HN 0.071 nan 8.360 nan 0.000 0.415 518 T N 1.439 116.014 114.554 0.035 0.000 3.634 518 T HA 0.276 4.627 4.350 0.001 0.000 0.319 518 T C -0.843 173.868 174.700 0.017 0.000 0.773 518 T CA -0.515 61.606 62.100 0.036 0.000 1.085 518 T CB -0.038 68.849 68.868 0.031 0.000 1.025 518 T HN 0.316 nan 8.240 nan 0.000 0.483 519 I N 2.497 123.072 120.570 0.008 0.000 2.556 519 I HA 0.289 4.460 4.170 0.001 0.000 0.284 519 I C 0.700 176.808 176.117 -0.015 0.000 1.114 519 I CA -0.100 61.172 61.300 -0.048 0.000 1.418 519 I CB 0.682 38.570 38.000 -0.188 0.000 1.394 519 I HN 0.560 nan 8.210 nan 0.000 0.552 520 E N 7.660 127.834 120.200 -0.043 0.000 2.176 520 E HA 0.504 4.855 4.350 0.001 0.000 0.267 520 E C -1.045 175.503 176.600 -0.087 0.000 0.893 520 E CA -0.808 55.575 56.400 -0.029 0.000 0.761 520 E CB 1.952 31.631 29.700 -0.035 0.000 1.133 520 E HN 0.581 nan 8.360 nan 0.000 0.409 521 R N 2.630 123.097 120.500 -0.055 0.000 2.651 521 R HA 0.357 4.698 4.340 0.001 0.000 0.278 521 R C -1.615 174.564 176.300 -0.202 0.000 1.010 521 R CA -0.541 55.468 56.100 -0.152 0.000 0.896 521 R CB 2.287 32.419 30.300 -0.279 0.000 1.211 521 R HN 0.506 nan 8.270 nan 0.000 0.456 522 S N 0.442 115.979 115.700 -0.272 0.000 2.537 522 S HA 0.124 4.594 4.470 0.001 0.000 0.301 522 S C 1.212 175.522 174.600 -0.485 0.000 1.092 522 S CA 0.004 57.968 58.200 -0.394 0.000 1.048 522 S CB 1.723 64.758 63.200 -0.275 0.000 1.053 522 S HN 0.747 nan 8.310 nan 0.000 0.501 523 S N 3.492 118.683 115.700 -0.848 0.000 2.422 523 S HA -0.273 4.198 4.470 0.001 0.000 0.241 523 S C 1.600 176.022 174.600 -0.298 0.000 1.076 523 S CA 2.310 60.032 58.200 -0.797 0.000 1.066 523 S CB -0.564 62.317 63.200 -0.533 0.000 0.890 523 S HN 0.797 nan 8.310 nan 0.000 0.465 524 K N 0.315 120.579 120.400 -0.228 0.000 2.025 524 K HA -0.026 4.294 4.320 0.001 0.000 0.207 524 K C 1.645 178.173 176.600 -0.120 0.000 1.049 524 K CA 1.510 57.722 56.287 -0.125 0.000 0.933 524 K CB -0.231 32.207 32.500 -0.103 0.000 0.714 524 K HN 0.460 nan 8.250 nan 0.000 0.438 525 D N 1.000 121.306 120.400 -0.157 0.000 2.378 525 D HA -0.057 4.584 4.640 0.001 0.000 0.227 525 D C 0.408 176.643 176.300 -0.109 0.000 1.012 525 D CA 0.333 54.248 54.000 -0.142 0.000 0.905 525 D CB -0.077 40.608 40.800 -0.193 0.000 0.895 525 D HN 0.001 nan 8.370 nan 0.000 0.532 526 S N 0.555 116.205 115.700 -0.084 0.000 2.561 526 S HA -0.064 4.406 4.470 0.001 0.000 0.294 526 S C 1.583 176.181 174.600 -0.003 0.000 1.294 526 S CA 0.202 58.389 58.200 -0.021 0.000 1.055 526 S CB 0.702 63.894 63.200 -0.014 0.000 0.819 526 S HN 0.261 nan 8.310 nan 0.000 0.503 527 S N 3.034 118.753 115.700 0.031 0.000 2.527 527 S HA -0.027 4.444 4.470 0.001 0.000 0.222 527 S C 1.270 175.896 174.600 0.043 0.000 0.985 527 S CA 0.487 58.709 58.200 0.037 0.000 0.921 527 S CB -0.337 62.892 63.200 0.048 0.000 0.772 527 S HN 1.219 nan 8.310 nan 0.000 0.529 528 V N -1.207 118.724 119.914 0.028 0.000 3.421 528 V HA 0.431 4.552 4.120 0.001 0.000 0.316 528 V C 0.111 176.193 176.094 -0.020 0.000 1.347 528 V CA -0.199 62.115 62.300 0.023 0.000 1.183 528 V CB -0.797 31.030 31.823 0.008 0.000 1.092 528 V HN 0.305 nan 8.190 nan 0.000 0.433 529 T N 0.488 115.031 114.554 -0.018 0.000 2.908 529 T HA 0.746 5.096 4.350 0.001 0.000 0.290 529 T C -0.797 173.890 174.700 -0.021 0.000 1.034 529 T CA -0.317 61.766 62.100 -0.029 0.000 1.010 529 T CB 2.354 71.209 68.868 -0.020 0.000 1.068 529 T HN 0.100 nan 8.240 nan 0.000 0.481 530 V N 5.191 125.098 119.914 -0.011 0.000 2.686 530 V HA 0.480 4.600 4.120 0.001 0.000 0.306 530 V C -2.031 174.091 176.094 0.047 0.000 1.065 530 V CA -1.826 60.484 62.300 0.017 0.000 0.894 530 V CB 2.280 34.125 31.823 0.036 0.000 1.004 530 V HN 0.738 nan 8.190 nan 0.000 0.424 531 P HA 0.180 nan 4.420 nan 0.000 0.275 531 P C -0.876 176.520 177.300 0.159 0.000 1.270 531 P CA -0.306 62.865 63.100 0.118 0.000 0.791 531 P CB 0.741 32.542 31.700 0.168 0.000 1.089 532 D N -0.218 120.273 120.400 0.151 0.000 2.384 532 D HA 0.268 4.908 4.640 0.001 0.000 0.244 532 D C 0.389 176.804 176.300 0.193 0.000 1.251 532 D CA 0.247 54.344 54.000 0.161 0.000 0.961 532 D CB -0.118 40.797 40.800 0.193 0.000 1.116 532 D HN 0.228 nan 8.370 