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 3mi6_1_C DATA FIRST_RESID 2 DATA SEQUENCE SIHVNEANLT FHLQTDHTSY IFQIXKNGEA GQIYYGPRIH VQPTYQNLXS DATA SEQUENCE QEWRDATPSL NEENPNFQPA TIKAEYASLG KGDFRQPAFQ VTQANGSRIT DATA SEQUENCE ELTYDHYQLL TGKQRLANLP STFDDTDDDA QTLVVSFNDR ITGLALDLNY DATA SEQUENCE SIFPHQDVIV KSAKFTNPSS EKLVLNRALS SQLDLPDANY DLIQFSGTWA DATA SEQUENCE RERHLYRHPL RPGXQSISSL RXASSHQQNP FXXLARPQTT DEQGAVFGFN DATA SEQUENCE LVYSGNFLDA IEVDQYSTSR ILTGINPDEF GWNLAPQATF QTPEAILSYT DATA SEQUENCE SAGXNQLSQQ XASFYQQHLV NPRFAHEERP VLINNWEATY FDFNEAKLXT DATA SEQUENCE IVNQAKRLGI EXFVLDDGWF GHRDDDTTSL GDWFVDQRKF PDGIEHFSQA DATA SEQUENCE VHQQGXKFGL WFEPEXVSVD SDLYQQHPDW LIHAPKSTPT PGRHQFVLDX DATA SEQUENCE ARPEVVDYLF KLXSQXIESA NLDYIKWDXN RYATEXFSSR LTSDQQLELP DATA SEQUENCE HRYILGVYQL YARLTQAYPN VLFESCASGG GRFDLGXXYY APQAWTSDDT DATA SEQUENCE DAAERLLIQF GTSYGYPQAX XGAHVSAVPN DQXGRITSLK TRGAVAFFGD DATA SEQUENCE LGYELDITKX APTELDQVKK QVAFYKCYRQ LFQFGKFYRI DSPFVEDGNV DATA SEQUENCE TSWQVVSDDQ KQAIAARYQL LNHPNAPYTR FYFKGLRPNQ RYQINDDPST DATA SEQUENCE YYGDELXNAG YFVPTILADG QESKDFYTQL FVVTAIL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.565 174.600 -0.059 0.000 1.055 2 S CA 0.000 58.148 58.200 -0.088 0.000 1.107 2 S CB 0.000 63.093 63.200 -0.179 0.000 0.593 3 I N 2.158 122.633 120.570 -0.158 0.000 2.336 3 I HA 0.426 4.596 4.170 0.000 0.000 0.292 3 I C -0.455 175.520 176.117 -0.237 0.000 0.991 3 I CA -0.476 60.776 61.300 -0.081 0.000 1.227 3 I CB 1.031 39.007 38.000 -0.041 0.000 1.366 3 I HN 0.570 nan 8.210 nan 0.000 0.466 4 H N 5.689 124.711 119.070 -0.081 0.000 2.539 4 H HA 0.422 4.979 4.556 0.000 0.000 0.332 4 H C -0.941 174.263 175.328 -0.206 0.000 1.031 4 H CA -0.641 55.330 56.048 -0.127 0.000 1.206 4 H CB 2.532 32.201 29.762 -0.155 0.000 1.446 4 H HN 0.223 nan 8.280 nan 0.000 0.496 5 V N 3.589 123.377 119.914 -0.210 0.000 2.417 5 V HA 0.073 4.193 4.120 0.000 0.000 0.291 5 V C 0.274 176.144 176.094 -0.374 0.000 1.024 5 V CA -0.813 61.168 62.300 -0.532 0.000 0.861 5 V CB 1.550 32.901 31.823 -0.786 0.000 0.985 5 V HN 0.685 nan 8.190 nan 0.000 0.436 6 N N 3.147 121.600 118.700 -0.412 0.000 2.589 6 N HA 0.214 4.954 4.740 0.000 0.000 0.232 6 N C 1.030 176.379 175.510 -0.269 0.000 1.015 6 N CA -0.321 52.578 53.050 -0.253 0.000 0.931 6 N CB 0.803 39.181 38.487 -0.182 0.000 1.150 6 N HN 0.668 nan 8.380 nan 0.000 0.512 7 E N 1.919 122.015 120.200 -0.173 0.000 2.118 7 E HA -0.245 4.105 4.350 0.000 0.000 0.195 7 E C 1.680 178.251 176.600 -0.049 0.000 0.992 7 E CA 1.257 57.608 56.400 -0.081 0.000 0.804 7 E CB -0.030 29.698 29.700 0.047 0.000 0.741 7 E HN 0.747 nan 8.360 nan 0.000 0.458 8 A N 1.714 124.504 122.820 -0.050 0.000 1.940 8 A HA -0.188 4.132 4.320 0.000 0.000 0.219 8 A C 1.775 179.340 177.584 -0.031 0.000 1.176 8 A CA 1.475 53.495 52.037 -0.028 0.000 0.631 8 A CB -0.196 18.786 19.000 -0.031 0.000 0.814 8 A HN 0.185 nan 8.150 nan 0.000 0.446 9 N N -1.222 117.438 118.700 -0.067 0.000 2.184 9 N HA 0.256 4.996 4.740 0.000 0.000 0.206 9 N C -0.321 175.142 175.510 -0.077 0.000 1.151 9 N CA 0.207 53.225 53.050 -0.054 0.000 0.878 9 N CB 0.686 39.138 38.487 -0.058 0.000 1.014 9 N HN 0.345 nan 8.380 nan 0.000 0.512 10 L N 1.607 122.737 121.223 -0.156 0.000 3.634 10 L HA -0.170 4.170 4.340 0.000 0.000 0.423 10 L C -0.788 175.917 176.870 -0.275 0.000 1.253 10 L CA 0.335 55.025 54.840 -0.250 0.000 0.885 10 L CB -2.251 39.732 42.059 -0.128 0.000 1.789 10 L HN 0.069 nan 8.230 nan 0.000 0.904 11 T N 0.261 114.605 114.554 -0.350 0.000 2.771 11 T HA 0.548 4.898 4.350 0.000 0.000 0.291 11 T C -0.241 174.136 174.700 -0.537 0.000 0.954 11 T CA -0.056 61.892 62.100 -0.252 0.000 1.045 11 T CB 0.562 69.376 68.868 -0.090 0.000 0.917 11 T HN 0.085 nan 8.240 nan 0.000 0.484 12 F N 2.870 122.553 119.950 -0.445 0.000 2.426 12 F HA 0.341 4.868 4.527 0.000 0.000 0.348 12 F C 0.591 176.106 175.800 -0.476 0.000 1.124 12 F CA -0.859 56.748 58.000 -0.655 0.000 1.008 12 F CB 1.122 39.280 39.000 -1.402 0.000 1.139 12 F HN 0.529 nan 8.300 nan 0.000 0.452 13 H N 5.129 124.103 119.070 -0.160 0.000 2.953 13 H HA 0.422 4.978 4.556 0.000 0.000 0.290 13 H C -1.560 173.793 175.328 0.042 0.000 1.113 13 H CA -0.978 55.053 56.048 -0.029 0.000 1.454 13 H CB 0.864 30.643 29.762 0.028 0.000 1.525 13 H HN 0.483 nan 8.280 nan 0.000 0.505 14 L N 4.485 125.884 121.223 0.293 0.000 2.290 14 L HA 0.311 4.651 4.340 0.000 0.000 0.284 14 L C 0.432 177.493 176.870 0.318 0.000 1.078 14 L CA 0.153 55.129 54.840 0.227 0.000 0.815 14 L CB 1.123 43.246 42.059 0.107 0.000 1.162 14 L HN 0.510 nan 8.230 nan 0.000 0.435 15 Q N 2.195 122.133 119.800 0.230 0.000 2.327 15 Q HA 0.438 4.778 4.340 0.000 0.000 0.270 15 Q C -0.069 175.988 176.000 0.094 0.000 1.022 15 Q CA -0.549 55.361 55.803 0.180 0.000 0.773 15 Q CB 2.138 30.934 28.738 0.096 0.000 1.251 15 Q HN 0.773 nan 8.270 nan 0.000 0.457 16 T N -1.647 112.966 114.554 0.097 0.000 2.867 16 T HA 0.148 4.498 4.350 0.000 0.000 0.286 16 T C 0.693 175.379 174.700 -0.024 0.000 1.022 16 T CA -0.461 61.658 62.100 0.032 0.000 0.933 16 T CB 0.553 69.465 68.868 0.074 0.000 1.280 16 T HN 0.311 nan 8.240 nan 0.000 0.566 17 D N 0.090 120.423 120.400 -0.112 0.000 2.149 17 D HA -0.056 4.584 4.640 0.000 0.000 0.198 17 D C 1.435 177.433 176.300 -0.504 0.000 0.990 17 D CA 1.759 55.558 54.000 -0.335 0.000 0.839 17 D CB -0.208 40.309 40.800 -0.471 0.000 0.948 17 D HN 0.811 nan 8.370 nan 0.000 0.460 18 H N -2.489 116.647 119.070 0.110 0.000 3.233 18 H HA 0.257 4.813 4.556 0.000 0.000 0.263 18 H C 0.007 175.421 175.328 0.144 0.000 1.168 18 H CA 0.073 56.190 56.048 0.116 0.000 1.159 18 H CB 0.917 30.742 29.762 0.105 0.000 1.593 18 H HN -0.024 nan 8.280 nan 0.000 0.580 19 T N -1.379 113.310 114.554 0.224 0.000 2.900 19 T HA 0.678 5.028 4.350 0.000 0.000 0.295 19 T C -0.368 174.482 174.700 0.249 0.000 1.044 19 T CA -0.817 61.417 62.100 0.223 0.000 0.995 19 T CB 2.418 71.446 68.868 0.266 0.000 1.072 19 T HN 0.004 nan 8.240 nan 0.000 0.473 20 S N 1.615 117.472 115.700 0.261 0.000 2.482 20 S HA 0.602 5.072 4.470 0.000 0.000 0.303 20 S C -1.839 172.921 174.600 0.266 0.000 1.091 20 S CA -0.663 57.725 58.200 0.312 0.000 1.057 20 S CB 0.932 64.359 63.200 0.378 0.000 1.031 20 S HN 0.737 nan 8.310 nan 0.000 0.485 21 Y N 3.836 124.178 120.300 0.069 0.000 2.349 21 Y HA 0.591 5.141 4.550 0.000 0.000 0.324 21 Y C -1.286 174.551 175.900 -0.104 0.000 1.005 21 Y CA -0.936 57.127 58.100 -0.063 0.000 1.240 21 Y CB 0.257 38.572 38.460 -0.242 0.000 1.117 21 Y HN 0.560 nan 8.280 nan 0.000 0.463 22 I N 7.817 128.292 120.570 -0.160 0.000 2.433 22 I HA 0.543 4.713 4.170 0.000 0.000 0.292 22 I C -0.836 175.261 176.117 -0.033 0.000 1.001 22 I CA -0.905 60.276 61.300 -0.200 0.000 1.119 22 I CB 1.260 38.990 38.000 -0.451 0.000 1.289 22 I HN 0.500 nan 8.210 nan 0.000 0.438 23 F N 2.907 122.849 119.950 -0.013 0.000 2.706 23 F HA 0.802 5.329 4.527 0.000 0.000 0.328 23 F C -0.909 174.968 175.800 0.127 0.000 1.123 23 F CA -0.896 57.116 58.000 0.021 0.000 0.978 23 F CB 1.669 40.678 39.000 0.015 0.000 1.404 23 F HN 0.459 nan 8.300 nan 0.000 0.497 24 Q N 1.206 121.234 119.800 0.380 0.000 2.391 24 Q HA 0.499 4.839 4.340 0.000 0.000 0.279 24 Q C -1.637 174.539 176.000 0.293 0.000 1.028 24 Q CA -0.882 55.083 55.803 0.270 0.000 0.836 24 Q CB 2.726 31.566 28.738 0.170 0.000 1.414 24 Q HN 0.667 nan 8.270 nan 0.000 0.397 28 N N 0.649 119.277 118.700 -0.120 0.000 2.280 28 N HA 0.090 4.830 4.740 0.000 0.000 0.192 28 N C 0.998 176.545 175.510 0.062 0.000 1.109 28 N CA 1.143 54.121 53.050 -0.121 0.000 0.855 28 N CB 0.973 39.302 38.487 -0.263 0.000 0.974 28 N HN 0.421 nan 8.380 nan 0.000 0.482 29 G N 0.012 108.897 108.800 0.143 0.000 2.162 29 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 29 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 29 G C -0.268 174.840 174.900 0.347 0.000 0.976 29 G CA 0.370 45.617 45.100 0.246 0.000 0.655 29 G HN 0.534 nan 8.290 nan 0.000 0.533 30 E N -0.021 120.347 120.200 0.281 0.000 2.280 30 E HA 0.639 4.989 4.350 0.000 0.000 0.264 30 E C 0.480 177.254 176.600 0.289 0.000 1.064 30 E CA -0.232 56.325 56.400 0.261 0.000 0.900 30 E CB 1.236 31.033 29.700 0.161 0.000 1.123 30 E HN 0.566 nan 8.360 nan 0.000 0.418 31 A N 1.088 124.041 122.820 0.222 0.000 2.309 31 A HA 0.515 4.835 4.320 0.000 0.000 0.290 31 A C 0.116 177.786 177.584 0.142 0.000 1.206 31 A CA -0.126 52.045 52.037 0.223 0.000 0.850 31 A CB 0.382 19.468 19.000 0.143 0.000 1.118 31 A HN 0.547 nan 8.150 nan 0.000 0.523 32 G N 1.723 110.635 108.800 0.185 0.000 2.417 32 G HA2 0.488 4.448 3.960 0.000 0.000 0.320 32 G HA3 0.488 4.448 3.960 0.000 0.000 0.320 32 G C -0.261 174.722 174.900 0.140 0.000 1.204 32 G CA -0.509 44.667 45.100 0.126 0.000 0.923 32 G HN 0.908 nan 8.290 nan 0.000 0.466 33 Q N 2.167 122.008 119.800 0.069 0.000 2.332 33 Q HA 0.338 4.678 4.340 0.000 0.000 0.263 33 Q C 0.210 176.214 176.000 0.007 0.000 0.979 33 Q CA 0.124 55.948 55.803 0.035 0.000 0.885 33 Q CB 0.934 29.642 28.738 -0.051 0.000 1.218 33 Q HN 0.493 nan 8.270 nan 0.000 0.405 34 I N 2.524 123.083 120.570 -0.017 0.000 3.136 34 I HA 0.227 4.397 4.170 0.000 0.000 0.262 34 I C -0.323 175.781 176.117 -0.023 0.000 1.132 34 I CA -0.057 61.216 61.300 -0.045 0.000 1.450 34 I CB 0.432 38.364 38.000 -0.112 0.000 1.315 34 I HN 0.669 nan 8.210 nan 0.000 0.460 35 Y N 0.196 120.344 120.300 -0.253 0.000 2.521 35 Y HA 0.483 5.033 4.550 0.000 0.000 0.332 35 Y C -2.091 173.711 175.900 -0.163 0.000 1.121 35 Y CA -1.385 56.588 58.100 -0.212 0.000 1.037 35 Y CB 1.392 39.687 38.460 -0.276 0.000 1.330 35 Y HN 0.009 nan 8.280 nan 0.000 0.452 36 Y N 4.814 124.490 120.300 -1.040 0.000 2.361 36 Y HA 0.778 5.329 4.550 0.000 0.000 0.328 36 Y C -0.421 174.868 175.900 -1.018 0.000 1.044 36 Y CA -0.438 57.132 58.100 -0.884 0.000 1.085 36 Y CB 1.652 39.840 38.460 -0.454 0.000 1.194 36 Y HN 1.010 nan 8.280 nan 0.000 0.438 37 G N 4.833 112.962 108.800 -1.118 0.000 2.360 37 G HA2 0.208 4.168 3.960 0.000 0.000 0.276 37 G HA3 0.208 4.168 3.960 0.000 0.000 0.276 37 G C -3.323 171.219 174.900 -0.596 0.000 1.256 37 G CA -1.013 43.370 45.100 -1.195 0.000 0.890 37 G HN 0.306 nan 8.290 nan 0.000 0.486 38 P HA 0.254 nan 4.420 nan 0.000 0.264 38 P C 0.126 177.557 177.300 0.219 0.000 1.183 38 P CA 0.015 63.175 63.100 0.100 0.000 0.763 38 P CB 0.400 32.196 31.700 0.159 0.000 0.807 39 R N 3.883 124.510 120.500 0.212 0.000 2.566 39 R HA 0.103 4.443 4.340 0.000 0.000 0.273 39 R C 0.266 176.693 176.300 0.212 0.000 0.981 39 R CA 0.542 56.774 56.100 0.219 0.000 1.091 39 R CB -0.420 29.971 30.300 0.152 0.000 0.924 39 R HN 0.520 nan 8.270 nan 0.000 0.411 40 I N -0.599 120.119 120.570 0.247 0.000 3.145 40 I HA 0.389 4.559 4.170 0.000 0.000 0.313 40 I C -0.923 175.337 176.117 0.239 0.000 1.122 40 I CA -1.401 60.026 61.300 0.211 0.000 0.987 40 I CB 1.839 39.892 38.000 0.087 0.000 1.236 40 I HN 0.554 nan 8.210 nan 0.000 0.453 41 H N 1.882 121.027 119.070 0.124 0.000 2.848 41 H HA 0.269 4.825 4.556 0.000 0.000 0.341 41 H C -0.350 175.046 175.328 0.115 0.000 1.060 41 H CA 0.179 56.264 56.048 0.061 0.000 1.444 41 H CB 0.985 30.763 29.762 0.027 0.000 1.446 41 H HN 0.385 nan 8.280 nan 0.000 0.583 42 V N 5.439 125.317 119.914 -0.059 0.000 2.493 42 V HA -0.031 4.089 4.120 0.000 0.000 0.292 42 V C 0.304 176.397 176.094 -0.001 0.000 1.016 42 V CA 0.451 62.676 62.300 -0.124 0.000 1.097 42 V CB 0.034 31.572 31.823 -0.475 0.000 0.947 42 V HN 0.697 nan 8.190 nan 0.000 0.479 43 Q N 5.928 125.732 119.800 0.006 0.000 2.387 43 Q HA 0.381 4.721 4.340 0.000 0.000 0.273 43 Q C -1.841 173.988 176.000 -0.285 0.000 1.089 43 Q CA -1.896 53.755 55.803 -0.254 0.000 0.824 43 Q CB 2.008 30.391 28.738 -0.593 0.000 1.367 43 Q HN 0.324 nan 8.270 nan 0.000 0.443 44 P HA -0.067 nan 4.420 nan 0.000 0.218 44 P C 0.223 177.393 177.300 -0.218 0.000 1.149 44 P CA 1.264 64.255 63.100 -0.181 0.000 0.817 44 P CB 0.448 32.065 31.700 -0.138 0.000 0.785 45 T N -2.657 111.675 114.554 -0.369 0.000 2.840 45 T HA 0.438 4.788 4.350 0.000 0.000 0.317 45 T C -1.969 172.398 174.700 -0.555 0.000 1.401 45 T CA -0.557 61.362 62.100 -0.302 0.000 1.028 45 T CB 0.521 69.314 68.868 -0.125 0.000 1.317 45 T HN -0.290 nan 8.240 nan 0.000 0.495 46 Y N 3.009 123.301 120.300 -0.014 0.000 2.638 46 Y HA 0.280 4.830 4.550 0.000 0.000 0.367 46 Y C 1.862 177.754 175.900 -0.013 0.000 1.001 46 Y CA -0.741 57.348 58.100 -0.019 0.000 1.133 46 Y CB 0.662 39.106 38.460 -0.026 0.000 1.199 46 Y HN 0.591 nan 8.280 nan 0.000 0.642 47 Q N -0.160 119.673 119.800 0.055 0.000 2.061 47 Q HA -0.270 4.070 4.340 0.000 0.000 0.204 47 Q C 1.586 177.617 176.000 0.052 0.000 0.984 47 Q CA 1.959 57.790 55.803 0.046 0.000 0.846 47 Q CB -0.217 28.531 28.738 0.016 0.000 0.902 47 Q HN 0.587 nan 8.270 nan 0.000 0.421 48 N N 0.958 119.687 118.700 0.048 0.000 2.005 48 N HA -0.156 4.584 4.740 0.000 0.000 0.199 48 N C 0.708 176.242 175.510 0.039 0.000 1.054 48 N CA 1.045 54.117 53.050 0.037 0.000 0.864 48 N CB -0.351 38.156 38.487 0.034 0.000 1.063 48 N HN 0.098 nan 8.380 nan 0.000 0.428 52 Q N 1.337 121.128 119.800 -0.015 0.000 2.353 52 Q HA 0.589 4.929 4.340 0.000 0.000 0.268 52 Q C -1.205 174.796 176.000 0.002 0.000 1.045 52 Q CA -0.748 55.033 55.803 -0.036 0.000 0.811 52 Q CB 2.529 31.241 28.738 -0.043 0.000 1.305 52 Q HN 0.584 nan 8.270 nan 0.000 0.447 53 E N 1.461 121.652 120.200 -0.014 0.000 2.293 53 E HA 0.179 4.529 4.350 0.000 0.000 0.270 53 E C -1.216 175.426 176.600 0.070 0.000 0.879 53 E CA -0.811 55.615 56.400 0.044 0.000 0.756 53 E CB 2.066 31.778 29.700 0.020 0.000 1.208 53 E HN 0.524 nan 8.360 nan 0.000 0.428 54 W N 4.565 125.851 121.300 -0.024 0.000 2.343 54 W HA -0.002 4.658 4.660 0.000 0.000 0.337 54 W C -0.977 175.535 176.519 -0.012 0.000 1.320 54 W CA 0.475 57.815 57.345 -0.008 0.000 1.290 54 W CB 0.495 29.960 29.460 0.010 0.000 1.206 54 W HN 0.403 nan 8.180 nan 0.000 0.565 55 R N 4.832 124.846 120.500 -0.811 0.000 2.621 55 R HA 0.239 4.579 4.340 0.000 0.000 0.292 55 R C -0.127 175.512 176.300 -1.101 0.000 0.969 55 R CA -0.825 54.847 56.100 -0.714 0.000 0.887 55 R CB 1.399 31.504 30.300 -0.325 0.000 1.180 55 R HN 0.513 nan 8.270 nan 0.000 0.450 56 D N 0.993 121.031 120.400 -0.603 0.000 2.360 56 D HA 0.197 4.837 4.640 0.000 0.000 0.242 56 D C 0.560 176.729 176.300 -0.218 0.000 1.184 56 D CA 0.348 54.147 54.000 -0.334 0.000 0.930 56 D CB 0.862 41.682 40.800 0.034 0.000 1.161 56 D HN 0.571 nan 8.370 nan 0.000 0.447 57 A N 0.472 123.226 122.820 -0.110 0.000 2.869 57 A HA -0.162 4.158 4.320 0.000 0.000 0.280 57 A C 0.401 177.939 177.584 -0.078 0.000 1.458 57 A CA 1.421 53.420 52.037 -0.063 0.000 0.776 57 A CB -1.922 17.046 19.000 -0.055 0.000 1.028 57 A HN 0.476 nan 8.150 nan 0.000 0.547 58 T N -0.664 113.828 114.554 -0.102 0.000 2.993 58 T HA 0.589 4.939 4.350 0.000 0.000 0.312 58 T C -3.008 171.695 174.700 0.004 0.000 1.115 58 T CA -0.919 61.163 62.100 -0.030 0.000 1.027 58 T CB 1.316 70.165 68.868 -0.032 0.000 1.116 58 T HN 0.141 nan 8.240 nan 0.000 0.464 59 P HA 0.354 nan 4.420 nan 0.000 0.268 59 P C -1.087 176.282 177.300 0.115 0.000 1.208 59 P CA -0.196 62.978 63.100 0.123 0.000 0.777 59 P CB 0.480 32.273 31.700 0.155 0.000 0.875 60 S N 1.296 117.084 115.700 0.147 0.000 2.536 60 S HA 0.253 4.723 4.470 0.000 0.000 0.298 60 S C 1.066 175.770 174.600 0.172 0.000 1.083 60 S CA -0.771 57.544 58.200 0.191 0.000 0.995 60 S CB 1.210 64.558 63.200 0.248 0.000 1.058 60 S HN 0.418 nan 8.310 nan 0.000 0.488 61 L N 1.564 122.913 121.223 0.211 0.000 1.991 61 L HA -0.214 4.126 4.340 0.000 0.000 0.221 61 L C 0.298 177.192 176.870 0.040 0.000 1.079 61 L CA 2.337 57.224 54.840 0.079 0.000 0.778 61 L CB -0.487 41.507 42.059 -0.108 0.000 0.893 61 L HN 0.976 nan 8.230 nan 0.000 0.437 62 N N -4.528 114.208 118.700 0.060 0.000 3.356 62 N HA 0.012 4.752 4.740 0.000 0.000 0.246 62 N C 0.028 175.579 175.510 0.068 0.000 1.480 62 N CA -0.603 52.477 53.050 0.050 0.000 0.877 62 N CB 0.155 38.651 38.487 0.015 0.000 1.431 62 N HN -0.238 nan 8.380 nan 0.000 0.500 63 E N 0.077 120.308 120.200 0.053 0.000 2.267 63 E HA -0.137 4.214 4.350 0.000 0.000 0.197 63 E C 0.245 176.870 176.600 0.042 0.000 0.998 63 E CA 1.194 57.624 56.400 0.050 0.000 0.830 63 E CB -0.071 29.650 29.700 0.035 0.000 0.751 63 E HN 0.698 nan 8.360 nan 0.000 0.491 64 E N 0.035 120.258 120.200 0.038 0.000 2.442 64 E HA 0.060 4.410 4.350 0.000 0.000 0.195 64 E C 0.263 176.894 176.600 0.052 0.000 1.030 64 E CA 0.097 56.517 56.400 0.033 0.000 0.869 64 E CB 0.337 30.049 29.700 0.020 0.000 0.857 64 E HN 0.055 nan 8.360 nan 0.000 0.505 65 N N 0.767 119.514 118.700 0.077 0.000 2.723 65 N HA 0.089 4.829 4.740 0.000 0.000 0.290 65 N C -2.265 173.365 175.510 0.200 0.000 1.882 65 N CA -0.832 52.296 53.050 0.131 0.000 0.851 65 N CB 1.262 39.818 38.487 0.114 0.000 1.234 65 N HN 0.026 nan 8.380 nan 0.000 0.491 66 P HA -0.152 nan 4.420 nan 0.000 0.217 66 P C 0.602 178.157 177.300 0.426 0.000 1.148 66 P CA 1.423 64.698 63.100 0.291 0.000 0.828 66 P CB 0.347 32.134 31.700 0.145 0.000 0.783 67 N N -1.975 116.923 118.700 0.330 0.000 2.422 67 N HA -0.011 4.729 4.740 0.000 0.000 0.181 67 N C 0.095 175.729 175.510 0.207 0.000 1.080 67 N CA -0.294 52.934 53.050 0.297 0.000 0.893 67 N CB -0.211 38.405 38.487 0.215 0.000 0.973 67 N HN 0.052 nan 8.380 nan 0.000 0.456 68 F N 2.942 122.957 119.950 0.109 0.000 2.434 68 F HA 0.163 4.690 4.527 0.000 0.000 0.358 68 F C -0.419 175.416 175.800 0.058 0.000 1.136 68 F CA -0.181 57.862 58.000 0.071 0.000 1.157 68 F CB 0.150 39.191 39.000 0.068 0.000 1.167 68 F HN -0.093 nan 8.300 nan 0.000 0.539 69 Q N 7.876 127.651 119.800 -0.041 0.000 2.294 69 Q HA 0.231 4.571 4.340 0.000 0.000 0.264 69 Q C -2.109 173.846 176.000 -0.075 0.000 0.992 69 Q CA -1.878 53.931 55.803 0.010 0.000 0.747 69 Q CB 1.905 30.612 28.738 -0.051 0.000 1.262 69 Q HN 0.346 nan 8.270 nan 0.000 0.452 70 P HA -0.241 nan 4.420 nan 0.000 0.218 70 P C 0.991 178.275 177.300 -0.028 0.000 1.146 70 P CA 1.410 64.502 63.100 -0.012 0.000 0.813 70 P CB 0.269 31.987 31.700 0.030 0.000 0.778 71 A N -0.627 122.200 122.820 0.012 0.000 2.070 71 A HA -0.120 4.200 4.320 0.000 0.000 0.220 71 A C 1.773 179.375 177.584 0.029 0.000 1.159 71 A CA 2.054 54.133 52.037 0.070 0.000 0.656 71 A CB -1.484 17.603 19.000 0.146 0.000 0.800 71 A HN 0.356 nan 8.150 nan 0.000 0.453 72 T N -2.979 111.518 114.554 -0.095 0.000 3.215 72 T HA 0.632 4.982 4.350 0.000 0.000 0.271 72 T C -0.023 174.571 174.700 -0.177 0.000 1.012 72 T CA -0.255 61.727 62.100 -0.196 0.000 0.899 72 T CB -0.473 68.191 68.868 -0.339 0.000 1.089 72 T HN 0.173 nan 8.240 nan 0.000 0.552 73 I N 1.618 122.105 120.570 -0.139 0.000 2.447 73 I HA 0.361 4.531 4.170 0.000 0.000 0.287 73 I C -0.353 175.716 176.117 -0.081 0.000 1.023 73 I CA -1.091 60.120 61.300 -0.149 0.000 1.083 73 I CB 2.354 40.211 38.000 -0.240 0.000 1.245 73 I HN -0.039 nan 8.210 nan 0.000 0.434 74 K N 5.162 125.526 120.400 -0.061 0.000 2.368 74 K HA 0.606 4.926 4.320 0.000 0.000 0.282 74 K C -0.328 176.261 176.600 -0.018 0.000 1.035 74 K CA -0.221 56.044 56.287 -0.036 0.000 0.973 74 K CB 1.084 33.564 32.500 -0.033 0.000 0.957 74 K HN 0.634 nan 8.250 nan 0.000 0.474 75 A N 2.478 125.289 122.820 -0.014 0.000 2.386 75 A HA 0.252 4.572 4.320 0.000 0.000 0.311 75 A C 0.363 177.952 177.584 0.008 0.000 1.068 75 A CA -0.700 51.339 52.037 0.002 0.000 0.743 75 A CB 1.104 20.100 19.000 -0.006 0.000 1.258 75 A HN 0.712 nan 8.150 nan 0.000 0.429 76 E N 0.116 120.324 120.200 0.012 0.000 2.076 76 E HA -0.033 4.317 4.350 0.000 0.000 0.190 76 E C -0.869 175.805 176.600 0.123 0.000 0.979 76 E CA 1.649 58.061 56.400 0.021 0.000 0.807 76 E CB 0.033 29.665 29.700 -0.113 0.000 0.761 76 E HN 0.570 nan 8.360 nan 0.000 0.454 77 Y N -0.582 119.667 120.300 -0.085 0.000 2.347 77 Y HA 0.413 4.963 4.550 0.000 0.000 0.339 77 Y C -1.066 174.873 175.900 0.065 0.000 1.152 77 Y CA -0.726 57.352 58.100 -0.036 0.000 1.321 77 Y CB 0.670 39.041 38.460 -0.149 0.000 1.137 77 Y HN -0.100 nan 8.280 nan 0.000 0.486 78 A N 2.557 125.334 122.820 -0.071 0.000 2.295 78 A HA 0.812 5.132 4.320 0.000 0.000 0.318 78 A C -0.212 177.224 177.584 -0.246 0.000 1.134 78 A CA -0.116 51.875 52.037 -0.077 0.000 0.827 78 A CB 0.647 19.586 19.000 -0.101 0.000 1.136 78 A HN 0.716 nan 8.150 nan 0.000 0.493 79 S N 0.717 116.244 115.700 -0.288 0.000 2.681 79 S HA 0.675 5.145 4.470 0.000 0.000 0.299 79 S C -0.508 173.874 174.600 -0.364 0.000 1.113 79 S CA -0.659 57.207 58.200 -0.556 0.000 1.013 79 S CB 1.161 64.088 63.200 -0.455 0.000 1.076 79 S HN 1.270 nan 8.310 nan 0.000 0.534 80 L N 1.340 122.341 121.223 -0.369 0.000 2.312 80 L HA 0.747 5.087 4.340 0.000 0.000 0.281 80 L C 0.861 177.576 176.870 -0.259 0.000 1.070 80 L CA 1.465 56.132 54.840 -0.289 0.000 0.805 80 L CB 0.479 42.400 42.059 -0.231 0.000 1.174 80 L HN 1.226 nan 8.230 nan 0.000 0.434 81 G N 3.315 111.934 108.800 -0.301 0.000 2.205 81 G HA2 -0.182 3.778 3.960 0.000 0.000 0.180 81 G HA3 -0.182 3.778 3.960 0.000 0.000 0.180 81 G C 0.708 175.486 174.900 -0.203 0.000 1.004 81 G CA 0.078 45.039 45.100 -0.232 0.000 0.670 81 G HN 0.547 nan 8.290 nan 0.000 0.496 82 K N 0.258 120.526 120.400 -0.220 0.000 2.373 82 K HA 0.444 4.764 4.320 0.000 0.000 0.202 82 K C 1.584 178.105 176.600 -0.130 0.000 1.025 82 K CA 0.658 56.869 56.287 -0.127 0.000 1.115 82 K CB 1.282 33.745 32.500 -0.061 0.000 0.858 82 K HN 1.191 nan 8.250 nan 0.000 0.525 83 G N 1.397 110.021 108.800 -0.293 0.000 2.318 83 G HA2 -0.172 3.788 3.960 0.000 0.000 0.172 83 G HA3 -0.172 3.788 3.960 0.000 0.000 0.172 83 G C -0.523 174.213 174.900 -0.273 0.000 1.002 83 G CA -0.434 44.538 45.100 -0.214 0.000 0.697 83 G HN 0.249 nan 8.290 nan 0.000 0.483 84 D N -0.053 120.125 120.400 -0.370 0.000 2.280 84 D HA 0.644 5.284 4.640 0.000 0.000 0.236 84 D C 0.382 176.422 176.300 -0.435 0.000 1.082 84 D CA -0.653 53.200 54.000 -0.244 0.000 0.834 84 D CB 0.537 41.247 40.800 -0.150 0.000 1.100 84 D HN 0.049 nan 8.370 nan 0.000 0.486 85 F N 1.700 121.624 119.950 -0.043 0.000 2.653 85 F HA 0.295 4.822 4.527 0.000 0.000 0.304 85 F C 1.354 177.117 175.800 -0.063 0.000 1.092 85 F CA -0.525 57.442 58.000 -0.054 0.000 1.279 85 F CB 0.287 39.258 39.000 -0.048 0.000 1.044 85 F HN -0.039 nan 8.300 nan 0.000 0.564 86 R N 1.056 121.591 120.500 0.058 0.000 2.738 86 R HA 0.122 4.462 4.340 0.000 0.000 0.268 86 R C 0.436 176.706 176.300 -0.050 0.000 1.062 86 R CA -0.505 55.595 56.100 -0.000 0.000 1.158 86 R CB 0.335 30.624 30.300 -0.019 0.000 1.046 86 R HN 0.064 nan 8.270 nan 0.000 0.493 87 Q N 2.617 122.381 119.800 -0.060 0.000 2.304 87 Q HA 0.040 4.380 4.340 0.000 0.000 0.301 87 Q C -2.004 173.920 176.000 -0.127 0.000 1.063 87 Q CA -0.716 55.034 55.803 -0.089 0.000 0.947 87 Q CB 0.227 28.914 28.738 -0.084 0.000 1.201 87 Q HN 0.388 nan 8.270 nan 0.000 0.389 88 P HA 0.235 nan 4.420 nan 0.000 0.283 88 P C -0.597 176.555 177.300 -0.247 0.000 1.271 88 P CA -0.354 62.601 63.100 -0.242 0.000 0.841 88 P CB 0.960 32.466 31.700 -0.324 0.000 1.122 89 A N 0.974 123.594 122.820 -0.333 0.000 2.072 89 A HA 0.273 4.593 4.320 0.000 0.000 0.216 89 A C 0.577 178.038 177.584 -0.206 0.000 1.156 89 A CA 0.956 52.753 52.037 -0.400 0.000 0.701 89 A CB -0.847 17.605 19.000 -0.914 0.000 0.816 89 A HN 0.635 nan 8.150 nan 0.000 0.458 90 F N -3.480 116.280 119.950 -0.316 0.000 2.711 90 F HA 0.727 5.254 4.527 0.000 0.000 0.313 90 F C -1.132 174.627 175.800 -0.068 0.000 1.141 90 F CA -1.357 56.588 58.000 -0.092 0.000 0.941 90 F CB 1.008 