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 3gxd_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.550 177.584 -0.056 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.963 19.000 -0.061 0.000 0.831 2 R N 1.376 121.799 120.500 -0.128 0.000 2.308 2 R HA 0.528 4.869 4.340 0.001 0.000 0.305 2 R C -2.417 173.827 176.300 -0.094 0.000 1.053 2 R CA -1.381 54.641 56.100 -0.130 0.000 0.957 2 R CB 0.696 30.754 30.300 -0.404 0.000 1.022 2 R HN 0.526 nan 8.270 nan 0.000 0.461 3 P HA 0.049 nan 4.420 nan 0.000 0.279 3 P C -0.469 176.904 177.300 0.122 0.000 1.282 3 P CA -0.639 62.494 63.100 0.055 0.000 0.788 3 P CB 0.657 32.397 31.700 0.066 0.000 1.139 4 c N 1.620 120.260 118.600 0.066 0.000 2.499 4 c HA 0.387 4.958 4.570 0.001 0.000 0.386 4 c C 0.698 174.835 174.090 0.079 0.000 1.293 4 c CA -0.569 55.810 56.329 0.083 0.000 1.884 4 c CB -2.286 40.232 42.510 0.012 0.000 2.509 4 c HN 0.357 nan 8.230 nan 0.000 0.566 5 I N 9.566 130.195 120.570 0.099 0.000 2.294 5 I HA 0.258 4.429 4.170 0.001 0.000 0.295 5 I C -1.673 174.456 176.117 0.020 0.000 1.098 5 I CA -1.269 60.022 61.300 -0.014 0.000 1.277 5 I CB 0.832 38.728 38.000 -0.173 0.000 1.434 5 I HN 0.608 nan 8.210 nan 0.000 0.498 6 P HA 0.187 nan 4.420 nan 0.000 0.281 6 P C -0.998 176.323 177.300 0.036 0.000 1.252 6 P CA -0.528 62.596 63.100 0.040 0.000 0.778 6 P CB 1.039 32.750 31.700 0.017 0.000 0.895 7 K N 1.737 122.192 120.400 0.092 0.000 2.259 7 K HA 0.472 4.793 4.320 0.001 0.000 0.252 7 K C -0.318 176.316 176.600 0.057 0.000 0.936 7 K CA -0.657 55.648 56.287 0.030 0.000 0.810 7 K CB 1.487 34.022 32.500 0.058 0.000 1.143 7 K HN 0.376 nan 8.250 nan 0.000 0.427 8 S N 2.505 118.162 115.700 -0.072 0.000 2.617 8 S HA 0.498 4.969 4.470 0.001 0.000 0.283 8 S C -0.559 173.941 174.600 -0.167 0.000 1.189 8 S CA -0.495 57.700 58.200 -0.008 0.000 1.036 8 S CB 0.376 63.550 63.200 -0.045 0.000 1.014 8 S HN 0.530 nan 8.310 nan 0.000 0.522 9 F N 1.706 121.625 119.950 -0.052 0.000 2.810 9 F HA 0.414 4.942 4.527 0.001 0.000 0.353 9 F C 1.431 177.053 175.800 -0.297 0.000 1.227 9 F CA -0.029 57.905 58.000 -0.109 0.000 1.210 9 F CB 0.661 39.638 39.000 -0.038 0.000 1.039 9 F HN 0.921 nan 8.300 nan 0.000 0.509 10 G N -0.444 108.273 108.800 -0.138 0.000 2.148 10 G HA2 -0.329 3.631 3.960 0.001 0.000 0.254 10 G HA3 -0.329 3.631 3.960 0.001 0.000 0.254 10 G C -0.017 174.624 174.900 -0.431 0.000 0.981 10 G CA -0.028 44.906 45.100 -0.277 0.000 0.670 10 G HN 0.413 nan 8.290 nan 0.000 0.528 11 Y N 0.054 120.407 120.300 0.087 0.000 2.593 11 Y HA 0.474 5.025 4.550 0.001 0.000 0.330 11 Y C 2.116 178.052 175.900 0.060 0.000 1.223 11 Y CA -0.134 58.009 58.100 0.072 0.000 1.350 11 Y CB 0.839 39.346 38.460 0.078 0.000 1.499 11 Y HN 0.194 nan 8.280 nan 0.000 0.554 12 S N -1.284 114.568 115.700 0.252 0.000 2.423 12 S HA -0.024 4.446 4.470 0.001 0.000 0.231 12 S C 0.737 175.383 174.600 0.077 0.000 1.014 12 S CA 0.908 59.175 58.200 0.113 0.000 0.965 12 S CB -0.100 63.144 63.200 0.073 0.000 0.785 12 S HN 0.488 nan 8.310 nan 0.000 0.495 13 S N -0.531 115.266 115.700 0.162 0.000 2.903 13 S HA 0.730 5.201 4.470 0.001 0.000 0.314 13 S C -0.840 173.872 174.600 0.187 0.000 1.177 13 S CA -0.190 58.089 58.200 0.132 0.000 0.859 13 S CB 1.049 64.364 63.200 0.191 0.000 1.265 13 S HN 0.828 nan 8.310 nan 0.000 0.584 14 V N 0.372 120.395 