nan 0.000 0.484 533 M N 0.596 120.309 119.600 0.187 0.000 2.423 533 M HA 0.347 4.828 4.480 0.001 0.000 0.335 533 M C -2.194 174.072 176.300 -0.057 0.000 1.177 533 M CA -1.737 53.549 55.300 -0.024 0.000 1.038 533 M CB 0.821 33.366 32.600 -0.091 0.000 1.641 533 M HN 0.085 nan 8.290 nan 0.000 0.455 534 P HA -0.056 nan 4.420 nan 0.000 0.264 534 P C -0.289 176.966 177.300 -0.075 0.000 1.173 534 P CA 0.095 63.067 63.100 -0.214 0.000 0.761 534 P CB 0.318 31.819 31.700 -0.333 0.000 0.794 535 S N 1.906 117.602 115.700 -0.006 0.000 2.617 535 S HA 0.088 4.559 4.470 0.001 0.000 0.259 535 S C 0.937 175.604 174.600 0.111 0.000 1.301 535 S CA -0.427 57.802 58.200 0.048 0.000 0.984 535 S CB -0.012 63.215 63.200 0.044 0.000 0.954 535 S HN 0.350 nan 8.310 nan 0.000 0.572 536 F N 1.285 121.208 119.950 -0.045 0.000 2.163 536 F HA 0.072 4.600 4.527 0.001 0.000 0.297 536 F C 2.548 178.344 175.800 -0.006 0.000 1.094 536 F CA 1.992 59.974 58.000 -0.030 0.000 1.290 536 F CB -1.108 37.888 39.000 -0.007 0.000 1.017 536 F HN 0.861 nan 8.300 nan 0.000 0.483 537 Q N -0.698 119.071 119.800 -0.052 0.000 2.167 537 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 537 Q C 2.377 178.323 176.000 -0.090 0.000 0.970 537 Q CA 1.599 57.305 55.803 -0.162 0.000 0.855 537 Q CB -0.256 28.417 28.738 -0.107 0.000 0.911 537 Q HN 0.401 nan 8.270 nan 0.000 0.438 538 S N 0.129 115.810 115.700 -0.031 0.000 2.356 538 S HA -0.094 4.377 4.470 0.001 0.000 0.223 538 S C 1.816 176.402 174.600 -0.025 0.000 1.032 538 S CA 1.069 59.253 58.200 -0.026 0.000 1.005 538 S CB -0.212 62.977 63.200 -0.019 0.000 0.867 538 S HN 0.514 nan 8.310 nan 0.000 0.449 539 L N 0.442 121.666 121.223 0.002 0.000 2.478 539 L HA 0.056 4.396 4.340 0.001 0.000 0.223 539 L C 2.412 179.277 176.870 -0.009 0.000 1.140 539 L CA 0.683 55.532 54.840 0.015 0.000 0.842 539 L CB -0.257 41.847 42.059 0.075 0.000 0.953 539 L HN 0.242 nan 8.230 nan 0.000 0.452 540 K N 0.376 120.727 120.400 -0.081 0.000 2.005 540 K HA -0.094 4.226 4.320 0.001 0.000 0.206 540 K C 1.932 178.495 176.600 -0.062 0.000 1.044 540 K CA 1.024 57.235 56.287 -0.126 0.000 0.942 540 K CB -0.082 32.254 32.500 -0.274 0.000 0.727 540 K HN 0.166 nan 8.250 nan 0.000 0.439 541 E N 1.274 121.438 120.200 -0.060 0.000 2.068 541 E HA -0.279 4.072 4.350 0.001 0.000 0.207 541 E C 1.953 178.540 176.600 -0.022 0.000 1.032 541 E CA 1.779 58.159 56.400 -0.034 0.000 0.839 541 E CB -0.100 29.581 29.700 -0.032 0.000 0.758 541 E HN 0.320 nan 8.360 nan 0.000 0.457 542 Q N -0.426 119.361 119.800 -0.021 0.000 2.515 542 Q HA 0.008 4.349 4.340 0.001 0.000 0.212 542 Q C 1.677 177.666 176.000 -0.018 0.000 0.970 542 Q CA 0.599 56.394 55.803 -0.015 0.000 0.941 542 Q CB 0.228 28.960 28.738 -0.009 0.000 0.998 542 Q HN 0.232 nan 8.270 nan 0.000 0.518 543 A N 1.023 123.829 122.820 -0.024 0.000 1.901 543 A HA -0.098 4.223 4.320 0.001 0.000 0.210 543 A C 1.386 178.954 177.584 -0.027 0.000 1.208 543 A CA 0.942 52.959 52.037 -0.033 0.000 0.644 543 A CB -0.122 18.849 19.000 -0.048 0.000 0.863 543 A HN 0.148 nan 8.150 nan 0.000 0.454 544 D N 0.560 120.951 120.400 -0.016 0.000 2.126 544 D HA -0.167 4.473 4.640 0.001 0.000 0.190 544 D C 1.049 177.352 176.300 0.004 0.000 1.001 544 D CA 1.600 55.604 54.000 0.007 0.000 0.841 544 D CB -0.415 40.398 40.800 0.022 0.000 0.949 544 D HN 0.545 nan 8.370 nan 0.000 0.446 545 N N -0.891 117.807 118.700 -0.003 0.000 2.471 545 N HA 0.202 4.943 4.740 0.001 0.000 0.205 545 N C -0.050 175.455 175.510 -0.007 0.000 1.251 545 N CA 0.048 53.096 53.050 -0.003 0.000 0.843 545 N CB 0.394 38.878 38.487 -0.005 0.000 1.044 545 N HN 0.078 nan 8.380 nan 0.000 0.461 546 A N -0.981 121.833 122.820 -0.011 0.000 2.622 546 A HA 0.262 4.582 4.320 0.001 0.000 0.283 546 A C 0.893 178.467 177.584 -0.017 0.000 0.998 546 A CA -0.267 51.760 52.037 -0.017 0.000 0.985 546 A CB 0.318 19.302 19.000 -0.025 0.000 1.236 546 A HN 0.111 nan 8.150 nan 0.000 0.559 547 V N 0.560 120.469 119.914 -0.007 0.000 2.721 547 V HA -0.076 4.044 4.120 0.001 0.000 0.236 547 V C 1.732 177.828 176.094 0.004 0.000 1.116 547 V CA 1.654 63.953 62.300 -0.002 0.000 1.148 547 V CB -0.491 31.337 31.823 0.009 0.000 0.886 547 V HN 0.817 nan 8.190 