40.100 39.000 0.154 0.000 1.349 90 F HN -0.037 nan 8.300 nan 0.000 0.464 91 Q N 1.627 121.401 119.800 -0.043 0.000 2.309 91 Q HA 0.703 5.043 4.340 0.000 0.000 0.273 91 Q C -2.368 173.659 176.000 0.045 0.000 1.040 91 Q CA -0.891 54.825 55.803 -0.146 0.000 0.834 91 Q CB 3.072 31.728 28.738 -0.136 0.000 1.345 91 Q HN 0.792 nan 8.270 nan 0.000 0.414 92 V N 2.663 122.615 119.914 0.065 0.000 2.443 92 V HA 0.402 4.522 4.120 0.000 0.000 0.293 92 V C -0.401 175.709 176.094 0.027 0.000 1.021 92 V CA -0.649 61.698 62.300 0.078 0.000 0.848 92 V CB 1.721 33.651 31.823 0.178 0.000 0.998 92 V HN 0.812 nan 8.190 nan 0.000 0.424 93 T N 5.450 120.001 114.554 -0.005 0.000 2.780 93 T HA 0.394 4.744 4.350 0.000 0.000 0.294 93 T C 0.075 174.774 174.700 -0.003 0.000 0.949 93 T CA -0.254 61.838 62.100 -0.012 0.000 1.074 93 T CB 0.868 69.717 68.868 -0.032 0.000 0.910 93 T HN 0.703 nan 8.240 nan 0.000 0.501 94 Q N 1.138 120.941 119.800 0.005 0.000 2.237 94 Q HA 0.560 4.900 4.340 0.000 0.000 0.219 94 Q C 1.637 177.637 176.000 -0.001 0.000 0.999 94 Q CA -0.770 55.039 55.803 0.009 0.000 0.959 94 Q CB 0.534 29.283 28.738 0.018 0.000 1.173 94 Q HN 0.732 nan 8.270 nan 0.000 0.527 95 A N 1.362 124.183 122.820 0.002 0.000 2.019 95 A HA -0.200 4.120 4.320 0.000 0.000 0.219 95 A C 1.432 179.015 177.584 -0.003 0.000 1.164 95 A CA 1.867 53.902 52.037 -0.003 0.000 0.644 95 A CB -0.704 18.296 19.000 -0.000 0.000 0.805 95 A HN 0.822 nan 8.150 nan 0.000 0.449 96 N N -1.081 117.620 118.700 0.001 0.000 2.449 96 N HA 0.228 4.968 4.740 0.000 0.000 0.191 96 N C 1.042 176.551 175.510 -0.002 0.000 1.161 96 N CA 1.296 54.346 53.050 0.001 0.000 0.863 96 N CB -0.298 38.192 38.487 0.005 0.000 0.980 96 N HN 0.731 nan 8.380 nan 0.000 0.458 97 G N -0.754 108.043 108.800 -0.005 0.000 2.253 97 G HA2 -0.319 3.641 3.960 0.000 0.000 0.251 97 G HA3 -0.319 3.641 3.960 0.000 0.000 0.251 97 G C 0.153 175.047 174.900 -0.009 0.000 0.998 97 G CA 0.445 45.539 45.100 -0.009 0.000 0.621 97 G HN 0.803 nan 8.290 nan 0.000 0.524 98 S N 0.015 115.712 115.700 -0.004 0.000 2.579 98 S HA 0.558 5.028 4.470 0.000 0.000 0.275 98 S C 1.146 175.742 174.600 -0.006 0.000 1.345 98 S CA 0.818 59.016 58.200 -0.004 0.000 1.031 98 S CB 0.660 63.862 63.200 0.003 0.000 0.892 98 S HN 0.512 nan 8.310 nan 0.000 0.529 99 R N 1.730 122.221 120.500 -0.015 0.000 2.616 99 R HA 0.299 4.639 4.340 0.000 0.000 0.427 99 R C -0.660 175.618 176.300 -0.037 0.000 1.030 99 R CA -0.459 55.624 56.100 -0.028 0.000 1.133 99 R CB 0.299 30.571 30.300 -0.047 0.000 1.444 99 R HN 0.469 nan 8.270 nan 0.000 0.578 100 I N 1.212 121.773 120.570 -0.015 0.000 2.532 100 I HA 0.270 4.440 4.170 0.000 0.000 0.292 100 I C 0.403 176.538 176.117 0.031 0.000 1.014 100 I CA -0.002 61.289 61.300 -0.014 0.000 1.340 100 I CB 1.385 39.382 38.000 -0.005 0.000 1.422 100 I HN -0.091 nan 8.210 nan 0.000 0.528 101 T N 4.923 119.503 114.554 0.043 0.000 3.011 101 T HA 0.319 4.669 4.350 0.000 0.000 0.303 101 T C -0.379 174.399 174.700 0.129 0.000 0.997 101 T CA -0.639 61.543 62.100 0.137 0.000 1.007 101 T CB 1.298 70.349 68.868 0.304 0.000 1.017 101 T HN 0.468 nan 8.240 nan 0.000 0.443 102 E N 3.259 123.534 120.200 0.124 0.000 2.751 102 E HA 0.289 4.639 4.350 0.000 0.000 0.219 102 E C -0.222 176.457 176.600 0.133 0.000 1.060 102 E CA -0.394 56.071 56.400 0.108 0.000 0.893 102 E CB 0.720 30.466 29.700 0.076 0.000 1.300 102 E HN 0.502 nan 8.360 nan 0.000 0.433 103 L N 1.593 122.905 121.223 0.149 0.000 2.525 103 L HA 0.102 4.442 4.340 0.000 0.000 0.278 103 L C 0.410 177.421 176.870 0.236 0.000 1.218 103 L CA 0.635 55.569 54.840 0.156 0.000 0.878 103 L CB 0.200 42.260 42.059 0.003 0.000 1.127 103 L HN 0.287 nan 8.230 nan 0.000 0.492 104 T N 1.608 116.356 114.554 0.322 0.000 2.881 104 T HA 0.233 4.583 4.350 0.000 0.000 0.290 104 T C -0.762 174.171 174.700 0.388 0.000 1.000 104 T CA -0.467 61.835 62.100 0.336 0.000 0.978 104 T CB 1.035 70.018 68.868 0.192 0.000 0.997 104 T HN 0.291 nan 8.240 nan 0.000 0.443 105 Y N 2.443 122.889 120.300 0.243 0.000 2.610 105 Y HA 0.200 4.750 4.550 0.000 0.000 0.332 105 Y C 0.798 176.655 175.900 -0.071 0.000 1.201 105 Y CA 0.277 58.309 58.100 -0.112 0.000 1.465 105 Y CB 0.698 39.141 38.460 -0.028 0.000 1.283 105 Y HN 0.816 nan 8.280 nan 0.000 0.563 106 D N 2.055 121.844 120.400 -1.018 0.000 3.194 106 D HA 0.039 4.679 4.640 0.000 0.000 0.290 106 D C -0.480 175.327 176.300 -0.821 0.000 1.280 106 D CA 0.895 54.502 54.000 -0.654 0.000 1.058 106 D CB 0.311 40.999 40.800 -0.187 0.000 1.241 106 D HN 0.728 nan 8.370 nan 0.000 0.421 107 H N -2.340 116.209 119.070 -0.869 0.000 2.966 107 H HA 0.398 4.954 4.556 0.000 0.000 0.330 107 H C -1.447 173.854 175.328 -0.045 0.000 1.292 107 H CA -0.932 54.878 56.048 -0.397 0.000 1.127 107 H CB 0.531 30.161 29.762 -0.219 0.000 1.863 107 H HN 0.196 nan 8.280 nan 0.000 0.543 108 Y N -0.338 120.062 120.300 0.167 0.000 2.605 108 Y HA 0.612 5.162 4.550 0.000 0.000 0.343 108 Y C -1.274 174.739 175.900 0.188 0.000 1.036 108 Y CA -1.063 57.142 58.100 0.175 0.000 1.065 108 Y CB 2.233 40.950 38.460 0.428 0.000 1.288 108 Y HN 0.799 nan 8.280 nan 0.000 0.481 109 Q N 2.573 122.504 119.800 0.218 0.000 2.289 109 Q HA 0.500 4.840 4.340 0.000 0.000 0.270 109 Q C -2.337 173.806 176.000 0.239 0.000 1.038 109 Q CA -0.871 54.982 55.803 0.083 0.000 0.812 109 Q CB 2.345 31.128 28.738 0.075 0.000 1.300 109 Q HN 0.982 nan 8.270 nan 0.000 0.427 110 L N 6.210 127.544 121.223 0.186 0.000 2.353 110 L HA 0.497 4.837 4.340 0.000 0.000 0.270 110 L C -1.248 175.669 176.870 0.079 0.000 1.003 110 L CA -0.466 54.484 54.840 0.183 0.000 0.862 110 L CB 0.847 43.049 42.059 0.238 0.000 1.221 110 L HN 0.657 nan 8.230 nan 0.000 0.430 111 L N 2.597 123.853 121.223 0.055 0.000 2.387 111 L HA 0.520 4.860 4.340 0.000 0.000 0.266 111 L C 0.414 177.282 176.870 -0.003 0.000 1.059 111 L CA -0.575 54.278 54.840 0.021 0.000 0.801 111 L CB 1.760 43.831 42.059 0.021 0.000 1.223 111 L HN 0.414 nan 8.230 nan 0.000 0.456 112 T N 0.707 115.254 114.554 -0.012 0.000 2.875 112 T HA 0.573 4.923 4.350 0.000 0.000 0.284 112 T C 0.359 175.039 174.700 -0.033 0.000 0.995 112 T CA 0.596 62.677 62.100 -0.032 0.000 1.060 112 T CB 1.507 70.360 68.868 -0.025 0.000 0.967 112 T HN 0.982 nan 8.240 nan 0.000 0.476 113 G N 2.185 110.945 108.800 -0.067 0.000 2.542 113 G HA2 0.004 3.964 3.960 0.000 0.000 0.235 113 G HA3 0.004 3.964 3.960 0.000 0.000 0.235 113 G C -0.738 174.123 174.900 -0.065 0.000 1.286 113 G CA 0.155 45.220 45.100 -0.059 0.000 0.904 113 G HN 0.910 nan 8.290 nan 0.000 0.577 114 K N -0.345 120.069 120.400 0.022 0.000 2.592 114 K HA 0.468 4.788 4.320 0.000 0.000 0.265 114 K C -0.748 175.950 176.600 0.163 0.000 1.006 114 K CA -0.378 55.959 56.287 0.085 0.000 0.907 114 K CB 1.129 33.703 32.500 0.123 0.000 1.309 114 K HN 0.654 nan 8.250 nan 0.000 0.452 115 Q N 3.017 122.891 119.800 0.123 0.000 2.222 115 Q HA 0.422 4.762 4.340 0.000 0.000 0.252 115 Q C -0.232 175.851 176.000 0.138 0.000 0.926 115 Q CA -0.705 55.169 55.803 0.119 0.000 0.899 115 Q CB 1.337 30.113 28.738 0.063 0.000 1.250 115 Q HN 0.524 nan 8.270 nan 0.000 0.441 116 R N 0.730 121.314 120.500 0.140 0.000 2.734 116 R HA 0.201 4.541 4.340 0.000 0.000 0.266 116 R C 0.200 176.523 176.300 0.038 0.000 1.044 116 R CA -0.181 55.993 56.100 0.123 0.000 1.128 116 R CB 0.227 30.590 30.300 0.106 0.000 1.010 116 R HN 0.401 nan 8.270 nan 0.000 0.461 117 L N 1.607 122.821 121.223 -0.015 0.000 2.452 117 L HA 0.060 4.400 4.340 0.000 0.000 0.267 117 L C 1.646 178.485 176.870 -0.051 0.000 1.188 117 L CA 0.006 54.817 54.840 -0.049 0.000 0.821 117 L CB 0.704 42.708 42.059 -0.090 0.000 1.102 117 L HN 0.826 nan 8.230 nan 0.000 0.470 118 A N 2.419 125.215 122.820 -0.040 0.000 1.892 118 A HA -0.205 4.115 4.320 0.000 0.000 0.218 118 A C 1.496 179.063 177.584 -0.028 0.000 1.188 118 A CA 2.371 54.393 52.037 -0.025 0.000 0.631 118 A CB -0.539 18.451 19.000 -0.017 0.000 0.822 118 A HN 0.964 nan 8.150 nan 0.000 0.447 119 N N -2.304 116.368 118.700 -0.047 0.000 2.143 119 N HA 0.381 5.121 4.740 0.000 0.000 0.222 119 N C -0.772 174.712 175.510 -0.043 0.000 1.264 119 N CA -0.217 52.817 53.050 -0.026 0.000 0.897 119 N CB 0.836 39.318 38.487 -0.008 0.000 1.092 119 N HN 0.284 nan 8.380 nan 0.000 0.516 120 L N 1.026 122.169 121.223 -0.132 0.000 2.334 120 L HA 0.579 4.919 4.340 0.000 0.000 0.273 120 L C -2.303 174.238 176.870 -0.547 0.000 1.013 120 L CA -2.226 52.462 54.840 -0.253 0.000 0.816 120 L CB 1.326 43.290 42.059 -0.159 0.000 1.278 120 L HN -0.230 nan 8.230 nan 0.000 0.431 121 P HA 0.068 nan 4.420 nan 0.000 0.266 121 P C -0.852 175.939 177.300 -0.848 0.000 1.186 121 P CA 0.107 62.329 63.100 -1.463 0.000 0.767 121 P CB 0.677 31.703 31.700 -1.124 0.000 0.820 122 S N -0.231 115.015 115.700 -0.757 0.000 2.755 122 S HA 0.694 5.164 4.470 0.000 0.000 0.286 122 S C -0.820 173.864 174.600 0.141 0.000 1.207 122 S CA -0.758 57.336 58.200 -0.176 0.000 0.892 122 S CB 0.825 63.959 63.200 -0.110 0.000 1.240 122 S HN 0.516 nan 8.310 nan 0.000 0.525 123 T N -0.502 114.152 114.554 0.166 0.000 2.912 123 T HA 0.870 5.220 4.350 0.000 0.000 0.288 123 T C -0.831 174.043 174.700 0.290 0.000 1.030 123 T CA -0.788 61.372 62.100 0.100 0.000 1.020 123 T CB 0.944 69.855 68.868 0.072 0.000 1.056 123 T HN 1.381 nan 8.240 nan 0.000 0.480 124 F N -1.160 118.943 119.950 0.254 0.000 2.678 124 F HA 0.683 5.210 4.527 0.000 0.000 0.308 124 F C -1.551 174.520 175.800 0.452 0.000 1.118 124 F CA -1.307 56.865 58.000 0.286 0.000 0.959 124 F CB 1.259 40.363 39.000 0.174 0.000 1.305 124 F HN 0.505 nan 8.300 nan 0.000 0.443 125 D N 1.448 122.160 120.400 0.520 0.000 2.485 125 D HA 0.273 4.913 4.640 0.000 0.000 0.229 125 D C -0.520 176.000 176.300 0.366 0.000 1.101 125 D CA -0.107 54.176 54.000 0.472 0.000 0.906 125 D CB 0.526 41.430 40.800 0.173 0.000 1.019 125 D HN 0.548 nan 8.370 nan 0.000 0.516 126 D N 1.742 122.389 120.400 0.411 0.000 2.427 126 D HA 0.059 4.699 4.640 0.000 0.000 0.224 126 D C 0.639 177.020 176.300 0.135 0.000 1.157 126 D CA 0.284 54.417 54.000 0.221 0.000 0.828 126 D CB 0.564 41.465 40.800 0.168 0.000 0.974 126 D HN 0.421 nan 8.370 nan 0.000 0.498 127 T N -3.048 111.598 114.554 0.154 0.000 3.641 127 T HA 0.103 4.453 4.350 0.000 0.000 0.313 127 T C 0.177 174.942 174.700 0.108 0.000 0.952 127 T CA -0.465 61.690 62.100 0.092 0.000 1.004 127 T CB 0.347 69.238 68.868 0.038 0.000 1.209 127 T HN -0.196 nan 8.240 nan 0.000 0.493 128 D N 1.058 121.525 120.400 0.111 0.000 2.800 128 D HA -0.153 4.487 4.640 0.000 0.000 0.232 128 D C 0.141 176.516 176.300 0.125 0.000 1.137 128 D CA 0.947 55.000 54.000 0.088 0.000 0.718 128 D CB -1.327 39.508 40.800 0.058 0.000 1.084 128 D HN 0.521 nan 8.370 nan 0.000 0.432 129 D N 0.302 120.811 120.400 0.181 0.000 2.325 129 D HA 0.053 4.693 4.640 0.000 0.000 0.225 129 D C 0.109 176.495 176.300 0.143 0.000 1.096 129 D CA 0.397 54.557 54.000 0.266 0.000 0.844 129 D CB 0.048 41.124 40.800 0.461 0.000 0.925 129 D HN 0.344 nan 8.370 nan 0.000 0.513 130 D N -0.777 119.645 120.400 0.038 0.000 3.017 130 D HA -0.173 4.467 4.640 0.000 0.000 0.220 130 D C 0.026 176.185 176.300 -0.235 0.000 1.141 130 D CA 0.838 54.794 54.000 -0.074 0.000 0.848 130 D CB -1.557 39.213 40.800 -0.050 0.000 1.102 130 D HN 0.378 nan 8.370 nan 0.000 0.427 131 A N 0.034 122.656 122.820 -0.330 0.000 2.483 131 A HA 0.376 4.696 4.320 0.000 0.000 0.238 131 A C 0.623 177.999 177.584 -0.347 0.000 1.070 131 A CA 0.490 52.167 52.037 -0.601 0.000 0.770 131 A CB 0.711 19.150 19.000 -0.935 0.000 1.008 131 A HN 0.198 nan 8.150 nan 0.000 0.497 132 Q N -0.645 118.962 119.800 -0.322 0.000 2.544 132 Q HA 0.641 4.981 4.340 0.000 0.000 0.291 132 Q C -1.350 174.579 176.000 -0.119 0.000 1.068 132 Q CA -0.693 55.010 55.803 -0.166 0.000 0.785 132 Q CB 2.680 31.348 28.738 -0.117 0.000 1.481 132 Q HN 0.684 nan 8.270 nan 0.000 0.430 133 T N 1.472 116.004 114.554 -0.036 0.000 2.937 133 T HA 0.442 4.792 4.350 0.000 0.000 0.297 133 T C -1.717 173.029 174.700 0.076 0.000 0.991 133 T CA -0.483 61.627 62.100 0.017 0.000 0.990 133 T CB 0.889 69.766 68.868 0.016 0.000 0.991 133 T HN 0.311 nan 8.240 nan 0.000 0.440 134 L N 5.446 126.744 121.223 0.125 0.000 2.313 134 L HA 0.777 5.117 4.340 0.000 0.000 0.283 134 L C -1.098 175.888 176.870 0.193 0.000 1.013 134 L CA -0.470 54.484 54.840 0.190 0.000 0.816 134 L CB 1.249 43.430 42.059 0.204 0.000 1.236 134 L HN 0.431 nan 8.230 nan 0.000 0.419 135 V N 5.913 125.928 119.914 0.168 0.000 2.378 135 V HA 0.490 4.610 4.120 0.000 0.000 0.288 135 V C -0.305 175.840 176.094 0.084 0.000 1.016 135 V CA -0.751 61.605 62.300 0.093 0.000 0.840 135 V CB 1.566 33.411 31.823 0.037 0.000 0.994 135 V HN 0.503 nan 8.190 nan 0.000 0.431 136 V N 3.756 123.694 119.914 0.039 0.000 2.394 136 V HA 0.488 4.608 4.120 0.000 0.000 0.282 136 V C 0.298 176.239 176.094 -0.255 0.000 1.031 136 V CA -0.113 62.144 62.300 -0.072 0.000 0.881 136 V CB 1.713 33.493 31.823 -0.071 0.000 0.982 136 V HN 0.893 nan 8.190 nan 0.000 0.451 137 S N 4.690 120.060 115.700 -0.550 0.000 2.472 137 S HA 0.810 5.280 4.470 0.000 0.000 0.303 137 S C -0.862 173.316 174.600 -0.703 0.000 1.099 137 S CA -0.311 57.543 58.200 -0.578 0.000 1.077 137 S CB 0.937 63.643 63.200 -0.823 0.000 1.031 137 S HN 0.450 nan 8.310 nan 0.000 0.487 138 F N 1.459 121.305 119.950 -0.173 0.000 2.561 138 F HA 0.490 5.017 4.527 0.000 0.000 0.321 138 F C 0.336 176.098 175.800 -0.063 0.000 1.065 138 F CA -0.963 56.984 58.000 -0.088 0.000 0.934 138 F CB 1.564 40.536 39.000 -0.046 0.000 1.215 138 F HN 0.443 nan 8.300 nan 0.000 0.471 139 N N 0.384 119.181 118.700 0.163 0.000 2.342 139 N HA 0.194 4.934 4.740 0.000 0.000 0.293 139 N C -1.786 173.809 175.510 0.140 0.000 1.026 139 N CA -0.875 52.247 53.050 0.120 0.000 0.857 139 N CB 1.358 39.892 38.487 0.078 0.000 1.256 139 N HN 0.486 nan 8.380 nan 0.000 0.484 140 D N 1.319 121.794 120.400 0.125 0.000 2.401 140 D HA 0.041 4.681 4.640 0.000 0.000 0.254 140 D C 0.899 177.260 176.300 0.101 0.000 1.192 140 D CA 0.344 54.419 54.000 0.125 0.000 0.885 140 D CB 0.735 41.614 40.800 0.133 0.000 1.147 140 D HN 0.414 nan 8.370 nan 0.000 0.478 141 R N 3.148 123.706 120.500 0.095 0.000 2.115 141 R HA -0.050 4.290 4.340 0.000 0.000 0.230 141 R C 1.876 178.215 176.300 0.065 0.000 1.111 141 R CA 0.791 56.936 56.100 0.075 0.000 0.976 141 R CB 0.031 30.372 30.300 0.068 0.000 0.870 141 R HN 0.592 nan 8.270 nan 0.000 0.445 142 I N -0.215 120.397 120.570 0.070 0.000 2.141 142 I HA -0.233 3.937 4.170 0.000 0.000 0.236 142 I C 2.480 178.633 176.117 0.060 0.000 1.071 142 I CA 1.787 63.123 61.300 0.060 0.000 1.345 142 I CB -0.332 37.704 38.000 0.060 0.000 1.066 142 I HN 0.248 nan 8.210 nan 0.000 0.406 143 T N -2.490 112.108 114.554 0.072 0.000 3.037 143 T HA 0.274 4.624 4.350 0.000 0.000 0.251 143 T C 1.556 176.298 174.700 0.069 0.000 1.079 143 T CA 0.518 62.660 62.100 0.070 0.000 1.067 143 T CB 0.646 69.562 68.868 0.080 0.000 0.948 143 T HN 0.569 nan 8.240 nan 0.000 0.496 144 G N 1.475 110.319 108.800 0.074 0.000 2.179 144 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 144 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 144 G C 0.010 174.958 174.900 0.081 0.000 0.977 144 G CA 0.209 45.351 45.100 0.070 0.000 0.641 144 G HN 0.937 nan 8.290 nan 0.000 0.533 145 L N 0.882 122.165 121.223 0.099 0.000 2.453 145 L HA 0.637 4.977 4.340 0.000 0.000 0.272 145 L C 0.628 177.561 176.870 0.104 0.000 1.182 145 L CA 0.288 55.199 54.840 0.118 0.000 0.858 145 L CB 0.716 42.868 42.059 0.156 0.000 1.120 145 L HN 0.704 nan 8.230 nan 0.000 0.474 146 A N 5.944 128.818 122.820 0.091 0.000 2.305 146 A HA 0.671 4.991 4.320 0.000 0.000 0.322 146 A C -1.025 176.555 177.584 -0.008 0.000 1.187 146 A CA -0.615 51.455 52.037 0.054 0.000 0.825 146 A CB 1.192 20.222 19.000 0.049 0.000 1.164 146 A HN 0.751 nan 8.150 nan 0.000 0.498 147 L N 1.883 123.074 121.223 -0.054 0.000 2.385 147 L HA 0.603 4.943 4.340 0.000 0.000 0.273 147 L C -1.622 175.161 176.870 -0.145 0.000 0.990 147 L CA -0.227 54.464 54.840 -0.247 0.000 0.821 147 L CB 2.100 43.913 42.059 -0.410 0.000 1.279 147 L HN 0.578 nan 8.230 nan 0.000 0.412 148 D N 5.843 126.089 120.400 -0.256 0.000 2.414 148 D HA 0.388 5.028 4.640 0.000 0.000 0.232 148 D C -0.553 175.580 176.300 -0.279 0.000 1.070 148 D CA 0.061 53.949 54.000 -0.188 0.000 0.839 148 D CB 1.811 42.519 40.800 -0.153 0.000 1.079 148 D HN 0.439 nan 8.370 nan 0.000 0.521 149 L N 2.847 123.952 121.223 -0.196 0.000 2.305 149 L HA 0.303 4.643 4.340 0.000 0.000 0.281 149 L C 0.290 177.018 176.870 -0.237 0.000 1.085 149 L CA -0.516 54.126 54.840 -0.330 0.000 0.813 149 L CB 0.617 42.538 42.059 -0.231 0.000 1.157 149 L HN 0.111 nan 8.230 nan 0.000 0.436 150 N N 3.536 122.006 118.700 -0.383 0.000 2.407 150 N HA 0.372 5.112 4.740 0.000 0.000 0.277 150 N C -1.417 173.876 175.510 -0.362 0.000 0.995 150 N CA -0.455 52.458 53.050 -0.227 0.000 0.903 150 N CB 1.777 40.162 38.487 -0.171 0.000 1.218 150 N HN 0.319 nan 8.380 nan 0.000 0.487 151 Y N 0.030 120.286 120.300 -0.074 0.000 2.338 151 Y HA 0.315 4.865 4.550 0.000 0.000 0.328 151 Y C 0.152 176.026 175.900 -0.044 0.000 0.965 151 Y CA -0.696 57.352 58.100 -0.087 0.000 1.208 151 Y CB 1.486 39.895 38.460 -0.085 0.000 1.132 151 Y HN 0.258 nan 8.280 nan 0.000 0.469 152 S N 4.600 120.358 115.700 0.096 0.000 2.437 152 S HA 0.519 4.989 4.470 0.000 0.000 0.305 152 S C -0.443 174.201 174.600 0.074 0.000 1.109 152 S CA -0.649 57.596 58.200 0.074 0.000 1.099 152 S CB 0.829 64.126 63.200 0.161 0.000 1.004 152 S HN 0.609 nan 8.310 nan 0.000 0.475 153 I N 3.164 123.691 120.570 -0.071 0.000 2.385 153 I HA 0.442 4.612 4.170 0.000 0.000 0.294 153 I C -1.465 174.491 176.117 -0.268 0.000 0.988 153 I CA -0.836 60.425 61.300 -0.066 0.000 1.265 153 I CB 0.755 38.712 38.000 -0.072 0.000 1.388 153 I HN 0.561 nan 8.210 nan 0.000 0.480 154 F N 8.274 128.167 119.950 -0.094 0.000 2.691 154 F HA 0.369 4.896 4.527 0.000 0.000 0.371 154 F C -1.908 173.822 175.800 -0.116 0.000 1.159 154 F CA -1.414 56.525 58.000 -0.102 0.000 1.174 154 F CB 0.853 39.852 39.000 -0.002 0.000 1.419 154 F HN 0.325 nan 8.300 nan 0.000 0.514 155 P HA -0.129 nan 4.420 nan 0.000 0.221 155 P C 1.292 178.533 177.300 -0.098 0.000 1.150 155 P CA 1.437 64.432 63.100 -0.175 0.000 0.800 155 P CB 0.132 31.620 31.700 -0.352 0.000 0.787 156 H N -1.141 117.993 119.070 0.106 0.000 2.548 156 H HA 0.161 4.717 4.556 0.000 0.000 0.268 156 H C 1.132 176.543 175.328 0.140 0.000 0.975 156 H CA 0.892 57.003 56.048 0.104 0.000 1.195 156 H CB -0.022 29.810 29.762 0.116 0.000 1.397 156 H HN 0.238 nan 8.280 nan 0.000 0.572 157 Q N -0.206 119.739 119.800 0.242 0.000 2.217 157 Q HA 0.095 4.435 4.340 0.000 0.000 0.217 157 Q C -0.108 175.949 176.000 0.095 0.000 0.844 157 Q CA -0.080 55.830 55.803 0.177 0.000 0.957 157 Q CB 0.954 29.822 28.738 0.216 0.000 1.127 157 Q HN 0.115 nan 8.270 nan 0.000 0.503 158 D N -0.486 119.979 120.400 0.109 0.000 2.870 158 D HA -0.137 4.503 4.640 0.000 0.000 0.228 158 D C -0.944 175.378 176.300 0.038 0.000 1.147 158 D CA 0.440 54.504 54.000 0.106 0.000 0.757 158 D CB -1.159 39.737 40.800 0.161 0.000 1.091 158 D HN 0.079 nan 8.370 nan 0.000 0.429 159 V N 0.818 120.706 119.914 -0.043 0.000 2.667 159 V HA 0.593 4.713 4.120 0.000 0.000 0.308 159 V C 0.735 176.767 176.094 -0.104 0.000 1.048 159 V CA -0.604 61.561 62.300 -0.224 0.000 0.928 159 V CB 2.474 33.852 31.823 -0.742 0.000 1.004 159 V HN 0.029 nan 8.190 nan 0.000 0.444 160 I N 3.761 124.256 120.570 -0.126 0.000 2.498 160 I HA 0.495 4.665 4.170 0.000 0.000 0.290 160 I C -0.856 175.194 176.117 -0.112 0.000 1.032 160 I CA -0.781 60.475 61.300 -0.073 0.000 1.073 160 I CB 2.223 40.136 38.000 -0.146 0.000 1.251 160 I HN 0.248 nan 8.210 nan 0.000 0.426 161 V N 6.240 126.142 119.914 -0.020 0.000 2.483 161 V HA 0.502 4.622 4.120 0.000 0.000 0.295 161 V C -0.179 175.863 176.094 -0.086 0.000 1.035 161 V CA -0.682 61.597 62.300 -0.035 0.000 0.896 161 V CB 1.779 33.648 31.823 0.077 0.000 0.986 161 V HN 0.668 nan 8.190 nan 0.000 0.447 162 K N 2.557 122.871 120.400 -0.144 0.000 2.435 162 K HA 0.866 5.186 4.320 0.000 0.000 0.251 162 K C -0.830 175.632 176.600 -0.231 0.000 0.954 162 K CA -0.597 55.520 56.287 -0.284 0.000 0.820 162 K CB 2.427 34.706 32.500 -0.369 0.000 1.292 162 K HN 0.898 nan 8.250 nan 0.000 0.436 163 S N -0.447 115.066 115.700 -0.312 0.000 2.611 163 S HA 0.790 5.260 4.470 0.000 0.000 0.268 163 S C -1.678 172.707 174.600 -0.359 0.000 1.156 163 S CA -1.096 56.951 58.200 -0.255 0.000 0.817 163 S CB 1.553 64.646 63.200 -0.179 0.000 1.122 163 S HN 0.682 nan 8.310 nan 0.000 0.466 164 A N 0.761 123.388 122.820 -0.322 0.000 2.365 164 A HA 0.848 5.168 4.320 0.000 0.000 0.318 164 A C -0.704 176.689 177.584 -0.319 0.000 1.091 164 A CA -0.785 50.965 52.037 -0.478 0.000 0.763 164 A CB 1.523 20.097 19.000 -0.709 0.000 1.248 164 A HN 0.861 nan 8.150 nan 0.000 0.442 165 K N 2.110 122.284 120.400 -0.378 0.000 2.358 165 K HA 0.589 4.909 4.320 0.000 0.000 0.260 165 K C -1.860 174.575 176.600 -0.275 0.000 0.956 165 K CA -0.349 55.817 56.287 -0.201 0.000 0.834 165 K CB 0.698 33.121 32.500 -0.128 0.000 1.102 165 K HN 0.522 nan 8.250 nan 0.000 0.431 166 F N 1.891 121.859 119.950 0.029 0.000 2.420 166 F HA 0.327 4.854 4.527 0.000 0.000 0.342 166 F C 0.222 176.071 175.800 0.081 0.000 1.113 166 F CA -0.371 57.662 58.000 0.055 0.000 1.059 166 F CB 2.058 41.123 39.000 0.109 0.000 1.128 166 F HN 0.297 nan 8.300 nan 0.000 0.475 167 T N 2.022 116.698 114.554 0.204 0.000 2.848 167 T HA 0.220 4.570 4.350 0.000 0.000 0.285 167 T C -0.752 174.041 174.700 0.155 0.000 0.995 167 T CA -0.916 61.280 62.100 0.160 0.000 0.970 167 T CB 1.323 70.248 68.868 0.094 0.000 0.976 167 T HN 0.367 nan 8.240 nan 0.000 0.441 168 N N 3.634 122.423 118.700 0.149 0.000 2.678 168 N HA 0.317 5.057 4.740 0.000 0.000 0.231 168 N C -2.116 173.449 175.510 0.091 0.000 1.038 168 N CA -2.405 50.719 53.050 0.123 0.000 0.932 168 N CB 1.143 39.703 38.487 0.122 0.000 1.176 168 N HN 0.198 nan 8.380 nan 0.000 0.511 169 P HA 0.003 nan 4.420 nan 0.000 0.241 169 P C 0.245 177.577 177.300 0.054 0.000 1.191 169 P CA 0.347 63.484 63.100 0.061 0.000 0.771 169 P CB 0.141 31.874 31.700 0.055 0.000 0.929 170 S N -0.387 115.348 115.700 0.058 0.000 2.641 170 S HA 0.163 4.633 4.470 0.000 0.000 0.261 170 S C 1.262 175.887 174.600 0.042 0.000 1.257 170 S CA 0.185 58.415 58.200 0.049 0.000 0.983 170 S CB 0.206 63.437 63.200 0.052 0.000 0.990 170 S HN 0.102 nan 8.310 nan 0.000 0.572 171 S N -1.158 114.563 115.700 0.035 0.000 2.540 171 S HA 0.296 4.766 4.470 0.000 0.000 0.218 171 S C 0.036 174.652 174.600 0.026 0.000 0.977 171 S CA -0.586 57.632 58.200 0.029 0.000 0.918 171 S CB -0.442 62.773 63.200 0.024 0.000 0.806 171 S HN 0.743 nan 8.310 nan 0.000 0.496 172 E N 1.474 121.692 120.200 0.030 0.000 2.207 172 E HA 0.357 4.707 4.350 0.000 0.000 0.270 172 E C -0.869 175.746 176.600 0.025 0.000 0.927 172 E CA -0.839 55.575 56.400 0.024 0.000 0.799 172 E CB 1.332 31.046 29.700 0.024 0.000 1.172 172 E HN 0.215 nan 8.360 nan 0.000 0.404 173 K N 2.019 122.427 120.400 0.014 0.000 2.401 173 K HA 0.240 4.560 4.320 0.000 0.000 0.278 173 K C -0.313 176.292 176.600 0.008 0.000 1.018 173 K CA 0.236 56.527 56.287 0.006 0.000 0.981 173 K CB 0.462 32.954 32.500 -0.012 0.000 0.933 173 K HN 0.274 nan 8.250 nan 0.000 0.477 174 L N 2.189 123.419 121.223 0.012 0.000 2.354 174 L HA 0.515 4.855 4.340 0.000 0.000 0.264 174 L C -0.793 176.065 176.870 -0.020 0.000 1.008 174 L CA -1.299 53.548 54.840 0.012 0.000 0.819 174 L CB 2.199 44.285 42.059 0.046 0.000 1.339 174 L HN 0.269 nan 8.230 nan 0.000 0.420 175 V N 3.273 123.164 119.914 -0.038 0.000 2.444 175 V HA 0.350 4.470 4.120 0.000 0.000 0.294 175 V C -0.054 175.978 176.094 -0.104 0.000 1.022 175 V CA -0.528 61.721 62.300 -0.087 0.000 0.850 175 V CB 1.949 33.712 31.823 -0.100 0.000 0.992 175 V HN 0.481 nan 8.190 nan 0.000 0.426 176 L N 5.101 126.222 121.223 -0.170 0.000 2.342 176 L HA 0.358 4.698 4.340 0.000 0.000 0.285 176 L C 1.080 177.829 176.870 -0.202 0.000 1.095 176 L CA -0.151 54.553 54.840 -0.226 0.000 0.843 176 L CB 0.385 42.194 42.059 -0.418 0.000 1.201 176 L HN 0.682 nan 8.230 nan 0.000 0.445 177 N N 2.937 121.589 118.700 -0.080 0.000 2.395 177 N HA 0.017 4.757 4.740 0.000 0.000 0.175 177 N C 0.485 176.085 175.510 0.151 0.000 1.029 177 N CA 0.548 53.577 53.050 -0.036 0.000 0.897 177 N CB 0.619 39.086 38.487 -0.033 0.000 0.991 177 N HN 0.530 nan 8.380 nan 0.000 0.441 178 R N 0.229 120.836 120.500 0.178 0.000 2.518 178 R HA 0.446 4.786 4.340 0.000 0.000 0.287 178 R C -2.007 174.372 176.300 0.132 0.000 1.135 178 R CA -0.277 55.922 56.100 0.165 0.000 0.967 178 R CB 1.280 31.601 30.300 0.035 0.000 1.212 178 R HN -0.060 nan 8.270 nan 0.000 0.422 179 A N 6.133 128.964 122.820 0.018 0.000 3.030 179 A HA 0.321 4.641 4.320 0.000 0.000 0.335 179 A C -1.040 176.590 177.584 0.076 0.000 1.089 179 A CA -0.603 51.494 52.037 0.100 0.000 0.807 179 A CB 0.406 19.419 19.000 0.022 0.000 1.099 179 A HN 0.446 nan 8.150 nan 0.000 0.474 180 L N 0.706 121.994 121.223 0.109 0.000 2.467 180 L HA 0.257 4.597 4.340 0.000 0.000 0.270 180 L C 1.650 178.632 176.870 0.186 0.000 1.205 180 L CA 0.625 55.503 54.840 0.063 0.000 0.828 180 L CB 0.570 42.631 42.059 0.002 0.000 1.101 180 L HN 0.596 nan 8.230 nan 0.000 0.479 181 S N -0.047 115.697 115.700 0.073 0.000 2.377 181 S HA 0.008 4.478 4.470 0.000 0.000 0.223 181 S C 0.685 175.321 174.600 0.060 0.000 1.030 181 S CA 0.670 58.894 58.200 0.040 0.000 0.970 181 S CB 0.133 63.318 63.200 -0.026 0.000 0.830 181 S HN 0.671 nan 8.310 nan 0.000 0.473 182 S N 0.140 115.893 115.700 0.088 0.000 2.546 182 S HA 0.507 4.977 4.470 0.000 0.000 0.274 182 S C -1.600 173.056 174.600 0.094 0.000 1.121 182 S CA -0.751 57.502 58.200 0.088 0.000 0.887 182 S CB 1.808 65.047 63.200 0.065 0.000 1.094 182 S HN 0.313 nan 8.310 nan 0.000 0.474 183 Q N 2.990 122.859 119.800 0.115 0.000 2.353 183 Q HA 0.713 5.053 4.340 0.000 0.000 0.268 183 Q C -1.988 174.059 176.000 0.079 0.000 1.045 183 Q CA -0.870 54.962 55.803 0.048 0.000 0.811 183 Q CB 1.661 30.407 28.738 0.014 0.000 1.305 183 Q HN 0.618 nan 8.270 nan 0.000 0.447 184 L N 3.664 124.909 121.223 0.035 0.000 2.376 184 L HA 0.514 4.854 4.340 0.000 0.000 0.275 184 L C -1.764 175.082 176.870 -0.040 0.000 0.987 184 L CA -0.215 54.654 54.840 0.049 0.000 0.828 184 L CB 1.962 44.110 42.059 0.149 0.000 1.249 184 L HN 0.613 nan 8.230 nan 0.000 0.409 185 D N 6.096 126.469 120.400 -0.045 0.000 2.373 185 D HA 0.399 5.039 4.640 0.000 0.000 0.227 185 D C -0.369 175.892 176.300 -0.064 0.000 1.091 185 D CA 0.084 54.050 54.000 -0.056 0.000 0.840 185 D CB 1.482 42.258 40.800 -0.039 0.000 1.060 185 D HN 0.452 nan 8.370 nan 0.000 0.502 186 L N 3.761 124.944 121.223 -0.067 0.000 2.379 186 L HA 0.312 4.652 4.340 0.000 0.000 0.269 186 L C -1.106 175.784 176.870 0.034 0.000 1.084 186 L CA -1.592 53.231 54.840 -0.027 0.000 0.802 186 L CB 1.408 43.443 42.059 -0.041 0.000 1.175 186 L HN 0.155 nan 8.230 nan 0.000 0.448 187 P HA -0.014 nan 4.420 nan 0.000 0.245 187 P C -0.719 176.622 177.300 0.068 0.000 1.206 187 P CA 0.550 63.682 63.100 0.053 0.000 0.781 187 P CB 0.036 31.767 31.700 0.053 0.000 0.994 188 D N -1.879 118.584 120.400 0.105 0.000 2.652 188 D HA 0.526 5.166 4.640 0.000 0.000 0.285 188 D C -0.523 175.858 176.300 0.134 0.000 1.173 188 D CA -1.098 52.949 54.000 0.079 0.000 0.981 188 D CB 0.508 41.319 40.800 0.018 0.000 1.440 188 D HN -0.192 nan 8.370 nan 0.000 0.485 189 A N -0.188 122.674 122.820 0.069 0.000 2.606 189 A HA 0.281 4.601 4.320 0.000 0.000 0.290 189 A C -0.314 177.266 177.584 -0.006 0.000 1.174 189 A CA -0.645 51.468 52.037 0.127 0.000 0.958 189 A CB -0.987 18.070 19.000 0.096 0.000 1.194 189 A HN 0.534 nan 8.150 nan 0.000 0.526 190 N N 0.908 119.468 118.700 -0.234 0.000 3.027 190 N HA 0.274 5.014 4.740 0.000 0.000 0.309 190 N C -1.452 173.787 175.510 -0.452 0.000 1.222 190 N CA 0.435 53.319 53.050 -0.275 0.000 1.187 190 N CB -0.176 38.159 38.487 -0.254 0.000 1.458 190 N HN 0.500 nan 8.380 nan 0.000 0.535 191 Y N -0.433 119.901 120.300 0.057 0.000 2.553 191 Y HA 0.318 4.868 4.550 0.000 0.000 0.347 191 Y C -0.214 175.718 175.900 0.054 0.000 1.019 191 Y CA -1.326 56.819 58.100 0.075 0.000 1.032 191 Y CB 1.369 39.887 38.460 0.097 0.000 1.284 191 Y HN 0.117 nan 8.280 nan 0.000 0.466 192 D N 1.898 122.441 120.400 0.237 0.000 2.177 192 D HA 0.261 4.901 4.640 0.000 0.000 0.247 192 D C -0.959 175.413 176.300 0.121 0.000 1.063 192 D CA -0.464 53.617 54.000 0.136 0.000 0.867 192 D CB 2.014 42.862 40.800 0.081 0.000 1.168 192 D HN 0.341 nan 8.370 nan 0.000 0.445 193 L N 3.773 125.045 121.223 0.082 0.000 2.278 193 L HA 0.338 4.678 4.340 0.000 0.000 0.287 193 L C -0.771 176.099 176.870 -0.000 0.000 1.072 193 L CA -0.041 54.819 54.840 0.033 0.000 0.819 193 L CB 0.023 42.090 42.059 0.013 0.000 1.176 193 L HN 0.248 nan 8.230 nan 0.000 0.435 194 I N 6.191 126.726 120.570 -0.059 0.000 2.336 194 I HA 0.386 4.556 4.170 0.000 0.000 0.292 194 I C -0.067 175.875 176.117 -0.290 0.000 0.991 194 I CA -0.515 60.670 61.300 -0.191 0.000 1.227 194 I CB 1.350 39.221 38.000 -0.214 0.000 1.366 194 I HN 0.751 nan 8.210 nan 0.000 0.466 195 Q N 5.410 124.957 119.800 -0.421 0.000 2.605 195 Q HA 0.617 4.957 4.340 0.000 0.000 0.296 195 Q C -1.945 173.678 176.000 -0.628 0.000 1.056 195 Q CA -0.810 54.812 55.803 -0.302 0.000 0.778 195 Q CB 2.630 31.332 28.738 -0.060 0.000 1.497 195 Q HN 0.455 nan 8.270 nan 0.000 0.443 196 F N 0.897 120.951 119.950 0.174 0.000 2.646 196 F HA 0.448 4.975 4.527 0.000 0.000 0.364 196 F C -0.829 175.116 175.800 0.242 0.000 1.137 196 F CA -0.416 57.707 58.000 0.206 0.000 1.085 196 F CB 2.182 41.312 39.000 0.216 0.000 1.331 196 F HN 0.491 nan 8.300 nan 0.000 0.472 197 S N 0.754 116.702 115.700 0.414 0.000 2.566 197 S HA 0.991 5.461 4.470 0.000 0.000 0.298 197 S C 0.131 174.911 174.600 0.301 0.000 1.083 197 S CA -0.580 57.805 58.200 0.308 0.000 0.978 197 S CB 2.294 65.567 63.200 0.122 0.000 1.073 197 S HN 0.904 nan 8.310 nan 0.000 0.491 198 G N 0.120 109.030 108.800 0.184 0.000 2.593 198 G HA2 0.563 4.523 3.960 0.000 0.000 0.103 198 G HA3 0.563 4.523 3.960 0.000 0.000 0.103 198 G C -0.658 174.310 174.900 0.114 0.000 1.103 198 G CA 0.378 45.538 45.100 0.099 0.000 1.109 198 G HN 1.064 nan 8.290 nan 0.000 0.516 199 T N -1.922 112.704 114.554 0.120 0.000 2.654 199 T HA 0.409 4.759 4.350 0.000 0.000 0.303 199 T C -2.016 172.761 174.700 0.128 0.000 1.656 199 T CA 0.240 62.437 62.100 0.161 0.000 0.971 199 T CB 0.423 69.362 68.868 0.117 0.000 1.811 199 T HN 1.399 nan 8.240 nan 0.000 0.483 200 W N 2.429 123.614 121.300 -0.193 0.000 2.295 200 W HA 0.372 5.032 4.660 0.000 0.000 0.335 200 W C 1.054 177.518 176.519 -0.091 0.000 1.351 200 W CA 1.732 58.872 57.345 -0.342 0.000 1.273 200 W CB -0.312 28.876 29.460 -0.453 0.000 1.214 200 W HN 1.514 nan 8.180 nan 0.000 0.563 201 A N 4.178 126.451 122.820 -0.913 0.000 3.384 201 A HA -0.296 4.024 4.320 0.000 0.000 0.260 201 A C 0.700 178.066 177.584 -0.364 0.000 1.168 201 A CA 1.437 52.929 52.037 -0.909 0.000 1.253 201 A CB -1.831 16.440 19.000 -1.215 0.000 1.122 201 A HN 1.004 nan 8.150 nan 0.000 0.934 202 R N -0.732 119.659 120.500 -0.182 0.000 2.568 202 R HA 0.431 4.771 4.340 0.000 0.000 0.232 202 R C -0.828 175.479 176.300 0.011 0.000 1.412 202 R CA -0.535 55.536 56.100 -0.048 0.000 1.492 202 R CB -0.099 30.138 30.300 -0.104 0.000 1.441 202 R HN 0.324 nan 8.270 nan 0.000 0.768 203 E N 1.387 121.627 120.200 0.067 0.000 2.390 203 E HA 0.237 4.587 4.350 0.000 0.000 0.261 203 E C 0.030 176.778 176.600 0.246 0.000 1.076 203 E CA -0.487 55.995 56.400 0.138 0.000 0.905 203 E CB 0.463 30.214 29.700 0.086 0.000 0.984 203 E HN 0.183 nan 8.360 nan 0.000 0.427 204 R N 0.948 121.615 120.500 0.279 0.000 3.516 204 R HA -0.225 4.116 4.340 0.000 0.000 0.271 204 R C -0.640 175.944 176.300 0.473 0.000 1.098 204 R CA 0.291 56.618 56.100 0.378 0.000 0.732 204 R CB -2.235 28.198 30.300 0.223 0.000 1.152 204 R HN 0.630 nan 8.270 nan 0.000 0.455 205 H N 0.102 119.292 119.070 0.199 0.000 2.871 205 H HA 0.099 4.655 4.556 0.000 0.000 0.355 205 H C 0.837 175.864 175.328 -0.501 0.000 1.092 205 H CA -0.264 55.748 56.048 -0.060 0.000 1.420 205 H CB 0.811 30.606 29.762 0.055 0.000 1.400 205 H HN 0.128 nan 8.280 nan 0.000 0.604 206 L N 3.344 123.808 121.223 -1.265 0.000 2.397 206 L HA 0.167 4.507 4.340 0.000 0.000 0.271 206 L C -1.210 175.085 176.870 -0.958 0.000 1.148 206 L CA -0.166 54.016 54.840 -1.098 0.000 0.825 206 L CB 0.110 41.501 42.059 -1.114 0.000 1.117 206 L HN 0.516 nan 8.230 nan 0.000 0.456 207 Y N 4.090 124.114 120.300 -0.460 0.000 2.457 207 Y HA 0.539 5.089 4.550 0.000 0.000 0.343 207 Y C -0.432 175.360 175.900 -0.180 0.000 0.994 207 Y CA -0.802 57.189 58.100 -0.182 0.000 1.031 207 Y CB 1.706 40.157 38.460 -0.015 0.000 1.246 207 Y HN 0.465 nan 8.280 nan 0.000 0.449 208 R N 3.538 124.014 120.500 -0.040 0.000 2.507 208 R HA 0.431 4.771 4.340 0.000 0.000 0.298 208 R C -1.979 174.151 176.300 -0.284 0.000 1.087 208 R CA -0.409 55.621 56.100 -0.117 0.000 0.917 208 R CB 0.611 30.825 30.300 -0.143 0.000 1.173 208 R HN 0.835 nan 8.270 nan 0.000 0.472 209 H N 3.695 122.763 119.070 -0.002 0.000 2.679 209 H HA 0.331 4.887 4.556 0.000 0.000 0.360 209 H C -2.475 172.859 175.328 0.010 0.000 1.105 209 H CA -2.032 54.019 56.048 0.006 0.000 1.196 209 H CB 2.368 32.128 29.762 -0.004 0.000 1.636 209 H HN 0.371 nan 8.280 nan 0.000 0.531 210 P HA -0.043 nan 4.420 nan 0.000 0.269 210 P C -0.040 177.310 177.300 0.082 0.000 1.209 210 P CA -0.504 62.644 63.100 0.080 0.000 0.776 210 P CB 0.686 32.417 31.700 0.051 0.000 0.876 211 L N 3.479 124.748 121.223 0.076 0.000 2.461 211 L HA 0.225 4.565 4.340 0.000 0.000 0.272 211 L C 1.099 177.988 176.870 0.032 0.000 1.197 211 L CA 0.667 55.541 54.840 0.057 0.000 0.836 211 L CB -0.302 41.807 42.059 0.084 0.000 1.105 211 L HN 0.517 nan 8.230 nan 0.000 0.477 212 R N 2.140 122.647 120.500 0.011 0.000 2.836 212 R HA 0.716 5.056 4.340 0.000 0.000 0.269 212 R C -2.744 173.546 176.300 -0.017 0.000 1.010 212 R CA -2.065 54.033 56.100 -0.003 0.000 0.930 212 R CB 0.138 30.433 30.300 -0.008 0.000 1.218 212 R HN 0.242 nan 8.270 nan 0.000 0.473 213 P HA 0.138 nan 4.420 nan 0.000 0.264 213 P C 0.047 177.322 177.300 -0.042 0.000 1.183 213 P CA 1.571 64.649 63.100 -0.036 0.000 0.763 213 P CB 0.532 32.205 31.700 -0.044 0.000 0.807 217 S N 2.635 118.281 115.700 -0.090 0.000 2.579 217 S HA 0.919 5.389 4.470 0.000 0.000 0.272 217 S C -0.558 173.992 174.600 -0.083 0.000 1.141 217 S CA -0.646 57.503 58.200 -0.085 0.000 0.843 217 S CB 2.074 65.218 63.200 -0.093 0.000 1.122 217 S HN 0.872 nan 8.310 nan 0.000 0.468 218 I N -0.388 120.146 120.570 -0.060 0.000 2.934 218 I HA 0.940 5.110 4.170 0.000 0.000 0.306 218 I C -0.596 175.381 176.117 -0.233 0.000 1.110 218 I CA -0.829 60.427 61.300 -0.072 0.000 1.019 218 I CB 2.137 40.171 38.000 0.057 0.000 1.227 218 I HN 1.005 nan 8.210 nan 0.000 0.434 219 S N 2.294 117.743 115.700 -0.417 0.000 2.643 219 S HA 0.674 5.144 4.470 0.000 0.000 0.270 219 S C -1.062 173.106 174.600 -0.720 0.000 1.166 219 S CA -0.731 56.999 58.200 -0.783 0.000 0.815 219 S CB 1.545 64.499 63.200 -0.410 0.000 1.139 219 S HN 0.919 nan 8.310 nan 0.000 0.472 220 S N -0.377 114.914 115.700 -0.682 0.000 2.538 220 S HA 0.678 5.148 4.470 0.000 0.000 0.288 220 S C -0.603 173.896 174.600 -0.168 0.000 1.108 220 S CA -0.841 57.187 58.200 -0.286 0.000 0.971 220 S CB 0.960 64.101 63.200 -0.099 0.000 1.041 220 S HN 0.694 nan 8.310 nan 0.000 0.483 221 L N 3.876 125.020 121.223 -0.132 0.000 3.014 221 L HA 0.393 4.733 4.340 0.000 0.000 0.263 221 L C 0.761 177.584 176.870 -0.078 0.000 1.207 221 L CA -0.142 54.651 54.840 -0.079 0.000 1.017 221 L CB 0.102 42.117 42.059 -0.073 0.000 1.360 221 L HN 0.463 nan 8.230 nan 0.000 0.560 225 S N 1.900 117.698 115.700 0.165 0.000 2.507 225 S HA 0.438 4.908 4.470 0.000 0.000 0.299 225 S C 0.739 175.481 174.600 0.236 0.000 1.214 225 S CA 0.339 58.714 58.200 0.293 0.000 1.137 225 S CB -0.405 62.886 63.200 0.152 0.000 1.009 225 S HN 1.969 nan 8.310 nan 0.000 0.512 226 S N 3.031 118.894 115.700 0.271 0.000 2.596 226 S HA 0.234 4.704 4.470 0.000 0.000 0.262 226 S C 1.046 175.750 174.600 0.174 0.000 1.218 226 S CA -0.735 57.586 58.200 0.201 0.000 0.998 226 S CB -0.170 63.089 63.200 0.099 0.000 1.060 226 S HN 0.788 nan 8.310 nan 0.000 0.552 227 H N 0.159 119.411 119.070 0.303 0.000 2.395 227 H HA -0.003 4.553 4.556 0.000 0.000 0.299 227 H C 2.149 177.595 175.328 0.197 0.000 1.070 227 H CA 1.752 57.953 56.048 0.255 0.000 1.356 227 H CB -0.148 29.800 29.762 0.310 0.000 1.401 227 H HN 0.576 nan 8.280 nan 0.000 0.524 228 Q N 0.157 120.134 119.800 0.296 0.000 2.096 228 Q HA 0.016 4.356 4.340 0.000 0.000 0.197 228 Q C 0.332 176.447 176.000 0.191 0.000 0.964 228 Q CA 0.900 56.819 55.803 0.193 0.000 0.838 228 Q CB 0.485 29.284 28.738 0.102 0.000 0.906 228 Q HN 0.312 nan 8.270 nan 0.000 0.444 229 Q N -0.482 119.462 119.800 0.239 0.000 2.379 229 Q HA 0.432 4.772 4.340 0.000 0.000 0.278 229 Q C -1.324 174.958 176.000 0.470 0.000 1.068 229 Q CA -0.468 55.528 55.803 0.321 0.000 0.816 229 Q CB 2.088 30.979 28.738 0.255 0.000 1.387 229 Q HN 0.072 nan 8.270 nan 0.000 0.413 230 N N 0.689 119.661 118.700 0.454 0.000 2.269 230 N HA 0.439 5.179 4.740 0.000 0.000 0.304 230 N C -2.127 173.386 175.510 0.004 0.000 1.072 230 N CA -1.706 51.508 53.050 0.273 0.000 0.802 230 N CB 1.875 40.563 38.487 0.335 0.000 1.348 230 N HN 0.058 nan 8.380 nan 0.000 0.484 231 P HA -0.013 nan 4.420 nan 0.000 0.226 231 P C -0.399 176.869 177.300 -0.054 0.000 1.153 231 P CA 0.626 63.247 63.100 -0.799 0.000 0.777 231 P CB 0.030 31.277 31.700 -0.755 0.000 0.794 236 A N 3.503 126.469 122.820 0.244 0.000 2.324 236 A HA 0.844 5.164 4.320 0.000 0.000 0.330 236 A C -0.091 177.697 177.584 0.340 0.000 1.165 236 A CA -0.676 51.514 52.037 0.254 0.000 0.813 236 A CB 1.244 20.327 19.000 0.140 0.000 1.197 236 A HN 0.608 nan 8.150 nan 0.000 0.484 237 R N 1.741 122.435 120.500 0.323 0.000 2.758 237 R HA 0.048 4.388 4.340 0.000 0.000 0.263 237 R C -1.769 174.588 176.300 0.095 0.000 1.010 237 R CA -1.363 54.842 56.100 0.176 0.000 1.114 237 R CB -0.295 30.076 30.300 0.118 0.000 0.985 237 R HN 0.455 nan 8.270 nan 0.000 0.439 238 P HA -0.122 nan 4.420 nan 0.000 0.216 238 P C 0.448 177.764 177.300 0.026 0.000 1.150 238 P CA 1.312 64.428 63.100 0.028 0.000 0.843 238 P CB 0.313 32.014 31.700 0.001 0.000 0.787 239 Q N -1.690 118.124 119.800 0.023 0.000 2.222 239 Q HA 0.133 4.474 4.340 0.000 0.000 0.206 239 Q C -0.079 175.938 176.000 0.028 0.000 0.877 239 Q CA 0.259 56.074 55.803 0.020 0.000 0.958 239 Q CB -0.640 28.104 28.738 0.010 0.000 1.075 239 Q HN 0.093 nan 8.270 nan 0.000 0.483 240 T N 0.796 115.375 114.554 0.043 0.000 2.884 240 T HA 0.378 4.728 4.350 0.000 0.000 0.298 240 T C 0.409 175.144 174.700 0.057 0.000 0.998 240 T CA 0.032 62.160 62.100 0.045 0.000 1.124 240 T CB 0.864 69.766 68.868 0.056 0.000 0.931 240 T HN 0.397 nan 8.240 nan 0.000 0.531 241 T N -0.736 113.854 114.554 0.059 0.000 2.645 241 T HA 0.363 4.713 4.350 0.000 0.000 0.273 241 T C 0.650 175.420 174.700 0.116 0.000 0.960 241 T CA -0.772 61.382 62.100 0.090 0.000 1.051 241 T CB 0.902 69.810 68.868 0.067 0.000 1.366 241 T HN 0.274 nan 8.240 nan 0.000 0.536 242 D N 0.213 120.704 120.400 0.152 0.000 2.309 242 D HA -0.027 4.613 4.640 0.000 0.000 0.212 242 D C 1.484 177.834 176.300 0.082 0.000 0.968 242 D CA 1.103 55.190 54.000 0.145 0.000 0.882 242 D CB 0.265 41.164 40.800 0.164 0.000 0.918 242 D HN 0.631 nan 8.370 nan 0.000 0.503 243 E N -0.539 119.697 120.200 0.061 0.000 2.372 243 E HA 0.046 4.396 4.350 0.000 0.000 0.201 243 E C 0.658 177.269 176.600 0.017 0.000 0.938 243 E CA 0.048 56.473 56.400 0.041 0.000 0.944 243 E CB 0.702 30.417 29.700 0.025 0.000 0.937 243 E HN 0.321 nan 8.360 nan 0.000 0.495 244 Q N -0.265 119.541 119.800 0.010 0.000 2.389 244 Q HA 0.605 4.945 4.340 0.000 0.000 0.277 244 Q C -0.296 175.696 176.000 -0.013 0.000 1.082 244 Q CA -0.889 54.911 55.803 -0.006 0.000 0.810 244 Q CB 2.653 31.390 28.738 -0.002 0.000 1.374 244 Q HN 0.064 nan 8.270 nan 0.000 0.422 245 G N 0.092 108.871 108.800 -0.035 0.000 2.617 245 G HA2 0.306 4.266 3.960 0.000 0.000 0.686 245 G HA3 0.306 4.266 3.960 0.000 0.000 0.686 245 G C -0.644 174.198 174.900 -0.096 0.000 1.214 245 G CA -0.532 44.549 45.100 -0.032 0.000 0.796 245 G HN 1.085 nan 8.290 nan 0.000 0.654 246 A N -0.390 122.391 122.820 -0.065 0.000 2.498 246 A HA 0.792 5.112 4.320 0.000 0.000 0.239 246 A C 0.765 178.255 177.584 -0.156 0.000 1.068 246 A CA 0.778 52.716 52.037 -0.165 0.000 0.766 246 A CB 1.128 20.223 19.000 0.159 0.000 1.003 246 A HN 2.487 nan 8.150 nan 0.000 0.497 247 V N 2.809 122.454 119.914 -0.448 0.000 3.036 247 V HA 0.603 4.723 4.120 0.000 0.000 0.288 247 V C -1.874 173.979 176.094 -0.401 0.000 1.407 247 V CA -0.797 61.375 62.300 -0.213 0.000 0.983 247 V CB 1.537 33.306 31.823 -0.089 0.000 1.128 247 V HN 0.792 nan 8.190 nan 0.000 0.439 248 F N 4.065 123.981 119.950 -0.057 0.000 2.443 248 F HA 0.867 5.394 4.527 0.000 0.000 0.335 248 F C 0.960 176.625 175.800 -0.226 0.000 1.104 248 F CA 0.169 58.073 58.000 -0.159 0.000 1.013 248 F CB 2.274 41.186 39.000 -0.146 0.000 1.136 248 F HN 0.712 nan 8.300 nan 0.000 0.470 249 G N 1.930 110.618 108.800 -0.187 0.000 2.420 249 G HA2 0.696 4.656 3.960 0.000 0.000 0.331 249 G HA3 0.696 4.656 3.960 0.000 0.000 0.331 249 G C -1.892 172.733 174.900 -0.458 0.000 1.168 249 G CA -0.481 44.543 45.100 -0.127 0.000 0.936 249 G HN 0.402 nan 8.290 nan 0.000 0.479 250 F N 1.022 120.999 119.950 0.046 0.000 2.557 250 F HA 0.476 5.003 4.527 0.000 0.000 0.316 250 F C -0.006 175.866 175.800 0.121 0.000 1.141 250 F CA -0.971 57.065 58.000 0.060 0.000 0.922 250 F CB 2.595 41.592 39.000 -0.007 0.000 1.194 250 F HN 0.338 nan 8.300 nan 0.000 0.443 251 N N 1.828 120.709 118.700 0.302 0.000 2.629 251 N HA 0.590 5.330 4.740 0.000 0.000 0.279 251 N C -2.037 173.568 175.510 0.157 0.000 1.344 251 N CA -0.505 52.697 53.050 0.253 0.000 0.789 251 N CB 2.583 41.230 38.487 0.266 0.000 1.508 251 N HN 0.613 nan 8.380 nan 0.000 0.516 252 L N 1.732 123.016 121.223 0.103 0.000 2.441 252 L HA 0.393 4.733 4.340 0.000 0.000 0.270 252 L C -0.894 176.027 176.870 0.085 0.000 0.973 252 L CA -0.754 54.137 54.840 0.084 0.000 0.842 252 L CB 1.732 43.834 42.059 0.072 0.000 1.239 252 L HN 0.269 nan 8.230 nan 0.000 0.406 253 V N 5.619 125.575 119.914 0.070 0.000 2.242 253 V HA 0.186 4.306 4.120 0.000 0.000 0.242 253 V C -0.681 175.512 176.094 0.166 0.000 1.240 253 V CA 0.003 62.328 62.300 0.041 0.000 1.211 253 V CB -0.821 30.983 31.823 -0.031 0.000 1.338 253 V HN 0.548 nan 8.190 nan 0.000 0.499 254 Y N 2.115 122.434 120.300 0.031 0.000 2.638 254 Y HA 0.386 4.936 4.550 0.000 0.000 0.334 254 Y C 0.378 176.365 175.900 0.145 0.000 1.182 254 Y CA -0.886 57.302 58.100 0.146 0.000 1.102 254 Y CB 1.917 40.459 38.460 0.136 0.000 1.343 254 Y HN 0.219 nan 8.280 nan 0.000 0.463 255 S N 1.240 116.738 115.700 -0.337 0.000 2.819 255 S HA 0.361 4.831 4.470 0.000 0.000 0.249 255 S C 0.463 174.832 174.600 -0.386 0.000 1.030 255 S CA 0.052 58.108 58.200 -0.240 0.000 1.052 255 S CB 0.814 63.931 63.200 -0.139 0.000 1.017 255 S HN 0.936 nan 8.310 nan 0.000 0.576 256 G N 1.873 110.091 108.800 -0.970 0.000 2.531 256 G HA2 0.319 4.279 3.960 0.000 0.000 0.253 256 G HA3 0.319 4.279 3.960 0.000 0.000 0.253 256 G C -0.339 174.630 174.900 0.115 0.000 1.439 256 G CA -0.744 44.066 45.100 -0.482 0.000 1.056 256 G HN 0.243 nan 8.290 nan 0.000 0.555 257 N N 0.692 119.554 118.700 0.270 0.000 2.434 257 N HA 0.257 4.997 4.740 0.000 0.000 0.268 257 N C -0.513 175.208 175.510 0.352 0.000 1.256 257 N CA 0.155 53.348 53.050 0.238 0.000 0.914 257 N CB 0.146 38.732 38.487 0.165 0.000 1.088 257 N HN 0.386 nan 8.380 nan 0.000 0.478 258 F N 0.864 120.912 119.950 0.163 0.000 2.575 258 F HA 0.767 5.294 4.527 0.000 0.000 0.330 258 F C -0.841 174.989 175.800 0.051 0.000 1.056 258 F CA -1.585 56.493 58.000 0.130 0.000 0.964 258 F CB 0.923 40.023 39.000 0.167 0.000 1.258 258 F HN 0.175 nan 8.300 nan 0.000 0.484 259 L N 2.524 123.756 121.223 0.014 0.000 2.376 259 L HA 0.557 4.897 4.340 0.000 0.000 0.275 259 L C -1.803 175.146 176.870 0.132 0.000 0.987 259 L CA -0.240 54.541 54.840 -0.097 0.000 0.828 259 L CB 1.462 43.468 42.059 -0.090 0.000 1.249 259 L HN 0.634 nan 8.230 nan 0.000 0.409 260 D N 4.835 125.328 120.400 0.154 0.000 2.303 260 D HA 0.756 5.396 4.640 0.000 0.000 0.236 260 D C -0.772 175.514 176.300 -0.024 0.000 1.068 260 D CA 0.241 54.312 54.000 0.118 0.000 0.830 260 D CB 1.948 42.880 40.800 0.220 0.000 1.109 260 D HN 0.770 nan 8.370 nan 0.000 0.496 261 A N 2.665 125.431 122.820 -0.090 0.000 2.422 261 A HA 0.753 5.073 4.320 0.000 0.000 0.302 261 A C -1.016 176.479 177.584 -0.149 0.000 1.041 261 A CA -0.620 51.352 52.037 -0.109 0.000 0.708 261 A CB 0.909 19.851 19.000 -0.097 0.000 1.257 261 A HN 0.472 nan 8.150 nan 0.000 0.414 262 I N 1.241 121.733 120.570 -0.129 0.000 2.468 262 I HA 0.365 4.535 4.170 0.000 0.000 0.285 262 I C -0.260 175.803 176.117 -0.091 0.000 1.039 262 I CA 0.007 61.227 61.300 -0.132 0.000 1.074 262 I CB 2.143 40.063 38.000 -0.133 0.000 1.228 262 I HN 0.778 nan 8.210 nan 0.000 0.436 263 E N 6.079 126.229 120.200 -0.083 0.000 2.145 263 E HA 0.536 4.886 4.350 0.000 0.000 0.270 263 E C -1.465 175.109 176.600 -0.042 0.000 0.906 263 E CA -0.668 55.696 56.400 -0.060 0.000 0.761 263 E CB 1.532 31.197 29.700 -0.059 0.000 1.116 263 E HN 0.372 nan 8.360 nan 0.000 0.408 264 V N 5.831 125.726 119.914 -0.031 0.000 2.364 264 V HA 0.128 4.248 4.120 0.000 0.000 0.272 264 V C 0.278 176.357 176.094 -0.025 0.000 1.036 264 V CA -0.589 61.703 62.300 -0.014 0.000 0.880 264 V CB 0.848 32.668 31.823 -0.005 0.000 0.991 264 V HN 0.762 nan 8.190 nan 0.000 0.460 265 D N 4.046 124.437 120.400 -0.015 0.000 2.511 265 D HA 0.091 4.731 4.640 0.000 0.000 0.276 265 D C 1.167 177.420 176.300 -0.079 0.000 1.220 265 D CA -0.590 53.391 54.000 -0.032 0.000 1.077 265 D CB 0.643 41.449 40.800 0.009 0.000 1.126 265 D HN 0.513 nan 8.370 nan 0.000 0.583 266 Q N -1.255 118.438 119.800 -0.177 0.000 2.500 266 Q HA -0.156 4.185 4.340 0.000 0.000 0.213 266 Q C 0.177 175.891 176.000 -0.476 0.000 0.974 266 Q CA 1.158 56.748 55.803 -0.356 0.000 0.918 266 Q CB -0.442 27.983 28.738 -0.521 0.000 0.980 266 Q HN 0.528 nan 8.270 nan 0.000 0.505 267 Y N -0.061 120.220 120.300 -0.031 0.000 2.636 267 Y HA 0.332 4.882 4.550 0.000 0.000 0.260 267 Y C 0.557 176.445 175.900 -0.020 0.000 1.177 267 Y CA -0.465 57.618 58.100 -0.029 0.000 1.209 267 Y CB 0.907 39.346 38.460 -0.035 0.000 1.166 267 Y HN 0.034 nan 8.280 nan 0.000 0.531 268 S N 0.663 116.402 115.700 0.065 0.000 3.561 268 S HA -0.191 4.280 4.470 0.000 0.000 0.318 268 S C 0.551 175.192 174.600 0.068 0.000 1.181 268 S CA 1.045 59.274 58.200 0.048 0.000 0.916 268 S CB -1.379 61.844 63.200 0.039 0.000 0.966 268 S HN 0.706 nan 8.310 