nan 0.000 0.490 548 N N 0.946 119.651 118.700 0.008 0.000 2.551 548 N HA 0.067 4.808 4.740 0.001 0.000 0.199 548 N C 1.084 176.596 175.510 0.003 0.000 1.277 548 N CA 0.956 54.011 53.050 0.009 0.000 0.870 548 N CB 0.095 38.589 38.487 0.012 0.000 1.028 548 N HN 0.446 nan 8.380 nan 0.000 0.452 549 G N -1.224 107.575 108.800 -0.001 0.000 2.649 549 G HA2 0.556 4.517 3.960 0.001 0.000 0.199 549 G HA3 0.556 4.517 3.960 0.001 0.000 0.199 549 G C 0.399 175.295 174.900 -0.007 0.000 1.085 549 G CA 0.062 45.160 45.100 -0.004 0.000 0.804 549 G HN 0.632 nan 8.290 nan 0.000 0.671 554 D N 4.805 125.203 120.400 -0.004 0.000 2.452 554 D HA 0.306 4.947 4.640 0.001 0.000 0.226 554 D C -0.323 175.988 176.300 0.019 0.000 1.366 554 D CA -0.487 53.512 54.000 -0.002 0.000 0.986 554 D CB 1.351 42.138 40.800 -0.021 0.000 1.420 554 D HN 0.467 nan 8.370 nan 0.000 0.583 555 L N 1.843 123.096 121.223 0.050 0.000 2.541 555 L HA 0.332 4.673 4.340 0.001 0.000 0.187 555 L C 1.205 178.097 176.870 0.035 0.000 1.098 555 L CA 0.061 54.983 54.840 0.137 0.000 0.846 555 L CB -1.389 40.816 42.059 0.244 0.000 1.151 555 L HN 0.379 nan 8.230 nan 0.000 0.492 556 S N 1.641 117.356 115.700 0.025 0.000 3.507 556 S HA -0.119 4.352 4.470 0.001 0.000 0.139 556 S C 0.677 175.207 174.600 -0.116 0.000 0.333 556 S CA 0.743 58.922 58.200 -0.035 0.000 1.411 556 S CB -0.718 62.456 63.200 -0.043 0.000 0.973 556 S HN 0.789 nan 8.310 nan 0.000 0.248 557 A N 2.758 125.447 122.820 -0.218 0.000 2.212 557 A HA 0.387 4.708 4.320 0.001 0.000 0.169 557 A C 0.632 177.867 177.584 -0.581 0.000 1.802 557 A CA 0.120 51.850 52.037 -0.511 0.000 1.344 557 A CB 0.116 18.563 19.000 -0.921 0.000 1.566 557 A HN 0.762 nan 8.150 nan 0.000 0.419 558 Y N 1.902 122.179 120.300 -0.038 0.000 2.636 558 Y HA 0.225 4.776 4.550 0.001 0.000 0.260 558 Y C 1.573 177.448 175.900 -0.040 0.000 1.177 558 Y CA 0.204 58.286 58.100 -0.029 0.000 1.209 558 Y CB 0.044 38.499 38.460 -0.007 0.000 1.166 558 Y HN 0.493 nan 8.280 nan 0.000 0.531 559 E N 0.615 120.831 120.200 0.026 0.000 2.427 559 E HA 0.009 4.359 4.350 0.001 0.000 0.196 559 E C 0.161 176.746 176.600 -0.025 0.000 1.028 559 E CA 0.467 56.865 56.400 -0.003 0.000 0.864 559 E CB 0.117 29.797 29.700 -0.034 0.000 0.813 559 E HN 0.213 nan 8.360 nan 0.000 0.514 560 R N 0.602 121.074 120.500 -0.046 0.000 2.539 560 R HA 0.140 4.481 4.340 0.001 0.000 0.295 560 R C 0.268 176.544 176.300 -0.040 0.000 1.138 560 R CA 0.019 56.085 56.100 -0.056 0.000 0.936 560 R CB 1.487 31.740 30.300 -0.079 0.000 1.182 560 R HN 0.071 nan 8.270 nan 0.000 0.459 561 S N -0.139 115.572 115.700 0.018 0.000 2.436 561 S HA -0.134 4.337 4.470 0.001 0.000 0.228 561 S C 1.719 176.398 174.600 0.132 0.000 1.014 561 S CA 0.426 58.671 58.200 0.075 0.000 0.950 561 S CB -0.212 63.026 63.200 0.064 0.000 0.784 561 S HN 0.676 nan 8.310 nan 0.000 0.504 562 c N 2.378 121.067 118.600 0.148 0.000 2.326 562 c HA -0.073 4.498 4.570 0.001 0.000 0.269 562 c C 2.259 176.588 174.090 0.398 0.000 1.140 562 c CA 0.700 57.202 56.329 0.288 0.000 1.798 562 c CB -1.951 40.734 42.510 0.292 0.000 2.053 562 c HN 0.776 nan 8.230 nan 0.000 0.438 563 G N -0.091 108.814 108.800 0.174 0.000 2.661 563 G HA2 0.362 4.323 3.960 0.001 0.000 0.272 563 G HA3 0.362 4.323 3.960 0.001 0.000 0.272 563 G C -0.041 174.675 174.900 -0.307 0.000 1.296 563 G CA 0.045 45.131 45.100 -0.023 0.000 0.998 563 G HN 0.746 nan 8.290 nan 0.000 0.553 564 I N -2.207 118.137 120.570 -0.377 0.000 2.677 564 I HA 0.477 4.648 4.170 0.001 0.000 0.305 564 I C -2.499 173.517 176.117 -0.169 0.000 0.988 564 I CA -2.622 58.440 61.300 -0.396 0.000 1.260 564 I CB 1.754 39.555 38.000 -0.332 0.000 1.410 564 I HN 0.118 nan 8.210 nan 0.000 0.523 565 P HA 0.013 nan 4.420 nan 0.000 0.265 565 P C -0.191 177.082 177.300 -0.046 0.000 1.193 565 P CA 0.302 63.356 63.100 -0.076 0.000 0.765 565 P CB 0.519 32.157 31.700 -0.105 0.000 0.823 566 D N 3.127 123.523 120.400 -0.008 0.000 2.182 566 D HA -0.201 4.439 4.640 0.001 0.000 0.201 566 D C 1.677 178.041 176.300 0.108 0.000 0.986 566 D CA 1.400 55.433 54.000 0.055 0.000 0.847 566 D CB 0.043 40.878 40.800 0.058 0.000 0.942 566 D HN 0.347 nan 8.370 nan 0.000 0.467 567 R N -0.357 