nan 0.000 0.550 269 T N -1.008 113.594 114.554 0.080 0.000 2.918 269 T HA 0.735 5.085 4.350 0.000 0.000 0.283 269 T C 0.033 174.759 174.700 0.044 0.000 1.001 269 T CA -0.399 61.740 62.100 0.066 0.000 1.041 269 T CB 1.812 70.716 68.868 0.059 0.000 1.028 269 T HN 0.123 nan 8.240 nan 0.000 0.511 270 S N 0.812 116.532 115.700 0.035 0.000 2.509 270 S HA 0.590 5.060 4.470 0.000 0.000 0.297 270 S C -0.360 174.210 174.600 -0.049 0.000 1.118 270 S CA -0.907 57.291 58.200 -0.004 0.000 1.074 270 S CB 1.068 64.270 63.200 0.002 0.000 1.038 270 S HN 0.778 nan 8.310 nan 0.000 0.498 271 R N 2.390 122.846 120.500 -0.072 0.000 2.409 271 R HA 0.535 4.875 4.340 0.000 0.000 0.313 271 R C -1.731 174.482 176.300 -0.146 0.000 0.953 271 R CA -0.526 55.517 56.100 -0.095 0.000 0.849 271 R CB 0.379 30.633 30.300 -0.076 0.000 1.171 271 R HN 0.530 nan 8.270 nan 0.000 0.458 272 I N 6.122 126.575 120.570 -0.195 0.000 2.328 272 I HA 0.273 4.443 4.170 0.000 0.000 0.287 272 I C -0.591 175.381 176.117 -0.242 0.000 1.012 272 I CA -0.188 60.923 61.300 -0.315 0.000 1.195 272 I CB 1.448 39.088 38.000 -0.600 0.000 1.350 272 I HN 0.406 nan 8.210 nan 0.000 0.464 273 L N 6.491 127.596 121.223 -0.195 0.000 2.296 273 L HA 0.699 5.039 4.340 0.000 0.000 0.286 273 L C 0.100 176.913 176.870 -0.095 0.000 1.023 273 L CA -0.431 54.337 54.840 -0.120 0.000 0.812 273 L CB 1.777 43.773 42.059 -0.105 0.000 1.223 273 L HN 0.637 nan 8.230 nan 0.000 0.421 274 T N -0.349 114.182 114.554 -0.038 0.000 2.900 274 T HA 0.940 5.290 4.350 0.000 0.000 0.295 274 T C -0.168 174.552 174.700 0.033 0.000 1.044 274 T CA -0.143 61.970 62.100 0.022 0.000 0.995 274 T CB 2.556 71.458 68.868 0.056 0.000 1.072 274 T HN 0.909 nan 8.240 nan 0.000 0.473 275 G N 1.535 110.368 108.800 0.055 0.000 2.441 275 G HA2 0.329 4.289 3.960 0.000 0.000 0.222 275 G HA3 0.329 4.289 3.960 0.000 0.000 0.222 275 G C -1.425 173.456 174.900 -0.033 0.000 1.254 275 G CA -0.819 44.270 45.100 -0.018 0.000 0.959 275 G HN 0.953 nan 8.290 nan 0.000 0.474 276 I N 1.781 122.213 120.570 -0.231 0.000 2.496 276 I HA 0.128 4.298 4.170 0.000 0.000 0.285 276 I C 0.945 176.932 176.117 -0.216 0.000 1.080 276 I CA -0.103 61.027 61.300 -0.282 0.000 1.404 276 I CB 0.926 38.526 38.000 -0.666 0.000 1.403 276 I HN 0.517 nan 8.210 nan 0.000 0.539 277 N N 7.919 126.578 118.700 -0.068 0.000 2.374 277 N HA -0.033 4.707 4.740 0.000 0.000 0.269 277 N C -1.674 173.795 175.510 -0.069 0.000 1.310 277 N CA -0.978 52.031 53.050 -0.070 0.000 0.877 277 N CB 0.840 39.301 38.487 -0.044 0.000 1.096 277 N HN 0.337 nan 8.380 nan 0.000 0.484 278 P HA -0.089 nan 4.420 nan 0.000 0.218 278 P C -0.613 176.749 177.300 0.102 0.000 1.149 278 P CA 0.971 64.088 63.100 0.029 0.000 0.817 278 P CB 0.171 31.868 31.700 -0.005 0.000 0.785 279 D N 1.298 121.724 120.400 0.044 0.000 2.414 279 D HA -0.014 4.626 4.640 0.000 0.000 0.242 279 D C 0.766 177.123 176.300 0.095 0.000 1.129 279 D CA 0.474 54.503 54.000 0.048 0.000 0.885 279 D CB 0.154 40.955 40.800 0.001 0.000 1.198 279 D HN 0.083 nan 8.370 nan 0.000 0.437 280 E N 0.376 120.631 120.200 0.091 0.000 2.586 280 E HA -0.271 4.079 4.350 0.000 0.000 0.259 280 E C -0.553 176.175 176.600 0.212 0.000 1.107 280 E CA 0.613 57.080 56.400 0.112 0.000 0.754 280 E CB -1.687 28.069 29.700 0.094 0.000 1.335 280 E HN 0.424 nan 8.360 nan 0.000 0.411 281 F N -0.353 119.614 119.950 0.027 0.000 2.573 281 F HA 0.591 5.118 4.527 0.000 0.000 0.316 281 F C -0.095 175.709 175.800 0.007 0.000 1.148 281 F CA 0.163 58.187 58.000 0.040 0.000 0.940 281 F CB 1.976 40.989 39.000 0.022 0.000 1.214 281 F HN -0.035 nan 8.300 nan 0.000 0.448 282 G N 4.883 113.215 108.800 -0.780 0.000 2.753 282 G HA2 0.329 4.289 3.960 0.000 0.000 0.295 282 G HA3 0.329 4.289 3.960 0.000 0.000 0.295 282 G C -2.683 171.769 174.900 -0.746 0.000 1.437 282 G CA -0.585 44.064 45.100 -0.752 0.000 1.094 282 G HN 0.696 nan 8.290 nan 0.000 0.540 283 W N 3.824 124.557 121.300 -0.946 0.000 2.532 283 W HA 0.364 5.024 4.660 0.000 0.000 0.321 283 W C -0.900 175.404 176.519 -0.359 0.000 1.037 283 W CA -0.841 56.132 57.345 -0.621 0.000 1.220 283 W CB 1.726 30.715 29.460 -0.784 0.000 1.361 283 W HN 0.364 nan 8.180 nan 0.000 0.468 284 N N 5.494 123.857 118.700 -0.561 0.000 2.420 284 N HA 0.081 4.821 4.740 0.000 0.000 0.262 284 N C -0.705 174.689 175.510 -0.193 0.000 1.144 284 N CA -0.092 52.755 53.050 -0.339 0.000 0.952 284 N CB 1.488 39.771 38.487 -0.339 0.000 1.081 284 N HN 0.284 nan 8.380 nan 0.000 0.480 285 L N 2.996 124.221 121.223 0.003 0.000 2.407 285 L HA 0.304 4.644 4.340 0.000 0.000 0.261 285 L C 0.439 177.351 176.870 0.070 0.000 1.108 285 L CA -0.392 54.524 54.840 0.127 0.000 0.995 285 L CB 0.066 42.218 42.059 0.155 0.000 1.349 285 L HN 0.489 nan 8.230 nan 0.000 0.423 286 A N 5.300 128.150 122.820 0.049 0.000 2.507 286 A HA 0.376 4.696 4.320 0.000 0.000 0.235 286 A C -2.210 175.411 177.584 0.061 0.000 1.070 286 A CA -0.772 51.287 52.037 0.036 0.000 0.768 286 A CB -0.604 18.411 19.000 0.024 0.000 1.011 286 A HN 0.503 nan 8.150 nan 0.000 0.502 287 P HA 0.107 nan 4.420 nan 0.000 0.262 287 P C -0.170 177.167 177.300 0.060 0.000 1.182 287 P CA 0.686 63.818 63.100 0.053 0.000 0.761 287 P CB 0.525 32.249 31.700 0.039 0.000 0.795 288 Q N -1.319 118.523 119.800 0.070 0.000 2.340 288 Q HA -0.197 4.143 4.340 0.000 0.000 0.174 288 Q C 0.369 176.425 176.000 0.092 0.000 0.585 288 Q CA 1.670 57.515 55.803 0.071 0.000 1.358 288 Q CB -2.675 26.097 28.738 0.056 0.000 1.286 288 Q HN 0.631 nan 8.270 nan 0.000 0.940 289 A N 0.994 123.883 122.820 0.115 0.000 2.272 289 A HA 0.729 5.049 4.320 0.000 0.000 0.275 289 A C 0.746 178.448 177.584 0.196 0.000 1.096 289 A CA 0.813 52.946 52.037 0.160 0.000 0.822 289 A CB 0.664 19.776 19.000 0.187 0.000 1.088 289 A HN 0.539 nan 8.150 nan 0.000 0.495 290 T N -2.699 112.001 114.554 0.242 0.000 2.864 290 T HA 0.663 5.013 4.350 0.000 0.000 0.299 290 T C -1.115 173.785 174.700 0.333 0.000 1.166 290 T CA -0.431 61.821 62.100 0.252 0.000 1.007 290 T CB 1.295 70.257 68.868 0.156 0.000 1.219 290 T HN 1.052 nan 8.240 nan 0.000 0.506 291 F N 1.338 121.364 119.950 0.127 0.000 2.573 291 F HA 0.630 5.157 4.527 0.000 0.000 0.316 291 F C -0.924 174.905 175.800 0.048 0.000 1.148 291 F CA -0.573 57.419 58.000 -0.013 0.000 0.940 291 F CB 2.408 41.317 39.000 -0.151 0.000 1.214 291 F HN 0.775 nan 8.300 nan 0.000 0.448 292 Q N 4.393 123.801 119.800 -0.653 0.000 2.347 292 Q HA 0.394 4.734 4.340 0.000 0.000 0.262 292 Q C -0.471 175.118 176.000 -0.685 0.000 0.980 292 Q CA -0.563 54.968 55.803 -0.454 0.000 0.867 292 Q CB 1.399 29.959 28.738 -0.297 0.000 1.242 292 Q HN 0.731 nan 8.270 nan 0.000 0.453 293 T N 2.513 116.873 114.554 -0.324 0.000 2.860 293 T HA 0.493 4.843 4.350 0.000 0.000 0.299 293 T C -2.106 172.452 174.700 -0.236 0.000 1.045 293 T CA -1.393 60.561 62.100 -0.243 0.000 1.071 293 T CB 0.508 69.357 68.868 -0.032 0.000 0.985 293 T HN 0.445 nan 8.240 nan 0.000 0.537 294 P HA 0.147 nan 4.420 nan 0.000 0.271 294 P C -0.119 177.114 177.300 -0.111 0.000 1.238 294 P CA -0.340 62.666 63.100 -0.156 0.000 0.794 294 P CB 0.318 31.901 31.700 -0.195 0.000 0.959 295 E N -0.131 120.026 120.200 -0.071 0.000 2.301 295 E HA 0.476 4.826 4.350 0.000 0.000 0.275 295 E C -0.494 176.096 176.600 -0.017 0.000 1.030 295 E CA -0.687 55.681 56.400 -0.053 0.000 0.852 295 E CB 0.884 30.566 29.700 -0.031 0.000 1.060 295 E HN 0.371 nan 8.360 nan 0.000 0.401 296 A N 3.640 126.447 122.820 -0.021 0.000 2.304 296 A HA 0.445 4.765 4.320 0.000 0.000 0.323 296 A C -0.470 177.122 177.584 0.013 0.000 1.195 296 A CA -0.715 51.337 52.037 0.025 0.000 0.826 296 A CB 0.521 19.546 19.000 0.041 0.000 1.184 296 A HN 0.440 nan 8.150 nan 0.000 0.496 297 I N 3.315 123.913 120.570 0.045 0.000 2.312 297 I HA 0.325 4.495 4.170 0.000 0.000 0.290 297 I C -0.726 175.379 176.117 -0.020 0.000 1.008 297 I CA -0.368 60.917 61.300 -0.026 0.000 1.226 297 I CB 0.517 38.529 38.000 0.020 0.000 1.371 297 I HN 0.401 nan 8.210 nan 0.000 0.468 298 L N 5.087 126.263 121.223 -0.079 0.000 2.334 298 L HA 0.607 4.947 4.340 0.000 0.000 0.276 298 L C 0.245 177.084 176.870 -0.052 0.000 1.014 298 L CA 0.084 54.876 54.840 -0.081 0.000 0.815 298 L CB 1.856 43.925 42.059 0.017 0.000 1.268 298 L HN 0.612 nan 8.230 nan 0.000 0.428 299 S N 1.534 117.208 115.700 -0.042 0.000 2.556 299 S HA 0.688 5.158 4.470 0.000 0.000 0.271 299 S C -1.967 172.646 174.600 0.022 0.000 1.135 299 S CA -0.437 57.775 58.200 0.020 0.000 0.858 299 S CB 1.031 64.179 63.200 -0.088 0.000 1.114 299 S HN 0.419 nan 8.310 nan 0.000 0.468 300 Y N 1.399 121.600 120.300 -0.166 0.000 2.492 300 Y HA 0.690 5.240 4.550 0.000 0.000 0.346 300 Y C -0.582 175.153 175.900 -0.276 0.000 0.997 300 Y CA -0.234 57.604 58.100 -0.437 0.000 1.025 300 Y CB 2.201 40.160 38.460 -0.834 0.000 1.263 300 Y HN 0.623 nan 8.280 nan 0.000 0.454 301 T N 2.532 116.390 114.554 -1.160 0.000 2.916 301 T HA 0.331 4.681 4.350 0.000 0.000 0.305 301 T C -0.199 173.838 174.700 -1.105 0.000 1.119 301 T CA -0.398 61.203 62.100 -0.831 0.000 1.008 301 T CB 1.435 70.070 68.868 -0.388 0.000 1.129 301 T HN 0.654 nan 8.240 nan 0.000 0.480 302 S N 2.158 117.537 115.700 -0.536 0.000 2.593 302 S HA 0.223 4.693 4.470 0.000 0.000 0.217 302 S C 1.547 176.032 174.600 -0.192 0.000 0.966 302 S CA 0.424 58.463 58.200 -0.269 0.000 0.914 302 S CB 0.136 63.326 63.200 -0.017 0.000 0.776 302 S HN 0.784 nan 8.310 nan 0.000 0.523 303 A N 0.958 123.650 122.820 -0.213 0.000 2.465 303 A HA 0.648 4.968 4.320 0.000 0.000 0.255 303 A C 0.992 178.519 177.584 -0.095 0.000 1.274 303 A CA 0.217 52.179 52.037 -0.126 0.000 0.920 303 A CB -0.384 18.542 19.000 -0.123 0.000 1.033 303 A HN 0.652 nan 8.150 nan 0.000 0.516 307 Q N 1.691 121.426 119.800 -0.108 0.000 2.181 307 Q HA 0.047 4.387 4.340 0.000 0.000 0.205 307 Q C 1.905 177.843 176.000 -0.104 0.000 0.980 307 Q CA 1.511 57.247 55.803 -0.112 0.000 0.862 307 Q CB -0.259 28.420 28.738 -0.099 0.000 0.905 307 Q HN 0.433 nan 8.270 nan 0.000 0.429 308 L N -0.530 120.643 121.223 -0.083 0.000 2.044 308 L HA -0.060 4.280 4.340 0.000 0.000 0.205 308 L C 2.100 178.934 176.870 -0.059 0.000 1.075 308 L CA 2.061 56.861 54.840 -0.068 0.000 0.747 308 L CB -0.751 41.293 42.059 -0.025 0.000 0.903 308 L HN 0.134 nan 8.230 nan 0.000 0.435 309 S N -0.653 115.018 115.700 -0.048 0.000 2.368 309 S HA -0.224 4.246 4.470 0.000 0.000 0.225 309 S C 1.837 176.359 174.600 -0.131 0.000 1.030 309 S CA 1.488 59.624 58.200 -0.106 0.000 0.999 309 S CB -0.334 62.794 63.200 -0.119 0.000 0.844 309 S HN 0.543 nan 8.310 nan 0.000 0.459 310 Q N 1.271 120.996 119.800 -0.126 0.000 2.002 310 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 310 Q C 1.444 177.388 176.000 -0.093 0.000 0.988 310 Q CA 1.124 56.858 55.803 -0.115 0.000 0.843 310 Q CB -0.323 28.320 28.738 -0.158 0.000 0.908 310 Q HN 0.734 nan 8.270 nan 0.000 0.420 314 S N -0.676 114.978 115.700 -0.077 0.000 2.368 314 S HA -0.119 4.351 4.470 0.000 0.000 0.225 314 S C 1.765 176.358 174.600 -0.012 0.000 1.030 314 S CA 2.011 60.200 58.200 -0.019 0.000 0.999 314 S CB -0.543 62.670 63.200 0.021 0.000 0.844 314 S HN 0.853 nan 8.310 nan 0.000 0.459 315 F N 0.905 120.726 119.950 -0.215 0.000 2.186 315 F HA -0.038 4.489 4.527 0.000 0.000 0.299 315 F C 1.689 177.380 175.800 -0.182 0.000 1.090 315 F CA 1.364 59.246 58.000 -0.196 0.000 1.307 315 F CB -0.419 38.367 39.000 -0.357 0.000 1.019 315 F HN 0.241 nan 8.300 nan 0.000 0.489 316 Y N 0.655 120.926 120.300 -0.047 0.000 2.200 316 Y HA -0.200 4.350 4.550 0.000 0.000 0.290 316 Y C 2.739 178.486 175.900 -0.255 0.000 1.137 316 Y CA 1.460 59.455 58.100 -0.174 0.000 1.163 316 Y CB -1.527 36.920 38.460 -0.023 0.000 0.988 316 Y HN 0.219 nan 8.280 nan 0.000 0.518 317 Q N -0.048 119.722 119.800 -0.049 0.000 2.226 317 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 317 Q C 1.954 177.822 176.000 -0.219 0.000 0.975 317 Q CA 1.472 57.183 55.803 -0.153 0.000 0.866 317 Q CB 0.015 28.626 28.738 -0.211 0.000 0.915 317 Q HN 0.589 nan 8.270 nan 0.000 0.440 318 Q N -1.842 117.770 119.800 -0.314 0.000 2.350 318 Q HA -0.003 4.337 4.340 0.000 0.000 0.225 318 Q C 0.420 175.878 176.000 -0.904 0.000 0.878 318 Q CA 0.137 55.658 55.803 -0.470 0.000 0.935 318 Q CB 0.794 29.229 28.738 -0.505 0.000 1.099 318 Q HN 0.468 nan 8.270 nan 0.000 0.527 319 H N -1.597 117.014 119.070 -0.764 0.000 3.540 319 H HA 0.155 4.711 4.556 0.000 0.000 0.259 319 H C 0.580 174.892 175.328 -1.693 0.000 1.197 319 H CA 0.154 55.383 56.048 -1.365 0.000 1.136 319 H CB 1.427 30.301 29.762 -1.480 0.000 1.605 319 H HN 0.173 nan 8.280 nan 0.000 0.657 320 L N -0.419 120.331 121.223 -0.788 0.000 2.511 320 L HA 0.277 4.617 4.340 0.000 0.000 0.173 320 L C -0.057 176.825 176.870 0.021 0.000 1.160 320 L CA 0.186 54.882 54.840 -0.240 0.000 0.964 320 L CB 0.245 42.258 42.059 -0.076 0.000 1.892 320 L HN -0.208 nan 8.230 nan 0.000 0.497 321 V N 2.888 122.778 119.914 -0.039 0.000 2.814 321 V HA -0.043 4.078 4.120 0.000 0.000 0.307 321 V C 0.463 176.550 176.094 -0.012 0.000 1.089 321 V CA 0.124 62.405 62.300 -0.032 0.000 1.212 321 V CB -0.279 31.539 31.823 -0.007 0.000 0.912 321 V HN 0.549 nan 8.190 nan 0.000 0.497 322 N N 6.597 125.228 118.700 -0.116 0.000 2.256 322 N HA -0.053 4.687 4.740 0.000 0.000 0.277 322 N C -1.543 173.978 175.510 0.019 0.000 1.362 322 N CA -0.954 52.031 53.050 -0.109 0.000 0.861 322 N CB 0.945 39.444 38.487 0.019 0.000 1.136 322 N HN 0.343 nan 8.380 nan 0.000 0.492 323 P HA -0.083 nan 4.420 nan 0.000 0.220 323 P C 1.157 178.443 177.300 -0.024 0.000 1.148 323 P CA 0.737 63.852 63.100 0.025 0.000 0.803 323 P CB 0.256 31.936 31.700 -0.032 0.000 0.782 324 R N -0.620 119.820 120.500 -0.100 0.000 2.120 324 R HA -0.050 4.290 4.340 0.000 0.000 0.234 324 R C 1.395 177.436 176.300 -0.432 0.000 1.123 324 R CA 1.741 57.672 56.100 -0.282 0.000 0.975 324 R CB -1.264 28.821 30.300 -0.358 0.000 0.866 324 R HN 0.194 nan 8.270 nan 0.000 0.446 325 F N -1.432 118.558 119.950 0.067 0.000 2.752 325 F HA 0.410 4.937 4.527 0.000 0.000 0.310 325 F C 1.983 177.851 175.800 0.114 0.000 1.097 325 F CA 0.162 58.222 58.000 0.099 0.000 1.238 325 F CB -0.076 38.990 39.000 0.111 0.000 1.061 325 F HN 0.071 nan 8.300 nan 0.000 0.591 326 A N 0.467 123.430 122.820 0.237 0.000 1.881 326 A HA -0.292 4.028 4.320 0.000 0.000 0.219 326 A C 1.056 178.613 177.584 -0.045 0.000 1.215 326 A CA 2.361 54.468 52.037 0.117 0.000 0.648 326 A CB -1.150 17.899 19.000 0.080 0.000 0.832 326 A HN 0.503 nan 8.150 nan 0.000 0.455 327 H N -0.715 118.274 119.070 -0.135 0.000 2.524 327 H HA 0.420 4.976 4.556 0.000 0.000 0.299 327 H C -0.287 174.884 175.328 -0.261 0.000 1.074 327 H CA -0.137 55.653 56.048 -0.431 0.000 1.115 327 H CB 0.040 29.594 29.762 -0.347 0.000 1.522 327 H HN 0.502 nan 8.280 nan 0.000 0.543 328 E N 1.686 121.976 120.200 0.150 0.000 2.113 328 E HA 0.114 4.464 4.350 0.000 0.000 0.273 328 E C -0.361 176.486 176.600 0.413 0.000 0.924 328 E CA -0.483 56.062 56.400 0.242 0.000 0.764 328 E CB 1.091 30.949 29.700 0.263 0.000 1.104 328 E HN 0.485 nan 8.360 nan 0.000 0.406 329 E N 2.216 122.640 120.200 0.373 0.000 2.537 329 E HA -0.122 4.228 4.350 0.000 0.000 0.269 329 E C -0.239 176.521 176.600 0.267 0.000 1.038 329 E CA 0.944 57.553 56.400 0.349 0.000 0.977 329 E CB 0.625 30.447 29.700 0.204 0.000 0.973 329 E HN 0.196 nan 8.360 nan 0.000 0.456 330 R N 2.576 123.196 120.500 0.198 0.000 2.562 330 R HA 0.309 4.649 4.340 0.000 0.000 0.298 330 R C -2.431 173.964 176.300 0.159 0.000 0.961 330 R CA -2.007 54.199 56.100 0.176 0.000 0.881 330 R CB 1.375 31.764 30.300 0.148 0.000 1.159 330 R HN 0.296 nan 8.270 nan 0.000 0.450 331 P HA -0.066 nan 4.420 nan 0.000 0.265 331 P C -0.717 176.643 177.300 0.100 0.000 1.187 331 P CA -0.057 63.096 63.100 0.089 0.000 0.766 331 P CB 0.501 32.214 31.700 0.022 0.000 0.820 332 V N 4.585 124.570 119.914 0.119 0.000 2.313 332 V HA 0.067 4.187 4.120 0.000 0.000 0.252 332 V C 0.569 176.680 176.094 0.029 0.000 1.112 332 V CA -0.190 62.186 62.300 0.127 0.000 0.984 332 V CB -0.944 30.998 31.823 0.198 0.000 1.157 332 V HN 0.322 nan 8.190 nan 0.000 0.493 333 L N 3.975 125.163 121.223 -0.058 0.000 2.439 333 L HA 0.772 5.112 4.340 0.000 0.000 0.259 333 L C -0.254 176.499 176.870 -0.194 0.000 1.129 333 L CA -0.082 54.652 54.840 -0.177 0.000 0.803 333 L CB 0.698 42.555 42.059 -0.336 0.000 1.161 333 L HN 0.409 nan 8.230 nan 0.000 0.462 334 I N 0.768 121.181 120.570 -0.263 0.000 2.910 334 I HA 0.614 4.784 4.170 0.000 0.000 0.310 334 I C -1.119 174.663 176.117 -0.557 0.000 1.043 334 I CA -0.338 60.770 61.300 -0.320 0.000 1.053 334 I CB 1.760 39.636 38.000 -0.206 0.000 1.242 334 I HN 0.857 nan 8.210 nan 0.000 0.452 335 N N 3.496 121.866 118.700 -0.549 0.000 2.537 335 N HA 0.169 4.909 4.740 0.000 0.000 0.281 335 N C -0.776 174.459 175.510 -0.459 0.000 1.097 335 N CA -0.544 52.158 53.050 -0.580 0.000 0.964 335 N CB 1.043 39.243 38.487 -0.479 0.000 1.588 335 N HN 0.734 nan 8.380 nan 0.000 0.511 336 N N 1.898 120.310 118.700 -0.479 0.000 2.571 336 N HA -0.100 4.640 4.740 0.000 0.000 0.189 336 N C 2.079 177.373 175.510 -0.360 0.000 1.154 336 N CA 0.705 53.542 53.050 -0.355 0.000 0.907 336 N CB -0.946 37.332 38.487 -0.349 0.000 0.977 336 N HN 0.646 nan 8.380 nan 0.000 0.449 337 W N 2.013 123.107 121.300 -0.344 0.000 2.278 337 W HA -0.215 4.445 4.660 0.000 0.000 0.336 337 W C 2.123 178.337 176.519 -0.508 0.000 1.322 337 W CA 1.892 59.039 57.345 -0.330 0.000 1.217 337 W CB -1.141 28.187 29.460 -0.221 0.000 1.140 337 W HN 0.308 nan 8.180 nan 0.000 0.465 338 E N 0.040 119.955 120.200 -0.474 0.000 2.489 338 E HA 0.294 4.644 4.350 0.000 0.000 0.193 338 E C 2.377 178.547 176.600 -0.717 0.000 1.057 338 E CA 0.414 56.366 56.400 -0.747 0.000 0.866 338 E CB -0.039 29.535 29.700 -0.210 0.000 0.916 338 E HN 0.529 nan 8.360 nan 0.000 0.500 339 A N 1.273 123.816 122.820 -0.462 0.000 1.861 339 A HA -0.093 4.227 4.320 0.000 0.000 0.212 339 A C 2.397 179.858 177.584 -0.205 0.000 1.199 339 A CA 1.681 53.566 52.037 -0.254 0.000 0.613 339 A CB -0.452 18.446 19.000 -0.169 0.000 0.846 339 A HN 0.298 nan 8.150 nan 0.000 0.446 340 T N -6.138 108.283 114.554 -0.222 0.000 3.018 340 T HA 0.331 4.681 4.350 0.000 0.000 0.246 340 T C 0.817 175.581 174.700 0.106 0.000 1.026 340 T CA 0.618 62.704 62.100 -0.023 0.000 1.081 340 T CB -0.290 68.570 68.868 -0.012 0.000 0.970 340 T HN 0.403 nan 8.240 nan 0.000 0.475 341 Y N 0.475 120.770 120.300 -0.007 0.000 2.903 341 Y HA -0.315 4.235 4.550 0.000 0.000 0.466 341 Y C 1.131 177.032 175.900 0.002 0.000 1.201 341 Y CA 0.718 58.770 58.100 -0.079 0.000 2.493 341 Y CB -1.576 36.905 38.460 0.035 0.000 1.237 341 Y HN 0.161 nan 8.280 nan 0.000 0.633 342 F N -0.095 120.072 119.950 0.362 0.000 2.558 342 F HA 0.056 4.583 4.527 0.000 0.000 0.298 342 F C 1.044 176.933 175.800 0.150 0.000 1.119 342 F CA 1.202 59.331 58.000 0.214 0.000 1.451 342 F CB -0.127 38.907 39.000 0.056 0.000 1.091 342 F HN 0.235 nan 8.300 nan 0.000 0.563 343 D N 0.928 121.548 120.400 0.367 0.000 2.422 343 D HA 0.286 4.926 4.640 0.000 0.000 0.227 343 D C -0.670 175.807 176.300 0.294 0.000 1.190 343 D CA 0.033 54.164 54.000 0.219 0.000 0.905 343 D CB -0.404 40.509 40.800 0.189 0.000 1.034 343 D HN 0.079 nan 8.370 nan 0.000 0.507 344 F N 1.036 121.013 119.950 0.044 0.000 2.744 344 F HA 0.503 5.030 4.527 0.000 0.000 0.311 344 F C -1.657 174.089 175.800 -0.091 0.000 1.144 344 F CA -1.277 56.720 58.000 -0.004 0.000 0.938 344 F CB 0.421 39.434 39.000 0.021 0.000 1.292 344 F HN 0.166 nan 8.300 nan 0.000 0.444 345 N N -0.567 118.134 118.700 0.003 0.000 3.038 345 N HA 0.296 5.036 4.740 0.000 0.000 0.307 345 N C -0.031 175.353 175.510 -0.211 0.000 1.441 345 N CA -0.482 52.425 53.050 -0.238 0.000 0.772 345 N CB 1.055 39.434 38.487 -0.181 0.000 1.651 345 N HN 0.873 nan 8.380 nan 0.000 0.593 346 E N -0.859 119.092 120.200 -0.414 0.000 2.204 346 E HA -0.095 4.255 4.350 0.000 0.000 0.194 346 E C 1.397 178.022 176.600 0.042 0.000 0.989 346 E CA 1.133 57.398 56.400 -0.225 0.000 0.824 346 E CB -0.197 29.459 29.700 -0.074 0.000 0.756 346 E HN 0.622 nan 8.360 nan 0.000 0.477 347 A N 1.175 124.003 122.820 0.013 0.000 1.872 347 A HA -0.140 4.180 4.320 0.000 0.000 0.214 347 A C 2.081 179.701 177.584 0.060 0.000 1.187 347 A CA 1.609 53.674 52.037 0.047 0.000 0.614 347 A CB -0.343 18.671 19.000 0.024 0.000 0.826 347 A HN 0.120 nan 8.150 nan 0.000 0.442 348 K N -0.072 120.364 120.400 0.061 0.000 2.057 348 K HA 0.031 4.351 4.320 0.000 0.000 0.206 348 K C 1.017 177.680 176.600 0.104 0.000 1.050 348 K CA 0.614 56.950 56.287 0.081 0.000 0.935 348 K CB -0.649 31.909 32.500 0.098 0.000 0.715 348 K HN 0.462 nan 8.250 nan 0.000 0.439 352 I N 0.977 121.591 120.570 0.072 0.000 3.035 352 I HA 0.162 4.332 4.170 0.000 0.000 0.271 352 I C 2.356 178.548 176.117 0.125 0.000 1.190 352 I CA 0.320 61.688 61.300 0.112 0.000 1.472 352 I CB 0.176 38.293 38.000 0.194 0.000 1.116 352 I HN 0.090 nan 8.210 nan 0.000 0.443 353 V N 1.578 121.522 119.914 0.049 0.000 2.270 353 V HA -0.263 3.857 4.120 0.000 0.000 0.245 353 V C 1.924 178.000 176.094 -0.029 0.000 1.043 353 V CA 2.307 64.594 62.300 -0.022 0.000 1.014 353 V CB -0.767 30.891 31.823 -0.274 0.000 0.645 353 V HN 0.457 nan 8.190 nan 0.000 0.447 354 N N -0.177 118.495 118.700 -0.046 0.000 2.120 354 N HA -0.256 4.485 4.740 0.000 0.000 0.188 354 N C 1.871 177.369 175.510 -0.019 0.000 1.024 354 N CA 1.193 54.219 53.050 -0.039 0.000 0.852 354 N CB -0.162 38.303 38.487 -0.037 0.000 1.003 354 N HN 0.395 nan 8.380 nan 0.000 0.424 355 Q N 1.050 120.847 119.800 -0.004 0.000 2.226 355 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 355 Q C 1.763 177.754 176.000 -0.015 0.000 0.975 355 Q CA 1.421 57.221 55.803 -0.005 0.000 0.866 355 Q CB -0.170 28.571 28.738 0.005 0.000 0.915 355 Q HN 0.391 nan 8.270 nan 0.000 0.440 356 A N 0.240 123.060 122.820 -0.000 0.000 1.897 356 A HA -0.120 4.200 4.320 0.000 0.000 0.215 356 A C 2.001 179.568 177.584 -0.028 0.000 1.181 356 A CA 1.665 53.694 52.037 -0.013 0.000 0.620 356 A CB -0.532 18.496 19.000 0.046 0.000 0.821 356 A HN 0.348 nan 8.150 nan 0.000 0.443 357 K N 0.188 120.577 120.400 -0.019 0.000 2.097 357 K HA -0.073 4.247 4.320 0.000 0.000 0.206 357 K C 1.997 178.584 176.600 -0.023 0.000 1.049 357 K CA 1.634 57.908 56.287 -0.022 0.000 0.933 357 K CB -0.299 32.185 32.500 -0.028 0.000 0.717 357 K HN 0.344 nan 8.250 nan 0.000 0.442 358 R N -0.087 120.398 120.500 -0.024 0.000 2.285 358 R HA 0.043 4.383 4.340 0.000 0.000 0.213 358 R C 1.455 177.740 176.300 -0.025 0.000 1.068 358 R CA 0.812 56.900 56.100 -0.021 0.000 1.004 358 R CB -0.017 30.273 30.300 -0.018 0.000 0.873 358 R HN 0.276 nan 8.270 nan 0.000 0.467 359 L N -2.726 118.473 121.223 -0.040 0.000 2.316 359 L HA 0.276 4.616 4.340 0.000 0.000 0.207 359 L C 1.468 178.313 176.870 -0.042 0.000 1.070 359 L CA 0.770 55.577 54.840 -0.055 0.000 0.820 359 L CB 0.500 42.493 42.059 -0.110 0.000 0.992 359 L HN 0.422 nan 8.230 nan 0.000 0.466 360 G N -0.313 108.466 108.800 -0.036 0.000 2.672 360 G HA2 -0.123 3.837 3.960 0.000 0.000 0.197 360 G HA3 -0.123 3.837 3.960 0.000 0.000 0.197 360 G C 0.289 175.186 174.900 -0.004 0.000 0.995 360 G CA -0.581 44.513 45.100 -0.009 0.000 0.754 360 G HN 0.073 nan 8.290 nan 0.000 0.505 361 I N 1.582 122.131 120.570 -0.036 0.000 3.003 361 I HA 0.246 4.416 4.170 0.000 0.000 0.294 361 I C 0.880 176.998 176.117 0.002 0.000 1.237 361 I CA 0.773 62.058 61.300 -0.025 0.000 1.417 361 I CB 0.415 38.376 38.000 -0.065 0.000 1.340 361 I HN 0.232 nan 8.210 nan 0.000 0.594 365 V N 6.771 126.353 119.914 -0.554 0.000 2.347 365 V HA 0.417 4.538 4.120 0.000 0.000 0.280 365 V C -0.412 175.446 176.094 -0.393 0.000 1.021 365 V CA -0.716 61.328 62.300 -0.426 0.000 0.847 365 V CB 1.276 32.848 31.823 -0.418 0.000 0.990 365 V HN 0.662 nan 8.190 nan 0.000 0.444 366 L N 4.823 126.027 121.223 -0.032 0.000 2.319 366 L HA 0.453 4.793 4.340 0.000 0.000 0.280 366 L C -0.041 176.894 176.870 0.109 0.000 1.099 366 L CA 0.722 55.655 54.840 0.155 0.000 0.828 366 L CB 0.804 43.017 42.059 0.257 0.000 1.150 366 L HN 0.756 nan 8.230 nan 0.000 0.442 367 D N 2.282 122.721 120.400 0.066 0.000 2.530 367 D HA 0.123 4.763 4.640 0.000 0.000 0.282 367 D C -0.589 175.794 176.300 0.138 0.000 1.204 367 D CA -0.368 53.670 54.000 0.064 0.000 1.093 367 D CB 0.617 41.302 40.800 -0.191 0.000 1.154 367 D HN 0.657 nan 8.370 nan 0.000 0.593 368 D N -0.972 119.137 120.400 -0.484 0.000 2.629 368 D HA 0.158 4.798 4.640 0.000 0.000 0.228 368 D C 0.118 176.385 176.300 -0.054 0.000 1.127 368 D CA 1.588 55.186 54.000 -0.670 0.000 0.855 368 D CB 0.368 40.486 40.800 -1.135 0.000 1.180 368 D HN 0.631 nan 8.370 nan 0.000 0.484 369 G N 4.115 112.949 108.800 0.057 0.000 2.427 369 G HA2 -0.167 3.793 3.960 0.000 0.000 0.193 369 G HA3 -0.167 3.793 3.960 0.000 0.000 0.193 369 G C 0.496 175.581 174.900 0.308 0.000 1.086 369 G CA 0.170 45.339 45.100 0.114 0.000 0.818 369 G HN 0.635 nan 8.290 nan 0.000 0.490 370 W N -0.648 120.822 121.300 0.283 0.000 2.355 370 W HA 0.557 5.217 4.660 0.000 0.000 0.303 370 W C -0.283 176.437 176.519 0.335 0.000 0.939 370 W CA -0.278 57.294 57.345 0.378 0.000 1.377 370 W CB 0.170 29.852 29.460 0.369 0.000 1.048 370 W HN 0.564 nan 8.180 nan 0.000 0.542 371 F N 0.381 120.061 119.950 -0.450 0.000 2.569 371 F HA 0.814 5.341 4.527 0.000 0.000 0.312 371 F C 0.761 176.335 175.800 -0.377 0.000 1.109 371 F CA -0.589 57.089 58.000 -0.536 0.000 0.919 371 F CB 1.336 39.544 39.000 -1.320 0.000 1.211 371 F HN 0.092 nan 8.300 nan 0.000 0.446 372 G N 2.440 111.206 108.800 -0.057 0.000 3.879 372 G HA2 -0.222 3.738 3.960 0.000 0.000 0.318 372 G HA3 -0.222 3.738 3.960 0.000 0.000 0.318 372 G C -0.186 174.755 174.900 0.068 0.000 1.344 372 G CA 0.576 45.661 45.100 -0.024 0.000 1.024 372 G HN 2.006 nan 8.290 nan 0.000 0.681 373 H N -0.302 118.629 119.070 -0.231 0.000 3.291 373 H HA 0.403 4.959 4.556 0.000 0.000 0.376 373 H C -0.671 174.510 175.328 -0.244 0.000 1.598 373 H CA -0.524 55.420 56.048 -0.174 0.000 1.599 373 H CB -0.655 29.048 29.762 -0.097 0.000 2.255 373 H HN 0.688 nan 8.280 nan 0.000 0.686 374 R N 2.033 122.341 120.500 -0.320 0.000 2.247 374 R HA 0.221 4.561 4.340 0.000 0.000 0.329 374 R C -0.634 175.602 176.300 -0.106 0.000 1.014 374 R CA -0.475 55.439 56.100 -0.310 0.000 0.907 374 R CB 1.127 31.173 30.300 -0.424 0.000 1.146 374 R HN 0.410 nan 8.270 nan 0.000 0.499 375 D N 0.436 120.720 120.400 -0.192 0.000 2.454 375 D HA 0.062 4.702 4.640 0.000 0.000 0.219 375 D C -0.018 175.926 176.300 -0.593 0.000 1.081 375 D CA 0.686 54.566 54.000 -0.199 0.000 0.867 375 D CB 0.841 41.560 40.800 -0.135 0.000 1.054 375 D HN 0.445 nan 8.370 nan 0.000 0.500 376 D N 0.694 120.676 120.400 -0.698 0.000 2.525 376 D HA 0.129 4.769 4.640 0.000 0.000 0.249 376 D C -0.216 175.504 176.300 -0.967 0.000 1.072 376 D CA -0.332 53.123 54.000 -0.909 0.000 1.067 376 D CB 1.327 41.821 40.800 -0.510 0.000 1.282 376 D HN -0.107 nan 8.370 nan 0.000 0.587 377 D N -1.483 118.515 120.400 -0.670 0.000 2.690 377 D HA 0.012 4.652 4.640 0.000 0.000 0.236 377 D C 1.046 177.257 176.300 -0.148 0.000 1.218 377 D CA -0.146 53.734 54.000 -0.201 0.000 0.829 377 D CB -0.311 40.533 40.800 0.073 0.000 1.009 377 D HN 0.277 nan 8.370 nan 0.000 0.482 378 T N -4.095 110.302 114.554 -0.261 0.000 2.975 378 T HA 0.168 4.518 4.350 0.000 0.000 0.261 378 T C 0.697 175.333 174.700 -0.106 0.000 0.984 378 T CA 0.419 62.398 62.100 -0.202 0.000 0.911 378 T CB 0.134 68.800 68.868 -0.337 0.000 1.127 378 T HN 0.230 nan 8.240 nan 0.000 0.514 379 T N -2.221 112.226 114.554 -0.177 0.000 2.883 379 T HA 0.617 4.967 4.350 0.000 0.000 0.301 379 T C 0.197 174.672 174.700 -0.375 0.000 1.158 379 T CA 0.193 62.162 62.100 -0.217 0.000 1.007 379 T CB 1.475 70.195 68.868 -0.247 0.000 1.186 379 T HN 0.066 nan 8.240 nan 0.000 0.499 380 S N -0.376 115.095 115.700 -0.382 0.000 2.765 380 S HA -0.125 4.345 4.470 0.000 0.000 0.266 380 S C 0.250 174.657 174.600 -0.322 0.000 1.302 380 S CA 0.488 58.392 58.200 -0.493 0.000 1.274 380 S CB -1.766 60.914 63.200 -0.868 0.000 1.559 380 S HN 0.842 nan 8.310 nan 0.000 0.658 381 L N 1.343 122.476 121.223 -0.149 0.000 2.477 381 L HA 0.399 4.739 4.340 0.000 0.000 0.272 381 L C 1.540 178.269 176.870 -0.236 0.000 1.157 381 L CA 1.164 55.965 54.840 -0.064 0.000 0.889 381 L CB 0.313 42.450 42.059 0.129 0.000 1.158 381 L HN 0.574 nan 8.230 nan 0.000 0.473 382 G N 2.191 110.574 108.800 -0.695 0.000 2.231 382 G HA2 -0.198 3.762 3.960 0.000 0.000 0.206 382 G HA3 -0.198 3.762 3.960 0.000 0.000 0.206 382 G C 0.049 174.525 174.900 -0.708 0.000 0.996 382 G CA -0.512 44.289 45.100 -0.498 0.000 0.645 382 G HN 0.578 nan 8.290 nan 0.000 0.498 383 D N 0.699 120.586 120.400 -0.856 0.000 2.518 383 D HA 0.382 5.022 4.640 0.000 0.000 0.230 383 D C -0.136 175.544 176.300 -1.034 0.000 1.138 383 D CA -0.470 53.007 54.000 -0.872 0.000 0.964 383 D CB -0.299 40.157 40.800 -0.574 0.000 1.011 383 D HN 0.493 nan 8.370 nan 0.000 0.517 384 W N 3.365 124.331 121.300 -0.556 0.000 1.694 384 W HA 0.213 4.873 4.660 0.000 0.000 0.425 384 W C -0.209 176.291 176.519 -0.031 0.000 0.615 384 W CA -0.948 56.185 57.345 -0.352 0.000 2.237 384 W CB -0.548 28.904 29.460 -0.013 0.000 1.478 384 W HN 0.088 nan 8.180 nan 0.000 0.427 385 F N -2.592 117.575 119.950 0.362 0.000 2.631 385 F HA 0.669 5.196 4.527 0.000 0.000 0.308 385 F C -0.110 175.949 175.800 0.431 0.000 1.097 385 F CA -3.038 55.217 58.000 0.425 0.000 0.952 385 F CB -0.277 38.894 39.000 0.284 0.000 1.307 385 F HN -0.297 nan 8.300 nan 0.000 0.450 386 V N 0.820 121.192 119.914 0.762 0.000 3.239 386 V HA -0.040 4.080 4.120 0.000 0.000 0.297 386 V C -0.167 176.226 176.094 0.499 0.000 1.206 386 V CA 0.512 63.190 62.300 0.630 0.000 1.325 386 V CB 0.237 32.310 31.823 0.418 0.000 0.981 386 V HN 0.863 nan 8.190 nan 0.000 0.513 387 D N 1.431 122.103 120.400 0.453 0.000 2.453 387 D HA 0.325 4.965 4.640 0.000 0.000 0.238 387 D C 0.471 176.941 176.300 0.283 0.000 1.088 387 D CA -0.375 53.811 54.000 0.310 0.000 0.854 387 D CB 1.341 42.279 40.800 0.229 0.000 1.076 387 D HN 0.561 nan 8.370 nan 0.000 0.533 388 Q N 2.272 122.191 119.800 0.199 0.000 2.373 388 Q HA 0.143 4.483 4.340 0.000 0.000 0.206 388 Q C 1.224 177.272 176.000 0.079 0.000 0.942 388 Q CA 0.208 56.104 55.803 0.156 0.000 0.953 388 Q CB 0.601 29.410 28.738 0.118 0.000 1.022 388 Q HN 0.377 nan 8.270 nan 0.000 0.502 389 R N 0.417 120.947 120.500 0.050 0.000 2.140 389 R HA 0.022 4.362 4.340 0.000 0.000 0.213 389 R C 1.407 177.652 176.300 -0.092 0.000 1.059 389 R CA 0.876 56.963 56.100 -0.021 0.000 1.000 389 R CB 0.261 30.541 30.300 -0.033 0.000 0.910 389 R HN 0.095 nan 8.270 nan 0.000 0.455 390 K N -0.759 119.556 120.400 -0.141 0.000 2.391 390 K HA 0.177 4.497 4.320 0.000 0.000 0.197 390 K C -0.421 175.783 176.600 -0.660 0.000 1.087 390 K CA 0.170 56.211 56.287 -0.409 0.000 1.012 390 K CB 0.855 32.999 32.500 -0.593 0.000 0.925 390 K HN -0.040 nan 8.250 nan 0.000 0.547 391 F N 1.229 121.202 119.950 0.039 0.000 2.686 391 F HA 0.300 4.827 4.527 0.000 0.000 0.365 391 F C -2.241 173.597 175.800 0.064 0.000 1.196 391 F CA -2.416 55.621 58.000 0.061 0.000 1.198 391 F CB 1.620 40.667 39.000 0.078 0.000 1.454 391 F HN -0.199 nan 8.300 nan 0.000 0.539 392 P HA -0.145 nan 4.420 nan 0.000 0.215 392 P C 0.787 178.131 177.300 0.073 0.000 1.157 392 P CA 1.540 64.685 63.100 0.075 0.000 0.868 392 P CB 0.340 32.049 31.700 0.014 0.000 0.788 393 D N -1.319 119.115 120.400 0.056 0.000 2.328 393 D HA 0.195 4.835 4.640 0.000 0.000 0.226 393 D C 1.400 177.776 176.300 0.128 0.000 1.066 393 D CA 0.842 54.853 54.000 0.018 0.000 0.861 393 D CB 0.049 40.727 40.800 -0.204 0.000 0.912 393 D HN 0.138 nan 8.370 nan 0.000 0.521 394 G N 1.154 110.070 108.800 0.194 0.000 2.527 394 G HA2 -0.262 3.698 3.960 0.000 0.000 0.227 394 G HA3 -0.262 3.698 3.960 0.000 0.000 0.227 394 G C 0.483 175.480 174.900 0.162 0.000 1.291 394 G CA -0.188 45.032 45.100 0.200 0.000 0.904 394 G HN 0.108 nan 8.290 nan 0.000 0.577 395 I N 2.008 122.606 120.570 0.047 0.000 3.172 395 I HA 0.093 4.263 4.170 0.000 0.000 0.278 395 I C 2.673 178.787 176.117 -0.005 0.000 1.174 395 I CA 1.760 63.004 61.300 -0.093 0.000 1.445 395 I CB -1.128 36.746 38.000 -0.210 0.000 1.175 395 I HN 0.746 nan 8.210 nan 0.000 0.447 396 E N 0.974 121.199 120.200 0.042 0.000 2.267 396 E HA -0.286 4.064 4.350 0.000 0.000 0.197 396 E C 1.864 178.495 176.600 0.052 0.000 0.998 396 E CA 1.312 57.734 56.400 0.037 0.000 0.830 396 E CB -1.053 28.684 29.700 0.061 0.000 0.751 396 E HN 0.609 nan 8.360 nan 0.000 0.491 397 H N -0.220 118.862 119.070 0.020 0.000 2.448 397 H HA -0.007 4.549 4.556 0.000 0.000 0.292 397 H C 1.527 176.853 175.328 -0.003 0.000 1.035 397 H CA 0.869 56.931 56.048 0.024 0.000 1.349 397 H CB -0.193 29.610 29.762 0.068 0.000 1.425 397 H HN 0.219 nan 8.280 nan 0.000 0.539 398 F N 1.996 121.823 119.950 -0.206 0.000 2.293 398 F HA -0.087 4.440 4.527 0.000 0.000 0.297 398 F C 2.679 178.133 175.800 -0.577 0.000 1.089 398 F CA 1.330 59.135 58.000 -0.324 0.000 1.377 398 F CB -0.227 38.686 39.000 -0.145 0.000 1.051 398 F HN 0.215 nan 8.300 nan 0.000 0.511 399 S N -0.343 114.941 115.700 -0.693 0.000 2.387 399 S HA -0.222 4.248 4.470 0.000 0.000 0.226 399 S C 1.976 176.256 174.600 -0.534 0.000 1.026 399 S CA 1.030 58.631 58.200 -0.999 0.000 0.972 399 S CB -0.771 61.932 63.200 -0.829 0.000 0.814 399 S HN 0.545 nan 8.310 nan 0.000 0.477 400 Q N 2.163 121.793 119.800 -0.283 0.000 2.030 400 Q HA -0.015 4.325 4.340 0.000 0.000 0.204 400 Q C 2.268 178.101 176.000 -0.278 0.000 0.986 400 Q CA 1.995 57.705 55.803 -0.155 0.000 0.843 400 Q CB -1.022 27.630 28.738 -0.145 0.000 0.904 400 Q HN 0.675 nan 8.270 nan 0.000 0.420 401 A N -0.735 121.810 122.820 -0.459 0.000 1.997 401 A HA -0.191 4.129 4.320 0.000 0.000 0.221 401 A C 2.175 179.485 177.584 -0.455 0.000 1.172 401 A CA 1.871 53.628 52.037 -0.467 0.000 0.645 401 A CB -0.642 18.007 19.000 -0.585 0.000 0.813 401 A HN 0.320 nan 8.150 nan 0.000 0.454 402 V N -1.335 118.224 119.914 -0.593 0.000 2.599 402 V HA -0.088 4.032 4.120 0.000 0.000 0.245 402 V C 2.244 178.124 176.094 -0.357 0.000 1.046 402 V CA 1.355 63.328 62.300 -0.546 0.000 1.065 402 V CB -0.844 30.543 31.823 -0.726 0.000 0.703 402 V HN 0.645 nan 8.190 nan 0.000 0.464 403 H N 0.389 119.341 119.070 -0.198 0.000 2.423 403 H HA -0.093 4.464 4.556 0.000 0.000 0.297 403 H C 2.337 177.608 175.328 -0.095 0.000 1.075 403 H CA 1.490 57.474 56.048 -0.106 0.000 1.342 403 H CB 0.011 29.721 29.762 -0.087 0.000 1.395 403 H HN 0.533 nan 8.280 nan 0.000 0.530 404 Q N 0.299 120.091 119.800 -0.013 0.000 2.224 404 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 404 Q C 1.740 177.712 176.000 -0.046 0.000 0.970 404 Q CA 0.623 56.406 55.803 -0.034 0.000 0.865 404 Q CB 0.195 28.894 28.738 -0.065 0.000 0.922 404 Q HN 0.382 nan 8.270 nan 0.000 0.445 405 Q N -0.255 119.499 119.800 -0.077 0.000 2.444 405 Q HA 0.111 4.451 4.340 0.000 0.000 0.206 405 Q C 0.555 176.531 176.000 -0.039 0.000 0.948 405 Q CA 0.751 56.514 55.803 -0.068 0.000 0.946 405 Q CB 0.806 29.484 28.738 -0.100 0.000 1.027 405 Q HN 0.386 nan 8.270 nan 0.000 0.513 409 F N 0.180 120.079 119.950 -0.084 0.000 2.581 409 F HA 0.740 5.267 4.527 0.000 0.000 0.311 409 F C -0.796 175.026 175.800 0.036 0.000 1.113 409 F CA -0.089 57.868 58.000 -0.071 0.000 0.935 409 F CB 2.231 41.088 39.000 -0.238 0.000 1.232 409 F HN 0.515 nan 8.300 nan 0.000 0.445 410 G N 4.203 112.542 108.800 -0.769 0.000 2.695 410 G HA2 0.691 4.651 3.960 0.000 0.000 0.290 410 G HA3 0.691 4.651 3.960 0.000 0.000 0.290 410 G C -2.347 172.149 174.900 -0.675 0.000 1.410 410 G CA -0.735 44.069 45.100 -0.494 0.000 0.844 410 G HN 1.063 nan 8.290 nan 0.000 0.478 411 L N -2.883 118.152 121.223 -0.313 0.000 2.403 411 L HA 0.902 5.242 4.340 0.000 0.000 0.253 411 L C -1.077 175.853 176.870 0.101 0.000 1.045 411 L CA -1.373 53.347 54.840 -0.199 0.000 0.845 411 L CB 1.653 43.424 42.059 -0.480 0.000 1.447 411 L HN 0.670 nan 8.230 nan 0.000 0.411 412 W N 1.144 122.488 121.300 0.074 0.000 2.313 412 W HA 0.738 5.398 4.660 0.000 0.000 0.328 412 W C -1.613 174.949 176.519 0.072 0.000 1.197 412 W CA 0.067 57.513 57.345 0.169 0.000 1.235 412 W CB 1.096 30.698 29.460 0.236 0.000 1.158 412 W HN 0.393 nan 8.180 nan 0.000 0.578 413 F N 3.121 122.440 119.950 -1.053 0.000 2.615 413 F HA 0.188 4.715 4.527 0.000 0.000 0.312 413 F C -0.245 174.614 175.800 -1.568 0.000 1.119 413 F CA -1.082 56.121 58.000 -1.329 0.000 0.979 413 F CB 2.177 40.525 39.000 -1.086 0.000 1.266 413 F HN 0.324 nan 8.300 nan 0.000 0.444 414 E N 4.875 124.477 120.200 -0.996 0.000 3.588 414 E HA 0.207 4.557 4.350 0.000 0.000 0.213 414 E C -1.882 174.601 176.600 -0.195 0.000 1.168 414 E CA -1.569 54.602 56.400 -0.380 0.000 1.254 414 E CB 0.817 30.584 29.700 0.111 0.000 1.302 414 E HN 0.256 nan 8.360 nan 0.000 0.429 415 P HA -0.236 nan 4.420 nan 0.000 0.217 415 P C 0.143 177.389 177.300 -0.090 0.000 1.158 415 P CA 1.429 64.168 63.100 -0.601 0.000 0.887 415 P CB 0.338 31.385 31.700 -1.089 0.000 0.792 419 S N 4.084 119.821 115.700 0.062 0.000 2.585 419 S HA 0.373 4.843 4.470 0.000 0.000 0.273 419 S C 1.141 175.753 174.600 0.020 0.000 1.339 419 S CA 0.155 58.406 58.200 0.085 0.000 1.028 419 S CB 1.811 65.041 63.200 0.050 0.000 0.906 419 S HN 0.813 nan 8.310 nan 0.000 0.528 420 V N 1.623 121.566 119.914 0.049 0.000 2.287 420 V HA -0.132 3.988 4.120 0.000 0.000 0.248 420 V C 1.371 177.642 176.094 0.295 0.000 1.053 420 V CA 1.588 63.951 62.300 0.105 0.000 1.027 420 V CB -0.312 31.592 31.823 0.135 0.000 0.646 420 V HN 0.800 nan 8.190 nan 0.000 0.447 421 D N 1.425 121.921 120.400 0.160 0.000 2.597 421 D HA 0.168 4.808 4.640 0.000 0.000 0.228 421 D C 0.027 176.389 176.300 0.103 0.000 1.120 421 D CA 0.492 54.569 54.000 0.129 0.000 1.083 421 D CB -0.215 40.641 40.800 0.094 0.000 1.116 421 D HN 0.569 nan 8.370 nan 0.000 0.487 422 S N 0.868 116.654 115.700 0.143 0.000 2.565 422 S HA 0.167 4.637 4.470 0.000 0.000 0.269 422 S C 0.622 175.303 174.600 0.135 0.000 1.153 422 S CA -0.855 57.405 58.200 0.100 0.000 0.835 422 S CB 1.985 65.209 63.200 0.040 0.000 1.122 422 S HN -0.016 nan 8.310 nan 0.000 0.462 423 D N 0.888 121.363 120.400 0.125 0.000 2.078 423 D HA -0.100 4.540 4.640 0.000 0.000 0.193 423 D C 1.772 178.152 176.300 0.134 0.000 0.990 423 D CA 1.777 55.866 54.000 0.148 0.000 0.827 423 D CB -0.356 40.590 40.800 0.243 0.000 0.975 423 D HN 0.566 nan 8.370 nan 0.000 0.451 424 L N -0.028 121.274 121.223 0.131 0.000 2.137 424 L HA -0.267 4.073 4.340 0.000 0.000 0.213 424 L C 2.479 179.448 176.870 0.165 0.000 1.085 424 L CA 1.319 56.233 54.840 0.125 0.000 0.760 424 L CB -0.366 41.754 42.059 0.102 0.000 0.893 424 L HN 0.203 nan 8.230 nan 0.000 0.434 425 Y N 0.944 121.252 120.300 0.013 0.000 2.070 425 Y HA -0.316 4.234 4.550 0.000 0.000 0.279 425 Y C 2.606 178.485 175.900 -0.035 0.000 1.134 425 Y CA 1.928 60.025 58.100 -0.004 0.000 1.113 425 Y CB -0.903 37.549 38.460 -0.014 0.000 0.981 425 Y HN 0.289 nan 8.280 nan 0.000 0.487 426 Q N -0.367 119.395 119.800 -0.063 0.000 2.297 426 Q HA -0.218 4.122 4.340 0.000 0.000 0.208 426 Q C 1.904 177.819 176.000 -0.142 0.000 0.981 426 Q CA 1.725 57.411 55.803 -0.196 0.000 0.876 426 Q CB -0.103 28.555 28.738 -0.133 0.000 0.921 426 Q HN 0.636 nan 8.270 nan 0.000 0.446 427 Q N -1.085 118.662 119.800 -0.089 0.000 2.391 427 Q HA 0.038 4.378 4.340 0.000 0.000 0.211 427 Q C 0.176 175.957 176.000 -0.365 0.000 0.908 427 Q CA 0.717 56.412 55.803 -0.179 0.000 0.920 427 Q CB 0.664 29.343 28.738 -0.099 0.000 1.056 427 Q HN 0.498 nan 8.270 nan 0.000 0.523 428 H N -0.402 118.542 119.070 -0.210 0.000 2.823 428 H HA 0.164 4.720 4.556 0.000 0.000 0.222 428 H C -2.046 173.232 175.328 -0.083 0.000 1.414 428 H CA -1.155 54.671 56.048 -0.370 0.000 1.289 428 H CB 1.097 30.388 29.762 -0.786 0.000 1.970 428 H HN 0.037 nan 8.280 nan 0.000 0.517 429 P HA -0.084 nan 4.420 nan 0.000 0.237 429 P C 0.789 178.226 177.300 0.229 0.000 1.178 429 P CA 0.707 64.002 63.100 0.326 0.000 0.766 429 P CB 0.315 32.115 31.700 0.167 0.000 0.876 430 D N -2.209 118.286 120.400 0.159 0.000 2.347 430 D HA -0.124 4.516 4.640 0.000 0.000 0.215 430 D C 0.964 177.495 176.300 0.386 0.000 0.976 430 D CA 0.567 54.692 54.000 0.209 0.000 0.884 430 D CB -0.589 40.295 40.800 0.140 0.000 0.915 430 D HN 0.225 nan 8.370 nan 0.000 0.526 431 W N 0.845 122.219 121.300 0.125 0.000 3.107 431 W HA 0.333 4.993 4.660 0.000 0.000 0.293 431 W C 0.327 176.882 176.519 0.060 0.000 1.239 431 W CA -1.048 56.330 57.345 0.056 0.000 1.653 431 W CB -0.484 28.951 29.460 -0.042 0.000 1.068 431 W HN -0.108 nan 8.180 nan 0.000 0.615 432 L N 1.148 122.536 121.223 0.274 0.000 2.455 432 L HA 0.114 4.454 4.340 0.000 0.000 0.272 432 L C 0.467 177.469 176.870 0.219 0.000 1.174 432 L CA 0.227 55.167 54.840 0.166 0.000 0.869 432 L CB 0.326 42.394 42.059 0.015 0.000 1.130 432 L HN -0.246 nan 8.230 nan 0.000 0.474 433 I N 5.808 126.511 120.570 0.223 0.000 2.517 433 I HA 0.113 4.283 4.170 0.000 0.000 0.285 433 I C -0.059 176.257 176.117 0.331 0.000 1.106 433 I CA 0.342 61.790 61.300 0.246 0.000 1.402 433 I CB -0.161 37.962 38.000 0.203 0.000 1.399 433 I HN 0.591 nan 8.210 nan 0.000 0.535 434 H N 5.583 124.785 119.070 0.221 0.000 3.153 434 H HA 0.363 4.919 4.556 0.000 0.000 0.323 434 H C -1.644 173.819 175.328 0.226 0.000 1.096 434 H CA -0.767 55.398 56.048 0.196 0.000 1.385 434 H CB 1.476 31.321 29.762 0.138 0.000 2.027 434 H HN 0.645 nan 8.280 nan 0.000 0.499 435 A N 6.021 128.572 122.820 -0.449 0.000 2.366 435 A HA 0.380 4.700 4.320 0.000 0.000 0.272 435 A C -1.754 175.344 177.584 -0.809 0.000 1.135 435 A CA -1.311 50.385 52.037 -0.569 0.000 0.804 435 A CB 0.528 19.299 19.000 -0.382 0.000 1.064 435 A HN 0.611 nan 8.150 nan 0.000 0.499 436 P HA -0.201 nan 4.420 nan 0.000 0.214 436 P C 0.821 178.041 177.300 -0.134 0.000 1.172 436 P CA 1.820 64.760 63.100 -0.266 0.000 0.925 436 P CB 0.170 31.700 31.700 -0.284 0.000 0.793 437 K N -0.908 119.394 120.400 -0.163 0.000 2.404 437 K HA 0.102 4.422 4.320 0.000 0.000 0.194 437 K C 0.504 177.083 176.600 -0.034 0.000 1.023 437 K CA -0.003 56.246 56.287 -0.063 0.000 1.094 437 K CB -0.062 32.400 32.500 -0.064 0.000 0.841 437 K HN 0.224 nan 8.250 nan 0.000 0.523 438 S N -0.257 115.387 115.700 -0.093 0.000 2.586 438 S HA 0.219 4.689 4.470 0.000 0.000 0.274 438 S C 0.102 174.773 174.600 0.118 0.000 1.281 438 S CA -0.830 57.347 58.200 -0.037 0.000 1.035 438 S CB 1.398 64.524 63.200 -0.123 0.000 0.962 438 S HN -0.006 nan 8.310 nan 0.000 0.512 439 T N 4.810 119.428 114.554 0.107 0.000 2.727 439 T HA 0.342 4.692 4.350 0.000 0.000 0.295 439 T C -2.235 172.577 174.700 0.187 0.000 0.915 439 T CA -0.879 61.308 62.100 0.144 0.000 1.066 439 T CB 0.143 69.064 68.868 0.089 0.000 0.891 439 T HN 0.571 nan 8.240 nan 0.000 0.516 440 P HA 0.120 nan 4.420 nan 0.000 0.267 440 P C -0.456 177.034 177.300 0.315 0.000 1.205 440 P CA -0.214 63.107 63.100 0.369 0.000 0.765 440 P CB 0.481 32.409 31.700 0.379 0.000 0.828 441 T N 6.026 120.711 114.554 0.218 0.000 2.753 441 T HA 0.332 4.682 4.350 0.000 0.000 0.297 441 T C -2.194 172.429 174.700 -0.128 0.000 0.981 441 T CA -1.380 60.757 62.100 0.062 0.000 0.956 441 T CB 0.354 69.240 68.868 0.031 0.000 0.936 441 T HN 0.350 nan 8.240 nan 0.000 0.463 442 P HA 0.300 nan 4.420 nan 0.000 0.281 442 P C -0.099 176.948 177.300 -0.422 0.000 1.286 442 P CA -0.325 62.419 63.100 -0.592 0.000 0.772 442 P CB 0.713 32.229 31.700 -0.307 0.000 0.862 443 G N 3.460 111.999 108.800 -0.435 0.000 2.377 443 G HA2 0.290 4.250 3.960 0.000 0.000 0.316 443 G HA3 0.290 4.250 3.960 0.000 0.000 0.316 443 G C 0.336 175.080 174.900 -0.260 0.000 1.115 443 G CA -0.763 44.169 45.100 -0.279 0.000 0.952 443 G HN 0.614 nan 8.290 nan 0.000 0.441 444 R N 2.404 122.727 120.500 -0.295 0.000 3.422 444 R HA -0.235 4.105 4.340 0.000 0.000 0.267 444 R C 0.184 176.430 176.300 -0.088 0.000 1.074 444 R CA 0.879 56.853 56.100 -0.210 0.000 0.718 444 R CB -2.015 28.269 30.300 -0.027 0.000 1.157 444 R HN 1.102 nan 8.270 nan 0.000 0.440 445 H N -2.482 116.522 119.070 -0.109 0.000 2.820 445 H HA -0.253 4.303 4.556 0.000 0.000 0.295 445 H C -0.056 175.248 175.328 -0.041 0.000 1.187 445 H CA 1.802 57.811 56.048 -0.065 0.000 1.144 445 H CB -1.371 28.372 29.762 -0.031 0.000 1.354 445 H HN 0.806 nan 8.280 nan 0.000 0.395 446 Q N -1.224 118.505 119.800 -0.118 0.000 2.495 446 Q HA 0.776 5.116 4.340 0.000 0.000 0.287 446 Q C -0.966 174.826 176.000 -0.348 0.000 1.078 446 Q CA -1.136 54.650 55.803 -0.029 0.000 0.793 446 Q CB 2.258 31.041 28.738 0.076 0.000 1.459 446 Q HN 0.048 nan 8.270 nan 0.000 0.422 447 F N -0.444 119.516 119.950 0.015 0.000 2.691 447 F HA 0.752 5.279 4.527 0.000 0.000 0.334 447 F C -0.573 175.259 175.800 0.054 0.000 1.107 447 F CA -1.164 56.846 58.000 0.018 0.000 0.991 447 F CB 1.779 40.758 39.000 -0.035 0.000 1.400 447 F HN 0.427 nan 8.300 nan 0.000 0.503 448 V N 2.376 122.451 119.914 0.269 0.000 2.680 448 V HA 0.638 4.758 4.120 0.000 0.000 0.309 448 V C -1.076 175.150 176.094 0.220 0.000 1.052 448 V CA -0.805 61.629 62.300 0.223 0.000 0.908 448 V CB 1.789 33.730 31.823 0.198 0.000 1.001 448 V HN 0.618 nan 8.190 nan 0.000 0.431 449 L N 4.727 126.073 121.223 0.205 0.000 2.371 449 L HA 0.416 4.756 4.340 0.000 0.000 0.272 449 L C 0.680 177.628 176.870 0.130 0.000 1.124 449 L CA -0.189 54.733 54.840 0.138 0.000 0.816 449 L CB 0.780 42.878 42.059 0.065 0.000 1.129 449 L HN 0.753 nan 8.230 nan 0.000 0.448 453 R N 0.877 121.286 120.500 -0.152 0.000 2.198 453 R HA 0.389 4.729 4.340 0.000 0.000 0.339 453 R C -2.043 174.149 176.300 -0.180 0.000 1.020 453 R CA -1.903 54.095 56.100 -0.170 0.000 0.864 453 R CB 0.983 31.116 30.300 -0.279 0.000 1.105 453 R HN 0.029 nan 8.270 nan 0.000 0.463 454 P HA -0.271 nan 4.420 nan 0.000 0.217 454 P C 0.889 178.141 177.300 -0.080 0.000 1.148 454 P CA 1.289 64.344 63.100 -0.075 0.000 0.834 454 P CB 0.268 31.952 31.700 -0.027 0.000 0.783 455 E N -0.620 119.538 120.200 -0.070 0.000 2.427 455 E HA -0.042 4.308 4.350 0.000 0.000 0.196 455 E C 1.592 178.089 176.600 -0.172 0.000 1.028 455 E CA 0.785 57.182 56.400 -0.005 0.000 0.864 455 E CB -0.933 28.858 29.700 0.152 0.000 0.813 455 E HN 0.120 nan 8.360 nan 0.000 0.514 456 V N 1.285 120.895 119.914 -0.508 0.000 2.407 456 V HA -0.175 3.945 4.120 0.000 0.000 0.245 456 V C 2.607 178.532 176.094 -0.281 0.000 1.041 456 V CA 1.110 62.947 62.300 -0.772 0.000 1.040 456 V CB -0.254 30.992 31.823 -0.960 0.000 0.671 456 V HN 0.082 nan 8.190 nan 0.000 0.455 457 V N 0.333 120.125 119.914 -0.203 0.000 2.214 457 V HA -0.328 3.792 4.120 0.000 0.000 0.247 457 V C 2.368 178.459 176.094 -0.004 0.000 1.051 457 V CA 2.424 64.659 62.300 -0.109 0.000 1.003 457 V CB -0.851 30.902 31.823 -0.117 0.000 0.635 457 V HN 0.500 nan 8.190 nan 0.000 0.447 458 D N -0.977 119.434 120.400 0.018 0.000 2.268 458 D HA -0.300 4.340 4.640 0.000 0.000 0.189 458 D C 1.929 178.342 176.300 0.189 0.000 1.010 458 D CA 2.472 56.540 54.000 0.114 0.000 