120.140 120.500 -0.006 0.000 2.159 567 R HA -0.099 4.242 4.340 0.001 0.000 0.237 567 R C 1.672 177.975 176.300 0.004 0.000 1.131 567 R CA 1.008 57.083 56.100 -0.041 0.000 0.982 567 R CB -0.460 29.770 30.300 -0.115 0.000 0.868 567 R HN 0.260 nan 8.270 nan 0.000 0.453 568 M N 0.649 120.232 119.600 -0.028 0.000 2.595 568 M HA 0.069 4.549 4.480 0.001 0.000 0.248 568 M C 1.711 177.963 176.300 -0.081 0.000 1.119 568 M CA 0.110 55.375 55.300 -0.059 0.000 1.079 568 M CB -0.707 31.834 32.600 -0.098 0.000 1.472 568 M HN 0.125 nan 8.290 nan 0.000 0.501 569 L N 1.137 122.321 121.223 -0.066 0.000 1.981 569 L HA -0.195 4.146 4.340 0.001 0.000 0.237 569 L C 0.671 177.413 176.870 -0.215 0.000 1.095 569 L CA 1.886 56.643 54.840 -0.138 0.000 0.820 569 L CB -0.603 41.332 42.059 -0.208 0.000 0.914 569 L HN 0.097 nan 8.230 nan 0.000 0.442 570 L N -0.596 120.441 121.223 -0.309 0.000 2.439 570 L HA 0.364 4.705 4.340 0.001 0.000 0.259 570 L C -1.957 174.701 176.870 -0.353 0.000 1.129 570 L CA -2.017 52.596 54.840 -0.378 0.000 0.803 570 L CB -1.135 40.660 42.059 -0.439 0.000 1.161 570 L HN 0.142 nan 8.230 nan 0.000 0.462 571 P HA 0.184 nan 4.420 nan 0.000 0.275 571 P C 0.368 177.473 177.300 -0.325 0.000 1.266 571 P CA -0.559 62.286 63.100 -0.425 0.000 0.793 571 P CB 0.958 32.222 31.700 -0.726 0.000 1.074 572 K N 0.383 120.642 120.400 -0.235 0.000 2.062 572 K HA -0.046 4.275 4.320 0.001 0.000 0.205 572 K C 0.582 176.982 176.600 -0.334 0.000 1.051 572 K CA 1.145 57.220 56.287 -0.355 0.000 0.941 572 K CB -0.290 32.001 32.500 -0.348 0.000 0.719 572 K HN 0.476 nan 8.250 nan 0.000 0.440 573 S N -0.562 115.035 115.700 -0.172 0.000 3.585 573 S HA -0.189 4.281 4.470 0.001 0.000 0.638 573 S C -1.069 173.475 174.600 -0.093 0.000 2.340 573 S CA 0.771 58.939 58.200 -0.054 0.000 2.517 573 S CB -0.451 62.764 63.200 0.026 0.000 0.329 573 S HN 0.455 nan 8.310 nan 0.000 1.795 574 K N 1.503 121.905 120.400 0.003 0.000 2.118 574 K HA 0.456 4.777 4.320 0.001 0.000 0.254 574 K C -2.036 174.680 176.600 0.193 0.000 0.961 574 K CA -1.766 54.590 56.287 0.114 0.000 0.876 574 K CB 0.903 33.494 32.500 0.152 0.000 1.077 574 K HN 0.248 nan 8.250 nan 0.000 0.440 575 P HA -0.131 nan 4.420 nan 0.000 0.223 575 P C -0.005 177.389 177.300 0.156 0.000 1.151 575 P CA 1.008 64.231 63.100 0.205 0.000 0.787 575 P CB 0.282 32.095 31.700 0.190 0.000 0.788 576 E N -0.699 119.596 120.200 0.158 0.000 2.230 576 E HA 0.224 4.574 4.350 0.001 0.000 0.192 576 E C 0.897 177.548 176.600 0.086 0.000 0.987 576 E CA 0.479 56.949 56.400 0.117 0.000 0.841 576 E CB -0.322 29.463 29.700 0.141 0.000 0.783 576 E HN 0.103 nan 8.360 nan 0.000 0.481 577 G N 1.612 110.466 108.800 0.089 0.000 2.712 577 G HA2 -0.094 3.867 3.960 0.001 0.000 0.686 577 G HA3 -0.094 3.867 3.960 0.001 0.000 0.686 577 G C -0.481 174.397 174.900 -0.038 0.000 1.181 577 G CA -0.253 44.867 45.100 0.032 0.000 0.762 577 G HN 0.106 nan 8.290 nan 0.000 0.641 578 M N -0.441 119.077 119.600 -0.136 0.000 2.658 578 M HA 0.807 5.288 4.480 0.001 0.000 0.295 578 M C -0.465 175.537 176.300 -0.496 0.000 1.248 578 M CA -1.082 54.005 55.300 -0.355 0.000 0.843 578 M CB 2.373 34.667 32.600 -0.509 0.000 1.749 578 M HN 0.483 nan 8.290 nan 0.000 0.464 579 E N 1.198 121.091 120.200 -0.511 0.000 2.145 579 E HA 0.597 4.948 4.350 0.001 0.000 0.270 579 E C -1.590 174.688 176.600 -0.536 0.000 0.906 579 E CA -0.429 55.749 56.400 -0.370 0.000 0.761 579 E CB 1.524 31.137 29.700 -0.145 0.000 1.116 579 E HN 0.403 nan 8.360 nan 0.000 0.408 580 F N 0.959 120.930 119.950 0.036 0.000 2.461 580 F HA 0.366 4.894 4.527 0.001 0.000 0.337 580 F C 0.754 176.608 175.800 0.090 0.000 1.079 580 F CA -1.082 56.966 58.000 0.080 0.000 1.032 580 F CB 0.742 39.775 39.000 0.055 0.000 1.327 580 F HN 0.296 nan 8.300 nan 0.000 0.491 581 N N 1.183 120.087 118.700 0.340 0.000 2.392 581 N HA 0.377 5.118 4.740 0.001 0.000 0.283 581 N C -1.611 174.057 175.510 0.264 0.000 1.003 581 N CA -0.430 52.776 53.050 0.261 0.000 0.892 581 N CB 1.556 40.211 38.487 0.280 0.000 1.193 581 N HN 0.612 nan 8.380 nan 0.000 0.487 582 L N 3.318 124.643 121.223 0.170 0.000 2.309 582 L HA 0.478 4.819 4.340 0.001 0.000 0.282 582 L C -1.230 175.677 176.870 