0.862 458 D CB -0.535 40.333 40.800 0.113 0.000 0.943 458 D HN 0.649 nan 8.370 nan 0.000 0.451 459 Y N 0.789 121.139 120.300 0.083 0.000 2.207 459 Y HA -0.167 4.383 4.550 0.000 0.000 0.287 459 Y C 2.281 178.239 175.900 0.096 0.000 1.156 459 Y CA 1.335 59.524 58.100 0.148 0.000 1.182 459 Y CB -0.229 38.388 38.460 0.262 0.000 0.979 459 Y HN -0.013 nan 8.280 nan 0.000 0.521 460 L N -1.690 119.607 121.223 0.124 0.000 2.162 460 L HA -0.099 4.241 4.340 0.000 0.000 0.205 460 L C 2.189 178.964 176.870 -0.158 0.000 1.086 460 L CA 0.670 55.477 54.840 -0.054 0.000 0.778 460 L CB -0.618 41.383 42.059 -0.098 0.000 0.928 460 L HN 0.245 nan 8.230 nan 0.000 0.446 461 F N 1.573 121.407 119.950 -0.192 0.000 2.069 461 F HA -0.308 4.219 4.527 0.000 0.000 0.298 461 F C 2.551 178.264 175.800 -0.145 0.000 1.113 461 F CA 1.923 59.822 58.000 -0.168 0.000 1.214 461 F CB -0.144 38.805 39.000 -0.084 0.000 0.978 461 F HN -0.158 nan 8.300 nan 0.000 0.474 462 K N 0.730 121.055 120.400 -0.126 0.000 2.063 462 K HA -0.099 4.221 4.320 0.000 0.000 0.208 462 K C 1.053 177.507 176.600 -0.242 0.000 1.048 462 K CA 0.970 57.140 56.287 -0.194 0.000 0.928 462 K CB -0.720 31.743 32.500 -0.062 0.000 0.713 462 K HN 0.337 nan 8.250 nan 0.000 0.442 469 E N 0.898 121.104 120.200 0.011 0.000 2.112 469 E HA -0.126 4.224 4.350 0.000 0.000 0.190 469 E C 1.930 178.563 176.600 0.055 0.000 0.979 469 E CA 1.463 57.908 56.400 0.074 0.000 0.814 469 E CB 0.101 29.861 29.700 0.101 0.000 0.762 469 E HN 0.360 nan 8.360 nan 0.000 0.460 470 S N 0.590 116.319 115.700 0.049 0.000 2.370 470 S HA -0.165 4.305 4.470 0.000 0.000 0.226 470 S C 1.853 176.488 174.600 0.058 0.000 1.033 470 S CA 1.457 59.691 58.200 0.056 0.000 1.011 470 S CB -0.022 63.219 63.200 0.069 0.000 0.852 470 S HN 0.283 nan 8.310 nan 0.000 0.457 471 A N 0.177 123.040 122.820 0.072 0.000 2.390 471 A HA 0.401 4.721 4.320 0.000 0.000 0.232 471 A C 0.637 178.328 177.584 0.178 0.000 1.233 471 A CA 0.061 52.162 52.037 0.107 0.000 0.907 471 A CB -0.220 18.869 19.000 0.148 0.000 0.967 471 A HN 0.603 nan 8.150 nan 0.000 0.512 472 N N 0.090 118.864 118.700 0.123 0.000 2.735 472 N HA -0.132 4.608 4.740 0.000 0.000 0.248 472 N C -0.459 175.176 175.510 0.209 0.000 1.083 472 N CA 0.543 53.661 53.050 0.114 0.000 0.703 472 N CB -1.266 37.217 38.487 -0.007 0.000 1.005 472 N HN 0.528 nan 8.380 nan 0.000 0.550 473 L N 0.800 122.126 121.223 0.171 0.000 2.578 473 L HA -0.084 4.256 4.340 0.000 0.000 0.279 473 L C 1.497 178.437 176.870 0.116 0.000 1.227 473 L CA 0.813 55.740 54.840 0.144 0.000 0.900 473 L CB 0.294 42.348 42.059 -0.008 0.000 1.144 473 L HN 0.120 nan 8.230 nan 0.000 0.496 474 D N 2.209 122.699 120.400 0.151 0.000 2.367 474 D HA 0.027 4.667 4.640 0.000 0.000 0.207 474 D C -0.417 175.951 176.300 0.113 0.000 1.034 474 D CA 0.711 54.802 54.000 0.152 0.000 0.861 474 D CB 0.700 41.620 40.800 0.199 0.000 0.943 474 D HN 0.427 nan 8.370 nan 0.000 0.515 475 Y N 0.271 120.466 120.300 -0.174 0.000 2.521 475 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 475 Y C -2.246 173.466 175.900 -0.313 0.000 1.176 475 Y CA -0.922 57.025 58.100 -0.255 0.000 1.079 475 Y CB 0.875 39.226 38.460 -0.181 0.000 1.341 475 Y HN -0.279 nan 8.280 nan 0.000 0.456 476 I N 6.358 126.436 120.570 -0.820 0.000 2.468 476 I HA 0.327 4.497 4.170 0.000 0.000 0.284 476 I C -0.885 174.949 176.117 -0.472 0.000 1.038 476 I CA -0.922 60.056 61.300 -0.535 0.000 1.083 476 I CB 1.849 39.480 38.000 -0.615 0.000 1.223 476 I HN 0.528 nan 8.210 nan 0.000 0.443 477 K N 6.540 126.840 120.400 -0.167 0.000 2.310 477 K HA 0.070 4.390 4.320 0.000 0.000 0.290 477 K C -0.901 175.726 176.600 0.044 0.000 1.077 477 K CA -0.387 55.917 56.287 0.028 0.000 0.922 477 K CB 0.754 33.419 32.500 0.275 0.000 1.057 477 K HN 0.525 nan 8.250 nan 0.000 0.479 478 W N 7.295 128.545 121.300 -0.084 0.000 2.309 478 W HA 0.223 4.883 4.660 0.000 0.000 0.332 478 W C -0.805 175.658 176.519 -0.093 0.000 0.962 478 W CA -0.995 56.269 57.345 -0.135 0.000 1.497 478 W CB 0.025 29.458 29.460 -0.045 0.000 1.308 478 W HN 0.656 nan 8.180 nan 0.000 0.384 482 R N -1.821 118.609 120.500 -0.117 0.000 2.752 482 R HA 0.421 4.761 4.340 0.000 0.000 0.277 482 R C -2.024 174.112 176.300 -0.272 0.000 1.024 482 R CA -0.719 55.250 56.100 -0.218 0.000 0.866 482 R CB 0.714 30.955 30.300 -0.099 0.000 1.278 482 R HN -0.151 nan 8.270 nan 0.000 0.473 483 Y N 0.368 120.690 120.300 0.036 0.000 2.352 483 Y HA 0.653 5.203 4.550 0.000 0.000 0.339 483 Y C 0.442 176.334 175.900 -0.012 0.000 0.992 483 Y CA -0.391 57.721 58.100 0.020 0.000 1.100 483 Y CB 2.259 40.740 38.460 0.035 0.000 1.192 483 Y HN 0.872 nan 8.280 nan 0.000 0.458 484 A N 2.352 125.246 122.820 0.124 0.000 2.531 484 A HA 0.505 4.825 4.320 0.000 0.000 0.236 484 A C 0.043 177.665 177.584 0.064 0.000 1.062 484 A CA 0.282 52.351 52.037 0.053 0.000 0.760 484 A CB -0.085 18.897 19.000 -0.030 0.000 0.995 484 A HN 0.717 nan 8.150 nan 0.000 0.501 485 T N 1.702 116.300 114.554 0.073 0.000 2.900 485 T HA 0.583 4.933 4.350 0.000 0.000 0.295 485 T C -0.639 174.120 174.700 0.098 0.000 1.044 485 T CA -0.098 62.045 62.100 0.072 0.000 0.995 485 T CB 1.207 70.110 68.868 0.058 0.000 1.072 485 T HN 0.897 nan 8.240 nan 0.000 0.473 489 S N 2.268 117.578 115.700 -0.651 0.000 2.519 489 S HA 0.428 4.898 4.470 0.000 0.000 0.309 489 S C 0.396 174.571 174.600 -0.708 0.000 1.100 489 S CA 0.053 57.998 58.200 -0.425 0.000 1.059 489 S CB 1.402 64.462 63.200 -0.233 0.000 1.008 489 S HN 0.834 nan 8.310 nan 0.000 0.478 490 S N 4.015 119.554 115.700 -0.268 0.000 2.607 490 S HA -0.002 4.468 4.470 0.000 0.000 0.224 490 S C 1.475 176.035 174.600 -0.067 0.000 0.969 490 S CA 0.164 58.308 58.200 -0.094 0.000 0.927 490 S CB -0.209 63.076 63.200 0.142 0.000 0.772 490 S HN 0.723 nan 8.310 nan 0.000 0.533 491 R N 0.905 121.349 120.500 -0.093 0.000 2.276 491 R HA 0.393 4.733 4.340 0.000 0.000 0.196 491 R C 0.009 176.257 176.300 -0.086 0.000 0.961 491 R CA 0.364 56.435 56.100 -0.048 0.000 1.024 491 R CB -0.356 29.929 30.300 -0.025 0.000 0.940 491 R HN 0.438 nan 8.270 nan 0.000 0.480 492 L N 0.396 121.523 121.223 -0.160 0.000 2.319 492 L HA 0.481 4.821 4.340 0.000 0.000 0.267 492 L C 0.213 176.991 176.870 -0.154 0.000 1.011 492 L CA -1.102 53.644 54.840 -0.157 0.000 0.818 492 L CB 1.984 43.935 42.059 -0.179 0.000 1.316 492 L HN 0.050 nan 8.230 nan 0.000 0.432 493 T N -2.899 111.589 114.554 -0.110 0.000 2.828 493 T HA 0.090 4.440 4.350 0.000 0.000 0.290 493 T C 1.268 175.937 174.700 -0.051 0.000 1.019 493 T CA -0.081 61.980 62.100 -0.065 0.000 1.031 493 T CB 1.205 70.039 68.868 -0.056 0.000 1.001 493 T HN 0.737 nan 8.240 nan 0.000 0.531 494 S N -0.131 115.572 115.700 0.006 0.000 2.440 494 S HA -0.159 4.311 4.470 0.000 0.000 0.238 494 S C 1.188 175.783 174.600 -0.008 0.000 1.010 494 S CA 1.225 59.449 58.200 0.040 0.000 0.972 494 S CB -0.651 62.583 63.200 0.056 0.000 0.774 494 S HN 0.748 nan 8.310 nan 0.000 0.501 495 D N 1.220 121.593 120.400 -0.044 0.000 2.355 495 D HA 0.110 4.750 4.640 0.000 0.000 0.218 495 D C 1.631 177.858 176.300 -0.121 0.000 1.004 495 D CA 0.573 54.528 54.000 -0.075 0.000 0.880 495 D CB 0.007 40.758 40.800 -0.080 0.000 0.911 495 D HN 0.650 nan 8.370 nan 0.000 0.528 496 Q N -0.561 119.161 119.800 -0.130 0.000 2.217 496 Q HA 0.115 4.455 4.340 0.000 0.000 0.217 496 Q C 1.306 177.217 176.000 -0.147 0.000 0.844 496 Q CA -0.154 55.538 55.803 -0.186 0.000 0.957 496 Q CB 0.761 29.373 28.738 -0.210 0.000 1.127 496 Q HN 0.069 nan 8.270 nan 0.000 0.503 497 Q N 0.511 120.254 119.800 -0.094 0.000 2.226 497 Q HA -0.072 4.268 4.340 0.000 0.000 0.204 497 Q C 1.664 177.652 176.000 -0.019 0.000 0.975 497 Q CA 1.031 56.801 55.803 -0.055 0.000 0.866 497 Q CB 0.092 28.850 28.738 0.033 0.000 0.915 497 Q HN 0.464 nan 8.270 nan 0.000 0.440 498 L N 0.327 121.524 121.223 -0.043 0.000 2.599 498 L HA -0.029 4.311 4.340 0.000 0.000 0.230 498 L C 1.517 178.387 176.870 0.000 0.000 1.141 498 L CA 0.341 55.168 54.840 -0.022 0.000 0.877 498 L CB -0.115 41.900 42.059 -0.075 0.000 1.009 498 L HN 0.145 nan 8.230 nan 0.000 0.447 499 E N 0.032 120.214 120.200 -0.029 0.000 2.478 499 E HA -0.068 4.282 4.350 0.000 0.000 0.194 499 E C 2.079 178.824 176.600 0.240 0.000 1.045 499 E CA -0.027 56.430 56.400 0.095 0.000 0.868 499 E CB 0.294 29.852 29.700 -0.237 0.000 0.885 499 E HN 0.367 nan 8.360 nan 0.000 0.505 500 L N 1.460 122.770 121.223 0.146 0.000 2.027 500 L HA -0.067 4.273 4.340 0.000 0.000 0.206 500 L C -0.738 176.273 176.870 0.236 0.000 1.074 500 L CA 1.944 56.873 54.840 0.149 0.000 0.745 500 L CB -1.198 40.905 42.059 0.073 0.000 0.898 500 L HN 0.061 nan 8.230 nan 0.000 0.433 501 P HA -0.163 nan 4.420 nan 0.000 0.216 501 P C 1.612 179.154 177.300 0.403 0.000 1.153 501 P CA 1.312 64.567 63.100 0.258 0.000 0.848 501 P CB -0.224 31.617 31.700 0.235 0.000 0.787 502 H N -0.017 119.304 119.070 0.418 0.000 2.321 502 H HA -0.059 4.497 4.556 0.000 0.000 0.300 502 H C 2.095 177.661 175.328 0.396 0.000 1.087 502 H CA 1.325 57.663 56.048 0.483 0.000 1.319 502 H CB 0.182 30.312 29.762 0.614 0.000 1.379 502 H HN -0.066 nan 8.280 nan 0.000 0.501 503 R N -0.497 120.237 120.500 0.390 0.000 2.091 503 R HA -0.201 4.139 4.340 0.000 0.000 0.238 503 R C 2.351 178.728 176.300 0.128 0.000 1.136 503 R CA 1.678 57.915 56.100 0.228 0.000 0.959 503 R CB -0.563 29.879 30.300 0.238 0.000 0.856 503 R HN 0.401 nan 8.270 nan 0.000 0.437 504 Y N 1.166 121.496 120.300 0.051 0.000 2.165 504 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 504 Y C 2.050 177.897 175.900 -0.090 0.000 1.155 504 Y CA 1.375 59.471 58.100 -0.006 0.000 1.164 504 Y CB -0.117 38.360 38.460 0.027 0.000 0.978 504 Y HN -0.025 nan 8.280 nan 0.000 0.513 505 I N 0.017 120.655 120.570 0.114 0.000 2.286 505 I HA -0.263 3.907 4.170 0.000 0.000 0.245 505 I C 2.287 178.102 176.117 -0.504 0.000 1.104 505 I CA 1.202 62.347 61.300 -0.259 0.000 1.397 505 I CB -0.927 36.877 38.000 -0.326 0.000 1.072 505 I HN 0.361 nan 8.210 nan 0.000 0.417 506 L N 0.160 121.232 121.223 -0.252 0.000 2.189 506 L HA -0.186 4.154 4.340 0.000 0.000 0.214 506 L C 2.442 179.260 176.870 -0.087 0.000 1.097 506 L CA 1.492 56.265 54.840 -0.111 0.000 0.764 506 L CB -1.000 40.996 42.059 -0.105 0.000 0.900 506 L HN 0.294 nan 8.230 nan 0.000 0.436 507 G N -1.016 107.682 108.800 -0.169 0.000 2.411 507 G HA2 -0.095 3.865 3.960 0.000 0.000 0.213 507 G HA3 -0.095 3.865 3.960 0.000 0.000 0.213 507 G C 1.581 176.369 174.900 -0.186 0.000 1.166 507 G CA 0.411 45.409 45.100 -0.169 0.000 0.802 507 G HN 0.126 nan 8.290 nan 0.000 0.533 508 V N 0.537 120.277 119.914 -0.290 0.000 2.324 508 V HA -0.248 3.872 4.120 0.000 0.000 0.250 508 V C 2.512 178.592 176.094 -0.024 0.000 1.060 508 V CA 1.557 63.756 62.300 -0.169 0.000 1.042 508 V CB -0.689 30.976 31.823 -0.264 0.000 0.650 508 V HN 0.393 nan 8.190 nan 0.000 0.450 509 Y N 0.033 120.273 120.300 -0.100 0.000 2.224 509 Y HA -0.160 4.390 4.550 0.000 0.000 0.289 509 Y C 2.703 178.483 175.900 -0.200 0.000 1.146 509 Y CA 0.791 58.808 58.100 -0.138 0.000 1.182 509 Y CB -0.846 37.597 38.460 -0.028 0.000 0.983 509 Y HN 0.296 nan 8.280 nan 0.000 0.524 510 Q N -0.096 119.711 119.800 0.011 0.000 2.046 510 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 510 Q C 2.585 178.512 176.000 -0.121 0.000 0.975 510 Q CA 0.946 56.708 55.803 -0.068 0.000 0.836 510 Q CB -0.823 27.869 28.738 -0.077 0.000 0.896 510 Q HN 0.492 nan 8.270 nan 0.000 0.428 511 L N -0.346 120.826 121.223 -0.084 0.000 1.990 511 L HA -0.274 4.066 4.340 0.000 0.000 0.213 511 L C 2.335 179.150 176.870 -0.090 0.000 1.072 511 L CA 1.674 56.477 54.840 -0.061 0.000 0.755 511 L CB -0.427 41.638 42.059 0.009 0.000 0.889 511 L HN 0.246 nan 8.230 nan 0.000 0.432 512 Y N -0.661 119.496 120.300 -0.237 0.000 2.165 512 Y HA -0.312 4.238 4.550 0.000 0.000 0.286 512 Y C 2.552 178.092 175.900 -0.599 0.000 1.155 512 Y CA 1.525 59.281 58.100 -0.573 0.000 1.164 512 Y CB -0.296 37.537 38.460 -1.046 0.000 0.978 512 Y HN 0.306 nan 8.280 nan 0.000 0.513 513 A N -0.080 122.491 122.820 -0.415 0.000 1.930 513 A HA -0.161 4.159 4.320 0.000 0.000 0.217 513 A C 2.158 179.717 177.584 -0.042 0.000 1.175 513 A CA 1.518 53.456 52.037 -0.165 0.000 0.627 513 A CB -0.449 18.528 19.000 -0.039 0.000 0.815 513 A HN 0.393 nan 8.150 nan 0.000 0.443 514 R N -0.571 119.860 120.500 -0.115 0.000 2.057 514 R HA 0.053 4.393 4.340 0.000 0.000 0.229 514 R C 2.106 178.520 176.300 0.191 0.000 1.136 514 R CA 1.296 57.297 56.100 -0.164 0.000 0.952 514 R CB -0.508 29.397 30.300 -0.657 0.000 0.848 514 R HN 0.468 nan 8.270 nan 0.000 0.430 515 L N 0.426 121.826 121.223 0.297 0.000 2.013 515 L HA -0.235 4.105 4.340 0.000 0.000 0.212 515 L C 2.669 179.811 176.870 0.453 0.000 1.073 515 L CA 2.058 57.173 54.840 0.459 0.000 0.753 515 L CB -0.970 41.205 42.059 0.193 0.000 0.890 515 L HN 0.455 nan 8.230 nan 0.000 0.432 516 T N -3.859 110.863 114.554 0.280 0.000 2.904 516 T HA -0.181 4.169 4.350 0.000 0.000 0.267 516 T C 1.693 176.553 174.700 0.266 0.000 1.059 516 T CA 0.774 63.076 62.100 0.337 0.000 1.137 516 T CB -0.190 68.857 68.868 0.299 0.000 0.879 516 T HN 0.384 nan 8.240 nan 0.000 0.467 517 Q N 0.502 120.421 119.800 0.198 0.000 2.378 517 Q HA 0.304 4.644 4.340 0.000 0.000 0.205 517 Q C 2.380 178.440 176.000 0.100 0.000 0.954 517 Q CA 0.885 56.761 55.803 0.122 0.000 0.901 517 Q CB -0.084 28.699 28.738 0.075 0.000 0.981 517 Q HN 0.736 nan 8.270 nan 0.000 0.483 518 A N -0.550 122.376 122.820 0.177 0.000 2.169 518 A HA 0.057 4.377 4.320 0.000 0.000 0.210 518 A C 0.167 177.534 177.584 -0.363 0.000 1.168 518 A CA 0.272 52.297 52.037 -0.020 0.000 0.813 518 A CB 0.329 19.455 19.000 0.210 0.000 0.861 518 A HN 0.315 nan 8.150 nan 0.000 0.481 519 Y N -0.817 119.575 120.300 0.152 0.000 2.558 519 Y HA 0.261 4.811 4.550 0.000 0.000 0.316 519 Y C -1.928 174.070 175.900 0.163 0.000 0.967 519 Y CA -1.699 56.480 58.100 0.132 0.000 1.126 519 Y CB 0.836 39.370 38.460 0.124 0.000 1.155 519 Y HN 0.159 nan 8.280 nan 0.000 0.628 520 P HA -0.150 nan 4.420 nan 0.000 0.224 520 P C 0.299 177.699 177.300 0.167 0.000 1.142 520 P CA 1.427 64.623 63.100 0.161 0.000 0.778 520 P CB 0.384 32.110 31.700 0.043 0.000 0.764 521 N N -0.830 117.989 118.700 0.198 0.000 2.235 521 N HA 0.069 4.809 4.740 0.000 0.000 0.209 521 N C -0.106 175.621 175.510 0.363 0.000 1.122 521 N CA 0.024 53.201 53.050 0.213 0.000 0.845 521 N CB 0.547 39.112 38.487 0.129 0.000 1.004 521 N HN 0.048 nan 8.380 nan 0.000 0.499 522 V N 1.724 121.851 119.914 0.355 0.000 2.465 522 V HA 0.215 4.335 4.120 0.000 0.000 0.279 522 V C 0.220 176.387 176.094 0.122 0.000 1.045 522 V CA -0.913 61.482 62.300 0.158 0.000 0.938 522 V CB 1.760 33.528 31.823 -0.091 0.000 0.986 522 V HN 0.030 nan 8.190 nan 0.000 0.467 523 L N 6.260 127.407 121.223 -0.126 0.000 2.312 523 L HA 0.450 4.790 4.340 0.000 0.000 0.287 523 L C -0.542 176.032 176.870 -0.492 0.000 1.091 523 L CA 0.358 54.906 54.840 -0.486 0.000 0.846 523 L CB -0.343 41.509 42.059 -0.345 0.000 1.219 523 L HN 0.446 nan 8.230 nan 0.000 0.439 524 F N 3.633 123.419 119.950 -0.273 0.000 2.420 524 F HA 0.295 4.822 4.527 0.000 0.000 0.352 524 F C 0.749 176.407 175.800 -0.237 0.000 1.108 524 F CA -0.154 57.720 58.000 -0.211 0.000 1.162 524 F CB 0.858 39.912 39.000 0.089 0.000 1.118 524 F HN 0.464 nan 8.300 nan 0.000 0.510 525 E N 2.830 122.933 120.200 -0.162 0.000 2.133 525 E HA 0.312 4.662 4.350 0.000 0.000 0.274 525 E C -0.776 175.888 176.600 0.107 0.000 0.930 525 E CA -0.722 55.668 56.400 -0.017 0.000 0.770 525 E CB 0.983 30.698 29.700 0.025 0.000 1.104 525 E HN 0.618 nan 8.360 nan 0.000 0.403 526 S N 2.991 118.735 115.700 0.073 0.000 2.584 526 S HA 0.390 4.860 4.470 0.000 0.000 0.273 526 S C -0.323 174.359 174.600 0.137 0.000 1.311 526 S CA -0.850 57.382 58.200 0.054 0.000 1.034 526 S CB 1.299 64.419 63.200 -0.134 0.000 0.939 526 S HN 0.542 nan 8.310 nan 0.000 0.513 527 C N 2.389 121.807 119.300 0.197 0.000 2.642 527 C HA 0.771 5.231 4.460 0.000 0.000 0.344 527 C C -0.326 174.831 174.990 0.278 0.000 1.110 527 C CA -0.041 59.161 59.018 0.306 0.000 1.298 527 C CB 0.362 28.339 27.740 0.396 0.000 1.827 527 C HN 1.205 nan 8.230 nan 0.000 0.467 528 A N 4.561 127.532 122.820 0.253 0.000 3.105 528 A HA 0.623 4.943 4.320 0.000 0.000 0.336 528 A C 0.608 178.378 177.584 0.310 0.000 1.042 528 A CA 0.467 52.633 52.037 0.215 0.000 0.851 528 A CB 0.082 19.136 19.000 0.090 0.000 1.068 528 A HN 1.883 nan 8.150 nan 0.000 0.477 529 S N -0.229 115.733 115.700 0.437 0.000 3.698 529 S HA -0.060 4.410 4.470 0.000 0.000 0.338 529 S C 1.354 176.370 174.600 0.693 0.000 1.089 529 S CA 1.533 60.079 58.200 0.578 0.000 0.991 529 S CB -1.243 62.280 63.200 0.539 0.000 0.909 529 S HN 2.849 nan 8.310 nan 0.000 0.485 530 G N 0.242 109.362 108.800 0.534 0.000 2.709 530 G HA2 0.021 3.981 3.960 0.000 0.000 0.228 530 G HA3 0.021 3.981 3.960 0.000 0.000 0.228 530 G C 0.400 175.419 174.900 0.197 0.000 1.215 530 G CA 0.118 45.367 45.100 0.249 0.000 1.003 530 G HN 1.533 nan 8.290 nan 0.000 0.584 531 G N 1.291 110.155 108.800 0.106 0.000 3.424 531 G HA2 0.508 4.468 3.960 0.000 0.000 0.263 531 G HA3 0.508 4.468 3.960 0.000 0.000 0.263 531 G C 1.264 176.112 174.900 -0.086 0.000 1.310 531 G CA 1.227 46.372 45.100 0.075 0.000 1.089 531 G HN 1.656 nan 8.290 nan 0.000 0.534 532 G N 0.149 108.741 108.800 -0.346 0.000 2.534 532 G HA2 -0.036 3.924 3.960 0.000 0.000 0.217 532 G HA3 -0.036 3.924 3.960 0.000 0.000 0.217 532 G C 1.060 175.892 174.900 -0.114 0.000 1.128 532 G CA -0.188 44.507 45.100 -0.675 0.000 0.784 532 G HN 0.410 nan 8.290 nan 0.000 0.542 533 R N -0.682 119.805 120.500 -0.023 0.000 2.655 533 R HA 0.187 4.527 4.340 0.000 0.000 0.261 533 R C -1.394 174.887 176.300 -0.031 0.000 1.624 533 R CA -0.576 55.523 56.100 -0.002 0.000 1.655 533 R CB 0.106 30.395 30.300 -0.019 0.000 1.356 533 R HN 0.161 nan 8.270 nan 0.000 0.684 534 F N 2.693 122.546 119.950 -0.160 0.000 2.509 534 F HA 0.182 4.709 4.527 0.000 0.000 0.344 534 F C -0.173 175.384 175.800 -0.405 0.000 1.197 534 F CA -0.781 57.044 58.000 -0.290 0.000 1.294 534 F CB 0.018 38.826 39.000 -0.320 0.000 1.643 534 F HN 0.333 nan 8.300 nan 0.000 0.596 535 D N 0.325 120.525 120.400 -0.332 0.000 2.533 535 D HA 0.279 4.919 4.640 0.000 0.000 0.247 535 D C 0.763 176.927 176.300 -0.227 0.000 1.056 535 D CA -0.724 53.167 54.000 -0.181 0.000 1.054 535 D CB 0.941 41.706 40.800 -0.059 0.000 1.400 535 D HN 0.158 nan 8.370 nan 0.000 0.533 536 L N 0.041 121.218 121.223 -0.077 0.000 2.201 536 L HA 0.149 4.489 4.340 0.000 0.000 0.212 536 L C 1.686 178.451 176.870 -0.175 0.000 1.105 536 L CA 0.900 55.643 54.840 -0.162 0.000 0.775 536 L CB -0.788 41.167 42.059 -0.174 0.000 0.913 536 L HN 0.599 nan 8.230 nan 0.000 0.440 541 Y N 0.458 120.668 120.300 -0.149 0.000 2.569 541 Y HA 0.700 5.250 4.550 0.000 0.000 0.278 541 Y C 1.139 176.977 175.900 -0.104 0.000 1.130 541 Y CA 0.286 58.280 58.100 -0.176 0.000 1.280 541 Y CB -0.101 38.148 38.460 -0.352 0.000 1.379 541 Y HN 0.035 nan 8.280 nan 0.000 0.508 542 A N 2.678 125.471 122.820 -0.045 0.000 2.253 542 A HA 0.386 4.706 4.320 0.000 0.000 0.316 542 A C -1.839 175.708 177.584 -0.061 0.000 1.327 542 A CA -1.357 50.692 52.037 0.020 0.000 0.917 542 A CB 0.052 19.062 19.000 0.017 0.000 1.162 542 A HN 0.157 nan 8.150 nan 0.000 0.535 543 P HA -0.087 nan 4.420 nan 0.000 0.233 543 P C 0.160 177.432 177.300 -0.046 0.000 1.167 543 P CA 0.970 64.060 63.100 -0.016 0.000 0.770 543 P CB 0.269 32.015 31.700 0.077 0.000 0.837 544 Q N -0.576 119.193 119.800 -0.051 0.000 2.587 544 Q HA 0.765 5.105 4.340 0.000 0.000 0.293 544 Q C -1.667 174.297 176.000 -0.061 0.000 1.083 544 Q CA -1.292 54.485 55.803 -0.042 0.000 0.792 544 Q CB 2.352 31.119 28.738 0.049 0.000 1.484 544 Q HN -0.118 nan 8.270 nan 0.000 0.446 545 A N 0.401 123.212 122.820 -0.016 0.000 2.549 545 A HA 0.409 4.729 4.320 0.000 0.000 0.297 545 A C -1.927 175.841 177.584 0.307 0.000 1.061 545 A CA -0.732 51.340 52.037 0.059 0.000 0.690 545 A CB 1.134 20.002 19.000 -0.222 0.000 1.287 545 A HN 0.799 nan 8.150 nan 0.000 0.402 546 W N 3.463 124.814 121.300 0.085 0.000 2.591 546 W HA 0.089 4.749 4.660 0.000 0.000 0.330 546 W C 0.259 176.844 176.519 0.109 0.000 1.435 546 W CA 0.586 57.968 57.345 0.062 0.000 1.350 546 W CB 0.834 30.352 29.460 0.097 0.000 1.434 546 W HN 0.847 nan 8.180 nan 0.000 0.553 547 T N 3.120 117.536 114.554 -0.230 0.000 2.737 547 T HA -0.143 4.207 4.350 0.000 0.000 0.265 547 T C 0.540 174.964 174.700 -0.460 0.000 1.038 547 T CA 1.242 63.158 62.100 -0.306 0.000 1.144 547 T CB -0.010 68.644 68.868 -0.358 0.000 0.866 547 T HN 0.349 nan 8.240 nan 0.000 0.434 548 S N -0.889 114.313 115.700 -0.830 0.000 2.537 548 S HA 0.298 4.768 4.470 0.000 0.000 0.271 548 S C -0.835 173.275 174.600 -0.817 0.000 1.148 548 S CA -0.716 57.105 58.200 -0.633 0.000 0.868 548 S CB 1.647 64.575 63.200 -0.453 0.000 1.115 548 S HN 0.007 nan 8.310 nan 0.000 0.461 549 D N 1.391 121.526 120.400 -0.440 0.000 2.348 549 D HA 0.067 4.707 4.640 0.000 0.000 0.216 549 D C 0.068 176.254 176.300 -0.190 0.000 0.970 549 D CA 0.734 54.678 54.000 -0.094 0.000 0.889 549 D CB 0.065 41.025 40.800 0.267 0.000 0.912 549 D HN 0.522 nan 8.370 nan 0.000 0.524 550 D N -0.173 119.976 120.400 -0.419 0.000 2.348 550 D HA 0.035 4.675 4.640 0.000 0.000 0.253 550 D C 0.557 176.709 176.300 -0.247 0.000 1.161 550 D CA 0.340 54.148 54.000 -0.319 0.000 0.876 550 D CB 0.899 41.482 40.800 -0.361 0.000 1.160 550 D HN 0.003 nan 8.370 nan 0.000 0.459 551 T N -0.051 114.427 114.554 -0.127 0.000 3.231 551 T HA 0.136 4.486 4.350 0.000 0.000 0.292 551 T C 0.274 174.920 174.700 -0.089 0.000 1.001 551 T CA -0.714 61.337 62.100 -0.081 0.000 0.920 551 T CB -0.057 68.856 68.868 0.075 0.000 1.140 551 T HN 0.293 nan 8.240 nan 0.000 0.525 552 D N 1.167 121.493 120.400 -0.123 0.000 2.390 552 D HA 0.550 5.190 4.640 0.000 0.000 0.249 552 D C 1.600 177.791 176.300 -0.183 0.000 1.144 552 D CA 0.177 54.087 54.000 -0.149 0.000 0.880 552 D CB 1.053 41.752 40.800 -0.168 0.000 1.182 552 D HN 0.149 nan 8.370 nan 0.000 0.451 553 A N 4.059 126.764 122.820 -0.191 0.000 1.927 553 A HA -0.178 4.142 4.320 0.000 0.000 0.220 553 A C 2.133 179.578 177.584 -0.231 0.000 1.185 553 A CA 2.187 54.111 52.037 -0.188 0.000 0.639 553 A CB -1.103 17.809 19.000 -0.148 0.000 0.820 553 A HN 0.725 nan 8.150 nan 0.000 0.451 554 A N -0.498 122.138 122.820 -0.307 0.000 1.832 554 A HA -0.117 4.203 4.320 0.000 0.000 0.214 554 A C 1.882 179.331 177.584 -0.224 0.000 1.200 554 A CA 1.543 53.402 52.037 -0.297 0.000 0.610 554 A CB -0.550 18.179 19.000 -0.451 0.000 0.842 554 A HN 0.456 nan 8.150 nan 0.000 0.444 555 E N -0.117 119.964 120.200 -0.198 0.000 2.209 555 E HA -0.171 4.179 4.350 0.000 0.000 0.196 555 E C 2.024 178.548 176.600 -0.127 0.000 0.993 555 E CA 0.704 57.024 56.400 -0.133 0.000 0.819 555 E CB -0.315 29.317 29.700 -0.113 0.000 0.745 555 E HN 0.383 nan 8.360 nan 0.000 0.477 556 R N 0.172 120.578 120.500 -0.156 0.000 2.119 556 R HA 0.008 4.348 4.340 0.000 0.000 0.222 556 R C 2.267 178.510 176.300 -0.095 0.000 1.088 556 R CA 0.114 56.131 56.100 -0.138 0.000 0.984 556 R CB -0.609 29.597 30.300 -0.156 0.000 0.884 556 R HN 0.148 nan 8.270 nan 0.000 0.447 557 L N 0.740 121.870 121.223 -0.156 0.000 2.042 557 L HA -0.158 4.182 4.340 0.000 0.000 0.210 557 L C 2.033 178.858 176.870 -0.075 0.000 1.076 557 L CA 1.499 56.232 54.840 -0.179 0.000 0.749 557 L CB -0.745 41.098 42.059 -0.361 0.000 0.893 557 L HN 0.057 nan 8.230 nan 0.000 0.432 558 L