0.061 0.000 1.036 582 L CA -0.693 54.245 54.840 0.163 0.000 0.806 582 L CB 0.654 42.799 42.059 0.144 0.000 1.220 582 L HN 0.475 nan 8.230 nan 0.000 0.429 583 Y N 4.179 124.592 120.300 0.189 0.000 2.356 583 Y HA 0.460 5.010 4.550 0.001 0.000 0.334 583 Y C -0.376 175.628 175.900 0.172 0.000 0.958 583 Y CA -0.404 57.822 58.100 0.209 0.000 1.196 583 Y CB 1.791 40.404 38.460 0.255 0.000 1.137 583 Y HN 0.227 nan 8.280 nan 0.000 0.485 584 V N 4.052 124.046 119.914 0.133 0.000 2.384 584 V HA 0.793 4.914 4.120 0.001 0.000 0.287 584 V C -0.354 175.826 176.094 0.143 0.000 1.020 584 V CA -0.723 61.642 62.300 0.108 0.000 0.850 584 V CB 1.258 33.112 31.823 0.051 0.000 0.987 584 V HN 0.792 nan 8.190 nan 0.000 0.436 585 A N 4.644 127.549 122.820 0.141 0.000 2.335 585 A HA 0.792 5.112 4.320 0.001 0.000 0.304 585 A C -0.944 176.636 177.584 -0.007 0.000 1.118 585 A CA -0.598 51.514 52.037 0.126 0.000 0.757 585 A CB 1.872 20.994 19.000 0.203 0.000 1.188 585 A HN 1.056 nan 8.150 nan 0.000 0.460 586 V N 3.773 123.656 119.914 -0.052 0.000 2.378 586 V HA 0.772 4.892 4.120 0.001 0.000 0.288 586 V C 0.128 176.161 176.094 -0.101 0.000 1.016 586 V CA 0.501 62.663 62.300 -0.228 0.000 0.840 586 V CB 1.296 32.880 31.823 -0.399 0.000 0.994 586 V HN 1.299 nan 8.190 nan 0.000 0.431 587 T N 1.992 116.423 114.554 -0.205 0.000 2.948 587 T HA 0.396 4.747 4.350 0.001 0.000 0.285 587 T C -0.004 174.331 174.700 -0.609 0.000 1.019 587 T CA -0.542 61.401 62.100 -0.262 0.000 1.013 587 T CB 1.522 70.282 68.868 -0.181 0.000 1.117 587 T HN 0.700 nan 8.240 nan 0.000 0.533 588 D N 0.467 120.220 120.400 -1.080 0.000 2.489 588 D HA 0.158 4.798 4.640 0.001 0.000 0.237 588 D C 1.716 177.641 176.300 -0.626 0.000 1.212 588 D CA 0.310 53.442 54.000 -1.447 0.000 1.058 588 D CB -0.175 39.898 40.800 -1.211 0.000 1.098 588 D HN 0.808 nan 8.370 nan 0.000 0.509 589 G N 3.725 112.274 108.800 -0.418 0.000 2.661 589 G HA2 -0.369 3.591 3.960 0.001 0.000 0.224 589 G HA3 -0.369 3.591 3.960 0.001 0.000 0.224 589 G C 1.228 175.967 174.900 -0.267 0.000 1.114 589 G CA 0.879 45.832 45.100 -0.245 0.000 0.751 589 G HN 0.436 nan 8.290 nan 0.000 0.609 590 D N -0.690 119.578 120.400 -0.221 0.000 2.264 590 D HA 0.037 4.677 4.640 0.001 0.000 0.208 590 D C 2.184 178.379 176.300 -0.176 0.000 0.966 590 D CA 0.897 54.795 54.000 -0.170 0.000 0.864 590 D CB 0.030 40.772 40.800 -0.097 0.000 0.933 590 D HN 0.460 nan 8.370 nan 0.000 0.499 591 K N -0.343 119.937 120.400 -0.200 0.000 2.370 591 K HA 0.008 4.329 4.320 0.001 0.000 0.194 591 K C 0.716 177.208 176.600 -0.181 0.000 1.070 591 K CA 0.055 56.239 56.287 -0.172 0.000 0.998 591 K CB 0.571 32.971 32.500 -0.167 0.000 0.911 591 K HN -0.149 nan 8.250 nan 0.000 0.533 592 D N 0.606 120.877 120.400 -0.214 0.000 2.087 592 D HA -0.122 4.519 4.640 0.001 0.000 0.210 592 D C 1.121 177.327 176.300 -0.157 0.000 0.973 592 D CA 2.005 55.901 54.000 -0.174 0.000 0.882 592 D CB -0.449 40.269 40.800 -0.137 0.000 1.019 592 D HN 0.212 nan 8.370 nan 0.000 0.450 593 T N -0.559 113.830 114.554 -0.275 0.000 3.650 593 T HA -0.060 4.291 4.350 0.001 0.000 0.254 593 T C 0.865 175.380 174.700 -0.308 0.000 1.130 593 T CA 0.116 62.012 62.100 -0.340 0.000 0.984 593 T CB -0.654 67.837 68.868 -0.629 0.000 1.039 593 T HN 0.149 nan 8.240 nan 0.000 0.586 594 E N 0.649 120.699 120.200 -0.250 0.000 2.413 594 E HA 0.109 4.459 4.350 0.001 0.000 0.204 594 E C 1.312 177.700 176.600 -0.353 0.000 1.275 594 E CA 0.280 56.538 56.400 -0.238 0.000 1.090 594 E CB -0.894 28.705 29.700 -0.168 0.000 1.145 594 E HN 0.767 nan 8.360 nan 0.000 0.472 595 G N -0.278 108.171 108.800 -0.586 0.000 3.765 595 G HA2 0.009 3.970 3.960 0.001 0.000 0.153 595 G HA3 0.009 3.970 3.960 0.001 0.000 0.153 595 G C -0.334 174.090 174.900 -0.794 0.000 1.286 595 G CA -0.092 44.501 45.100 -0.845 0.000 0.814 595 G HN 0.404 nan 8.290 nan 0.000 0.772 607 A N 0.387 123.194 122.820 -0.022 0.000 2.538 607 A HA 0.166 4.487 4.320 0.001 0.000 0.269 607 A C 0.753 178.419 177.584 0.137 0.000 1.231 607 A CA -0.082 51.973 52.037 0.031 0.000 0.948 607 A CB 0.309 19.269 19.000 -0.066 0.000 1.110 607 A HN 0.406 nan 8.150 nan 0.000 0.529 608 Q N -1.136 118.837 119.800 0.288 0.000 2.287 608 Q HA 0.129 4.469 4.340 0.001 0.000 0.201 608 Q C 0.527 176.735 176.000 0.348 0.000 0.946 608 Q CA 0.787 56.783 55.803 0.323 0.000 0.868 608 Q CB -0.483 28.459 28.738 0.340 0.000 0.967 608 Q HN 0.446 nan 8.270 nan 0.000 0.516 609 c N 2.151 120.915 118.600 0.273 0.000 2.248 609 c HA 0.564 5.134 4.570 0.001 0.000 0.320 609 c C 1.346 175.521 174.090 0.142 0.000 1.065 609 c CA -0.818 55.630 56.329 0.198 0.000 1.558 609 c CB -0.652 41.908 42.510 0.083 0.000 1.787 609 c HN 0.573 nan 8.230 nan 0.000 0.426 610 G N 3.069 112.008 108.800 0.231 0.000 3.262 610 G HA2 0.016 3.977 3.960 0.001 0.000 0.222 610 G HA3 0.016 3.977 3.960 0.001 0.000 0.222 610 G C 1.344 176.269 174.900 0.041 0.000 1.269 610 G CA 0.325 45.544 45.100 0.198 0.000 1.032 610 G HN 0.663 nan 8.290 nan 0.000 0.502 611 V N 0.205 120.047 119.914 -0.120 0.000 2.481 611 V HA -0.281 3.839 4.120 0.001 0.000 0.263 611 V C 1.790 177.973 176.094 0.149 0.000 1.108 611 V CA 1.917 64.105 62.300 -0.187 0.000 1.113 611 V CB -0.529 31.217 31.823 -0.128 0.000 0.684 611 V HN 0.725 nan 8.190 nan 0.000 0.467 612 H N -1.888 117.165 119.070 -0.028 0.000 2.486 612 H HA 0.405 4.962 4.556 0.001 0.000 0.284 612 H C 1.566 176.758 175.328 -0.226 0.000 1.103 612 H CA 0.444 56.341 56.048 -0.251 0.000 1.089 612 H CB 0.619 30.179 29.762 -0.336 0.000 1.603 612 H HN 0.492 nan 8.280 nan 0.000 0.557 613 G N 1.670 110.670 108.800 0.333 0.000 2.179 613 G HA2 -0.242 3.719 3.960 0.001 0.000 0.220 613 G HA3 -0.242 3.719 3.960 0.001 0.000 0.220 613 G C -0.021 175.038 174.900 0.265 0.000 0.990 613 G CA -0.523 44.824 45.100 0.411 0.000 0.646 613 G HN 0.429 nan 8.290 nan 0.000 0.517 614 E N 1.308 121.623 120.200 0.192 0.000 2.383 614 E HA 0.441 4.792 4.350 0.001 0.000 0.257 614 E C 0.892 177.586 176.600 0.157 0.000 1.079 614 E CA 0.199 56.682 56.400 0.139 0.000 0.934 614 E CB 0.760 30.524 29.700 0.105 0.000 0.978 614 E HN 0.728 nan 8.360 nan 0.000 0.462 615 A N 4.462 127.342 122.820 0.099 0.000 2.545 615 A HA -0.100 4.221 4.320 0.001 0.000 0.253 615 A C -0.321 177.221 177.584 -0.070 0.000 1.074 615 A CA -0.088 51.957 52.037 0.013 0.000 0.760 615 A CB -0.239 18.722 19.000 -0.065 0.000 1.005 615 A HN 0.623 nan 8.150 nan 0.000 0.506 616 Y N 6.136 126.385 120.300 -0.085 0.000 2.881 616 Y HA 0.047 4.598 4.550 0.001 0.000 0.335 616 Y C -1.125 174.660 175.900 -0.192 0.000 1.263 616 Y CA -0.621 57.448 58.100 -0.051 0.000 1.572 616 Y CB 0.618 39.083 38.460 0.009 0.000 1.237 616 Y HN 0.601 nan 8.280 nan 0.000 0.568 617 P HA -0.115 nan 4.420 nan 0.000 0.220 617 P C -0.047 177.250 177.300 -0.005 0.000 1.152 617 P CA 0.941 63.944 63.100 -0.161 0.000 0.812 617 P CB 0.227 31.918 31.700 -0.014 0.000 0.792 618 D N -0.238 120.054 120.400 -0.179 0.000 2.304 618 D HA 0.068 4.709 4.640 0.001 0.000 0.247 618 D C 0.772 177.144 176.300 0.119 0.000 1.089 618 D CA -0.181 53.844 54.000 0.042 0.000 0.910 618 D CB 0.529 41.334 40.800 0.009 0.000 1.199 618 D HN -0.179 nan 8.370 nan 0.000 0.426 619 N N 1.521 120.272 118.700 0.084 0.000 2.332 619 N HA 0.021 4.762 4.740 0.001 0.000 0.190 619 N C 0.055 175.576 175.510 0.018 0.000 1.117 619 N CA -0.227 52.878 53.050 0.092 0.000 0.883 619 N CB 0.388 38.912 38.487 0.061 0.000 1.089 619 N HN 0.168 nan 8.380 nan 0.000 0.480 620 R N 2.396 122.841 120.500 -0.091 0.000 2.758 620 R HA 0.116 4.457 4.340 0.001 0.000 0.263 620 R C -1.679 174.617 176.300 -0.008 0.000 1.010 620 R CA -1.218 54.747 56.100 -0.226 0.000 1.114 620 R CB -0.420 29.529 30.300 -0.586 0.000 0.985 620 R HN 0.196 nan 8.270 nan 0.000 0.439 621 P HA 0.018 nan 4.420 nan 0.000 0.288 621 P C -0.633 176.707 177.300 0.067 0.000 1.291 621 P CA -0.269 62.916 63.100 0.141 0.000 0.766 621 P CB 0.559 32.396 31.700 0.228 0.000 1.242 622 L N -0.681 120.531 121.223 -0.019 0.000 2.272 622 L HA 0.528 4.869 4.340 0.001 0.000 0.289 622 L C 1.320 177.877 176.870 -0.522 0.000 1.032 622 L CA 1.125 55.716 54.840 -0.415 0.000 0.810 622 L CB 0.572 42.186 42.059 -0.742 0.000 1.205 622 L HN 0.852 nan 8.230 nan 0.000 0.422 623 G N 2.073 110.588 108.800 -0.476 0.000 2.175 623 G HA2 -0.285 3.676 3.960 0.001 0.000 0.182 623 G HA3 -0.285 3.676 3.960 0.001 0.000 0.182 623 G C -0.076 174.905 174.900 