N -1.337 119.791 121.223 -0.157 0.000 2.044 558 L HA -0.127 4.213 4.340 0.000 0.000 0.205 558 L C 2.342 179.280 176.870 0.113 0.000 1.075 558 L CA 1.568 56.297 54.840 -0.185 0.000 0.747 558 L CB -0.585 41.195 42.059 -0.466 0.000 0.903 558 L HN 0.135 nan 8.230 nan 0.000 0.435 559 I N -1.194 119.414 120.570 0.063 0.000 2.226 559 I HA -0.317 3.853 4.170 0.000 0.000 0.245 559 I C 2.482 178.647 176.117 0.080 0.000 1.100 559 I CA 1.170 62.530 61.300 0.100 0.000 1.374 559 I CB -0.283 37.708 38.000 -0.014 0.000 1.057 559 I HN 0.340 nan 8.210 nan 0.000 0.413 560 Q N -0.370 119.472 119.800 0.070 0.000 2.079 560 Q HA -0.200 4.140 4.340 0.000 0.000 0.200 560 Q C 2.207 178.324 176.000 0.195 0.000 0.974 560 Q CA 1.611 57.447 55.803 0.056 0.000 0.840 560 Q CB -0.203 28.577 28.738 0.070 0.000 0.898 560 Q HN 0.431 nan 8.270 nan 0.000 0.430 561 F N 0.612 120.726 119.950 0.273 0.000 2.134 561 F HA -0.104 4.423 4.527 0.000 0.000 0.299 561 F C 2.038 178.095 175.800 0.428 0.000 1.097 561 F CA 1.702 59.956 58.000 0.423 0.000 1.264 561 F CB -0.415 38.831 39.000 0.411 0.000 1.001 561 F HN 0.039 nan 8.300 nan 0.000 0.479 562 G N -1.464 107.752 108.800 0.694 0.000 2.403 562 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 562 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 562 G C 1.613 176.612 174.900 0.165 0.000 1.154 562 G CA 1.183 46.639 45.100 0.593 0.000 0.784 562 G HN 0.363 nan 8.290 nan 0.000 0.538 563 T N 1.539 116.100 114.554 0.012 0.000 2.821 563 T HA -0.149 4.201 4.350 0.000 0.000 0.267 563 T C 2.834 177.441 174.700 -0.153 0.000 1.046 563 T CA 1.728 63.727 62.100 -0.169 0.000 1.139 563 T CB -0.367 68.275 68.868 -0.375 0.000 0.871 563 T HN 0.527 nan 8.240 nan 0.000 0.454 564 S N 0.974 116.559 115.700 -0.192 0.000 2.402 564 S HA -0.235 4.235 4.470 0.000 0.000 0.233 564 S C 1.782 176.185 174.600 -0.329 0.000 1.030 564 S CA 1.130 59.127 58.200 -0.338 0.000 1.003 564 S CB -0.999 61.949 63.200 -0.421 0.000 0.813 564 S HN 0.593 nan 8.310 nan 0.000 0.477 565 Y N 1.966 122.099 120.300 -0.278 0.000 2.165 565 Y HA 0.060 4.610 4.550 0.000 0.000 0.286 565 Y C 2.884 178.315 175.900 -0.782 0.000 1.155 565 Y CA 1.356 59.297 58.100 -0.265 0.000 1.164 565 Y CB -0.724 37.767 38.460 0.052 0.000 0.978 565 Y HN 0.495 nan 8.280 nan 0.000 0.513 566 G N -2.920 105.224 108.800 -1.094 0.000 2.796 566 G HA2 0.087 4.047 3.960 0.000 0.000 0.210 566 G HA3 0.087 4.047 3.960 0.000 0.000 0.210 566 G C -0.688 173.432 174.900 -1.300 0.000 1.146 566 G CA 0.123 44.034 45.100 -1.983 0.000 0.779 566 G HN 0.234 nan 8.290 nan 0.000 0.535 567 Y N -0.162 119.956 120.300 -0.302 0.000 2.441 567 Y HA 0.444 4.994 4.550 0.000 0.000 0.334 567 Y C -2.512 173.302 175.900 -0.144 0.000 1.061 567 Y CA -2.593 55.449 58.100 -0.097 0.000 1.032 567 Y CB 1.937 40.459 38.460 0.103 0.000 1.266 567 Y HN -0.139 nan 8.280 nan 0.000 0.441 568 P HA 0.044 nan 4.420 nan 0.000 0.274 568 P C 0.406 177.626 177.300 -0.132 0.000 1.237 568 P CA -0.511 62.535 63.100 -0.091 0.000 0.793 568 P CB 0.888 32.594 31.700 0.009 0.000 0.977 569 Q N 0.603 120.237 119.800 -0.276 0.000 2.439 569 Q HA -0.057 4.283 4.340 0.000 0.000 0.211 569 Q C 0.600 176.520 176.000 -0.134 0.000 0.978 569 Q CA 0.845 56.494 55.803 -0.257 0.000 0.897 569 Q CB -1.001 27.541 28.738 -0.326 0.000 0.956 569 Q HN 0.437 nan 8.270 nan 0.000 0.483 574 A N 1.793 124.707 122.820 0.157 0.000 2.456 574 A HA 0.835 5.155 4.320 0.000 0.000 0.288 574 A C -1.036 176.682 177.584 0.223 0.000 1.042 574 A CA -0.615 51.463 52.037 0.069 0.000 0.738 574 A CB 0.886 19.872 19.000 -0.024 0.000 1.266 574 A HN 0.861 nan 8.150 nan 0.000 0.407 575 H N 0.800 119.978 119.070 0.180 0.000 2.495 575 H HA 0.477 5.033 4.556 0.000 0.000 0.348 575 H C -0.596 174.652 175.328 -0.133 0.000 1.113 575 H CA -1.171 54.892 56.048 0.026 0.000 1.195 575 H CB 2.228 32.092 29.762 0.170 0.000 1.521 575 H HN 0.406 nan 8.280 nan 0.000 0.509 576 V N 3.785 123.548 119.914 -0.252 0.000 2.439 576 V HA 0.025 4.145 4.120 0.000 0.000 0.271 576 V C 0.538 176.573 176.094 -0.099 0.000 1.040 576 V CA 0.135 62.268 62.300 -0.279 0.000 1.002 576 V CB 0.262 31.736 31.823 -0.583 0.000 1.000 576 V HN 0.842 nan 8.190 nan 0.000 0.477 577 S N 5.079 120.765 115.700 -0.025 0.000 2.776 577 S HA 0.927 5.397 4.470 0.000 0.000 0.306 577 S C -0.122 174.488 174.600 0.018 0.000 1.114 577 S CA -0.248 57.963 58.200 0.019 0.000 0.973 577 S CB 1.986 65.217 63.200 0.051 0.000 1.250 577 S HN 1.024 nan 8.310 nan 0.000 0.549 578 A N -0.252 122.585 122.820 0.028 0.000 2.294 578 A HA 0.812 5.132 4.320 0.000 0.000 0.330 578 A C -0.760 176.846 177.584 0.037 0.000 1.133 578 A CA -0.823 51.234 52.037 0.034 0.000 0.836 578 A CB 1.091 20.113 19.000 0.037 0.000 1.190 578 A HN 0.994 nan 8.150 nan 0.000 0.492 579 V N 2.166 122.104 119.914 0.038 0.000 2.789 579 V HA 0.502 4.622 4.120 0.000 0.000 0.311 579 V C -2.215 173.907 176.094 0.046 0.000 1.073 579 V CA -1.492 60.830 62.300 0.036 0.000 0.921 579 V CB 1.938 33.779 31.823 0.030 0.000 1.009 579 V HN 0.972 nan 8.190 nan 0.000 0.426 580 P HA 0.061 nan 4.420 nan 0.000 0.265 580 P C -0.295 177.031 177.300 0.044 0.000 1.187 580 P CA 0.097 63.224 63.100 0.044 0.000 0.766 580 P CB 0.223 31.953 31.700 0.050 0.000 0.820 581 N N 2.131 120.846 118.700 0.025 0.000 2.492 581 N HA -0.074 4.667 4.740 0.000 0.000 0.262 581 N C 0.457 176.002 175.510 0.059 0.000 1.202 581 N CA 0.184 53.250 53.050 0.027 0.000 0.926 581 N CB 0.481 38.957 38.487 -0.018 0.000 1.078 581 N HN 0.326 nan 8.380 nan 0.000 0.454 582 D N 1.611 122.067 120.400 0.095 0.000 2.347 582 D HA -0.051 4.589 4.640 0.000 0.000 0.215 582 D C 0.043 176.425 176.300 0.137 0.000 0.976 582 D CA 0.891 54.974 54.000 0.138 0.000 0.884 582 D CB 0.662 41.593 40.800 0.220 0.000 0.915 582 D HN 0.586 nan 8.370 nan 0.000 0.526 586 R N 0.789 121.280 120.500 -0.014 0.000 2.594 586 R HA 0.570 4.910 4.340 0.000 0.000 0.272 586 R C -0.268 176.028 176.300 -0.008 0.000 1.074 586 R CA -0.141 55.936 56.100 -0.037 0.000 1.105 586 R CB 0.362 30.544 30.300 -0.196 0.000 1.008 586 R HN 0.107 nan 8.270 nan 0.000 0.472 587 I N 3.301 123.913 120.570 0.071 0.000 2.354 587 I HA 0.259 4.429 4.170 0.000 0.000 0.292 587 I C -0.358 175.849 176.117 0.150 0.000 0.989 587 I CA -0.504 60.854 61.300 0.096 0.000 1.188 587 I CB 2.044 40.113 38.000 0.114 0.000 1.342 587 I HN 0.631 nan 8.210 nan 0.000 0.457 588 T N 3.714 118.318 114.554 0.083 0.000 2.893 588 T HA 0.282 4.632 4.350 0.000 0.000 0.293 588 T C -0.042 174.707 174.700 0.081 0.000 1.027 588 T CA -0.597 61.563 62.100 0.099 0.000 0.988 588 T CB 1.850 70.701 68.868 -0.027 0.000 1.043 588 T HN 0.735 nan 8.240 nan 0.000 0.461 589 S N 2.140 117.896 115.700 0.093 0.000 2.584 589 S HA 0.201 4.671 4.470 0.000 0.000 0.270 589 S C 1.327 175.943 174.600 0.027 0.000 1.346 589 S CA -0.613 57.619 58.200 0.054 0.000 1.018 589 S CB 0.361 63.585 63.200 0.040 0.000 0.899 589 S HN 0.521 nan 8.310 nan 0.000 0.542 590 L N 1.823 123.062 121.223 0.026 0.000 2.056 590 L HA 0.046 4.386 4.340 0.000 0.000 0.207 590 L C 2.585 179.459 176.870 0.008 0.000 1.078 590 L CA 1.940 56.796 54.840 0.027 0.000 0.749 590 L CB -1.101 40.989 42.059 0.052 0.000 0.901 590 L HN 1.001 nan 8.230 nan 0.000 0.433 591 K N -1.350 119.051 120.400 0.002 0.000 2.077 591 K HA -0.245 4.075 4.320 0.000 0.000 0.213 591 K C 1.801 178.377 176.600 -0.039 0.000 1.051 591 K CA 2.326 58.603 56.287 -0.017 0.000 0.929 591 K CB -0.227 32.233 32.500 -0.066 0.000 0.715 591 K HN 0.411 nan 8.250 nan 0.000 0.451 592 T N 0.333 114.867 114.554 -0.034 0.000 2.770 592 T HA -0.025 4.325 4.350 0.000 0.000 0.263 592 T C 1.801 176.483 174.700 -0.029 0.000 1.039 592 T CA 1.001 63.105 62.100 0.007 0.000 1.142 592 T CB -0.147 68.749 68.868 0.047 0.000 0.868 592 T HN 0.305 nan 8.240 nan 0.000 0.435 593 R N 0.543 121.001 120.500 -0.070 0.000 2.103 593 R HA -0.099 4.241 4.340 0.000 0.000 0.242 593 R C 2.777 178.928 176.300 -0.248 0.000 1.142 593 R CA 1.523 57.545 56.100 -0.129 0.000 0.960 593 R CB -0.717 29.518 30.300 -0.109 0.000 0.858 593 R HN 0.450 nan 8.270 nan 0.000 0.439 594 G N 0.305 108.913 108.800 -0.319 0.000 2.404 594 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 594 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 594 G C 1.503 175.655 174.900 -1.248 0.000 1.174 594 G CA 0.637 45.308 45.100 -0.715 0.000 0.780 594 G HN 0.413 nan 8.290 nan 0.000 0.537 595 A N 0.033 122.518 122.820 -0.558 0.000 2.015 595 A HA 0.168 4.488 4.320 0.000 0.000 0.219 595 A C 2.519 180.338 177.584 0.391 0.000 1.163 595 A CA 1.590 53.594 52.037 -0.055 0.000 0.646 595 A CB -0.328 18.813 19.000 0.236 0.000 0.806 595 A HN 0.244 nan 8.150 nan 0.000 0.448 596 V N -0.494 119.535 119.914 0.192 0.000 2.379 596 V HA -0.146 3.974 4.120 0.000 0.000 0.245 596 V C 2.932 179.113 176.094 0.145 0.000 1.044 596 V CA 1.717 64.139 62.300 0.204 0.000 1.036 596 V CB -0.959 30.826 31.823 -0.062 0.000 0.664 596 V HN 0.566 nan 8.190 nan 0.000 0.453 597 A N -0.556 122.174 122.820 -0.150 0.000 2.066 597 A HA -0.064 4.256 4.320 0.000 0.000 0.218 597 A C 1.878 179.336 177.584 -0.210 0.000 1.157 597 A CA 0.983 52.897 52.037 -0.205 0.000 0.670 597 A CB -0.587 18.221 19.000 -0.320 0.000 0.804 597 A HN 0.457 nan 8.150 nan 0.000 0.453 598 F N -0.901 118.911 119.950 -0.230 0.000 2.333 598 F HA 0.009 4.536 4.527 0.000 0.000 0.300 598 F C 0.443 175.824 175.800 -0.698 0.000 1.083 598 F CA 0.012 57.581 58.000 -0.719 0.000 1.395 598 F CB -0.852 37.425 39.000 -1.204 0.000 1.056 598 F HN 0.183 nan 8.300 nan 0.000 0.529 599 F N 0.652 120.546 119.950 -0.093 0.000 2.606 599 F HA 0.529 5.056 4.527 0.000 0.000 0.347 599 F C 0.903 176.599 175.800 -0.173 0.000 1.207 599 F CA -0.006 57.909 58.000 -0.142 0.000 1.306 599 F CB -0.220 38.504 39.000 -0.461 0.000 1.657 599 F HN 0.038 nan 8.300 nan 0.000 0.606 600 G N 0.343 109.143 108.800 0.000 0.000 2.332 600 G HA2 -0.003 3.957 3.960 0.000 0.000 0.265 600 G HA3 -0.003 3.957 3.960 0.000 0.000 0.265 600 G C -1.900 173.036 174.900 0.061 0.000 1.329 600 G CA -1.045 44.048 45.100 -0.011 0.000 0.949 600 G HN -0.029 nan 8.290 nan 0.000 0.476 601 D N 1.390 121.832 120.400 0.069 0.000 2.456 601 D HA 0.431 5.071 4.640 0.000 0.000 0.219 601 D C 0.444 176.791 176.300 0.079 0.000 1.126 601 D CA -0.274 53.803 54.000 0.128 0.000 0.890 601 D CB 1.438 42.317 40.800 0.131 0.000 1.025 601 D HN 0.425 nan 8.370 nan 0.000 0.511 602 L N 2.143 123.303 121.223 -0.103 0.000 2.559 602 L HA 0.330 4.670 4.340 0.000 0.000 0.282 602 L C 0.535 177.366 176.870 -0.065 0.000 1.232 602 L CA 0.807 55.457 54.840 -0.315 0.000 0.885 602 L CB 0.252 41.721 42.059 -0.983 0.000 1.131 602 L HN 0.409 nan 8.230 nan 0.000 0.498 603 G N 3.424 112.179 108.800 -0.074 0.000 2.704 603 G HA2 0.490 4.450 3.960 0.000 0.000 0.293 603 G HA3 0.490 4.450 3.960 0.000 0.000 0.293 603 G C -2.076 172.572 174.900 -0.420 0.000 1.421 603 G CA -0.507 44.486 45.100 -0.179 0.000 0.870 603 G HN 0.469 nan 8.290 nan 0.000 0.492 604 Y N -0.653 119.406 120.300 -0.402 0.000 2.468 604 Y HA 0.641 5.191 4.550 0.000 0.000 0.342 604 Y C 0.750 176.432 175.900 -0.363 0.000 1.021 604 Y CA -0.561 57.375 58.100 -0.273 0.000 1.079 604 Y CB 3.126 41.488 38.460 -0.164 0.000 1.226 604 Y HN 0.605 nan 8.280 nan 0.000 0.460 605 E N 2.592 122.735 120.200 -0.096 0.000 3.083 605 E HA 0.205 4.556 4.350 0.000 0.000 0.168 605 E C -1.522 175.028 176.600 -0.083 0.000 0.934 605 E CA 0.026 56.342 56.400 -0.141 0.000 1.361 605 E CB 0.492 30.151 29.700 -0.068 0.000 1.032 605 E HN 0.602 nan 8.360 nan 0.000 0.447 606 L N -1.884 119.322 121.223 -0.029 0.000 2.304 606 L HA 0.748 5.088 4.340 0.000 0.000 0.268 606 L C -0.205 176.647 176.870 -0.030 0.000 1.010 606 L CA -1.076 53.751 54.840 -0.022 0.000 0.813 606 L CB 1.310 43.386 42.059 0.028 0.000 1.315 606 L HN -0.209 nan 8.230 nan 0.000 0.445 607 D N 1.166 121.551 120.400 -0.024 0.000 2.374 607 D HA 0.206 4.846 4.640 0.000 0.000 0.240 607 D C 1.157 177.462 176.300 0.009 0.000 1.229 607 D CA -0.243 53.750 54.000 -0.011 0.000 0.895 607 D CB 0.683 41.483 40.800 -0.001 0.000 1.046 607 D HN 0.619 nan 8.370 nan 0.000 0.498 608 I N 1.023 121.597 120.570 0.007 0.000 2.676 608 I HA -0.084 4.086 4.170 0.000 0.000 0.259 608 I C 1.632 177.756 176.117 0.012 0.000 1.194 608 I CA 0.786 62.090 61.300 0.005 0.000 1.473 608 I CB -0.683 37.307 38.000 -0.018 0.000 1.096 608 I HN 0.274 nan 8.210 nan 0.000 0.443 609 T N -1.359 113.207 114.554 0.019 0.000 3.113 609 T HA 0.089 4.439 4.350 0.000 0.000 0.263 609 T C 0.853 175.568 174.700 0.024 0.000 1.143 609 T CA 0.348 62.462 62.100 0.023 0.000 1.090 609 T CB -0.253 68.633 68.868 0.030 0.000 0.922 609 T HN 0.420 nan 8.240 nan 0.000 0.521 613 P HA -0.240 nan 4.420 nan 0.000 0.214 613 P C 1.655 178.965 177.300 0.017 0.000 1.164 613 P CA 3.458 66.567 63.100 0.015 0.000 0.942 613 P CB -0.274 31.434 31.700 0.015 0.000 0.791 614 T N -0.816 113.750 114.554 0.020 0.000 2.699 614 T HA -0.226 4.124 4.350 0.000 0.000 0.268 614 T C 1.576 176.291 174.700 0.027 0.000 1.036 614 T CA 1.718 63.831 62.100 0.023 0.000 1.147 614 T CB -1.078 67.804 68.868 0.024 0.000 0.862 614 T HN 0.366 nan 8.240 nan 0.000 0.446 615 E N 1.192 121.409 120.200 0.027 0.000 2.017 615 E HA -0.073 4.277 4.350 0.000 0.000 0.193 615 E C 2.279 178.895 176.600 0.028 0.000 0.997 615 E CA 0.828 57.247 56.400 0.033 0.000 0.804 615 E CB -0.353 29.366 29.700 0.033 0.000 0.757 615 E HN 0.185 nan 8.360 nan 0.000 0.448 616 L N 1.764 122.997 121.223 0.016 0.000 2.051 616 L HA -0.244 4.096 4.340 0.000 0.000 0.214 616 L C 2.210 179.083 176.870 0.004 0.000 1.076 616 L CA 1.854 56.694 54.840 0.002 0.000 0.758 616 L CB -1.215 40.843 42.059 -0.002 0.000 0.890 616 L HN 0.193 nan 8.230 nan 0.000 0.433 617 D N -0.840 119.569 120.400 0.015 0.000 2.117 617 D HA -0.209 4.431 4.640 0.000 0.000 0.197 617 D C 2.257 178.579 176.300 0.036 0.000 0.987 617 D CA 0.979 54.992 54.000 0.022 0.000 0.829 617 D CB 0.079 40.893 40.800 0.023 0.000 0.961 617 D HN 0.319 nan 8.370 nan 0.000 0.460 618 Q N -0.315 119.512 119.800 0.045 0.000 2.170 618 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 618 Q C 2.154 178.213 176.000 0.098 0.000 0.976 618 Q CA 0.866 56.711 55.803 0.069 0.000 0.858 618 Q CB 0.236 29.015 28.738 0.067 0.000 0.907 618 Q HN 0.210 nan 8.270 nan 0.000 0.433 619 V N 0.840 120.794 119.914 0.067 0.000 2.270 619 V HA -0.273 3.847 4.120 0.000 0.000 0.245 619 V C 2.307 178.415 176.094 0.024 0.000 1.043 619 V CA 2.026 64.351 62.300 0.041 0.000 1.014 619 V CB -0.645 31.119 31.823 -0.100 0.000 0.645 619 V HN 0.344 nan 8.190 nan 0.000 0.447 620 K N 0.162 120.562 120.400 0.000 0.000 2.034 620 K HA -0.286 4.034 4.320 0.000 0.000 0.214 620 K C 2.328 178.973 176.600 0.075 0.000 1.051 620 K CA 1.819 58.115 56.287 0.016 0.000 0.931 620 K CB -0.130 32.377 32.500 0.011 0.000 0.715 620 K HN 0.277 nan 8.250 nan 0.000 0.446 621 K N 0.823 121.279 120.400 0.093 0.000 2.020 621 K HA -0.212 4.108 4.320 0.000 0.000 0.212 621 K C 2.227 178.958 176.600 0.217 0.000 1.050 621 K CA 1.718 58.083 56.287 0.130 0.000 0.929 621 K CB -0.564 32.000 32.500 0.107 0.000 0.714 621 K HN 0.425 nan 8.250 nan 0.000 0.443 622 Q N 0.431 120.393 119.800 0.269 0.000 2.045 622 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 622 Q C 2.223 178.476 176.000 0.423 0.000 0.991 622 Q CA 1.762 57.837 55.803 0.454 0.000 0.851 622 Q CB -0.282 28.784 28.738 0.546 0.000 0.911 622 Q HN 0.073 nan 8.270 nan 0.000 0.418 623 V N 0.709 120.806 119.914 0.304 0.000 2.407 623 V HA -0.282 3.838 4.120 0.000 0.000 0.248 623 V C 2.211 178.435 176.094 0.217 0.000 1.055 623 V CA 1.781 64.237 62.300 0.260 0.000 1.049 623 V CB -0.946 30.950 31.823 0.121 0.000 0.662 623 V HN 0.407 nan 8.190 nan 0.000 0.455 624 A N -0.374 122.552 122.820 0.176 0.000 1.898 624 A HA -0.199 4.121 4.320 0.000 0.000 0.216 624 A C 2.099 179.769 177.584 0.144 0.000 1.181 624 A CA 1.801 53.914 52.037 0.126 0.000 0.620 624 A CB -0.668 18.395 19.000 0.105 0.000 0.819 624 A HN 0.524 nan 8.150 nan 0.000 0.442 625 F N -0.653 119.338 119.950 0.069 0.000 2.134 625 F HA -0.193 4.334 4.527 0.000 0.000 0.299 625 F C 2.079 177.947 175.800 0.113 0.000 1.097 625 F CA 1.784 59.832 58.000 0.080 0.000 1.264 625 F CB -0.685 38.362 39.000 0.078 0.000 1.001 625 F HN 0.360 nan 8.300 nan 0.000 0.479 626 Y N 1.533 121.670 120.300 -0.273 0.000 2.089 626 Y HA -0.201 4.349 4.550 0.000 0.000 0.282 626 Y C 2.482 178.320 175.900 -0.104 0.000 1.139 626 Y CA 2.313 60.242 58.100 -0.285 0.000 1.123 626 Y CB -0.756 37.613 38.460 -0.151 0.000 0.980 626 Y HN 0.013 nan 8.280 nan 0.000 0.493 627 K N -0.860 119.504 120.400 -0.059 0.000 2.113 627 K HA -0.268 4.052 4.320 0.000 0.000 0.208 627 K C 2.415 178.874 176.600 -0.234 0.000 1.047 627 K CA 1.429 57.634 56.287 -0.138 0.000 0.928 627 K CB -0.840 31.651 32.500 -0.015 0.000 0.716 627 K HN 0.459 nan 8.250 nan 0.000 0.446 628 C N 0.105 119.242 119.300 -0.271 0.000 2.425 628 C HA -0.139 4.321 4.460 0.000 0.000 0.277 628 C C 1.830 176.441 174.990 -0.632 0.000 1.280 628 C CA 0.703 59.453 59.018 -0.446 0.000 1.744 628 C CB -0.637 26.794 27.740 -0.515 0.000 1.989 628 C HN 0.431 nan 8.230 nan 0.000 0.491 629 Y N -0.393 119.633 120.300 -0.456 0.000 2.557 629 Y HA 0.309 4.859 4.550 0.000 0.000 0.247 629 Y C 2.038 177.568 175.900 -0.617 0.000 1.164 629 Y CA -0.035 57.705 58.100 -0.600 0.000 1.218 629 Y CB -0.685 37.200 38.460 -0.958 0.000 1.210 629 Y HN 0.222 nan 8.280 nan 0.000 0.529 630 R N 0.800 121.053 120.500 -0.412 0.000 2.159 630 R HA -0.366 3.974 4.340 0.000 0.000 0.249 630 R C 2.002 178.173 176.300 -0.214 0.000 1.136 630 R CA 2.530 58.360 56.100 -0.449 0.000 0.951 630 R CB -0.159 29.886 30.300 -0.425 0.000 0.876 630 R HN 0.317 nan 8.270 nan 0.000 0.440 631 Q N 0.055 119.798 119.800 -0.095 0.000 2.297 631 Q HA -0.146 4.194 4.340 0.000 0.000 0.208 631 Q C 1.699 177.734 176.000 0.059 0.000 0.981 631 Q CA 1.294 57.145 55.803 0.080 0.000 0.876 631 Q CB -0.104 28.673 28.738 0.065 0.000 0.921 631 Q HN 0.387 nan 8.270 nan 0.000 0.446 632 L N -1.403 119.758 121.223 -0.103 0.000 2.130 632 L HA 0.106 4.446 4.340 0.000 0.000 0.200 632 L C 1.466 178.266 176.870 -0.116 0.000 1.075 632 L CA 1.328 56.089 54.840 -0.131 0.000 0.768 632 L CB -0.708 41.183 42.059 -0.280 0.000 0.933 632 L HN 0.162 nan 8.230 nan 0.000 0.451 633 F N 0.498 120.358 119.950 -0.150 0.000 2.046 633 F HA -0.254 4.273 4.527 0.000 0.000 0.297 633 F C 2.691 178.387 175.800 -0.174 0.000 1.123 633 F CA 1.865 59.749 58.000 -0.193 0.000 1.199 633 F CB -1.101 37.773 39.000 -0.209 0.000 0.972 633 F HN 0.210 nan 8.300 nan 0.000 0.474 634 Q N -1.923 117.819 119.800 -0.096 0.000 2.172 634 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 634 Q C 1.074 176.645 176.000 -0.716 0.000 0.964 634 Q CA 1.206 56.719 55.803 -0.484 0.000 0.855 634 Q CB -0.081 28.197 28.738 -0.767 0.000 0.918 634 Q HN 0.396 nan 8.270 nan 0.000 0.444 635 F N -1.190 118.790 119.950 0.050 0.000 2.781 635 F HA 0.311 4.838 4.527 0.000 0.000 0.322 635 F C 0.980 176.810 175.800 0.051 0.000 1.108 635 F CA -0.614 57.405 58.000 0.031 0.000 1.179 635 F CB 0.310 39.316 39.000 0.010 0.000 1.072 635 F HN -0.150 nan 8.300 nan 0.000 0.545 636 G N 1.034 109.948 108.800 0.191 0.000 2.544 636 G HA2 0.107 4.067 3.960 0.000 0.000 0.242 636 G HA3 0.107 4.067 3.960 0.000 0.000 0.242 636 G C -0.169 174.856 174.900 0.209 0.000 1.247 636 G CA -0.514 44.696 45.100 0.184 0.000 0.840 636 G HN 0.141 nan 8.290 nan 0.000 0.578 637 K N 0.627 121.144 120.400 0.196 0.000 2.447 637 K HA 0.105 4.425 4.320 0.000 0.000 0.281 637 K C -0.600 176.133 176.600 0.221 0.000 1.031 637 K CA -0.138 56.246 56.287 0.161 0.000 1.019 637 K CB 0.135 32.726 32.500 0.151 0.000 0.918 637 K HN 0.314 nan 8.250 nan 0.000 0.476 638 F N 4.629 124.542 119.950 -0.062 0.000 2.399 638 F HA 0.306 4.833 4.527 0.000 0.000 0.334 638 F C -1.063 174.627 175.800 -0.184 0.000 1.097 638 F CA -0.330 57.648 58.000 -0.037 0.000 1.076 638 F CB 0.680 39.614 39.000 -0.110 0.000 1.162 638 F HN 0.465 nan 8.300 nan 0.000 0.495 639 Y N 4.755 124.689 120.300 -0.609 0.000 2.327 639 Y HA 0.411 4.961 4.550 0.000 0.000 0.325 639 Y C -0.247 175.331 175.900 -0.538 0.000 0.999 639 Y CA -1.000 56.865 58.100 -0.391 0.000 1.195 639 Y CB 1.292 39.656 38.460 -0.160 0.000 1.132 639 Y HN 0.410 nan 8.280 nan 0.000 0.455 640 R N 3.351 123.683 120.500 -0.281 0.000 2.491 640 R HA 0.371 4.711 4.340 0.000 0.000 0.283 640 R C -0.048 176.314 176.300 0.104 0.000 1.072 640 R CA 0.352 56.381 56.100 -0.118 0.000 1.048 640 R CB 0.844 30.945 30.300 -0.332 0.000 0.983 640 R HN 0.760 nan 8.270 nan 0.000 0.450 641 I N 0.044 120.736 120.570 0.204 0.000 4.987 641 I HA 0.044 4.214 4.170 0.000 0.000 0.240 641 I C 0.056 176.232 176.117 0.098 0.000 0.946 641 I CA -0.298 61.049 61.300 0.079 0.000 2.026 641 I CB 0.218 38.171 38.000 -0.080 0.000 1.509 641 I HN 0.452 nan 8.210 nan 0.000 0.472 642 D N 2.283 122.699 120.400 0.026 0.000 2.312 642 D HA 0.150 4.790 4.640 0.000 0.000 0.252 642 D C -0.474 175.773 176.300 -0.087 0.000 1.150 642 D CA 0.317 54.298 54.000 -0.031 0.000 0.870 642 D CB 1.570 42.319 40.800 -0.086 0.000 1.153 642 D HN 0.025 nan 8.370 nan 0.000 0.457 643 S N 2.400 118.015 115.700 -0.141 0.000 2.525 643 S HA 0.397 4.867 4.470 0.000 0.000 0.290 643 S C -2.009 172.301 174.600 -0.482 0.000 1.152 643 S CA -1.531 56.379 58.200 -0.483 0.000 1.072 643 S CB 1.706 64.906 63.200 -0.000 0.000 1.027 643 S HN 0.216 nan 8.310 nan 0.000 0.500 644 P HA 0.242 nan 4.420 nan 0.000 0.262 644 P C 0.030 176.909 177.300 -0.702 0.000 1.304 644 P CA 0.123 62.813 63.100 -0.683 0.000 0.859 644 P CB -0.133 31.045 31.700 -0.869 0.000 1.310 645 F N -0.812 118.995 119.950 -0.238 0.000 2.678 645 F HA 0.187 4.714 4.527 0.000 0.000 0.305 645 F C 0.882 176.620 175.800 -0.103 0.000 1.090 645 F CA -0.097 57.813 58.000 -0.150 0.000 1.272 645 F CB 0.421 39.359 39.000 -0.104 0.000 1.060 645 F HN -0.335 nan 8.300 nan 0.000 0.576 646 V N 0.336 120.258 119.914 0.014 0.000 2.540 646 V HA 0.666 4.786 4.120 0.000 0.000 0.302 646 V C 0.379 176.450 176.094 -0.039 0.000 1.035 646 V CA -0.281 62.021 62.300 0.004 0.000 0.873 646 V CB 0.643 32.481 31.823 0.025 0.000 0.992 646 V HN 0.340 nan 8.190 nan 0.000 0.428 647 E N 3.196 123.379 120.200 -0.029 0.000 3.454 647 E HA -0.338 4.012 4.350 0.000 0.000 0.262 647 E C 0.994 177.564 176.600 -0.049 0.000 1.466 647 E CA 1.439 57.817 56.400 -0.037 0.000 2.118 647 E CB -1.513 28.161 29.700 -0.043 0.000 2.041 647 E HN 1.274 nan 8.360 nan 0.000 0.490 648 D N 0.350 120.719 120.400 -0.052 0.000 2.309 648 D HA 0.222 4.862 4.640 0.000 0.000 0.212 648 D C 1.691 177.949 176.300 -0.070 0.000 0.968 648 D CA 2.150 56.120 54.000 -0.051 0.000 0.882 648 D CB -0.864 39.907 40.800 -0.048 0.000 0.918 648 D HN 2.224 nan 8.370 nan 0.000 0.503 649 G N 0.960 109.699 108.800 -0.102 0.000 2.233 649 G HA2 -0.455 3.505 3.960 0.000 0.000 0.270 649 G HA3 -0.455 3.505 3.960 0.000 0.000 0.270 649 G C 0.772 175.583 174.900 -0.149 0.000 1.011 649 G CA 0.608 45.605 45.100 -0.172 0.000 0.762 649 G HN 0.572 nan 8.290 nan 0.000 0.511 650 N N -1.342 117.312 118.700 -0.076 0.000 2.309 650 N HA 0.045 4.785 4.740 0.000 0.000 0.182 650 N C 0.336 175.817 175.510 -0.048 0.000 1.018 650 N CA 1.064 54.097 53.050 -0.028 0.000 0.876 650 N CB 0.059 38.572 38.487 0.043 0.000 0.972 650 N HN 0.281 nan 8.380 nan 0.000 0.434 651 V N 1.270 121.136 119.914 -0.080 0.000 2.376 651 V HA 0.231 4.351 4.120 0.000 0.000 0.287 651 V C -0.412 175.594 176.094 -0.147 0.000 1.015 651 V CA -0.605 61.654 62.300 -0.069 0.000 0.834 651 V CB 1.405 33.210 31.823 -0.029 0.000 1.001 651 V HN -0.030 nan 8.190 nan 0.000 0.428 652 T N 3.999 118.453 114.554 -0.167 0.000 2.837 652 T HA 0.659 5.009 4.350 0.000 0.000 0.285 652 T C -0.057 174.552 174.700 -0.152 0.000 0.984 652 T CA -0.385 61.544 62.100 -0.284 0.000 1.049 652 T CB 1.377 69.990 68.868 -0.425 0.000 0.947 652 T HN 0.881 nan 8.240 nan 0.000 0.472 653 S N 2.837 118.441 115.700 -0.160 0.000 2.543 653 S HA 0.802 5.272 4.470 0.000 0.000 0.271 653 S C -1.433 173.192 174.600 0.041 0.000 1.148 653 S CA -1.135 57.023 58.200 -0.071 0.000 0.914 653 S CB 1.408 64.696 63.200 0.146 0.000 1.096 653 S HN 0.949 nan 8.310 nan 0.000 0.471 654 W N 0.911 122.323 121.300 0.187 0.000 3.025 654 W HA 0.720 5.380 4.660 0.000 0.000 0.343 654 W C -1.626 174.895 176.519 0.004 0.000 1.246 654 W CA -1.021 56.304 57.345 -0.033 0.000 1.178 654 W CB 1.463 30.755 29.460 -0.280 0.000 1.463 654 W HN 0.911 nan 8.180 nan 0.000 0.578 655 Q N 1.758 121.722 119.800 0.272 0.000 2.309 655 Q HA 0.487 4.827 4.340 0.000 0.000 0.273 655 Q C -1.540 174.632 176.000 0.286 0.000 1.040 655 Q CA -0.627 55.393 55.803 0.361 0.000 0.834 655 Q CB 3.282 32.195 28.738 0.292 0.000 1.345 655 Q HN 0.582 nan 8.270 nan 0.000 0.414 656 V N 0.275 120.447 119.914 0.431 0.000 2.732 656 V HA 0.924 5.044 4.120 0.000 0.000 0.310 656 V C -0.796 175.450 176.094 0.253 0.000 1.053 656 V CA -0.493 62.027 62.300 0.367 0.000 0.957 656 V CB 1.796 33.843 31.823 0.374 0.000 1.018 656 V HN 0.528 nan 8.190 nan 0.000 0.452 657 V N 2.772 122.830 119.914 0.240 0.000 2.668 657 V HA 0.531 4.651 4.120 0.000 0.000 0.304 657 V C 0.302 176.488 176.094 0.155 0.000 1.071 657 V CA -0.020 62.389 62.300 0.181 0.000 0.894 657 V CB 1.769 33.725 31.823 0.221 0.000 1.008 657 V HN 1.304 nan 8.190 nan 0.000 0.425 658 S N 1.843 117.609 115.700 0.109 0.000 2.584 658 S HA 0.103 4.573 4.470 0.000 0.000 0.270 658 S C 0.768 175.430 174.600 0.104 0.000 1.346 658 S CA -0.222 58.035 58.200 0.095 0.000 1.018 658 S CB 0.723 63.966 63.200 0.071 0.000 0.899 658 S HN 0.723 nan 8.310 nan 0.000 0.542 659 D N 1.433 121.887 120.400 0.090 0.000 2.158 659 D HA -0.144 4.496 4.640 0.000 0.000 0.197 659 D C 1.394 177.740 176.300 0.077 0.000 0.995 659 D CA 1.789 55.839 54.000 0.083 0.000 0.846 659 D CB -0.339 40.499 40.800 0.064 0.000 0.941 659 D HN 0.900 nan 8.370 nan 0.000 0.456 660 D N -0.175 120.266 120.400 0.068 0.000 2.349 660 D HA -0.105 4.535 4.640 0.000 0.000 0.215 660 D C 0.449 176.796 176.300 0.078 0.000 1.016 660 D CA 0.224 54.260 54.000 0.060 0.000 0.870 660 D CB -0.276 40.547 40.800 0.039 0.000 0.917 660 D HN 0.163 nan 8.370 nan 0.000 0.524 661 Q N -0.994 118.867 119.800 0.102 0.000 2.489 661 Q HA -0.225 4.115 4.340 0.000 0.000 0.259 661 Q C 0.508 176.624 176.000 0.195 0.000 0.934 661 Q CA 1.159 57.045 55.803 0.139 0.000 1.131 661 Q CB -1.778 27.044 28.738 0.141 0.000 1.472 661 Q HN 0.376 nan 8.270 nan 0.000 0.560 662 K N -0.016 120.462 120.400 0.130 0.000 2.353 662 K HA 0.180 4.500 4.320 0.000 0.000 0.195 662 K C 0.356 177.036 176.600 0.133 0.000 1.031 662 K CA 0.287 56.634 56.287 0.100 0.000 1.079 662 K CB 0.615 33.116 32.500 0.001 0.000 0.857 662 K HN 0.149 nan 8.250 nan 0.000 0.535 663 Q N 0.013 119.887 119.800 0.123 0.000 2.305 663 Q HA 0.598 4.938 4.340 0.000 0.000 0.271 663 Q C -1.861 174.171 176.000 0.052 0.000 1.046 663 Q CA -0.621 55.233 55.803 0.085 0.000 0.798 663 Q CB 2.461 31.237 28.738 0.064 0.000 1.286 663 Q HN 0.151 nan 8.270 nan 0.000 0.435 664 A N 3.101 125.928 122.820 0.012 0.000 2.566 664 A HA 0.882 5.202 4.320 0.000 0.000 0.292 664 A C -1.510 176.071 177.584 -0.006 0.000 1.112 664 A CA -0.544 51.503 52.037 0.016 0.000 0.707 664 A CB 1.385 20.399 19.000 0.024 0.000 1.302 664 A HN 0.663 nan 8.150 nan 0.000 0.409 665 I N 0.402 121.028 120.570 0.092 0.000 2.569 665 I HA 0.621 4.792 4.170 0.000 0.000 0.290 665 I C 0.168 176.584 176.117 0.498 0.000 1.088 665 I CA -0.399 61.035 61.300 0.223 0.000 1.047 665 I CB 2.160 40.234 38.000 0.123 0.000 1.237 665 I HN 0.830 nan 8.210 nan 0.000 0.421 666 A N 4.514 127.657 122.820 0.539 0.000 2.354 666 A HA 1.005 5.325 4.320 0.000 0.000 0.321 666 A C -0.962 176.952 177.584 0.550 0.000 1.125 666 A CA -0.578 51.794 52.037 0.557 0.000 0.799 666 A CB 1.772 21.001 19.000 0.381 0.000 1.293 666 A HN 0.824 nan 8.150 nan 0.000 0.452 667 A N 0.835 123.915 122.820 0.434 0.000 2.449 667 A HA 0.795 5.115 4.320 0.000 0.000 0.302 667 A C -0.497 176.976 177.584 -0.186 0.000 1.048 667 A CA -0.621 51.461 52.037 0.075 0.000 0.708 667 A CB 1.239 20.289 19.000 0.082 0.000 1.274 667 A HN 0.982 nan 8.150 nan 0.000 0.410 668 R N 1.878 122.174 120.500 -0.340 0.000 2.439 668 R HA 0.613 4.953 4.340 0.000 0.000 0.310 668 R C -1.949 174.099 176.300 -0.420 0.000 0.955 668 R CA -0.314 55.684 56.100 -0.170 0.000 0.853 668 R CB 0.846 31.234 30.300 0.147 0.000 1.171 668 R HN 0.718 nan 8.270 nan 0.000 0.449 669 Y N 1.891 122.123 120.300 -0.113 0.000 2.409 669 Y HA 0.339 4.889 4.550 0.000 0.000 0.339 669 Y C -0.012 175.856 175.900 -0.053 0.000 1.033 669 Y CA -0.746 57.295 58.100 -0.098 0.000 1.094 669 Y CB 2.101 40.444 38.460 -0.194 0.000 1.210 669 Y HN 0.408 nan 8.280 nan 0.000 0.456 670 Q N 3.386 123.273 119.800 0.145 0.000 2.275 670 Q HA 0.354 4.694 4.340 0.000 0.000 0.266 670 Q C -0.507 175.542 176.000 0.080 0.000 1.002 670 Q CA -0.248 55.602 55.803 0.078 0.000 0.761 670 Q CB 1.573 30.341 28.738 0.050 0.000 1.255 670 Q HN 0.976 nan 8.270 nan 0.000 0.446 671 L N 2.534 123.798 121.223 0.067 0.000 1.988 671 L HA -0.033 4.307 4.340 0.000 0.000 0.207 671 L C 0.348 177.129 176.870 -0.148 0.000 1.071 671 L CA 0.982 55.897 54.840 0.125 0.000 0.744 671 L CB -0.048 42.105 42.059 0.157 0.000 0.893 671 L HN 0.449 nan 8.230 nan 0.000 0.433 672 L N 0.391 121.507 121.223 -0.178 0.000 2.313 672 L HA 0.302 4.642 4.340 0.000 0.000 0.283 672 L C -0.258 176.281 176.870 -0.551 0.000 1.013 672 L CA -0.198 54.410 54.840 -0.386 0.000 0.816 672 L CB 0.843 42.707 42.059 -0.325 0.000 1.236 672 L HN 0.007 nan 8.230 nan 0.000 0.419 673 N N 2.423 120.812 118.700 -0.519 0.000 2.499 673 N HA 0.272 5.012 4.740 0.000 0.000 0.281 673 N C -0.962 174.208 175.510 -0.567 0.000 1.098 673 N CA -0.100 52.692 53.050 -0.430 0.000 0.979 673 N CB 0.596 38.905 38.487 -0.297 0.000 1.121 673 N HN 0.394 nan 8.380 nan 0.000 0.466 674 H N 1.937 120.950 119.070 -0.094 0.000 2.569 674 H HA 0.426 4.982 4.556 0.000 0.000 0.357 674 H C -1.986 173.296 175.328 -0.076 0.000 1.153 674 H CA -1.449 54.552 56.048 -0.078 0.000 1.193 674 H CB 1.297 31.019 29.762 -0.067 0.000 1.602 674 H HN 0.588 nan 8.280 nan 0.000 0.523 675 P HA -0.028 nan 4.420 nan 0.000 0.274 675 P C 0.169 177.465 177.300 -0.006 0.000 1.246 675 P CA -0.423 62.677 63.100 -0.000 0.000 0.795 675 P CB 0.667 32.365 31.700 -0.004 0.000 1.006 676 N N -1.301 117.385 118.700 -0.023 0.000 2.686 676 N HA -0.195 4.545 4.740 0.000 0.000 0.261 676 N C -0.604 174.876 175.510 -0.049 0.000 1.001 676 N CA 0.821 53.849 53.050 -0.037 0.000 0.764 676 N CB -1.330 37.135 38.487 -0.036 0.000 0.898 676 N HN 0.633 nan 8.380 nan 0.000 0.544 677 A N 1.012 123.805 122.820 -0.045 0.000 2.304 677 A HA 0.652 4.972 4.320 0.000 0.000 0.271 677 A C -1.568 175.961 177.584 -0.093 0.000 1.091 677 A CA -0.934 51.074 52.037 -0.048 0.000 0.812 677 A CB 0.135 19.120 19.000 -0.025 0.000 1.056 677 A HN 0.399 nan 8.150 nan 0.000 0.489 678 P HA 0.129 nan 4.420 nan 0.000 0.268 678 P C -0.861 176.395 177.300 -0.072 0.000 1.208 678 P CA 0.169 63.197 63.100 -0.120 0.000 0.777 678 P CB 0.024 31.686 31.700 -0.064 0.000 0.875 679 Y N 0.166 120.437 120.300 -0.049 0.000 2.717 679 Y HA 0.035 4.585 4.550 0.000 0.000 0.330 679 Y C 1.399 177.154 175.900 -0.242 0.000 1.217 679 Y CA 0.317 58.330 58.100 -0.144 0.000 1.506 679 Y CB -0.665 37.799 38.460 0.008 0.000 1.268 679 Y HN 0.189 nan 8.280 nan 0.000 0.561 680 T N 5.855 120.259 114.554 -0.249 0.000 2.780 680 T HA 0.378 4.728 4.350 0.000 0.000 0.294 680 T C 0.096 174.611 174.700 -0.308 0.000 0.949 680 T CA -0.589 61.373 62.100 -0.228 0.000 1.074 680 T CB 0.204 68.953 68.868 -0.199 0.000 0.910 680 T HN 0.430 nan 8.240 nan 0.000 0.501 681 R N 2.851 123.260 120.500 -0.151 0.000 2.409 681 R HA 0.476 4.816 4.340 0.000 0.000 0.313 681 R C -1.486 174.685 176.300 -0.215 0.000 0.953 681 R CA -0.692 55.281 56.100 -0.211 0.000 0.849 681 R CB 0.736 30.909 30.300 -0.211 0.000 1.171 681 R HN 0.584 nan 8.270 nan 0.000 0.458 682 F N 4.311 124.017 119.950 -0.406 0.000 2.420 682 F HA 0.395 4.922 4.527 0.000 0.000 0.342 682 F C -1.301 174.149 175.800 -0.584 0.000 1.113 682 F CA -0.476 57.259 58.000 -0.441 0.000 1.059 682 F CB 0.812 39.457 39.000 -0.593 0.000 1.128 682 F HN 0.492 nan 8.300 nan 0.000 0.475 683 Y N 6.844 126.639 120.300 -0.841 0.000 2.587 683 Y HA 0.328 4.878 4.550 0.000 0.000 0.328 683 Y C -0.419 175.156 175.900 -0.541 0.000 0.980 683 Y CA -0.771 57.042 58.100 -0.478 0.000 1.272 683 Y CB 0.230 38.492 38.460 -0.330 0.000 1.094 683 Y HN 0.433 nan 8.280 nan 0.000 0.503 684 F N 3.041 122.941 119.950 -0.083 0.000 2.532 684 F HA 0.232 4.759 4.527 0.000 0.000 0.323 684 F C 0.566 176.273 175.800 -0.155 0.000 1.234 684 F CA 0.261 58.220 58.000 -0.068 0.000 1.323 684 F CB 0.509 39.443 39.000 -0.110 0.000 1.183 684 F HN 0.195 nan 8.300 nan 0.000 0.589 685 K N -0.428 119.948 120.400 -0.040 0.000 2.512 685 K HA 0.464 4.784 4.320 0.000 0.000 0.263 685 K C 0.324 176.618 176.600 -0.511 0.000 0.966 685 K CA -0.211 55.897 56.287 -0.300 0.000 0.851 685 K CB 1.661 33.888 32.500 -0.456 0.000 1.395 685 K HN 0.682 nan 8.250 nan 0.000 0.440 686 G N 0.543 109.046 108.800 -0.495 0.000 2.184 686 G HA2 -0.258 3.702 3.960 0.000 0.000 0.264 686 G HA3 -0.258 3.702 3.960 0.000 0.000 0.264 686 G C 0.146 174.960 174.900 -0.143 0.000 0.975 686 G CA 0.559 45.416 45.100 -0.406 0.000 0.642 686 G HN 0.327 nan 8.290 nan 0.000 0.536 687 L N -0.528 120.600 121.223 -0.158 0.000 2.468 687 L HA 0.543 4.883 4.340 0.000 0.000 0.254 687 L C 1.315 178.211 176.870 0.044 0.000 1.171 687 L CA -0.942 53.827 54.840 -0.118 0.000 0.809 687 L CB 0.397 42.196 42.059 -0.435 0.000 1.155 687 L HN 0.039 nan 8.230 nan 0.000 0.473 688 R N 0.895 121.518 120.500 0.206 0.000 2.265 688 R HA 0.172 4.512 4.340 0.000 0.000 0.314 688 R C -1.644 174.785 176.300 0.215 0.000 1.053 688 R CA -1.559 54.658 56.100 0.196 0.000 0.931 688 R CB 1.004 31.421 30.300 0.194 0.000 1.024 688 R HN 0.337 nan 8.270 nan 0.000 0.457 689 P HA -0.118 nan 4.420 nan 0.000 0.216 689 P C 0.034 177.461 177.300 0.211 0.000 1.150 689 P CA 1.223 64.413 63.100 0.149 0.000 0.837 689 P CB 0.306 32.064 31.700 0.097 0.000 0.786 690 N N -0.923 117.894 118.700 0.195 0.000 2.279 690 N HA 0.072 4.812 4.740 0.000 0.000 0.226 690 N C 0.223 175.894 175.510 0.269 0.000 1.126 690 N CA 0.162 53.355 53.050 0.238 0.000 0.846 690 N CB 0.036 38.603 38.487 0.135 0.000 1.050 690 N HN 0.226 nan 8.380 nan 0.000 0.502 691 Q N 0.572 120.506 119.800 0.223 0.000 2.345 691 Q HA 0.415 4.755 4.340 0.000 0.000 0.268 691 Q C -0.787 175.125 176.000 -0.146 0.000 1.054 691 Q CA -0.546 55.252 55.803 -0.009 0.000 0.835 691 Q CB 1.466 30.151 28.738 -0.088 0.000 1.339 691 Q HN 0.003 nan 8.270 nan 0.000 0.447 692 R N 2.206 122.462 120.500 -0.406 0.000 2.540 692 R HA 0.560 4.900 4.340 0.000 0.000 0.287 692 R C -0.910 175.116 176.300 -0.458 0.000 0.980 692 R CA -0.455 55.380 56.100 -0.443 0.000 0.966 692 R CB 1.130 31.093 30.300 -0.561 0.000 1.106 692 R HN 0.627 nan 8.270 nan 0.000 0.480 693 Y N -0.155 120.053 120.300 -0.154 0.000 2.615 693 Y HA 0.304 4.854 4.550 0.000 0.000 0.341 693 Y C -0.243 175.616 175.900 -0.068 0.000 1.089 693 Y CA -0.887 57.148 58.100 -0.109 0.000 1.049 693 Y CB 2.477 40.856 38.460 -0.136 0.000 1.296 693 Y HN 0.274 nan 8.280 nan 0.000 0.470 694 Q N 1.932 121.802 119.800 0.117 0.000 2.285 694 Q HA 0.533 4.873 4.340 0.000 0.000 0.269 694 Q C -1.621 174.412 176.000 0.054 0.000 1.030 694 Q CA -0.559 55.291 55.803 0.078 0.000 0.788 694 Q CB 2.808 31.564 28.738 0.030 0.000 1.266 694 Q HN 0.599 nan 8.270 nan 0.000 0.438 695 I N 4.023 124.631 120.570 0.063 0.000 2.359 695 I HA 0.217 4.387 4.170 0.000 0.000 0.284 695 I C -0.145 176.033 176.117 0.100 0.000 1.018 695 I CA -0.272 61.029 61.300 0.002 0.000 1.173 695 I CB 0.748 38.623 38.000 -0.209 0.000 1.326 695 I HN 0.687 nan 8.210 nan 0.000 0.462 696 N N 4.224 122.979 118.700 0.090 0.000 1.202 696 N HA -0.293 4.447 4.740 0.000 0.000 0.108 696 N C 0.618 176.186 175.510 0.097 0.000 0.816 696 N CA 1.736 54.840 53.050 0.090 0.000 0.848 696 N CB -0.547 37.996 38.487 0.092 0.000 0.972 696 N HN 0.804 nan 8.380 nan 0.000 0.645 697 D N 0.213 120.671 120.400 0.097 0.000 2.349 697 D HA -0.014 4.626 4.640 0.000 0.000 0.215 697 D C -0.126 176.238 176.300 0.106 0.000 1.016 697 D CA 0.162 54.213 54.000 0.085 0.000 0.870 697 D CB -0.666 40.173 40.800 0.065 0.000 0.917 697 D HN 0.517 nan 8.370 nan 0.000 0.524 698 D N 2.794 123.292 120.400 0.164 0.000 2.660 698 D HA -0.079 4.561 4.640 0.000 0.000 0.253 698 D C -0.927 175.453 176.300 0.133 0.000 1.256 698 D CA -0.819 53.306 54.000 0.208 0.000 0.914 698 D CB 1.295 42.328 40.800 0.388 0.000 1.137 698 D HN 0.074 nan 8.370 nan 0.000 0.542 699 P HA -0.113 nan 4.420 nan 0.000 0.218 699 P C 0.583 177.867 177.300 -0.028 0.000 1.148 699 P CA 0.370 63.484 63.100 0.024 0.000 0.822 699 P CB 0.299 32.008 31.700 0.016 0.000 0.784 700 S N -0.212 115.453 115.700 -0.058 0.000 2.600 700 S HA 0.278 4.748 4.470 0.000 0.000 0.265 700 S C 0.608 174.974 174.600 -0.390 0.000 1.325 700 S CA -0.070 57.981 58.200 -0.248 0.000 1.002 700 S CB 0.273 63.251 63.200 -0.369 0.000 0.921 700 S HN 0.307 nan 8.310 nan 0.000 0.554 701 T N 0.569 114.841 114.554 -0.471 0.000 2.888 701 T HA 0.699 5.049 4.350 0.000 0.000 0.284 701 T C -1.305 173.035 174.700 -0.601 0.000 1.017 701 T CA -0.573 61.274 62.100 -0.420 0.000 1.022 701 T CB 0.608 69.322 68.868 -0.257 0.000 1.013 701 T HN 0.451 nan 8.240 nan 0.000 0.465 702 Y N -0.029 120.252 120.300 -0.031 0.000 2.477 702 Y HA 0.521 5.071 4.550 0.000 0.000 0.347 702 Y C -0.411 175.493 175.900 0.006 0.000 0.981 702 Y CA -1.491 56.628 58.100 0.032 0.000 1.033 702 Y CB 1.454 39.950 38.460 0.059 0.000 1.245 702 Y HN 0.639 nan 8.280 nan 0.000 0.455 703 Y N 0.647 121.086 120.300 0.232 0.000 2.336 703 Y HA 0.233 4.783 4.550 0.000 0.000 0.331 703 Y C 1.564 177.586 175.900 0.204 0.000 1.211 703 Y CA 0.744 58.960 58.100 0.194 0.000 1.346 703 Y CB 1.023 39.559 38.460 0.126 0.000 1.271 703 Y HN 0.922 nan 8.280 nan 0.000 0.538 704 G N 1.432 110.461 108.800 0.381 0.000 2.476 704 G HA2 -0.370 3.590 3.960 0.000 0.000 0.218 704 G HA3 -0.370 3.590 3.960 0.000 0.000 0.218 704 G C 1.249 176.222 174.900 0.121 0.000 1.164 704 G CA 1.327 46.526 45.100 0.164 0.000 0.768 704 G HN 0.842 nan 8.290 nan 0.000 0.560 705 D N 0.589 121.095 120.400 0.177 0.000 2.218 705 D HA -0.086 4.554 4.640 0.000 0.000 0.204 705 D C 1.946 178.327 176.300 0.135 0.000 0.976 705 D CA 1.330 55.407 54.000 0.129 0.000 0.853 705 D CB -0.602 40.259 40.800 0.102 0.000 0.939 705 D HN 0.489 nan 8.370 nan 0.000 0.481 706 E N -0.083 120.228 120.200 0.184 0.000 2.051 706 E HA -0.032 4.318 4.350 0.000 0.000 0.192 706 E C 0.991 177.665 176.600 0.122 0.000 0.991 706 E CA 0.487 56.992 56.400 0.174 0.000 0.799 706 E CB 0.044 29.905 29.700 0.268 0.000 0.748 706 E HN 0.341 nan 8.360 nan 0.000 0.449 710 A N 0.799 123.726 122.820 0.179 0.000 1.997 710 A HA 0.632 4.952 4.320 0.000 0.000 0.212 710 A C 1.146 178.702 177.584 -0.047 0.000 1.178 710 A CA 1.537 53.653 52.037 0.131 0.000 0.698 710 A CB -0.316 18.738 19.000 0.089 0.000 0.842 710 A HN 0.699 nan 8.150 nan 0.000 0.458 711 G N -1.887 106.817 108.800 -0.159 0.000 2.728 711 G HA2 -0.058 3.902 3.960 0.000 0.000 0.294 711 G HA3 -0.058 3.902 3.960 0.000 0.000 0.294 711 G C -0.539 174.271 174.900 -0.150 0.000 1.342 711 G CA -0.067 44.719 45.100 -0.523 0.000 0.866 711 G HN 1.484 nan 8.290 nan 0.000 0.534 712 Y N -0.661 119.472 120.300 -0.277 0.000 2.386 712 Y HA 0.612 5.163 4.550 0.000 0.000 0.334 712 Y C -0.245 175.616 175.900 -0.064 0.000 1.002 712 Y CA -1.382 56.636 58.100 -0.137 0.000 1.068 712 Y CB 1.387 39.824 38.460 -0.038 0.000 1.203 712 Y HN 0.958 nan 8.280 nan 0.000 0.443 713 F N 7.338 126.953 119.950 -0.557 0.000 2.502 713 F HA 0.445 4.972 4.527 -0.000 0.000 0.371 713 F C -0.973 174.549 175.800 -0.463 0.000 1.083 713 F CA -0.247 57.500 58.000 -0.422 0.000 1.174 713 F CB 0.248 39.030 39.000 -0.363 0.000 1.096 713 F HN 0.254 nan 8.300 nan 0.000 0.545 714 V N 8.744 128.418 119.914 -0.399 0.000 2.427 714 V HA 0.325 4.445 4.120 0.000 0.000 0.286 714 V C -1.882 174.047 176.094 -0.275 0.000 1.034 714 V CA -1.959 60.265 62.300 -0.126 0.000 0.893 714 V CB 1.163 33.045 31.823 0.100 0.000 0.982 714 V HN 0.656 nan 8.190 nan 0.000 0.452 715 P HA 0.054 nan 4.420 nan 0.000 0.269 715 P C 0.073 177.358 177.300 -0.025 0.000 1.211 715 P CA 0.218 63.370 63.100 0.087 0.000 0.781 715 P CB 0.252 32.019 31.700 0.112 0.000 0.877 716 T N 1.969 116.531 114.554 0.012 0.000 2.910 716 T HA 0.286 4.636 4.350 0.000 0.000 0.293 716 T C 0.599 175.244 174.700 -0.091 0.000 1.015 716 T CA -0.189 61.892 62.100 -0.032 0.000 1.094 716 T CB -0.089 68.795 68.868 0.028 0.000 0.968 716 T HN 0.163 nan 8.240 nan 0.000 0.521 717 I N 4.145 124.605 120.570 -0.185 0.000 2.406 717 I HA 0.173 4.343 4.170 0.000 0.000 0.293 717 I C 0.063 176.030 176.117 -0.250 0.000 1.101 717 I CA 0.001 61.087 61.300 -0.356 0.000 1.334 717 I CB -0.136 37.505 38.000 -0.598 0.000 1.421 717 I HN 0.280 nan 8.210 nan 0.000 0.513 718 L N 5.845 126.956 121.223 -0.186 0.000 2.343 718 L HA 0.642 4.982 4.340 0.000 0.000 0.275 718 L C 0.676 177.482 176.870 -0.107 0.000 1.056 718 L CA -0.785 53.989 54.840 -0.110 0.000 0.804 718 L CB 1.425 43.452 42.059 -0.053 0.000 1.203 718 L HN 0.591 nan 8.230 nan 0.000 0.440 719 A N 1.203 123.976 122.820 -0.079 0.000 2.407 719 A HA 0.323 4.643 4.320 0.000 0.000 0.248 719 A C 0.068 177.631 177.584 -0.034 0.000 1.082 719 A CA -0.057 51.944 52.037 -0.060 0.000 0.785 719 A CB 0.122 19.092 19.000 -0.050 0.000 1.020 719 A HN 0.882 nan 8.150 nan 0.000 0.489 720 D N -0.662 119.726 120.400 -0.021 0.000 2.563 720 D HA 0.262 4.902 4.640 0.000 0.000 0.256 720 D C 0.874 177.173 176.300 -0.000 0.000 1.400 720 D CA 0.804 54.800 54.000 -0.006 0.000 0.800 720 D CB -0.584 40.219 40.800 0.005 0.000 1.145 720 D HN 1.465 nan 8.370 nan 0.000 0.501 721 G N 0.577 109.374 108.800 -0.005 0.000 2.220 721 G HA2 -0.409 3.551 3.960 0.000 0.000 0.269 721 G HA3 -0.409 3.551 3.960 0.000 0.000 0.269 721 G C 1.127 176.030 174.900 0.005 0.000 0.977 721 G CA 0.972 46.071 45.100 -0.001 0.000 0.634 721 G HN 0.372 nan 8.290 nan 0.000 0.539 722 Q N 0.334 120.140 119.800 0.010 0.000 2.159 722 Q HA 0.181 4.521 4.340 0.000 0.000 0.194 722 Q C 1.480 177.492 176.000 0.020 0.000 0.968 722 Q CA 1.723 57.536 55.803 0.017 0.000 0.837 722 Q CB 0.114 28.866 28.738 0.022 0.000 0.920 722 Q HN 0.924 nan 8.270 nan 0.000 0.485 723 E N -0.453 119.761 120.200 0.024 0.000 2.393 723 E HA 0.516 4.866 4.350 0.000 0.000 0.265 723 E C -0.876 175.736 176.600 0.020 0.000 0.941 723 E CA -0.722 55.697 56.400 0.032 0.000 0.801 723 E CB 1.490 31.221 29.700 0.051 0.000 1.313 723 E HN -0.162 nan 8.360 nan 0.000 0.435 724 S N -0.301 115.411 115.700 0.020 0.000 2.572 724 S HA 0.088 4.558 4.470 0.000 0.000 0.279 724 S C 0.228 174.827 174.600 -0.002 0.000 1.341 724 S CA -0.437 57.755 58.200 -0.014 0.000 1.043 724 S CB 0.321 63.510 63.200 -0.019 0.000 0.887 724 S HN 0.452 nan 8.310 nan 0.000 0.516 725 K N 2.281 122.640 120.400 -0.067 0.000 2.414 725 K HA 0.286 4.606 4.320 0.000 0.000 0.204 725 K C -0.585 175.941 176.600 -0.124 0.000 1.026 725 K CA -0.197 56.049 56.287 -0.069 0.000 1.108 725 K CB -0.140 32.243 32.500 -0.196 0.000 0.855 725 K HN 0.500 nan 8.250 nan 0.000 0.517 726 D N 1.082 121.338 120.400 -0.241 0.000 2.339 726 D HA 0.138 4.778 4.640 0.000 0.000 0.245 726 D C 0.296 176.342 176.300 -0.422 0.000 1.115 726 D CA -0.220 53.457 54.000 -0.538 0.000 0.917 726 D CB 0.380 40.615 40.800 -0.941 0.000 1.192 726 D HN -0.024 nan 8.370 nan 0.000 0.428 727 F N -0.288 119.687 119.950 0.042 0.000 2.797 727 F HA -0.254 4.273 4.527 0.000 0.000 0.273 727 F C -0.427 175.432 175.800 0.098 0.000 1.020 727 F CA 0.032 58.062 58.000 0.050 0.000 0.961 727 F CB -2.663 36.346 39.000 0.016 0.000 1.020 727 F HN 0.297 nan 8.300 nan 0.000 0.840 728 Y N 0.463 120.810 120.300 0.079 0.000 2.360 728 Y HA 0.663 5.214 4.550 0.000 0.000 0.337 728 Y C 0.582 176.489 175.900 0.013 0.000 1.039 728 Y CA -0.644 57.470 58.100 0.024 0.000 1.109 728 Y CB 1.439 39.874 38.460 -0.042 0.000 1.201 728 Y HN 0.213 nan 8.280 nan 0.000 0.458 729 T N 5.238 119.556 114.554 -0.394 0.000 2.888 729 T HA 0.431 4.781 4.350 0.000 0.000 0.284 729 T C -1.132 173.324 174.700 -0.406 0.000 1.017 729 T CA -0.888 61.003 62.100 -0.349 0.000 1.022 729 T CB 1.413 70.124 68.868 -0.261 0.000 1.013 729 T HN 0.528 nan 8.240 nan 0.000 0.465 730 Q N 1.784 121.359 119.800 -0.375 0.000 2.397 730 Q HA 0.462 4.802 4.340 0.000 0.000 0.260 730 Q C -1.267 174.363 176.000 -0.617 0.000 1.002 730 Q CA -0.376 55.168 55.803 -0.430 0.000 0.716 730 Q CB 1.571 30.123 28.738 -0.311 0.000 1.258 730 Q HN 0.486 nan 8.270 nan 0.000 0.477 731 L N 2.568 123.497 121.223 -0.491 0.000 2.350 731 L HA 0.477 4.818 4.340 0.000 0.000 0.275 731 L C -1.124 175.428 176.870 -0.530 0.000 1.099 731 L CA 0.072 54.739 54.840 -0.288 0.000 0.808 731 L CB 0.506 42.552 42.059 -0.021 0.000 1.149 731 L HN 0.497 nan 8.230 nan 0.000 0.442 732 F N 3.248 123.222 119.950 0.040 0.000 2.577 732 F HA 0.356 4.883 4.527 0.000 0.000 0.344 732 F C -0.291 175.559 175.800 0.082 0.000 1.145 732 F CA -0.832 57.194 58.000 0.043 0.000 0.996 732 F CB 1.255 40.283 39.000 0.047 0.000 1.248 732 F HN -0.042 nan 8.300 nan 0.000 0.447 733 V N 4.423 124.434 119.914 0.162 0.000 2.461 733 V HA 0.320 4.440 4.120 0.000 0.000 0.275 733 V C -0.085 176.025 176.094 0.028 0.000 1.047 733 V CA -0.548 61.787 62.300 0.059 0.000 0.955 733 V CB 1.308 33.134 31.823 0.005 0.000 0.988 733 V HN 0.442 nan 8.190 nan 0.000 0.471 734 V N 4.848 124.748 119.914 -0.023 0.000 2.334 734 V HA 0.472 4.592 4.120 0.000 0.000 0.281 734 V C 0.178 176.288 176.094 0.026 0.000 1.016 734 V CA -0.196 62.055 62.300 -0.082 0.000 0.832 734 V CB 1.715 33.373 31.823 -0.274 0.000 0.999 734 V HN 0.961 nan 8.190 nan 0.000 0.439 735 T N 3.983 118.584 114.554 0.080 0.000 2.863 735 T HA 0.727 5.077 4.350 0.000 0.000 0.285 735 T C 0.243 174.987 174.700 0.073 0.000 1.009 735 T CA -0.232 61.926 62.100 0.097 0.000 0.989 735 T CB 1.908 70.817 68.868 0.068 0.000 1.004 735 T HN 0.856 nan 8.240 nan 0.000 0.455 736 A N 2.090 124.888 122.820 -0.036 0.000 2.296 736 A HA 0.635 4.955 4.320 0.000 0.000 0.264 736 A C -0.164 177.298 177.584 -0.202 0.000 1.097 736 A CA -0.389 51.468 52.037 -0.300 0.000 0.811 736 A CB -0.031 18.733 19.000 -0.393 0.000 1.072 736 A HN 0.652 nan 8.150 nan 0.000 0.495 737 I N 0.604 121.015 120.570 -0.265 0.000 2.312 737 I HA 0.384 4.554 4.170 0.000 0.000 0.291 737 I C 0.898 176.927 176.117 -0.146 0.000 1.031 737 I CA 0.336 61.528 61.300 -0.179 0.000 1.293 737 I CB 0.149 38.029 38.000 -0.200 0.000 1.403 737 I HN 0.672 nan 8.210 nan 0.000 0.484 738 L N 0.000 121.164 121.223 -0.098 0.000 2.949 738 L HA 0.000 4.340 4.340 0.000 0.000 0.249 738 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 738 L CB 0.000 42.028 42.059 -0.052 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502