0.136 0.000 1.003 623 G CA -0.584 44.498 45.100 -0.030 0.000 0.666 623 G HN 0.466 nan 8.290 nan 0.000 0.506 624 Y N 2.677 123.011 120.300 0.057 0.000 2.717 624 Y HA 0.408 4.959 4.550 0.001 0.000 0.330 624 Y C -1.463 174.509 175.900 0.119 0.000 1.217 624 Y CA -0.127 58.021 58.100 0.080 0.000 1.506 624 Y CB 1.170 39.658 38.460 0.047 0.000 1.268 624 Y HN 0.073 nan 8.280 nan 0.000 0.561 625 P HA 0.166 nan 4.420 nan 0.000 0.270 625 P C -0.304 176.830 177.300 -0.278 0.000 1.754 625 P CA 0.297 62.978 63.100 -0.699 0.000 1.202 625 P CB -0.041 30.984 31.700 -1.124 0.000 1.592 626 L N 0.242 121.303 121.223 -0.271 0.000 2.700 626 L HA 0.179 4.520 4.340 0.001 0.000 0.234 626 L C 1.950 178.816 176.870 -0.008 0.000 1.156 626 L CA 0.126 54.833 54.840 -0.220 0.000 0.946 626 L CB -0.300 41.496 42.059 -0.438 0.000 1.216 626 L HN 0.075 nan 8.230 nan 0.000 0.493 627 E N 1.499 121.758 120.200 0.099 0.000 2.481 627 E HA -0.075 4.276 4.350 0.001 0.000 0.195 627 E C 0.661 177.370 176.600 0.181 0.000 1.047 627 E CA 0.133 56.690 56.400 0.262 0.000 0.867 627 E CB 0.420 30.306 29.700 0.310 0.000 0.858 627 E HN 0.414 nan 8.360 nan 0.000 0.513 628 R N 0.597 121.136 120.500 0.064 0.000 2.778 628 R HA 0.361 4.702 4.340 0.001 0.000 0.277 628 R C -0.239 176.012 176.300 -0.081 0.000 0.977 628 R CA -0.816 55.239 56.100 -0.075 0.000 0.950 628 R CB 1.392 31.527 30.300 -0.276 0.000 1.165 628 R HN -0.076 nan 8.270 nan 0.000 0.474 629 R N 2.464 122.889 120.500 -0.126 0.000 2.566 629 R HA -0.001 4.339 4.340 0.001 0.000 0.273 629 R C -0.201 176.054 176.300 -0.075 0.000 0.981 629 R CA 0.834 56.868 56.100 -0.111 0.000 1.091 629 R CB 0.162 30.389 30.300 -0.122 0.000 0.924 629 R HN 0.484 nan 8.270 nan 0.000 0.411 630 I N 5.627 126.164 120.570 -0.055 0.000 2.668 630 I HA 0.153 4.324 4.170 0.001 0.000 0.276 630 I C -1.747 174.355 176.117 -0.025 0.000 1.139 630 I CA -1.953 59.329 61.300 -0.030 0.000 1.133 630 I CB 1.689 39.670 38.000 -0.031 0.000 1.327 630 I HN 0.371 nan 8.210 nan 0.000 0.520 631 P HA -0.087 nan 4.420 nan 0.000 0.215 631 P C -0.220 177.079 177.300 -0.002 0.000 1.157 631 P CA 1.274 64.363 63.100 -0.019 0.000 0.859 631 P CB 0.017 31.705 31.700 -0.021 0.000 0.786 632 D N -1.161 119.246 120.400 0.011 0.000 2.549 632 D HA 0.067 4.707 4.640 0.001 0.000 0.251 632 D C 0.489 176.812 176.300 0.038 0.000 1.153 632 D CA -0.862 53.153 54.000 0.024 0.000 0.861 632 D CB 0.994 41.810 40.800 0.026 0.000 1.207 632 D HN -0.011 nan 8.370 nan 0.000 0.543 633 E N 2.590 122.817 120.200 0.044 0.000 2.265 633 E HA -0.204 4.147 4.350 0.001 0.000 0.196 633 E C 1.618 178.269 176.600 0.084 0.000 0.996 633 E CA 0.536 56.975 56.400 0.065 0.000 0.832 633 E CB 0.139 29.884 29.700 0.074 0.000 0.756 633 E HN 0.439 nan 8.360 nan 0.000 0.491 634 R N -0.372 120.171 120.500 0.071 0.000 2.178 634 R HA -0.223 4.118 4.340 0.001 0.000 0.257 634 R C 1.973 178.325 176.300 0.087 0.000 1.163 634 R CA 1.916 58.059 56.100 0.072 0.000 0.981 634 R CB -0.174 30.159 30.300 0.055 0.000 0.878 634 R HN 0.137 nan 8.270 nan 0.000 0.454 635 V N -0.354 119.612 119.914 0.087 0.000 2.331 635 V HA -0.152 3.968 4.120 0.001 0.000 0.242 635 V C 2.000 178.157 176.094 0.106 0.000 1.034 635 V CA 1.296 63.658 62.300 0.102 0.000 1.027 635 V CB -0.394 31.483 31.823 0.091 0.000 0.667 635 V HN 0.160 nan 8.190 nan 0.000 0.457 636 I N 0.973 121.602 120.570 0.098 0.000 2.185 636 I HA -0.284 3.887 4.170 0.001 0.000 0.246 636 I C 2.022 178.224 176.117 0.141 0.000 1.088 636 I CA 1.663 63.029 61.300 0.111 0.000 1.347 636 I CB -0.757 37.318 38.000 0.125 0.000 1.041 636 I HN 0.289 nan 8.210 nan 0.000 0.415 637 D N 0.046 120.540 120.400 0.156 0.000 2.354 637 D HA -0.084 4.556 4.640 0.001 0.000 0.216 637 D C 1.825 178.198 176.300 0.122 0.000 0.970 637 D CA 1.336 55.426 54.000 0.150 0.000 0.905 637 D CB -0.265 40.617 40.800 0.138 0.000 0.903 637 D HN 0.447 nan 8.370 nan 0.000 0.508 638 G N -0.266 108.615 108.800 0.135 0.000 3.969 638 G HA2 0.296 4.257 3.960 0.001 0.000 0.291 638 G HA3 0.296 4.257 3.960 0.001 0.000 0.291 638 G C 0.012 175.048 174.900 0.227 0.000 1.016 638 G CA -0.108 45.092 45.100 0.167 0.000 0.819 638 G HN 0.178 nan 8.290 nan 0.000 0.493 639 V N -0.461 119.512 119.914 0.099 0.000 2.435 639 V HA 0.621 4.742 4.120 0.001 0.000 0.290 639 V C 1.294 177.409 176.094 0.034 0.000 1.030 639 V CA 0.309 62.582 62.300 -0.044 0.000 0.881 639 V CB 1.398 33.119 31.823 -0.170 0.000 0.983 639 V HN 0.237 nan 8.190 nan 0.000 0.445 640 S N 3.274 118.999 115.700 0.041 0.000 2.382 640 S HA -0.217 4.253 4.470 0.001 0.000 0.228 640 S C 1.208 175.827 174.600 0.033 0.000 1.027 640 S CA 1.538 59.762 58.200 0.041 0.000 0.991 640 S CB -1.057 62.161 63.200 0.030 0.000 0.823 640 S HN 1.044 nan 8.310 nan 0.000 0.469 641 N N 0.941 119.661 118.700 0.033 0.000 2.413 641 N HA 0.237 4.978 4.740 0.001 0.000 0.207 641 N C -0.295 175.249 175.510 0.056 0.000 1.206 641 N CA -0.098 52.982 53.050 0.051 0.000 0.832 641 N CB -0.143 38.406 38.487 0.104 0.000 1.037 641 N HN 0.435 nan 8.380 nan 0.000 0.467 642 I N 0.156 120.765 120.570 0.065 0.000 2.582 642 I HA 0.366 4.537 4.170 0.001 0.000 0.292 642 I C -0.675 175.493 176.117 0.086 0.000 1.066 642 I CA -0.902 60.461 61.300 0.104 0.000 1.053 642 I CB 2.257 40.336 38.000 0.132 0.000 1.241 642 I HN -0.097 nan 8.210 nan 0.000 0.421 643 K N 4.316 124.757 120.400 0.068 0.000 2.557 643 K HA 0.451 4.771 4.320 0.001 0.000 0.257 643 K C -1.555 174.989 176.600 -0.094 0.000 0.933 643 K CA -0.804 55.480 56.287 -0.005 0.000 0.820 643 K CB 1.711 34.212 32.500 0.002 0.000 1.330 643 K HN 0.757 nan 8.250 nan 0.000 0.432 644 H N 0.101 119.018 119.070 -0.255 0.000 2.667 644 H HA 0.811 5.367 4.556 0.001 0.000 0.353 644 H C -1.507 173.702 175.328 -0.200 0.000 1.072 644 H CA -0.918 54.859 56.048 -0.452 0.000 1.214 644 H CB 1.758 30.970 29.762 -0.916 0.000 1.600 644 H HN 0.133 nan 8.280 nan 0.000 0.527 645 V N 4.930 124.816 119.914 -0.046 0.000 2.760 645 V HA 0.449 4.569 4.120 0.001 0.000 0.309 645 V C -0.584 175.555 176.094 0.074 0.000 1.077 645 V CA -0.748 61.547 62.300 -0.009 0.000 0.910 645 V CB 2.014 33.834 31.823 -0.005 0.000 1.008 645 V HN 0.967 nan 8.190 nan 0.000 0.424 646 V N 7.746 127.708 119.914 0.080 0.000 2.530 646 V HA 0.767 4.887 4.120 0.001 0.000 0.282 646 V C -0.139 175.998 176.094 0.071 0.000 1.048 646 V CA 0.468 62.826 62.300 0.096 0.000 0.997 646 V CB 1.327 33.202 31.823 0.086 0.000 0.987 646 V HN 1.082 nan 8.190 nan 0.000 0.477 647 V N 2.877 122.844 119.914 0.089 0.000 3.267 647 V HA 0.757 4.878 4.120 0.001 0.000 0.317 647 V C -0.243 175.881 176.094 0.050 0.000 1.131 647 V CA -1.019 61.320 62.300 0.066 0.000 1.031 647 V CB 1.651 33.516 31.823 0.069 0.000 1.159 647 V HN 1.176 nan 8.190 nan 0.000 0.454 648 K N 0.680 121.094 120.400 0.023 0.000 2.535 648 K HA 0.647 4.968 4.320 0.001 0.000 0.251 648 K C -1.977 174.625 176.600 0.004 0.000 0.942 648 K CA -0.666 55.619 56.287 -0.004 0.000 0.798 648 K CB 2.173 34.659 32.500 -0.024 0.000 1.267 648 K HN 0.830 nan 8.250 nan 0.000 0.434 649 I N 4.191 124.791 120.570 0.049 0.000 2.433 649 I HA 0.399 4.570 4.170 0.001 0.000 0.292 649 I C -0.611 175.521 176.117 0.025 0.000 1.001 649 I CA -1.216 60.107 61.300 0.040 0.000 1.119 649 I CB 2.014 40.096 38.000 0.136 0.000 1.289 649 I HN 0.251 nan 8.210 nan 0.000 0.438 650 V N 4.034 123.939 119.914 -0.015 0.000 2.680 650 V HA 0.354 4.475 4.120 0.001 0.000 0.309 650 V C -0.865 175.239 176.094 0.017 0.000 1.052 650 V CA -0.815 61.493 62.300 0.013 0.000 0.908 650 V CB 1.864 33.689 31.823 0.004 0.000 1.001 650 V HN 0.622 nan 8.190 nan 0.000 0.431 651 H N 2.287 121.344 119.070 -0.022 0.000 2.595 651 H HA 0.464 5.020 4.556 0.001 0.000 0.313 651 H C -0.300 175.113 175.328 0.142 0.000 1.023 651 H CA -0.454 55.591 56.048 -0.005 0.000 1.218 651 H CB 0.390 30.148 29.762 -0.007 0.000 1.403 651 H HN 0.774 nan 8.280 nan 0.000 0.477 652 H N 5.012 123.985 119.070 -0.161 0.000 2.742 652 H HA 0.096 4.653 4.556 0.001 0.000 0.302 652 H C 0.043 175.143 175.328 -0.381 0.000 1.069 652 H CA -0.701 55.240 56.048 -0.178 0.000 1.446 652 H CB 1.172 30.921 29.762 -0.021 0.000 1.462 652 H HN 0.384 nan 8.280 nan 0.000 0.499 653 L N 0.000 121.134 121.223 -0.149 0.000 2.949 653 L HA 0.000 4.341 4.340 0.001 0.000 0.249 653 L CA 0.000 54.767 54.840 -0.121 0.000 0.813 653 L CB 0.000 42.028 42.059 -0.051 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502