119.914 0.182 0.000 3.103 14 V HA 0.975 5.096 4.120 0.001 0.000 0.318 14 V C -0.041 176.185 176.094 0.221 0.000 1.114 14 V CA -0.409 62.000 62.300 0.182 0.000 1.020 14 V CB 1.037 32.926 31.823 0.110 0.000 1.085 14 V HN 1.026 nan 8.190 nan 0.000 0.446 15 V N -1.149 118.906 119.914 0.235 0.000 2.975 15 V HA 0.697 4.817 4.120 0.001 0.000 0.318 15 V C 0.029 176.268 176.094 0.241 0.000 1.077 15 V CA -0.549 61.901 62.300 0.249 0.000 1.000 15 V CB 1.305 33.254 31.823 0.209 0.000 1.066 15 V HN 1.112 nan 8.190 nan 0.000 0.452 16 c N 2.997 121.751 118.600 0.257 0.000 2.265 16 c HA 0.602 5.173 4.570 0.001 0.000 0.332 16 c C 0.354 174.541 174.090 0.162 0.000 1.248 16 c CA -0.718 55.724 56.329 0.189 0.000 1.727 16 c CB -0.151 42.481 42.510 0.204 0.000 2.348 16 c HN 0.739 nan 8.230 nan 0.000 0.519 17 V N 3.422 123.416 119.914 0.135 0.000 2.427 17 V HA 0.242 4.362 4.120 0.001 0.000 0.268 17 V C 0.396 176.398 176.094 -0.153 0.000 1.046 17 V CA -0.072 62.251 62.300 0.037 0.000 0.970 17 V CB -0.042 31.823 31.823 0.071 0.000 1.001 17 V HN 1.032 nan 8.190 nan 0.000 0.476 18 c N 5.736 124.053 118.600 -0.472 0.000 2.529 18 c HA 0.823 5.394 4.570 0.001 0.000 0.329 18 c C 0.414 174.053 174.090 -0.751 0.000 1.194 18 c CA -0.497 55.428 56.329 -0.673 0.000 1.779 18 c CB 1.470 43.187 42.510 -1.322 0.000 2.322 18 c HN 1.119 nan 8.230 nan 0.000 0.500 19 N N 0.520 118.960 118.700 -0.434 0.000 3.600 19 N HA 0.503 5.243 4.740 0.001 0.000 0.348 19 N C 0.188 175.636 175.510 -0.103 0.000 1.649 19 N CA -0.044 52.854 53.050 -0.252 0.000 0.710 19 N CB 0.144 38.542 38.487 -0.147 0.000 2.380 19 N HN 0.452 nan 8.380 nan 0.000 0.631 20 A N -1.434 121.368 122.820 -0.030 0.000 2.119 20 A HA 0.119 4.440 4.320 0.001 0.000 0.216 20 A C 1.223 178.815 177.584 0.015 0.000 1.152 20 A CA 1.986 54.031 52.037 0.015 0.000 0.708 20 A CB -1.070 17.939 19.000 0.015 0.000 0.805 20 A HN 0.827 nan 8.150 nan 0.000 0.460 21 T N -5.666 108.897 114.554 0.014 0.000 2.980 21 T HA 0.271 4.622 4.350 0.001 0.000 0.252 21 T C 0.127 174.856 174.700 0.049 0.000 0.962 21 T CA -0.061 62.056 62.100 0.029 0.000 0.932 21 T CB -0.178 68.709 68.868 0.033 0.000 1.188 21 T HN 0.200 nan 8.240 nan 0.000 0.500 22 Y N 0.746 120.996 120.300 -0.083 0.000 2.393 22 Y HA 0.634 5.185 4.550 0.001 0.000 0.341 22 Y C -1.113 174.702 175.900 -0.141 0.000 0.988 22 Y CA -1.565 56.477 58.100 -0.097 0.000 1.078 22 Y CB 1.800 40.199 38.460 -0.101 0.000 1.203 22 Y HN 0.354 nan 8.280 nan 0.000 0.453 23 c N 7.395 125.646 118.600 -0.582 0.000 3.006 23 c HA 0.278 4.848 4.570 0.001 0.000 0.359 23 c C -1.307 172.469 174.090 -0.523 0.000 1.103 23 c CA -0.962 55.140 56.329 -0.378 0.000 1.286 23 c CB 0.343 42.741 42.510 -0.187 0.000 1.694 23 c HN 0.955 nan 8.230 nan 0.000 0.511 24 D N 3.357 123.572 120.400 -0.308 0.000 2.443 24 D HA 0.406 5.047 4.640 0.001 0.000 0.239 24 D C -0.123 175.979 176.300 -0.331 0.000 1.136 24 D CA 0.460 54.296 54.000 -0.273 0.000 0.879 24 D CB 1.250 42.002 40.800 -0.080 0.000 1.195 24 D HN 0.835 nan 8.370 nan 0.000 0.443 25 S N 0.437 115.883 115.700 -0.424 0.000 2.643 25 S HA 0.638 5.109 4.470 0.001 0.000 0.270 25 S C -1.060 173.184 174.600 -0.593 0.000 1.166 25 S CA -1.054 56.852 58.200 -0.490 0.000 0.815 25 S CB 0.797 63.860 63.200 -0.228 0.000 1.139 25 S HN 0.394 nan 8.310 nan 0.000 0.472 26 F N 0.951 120.918 119.950 0.028 0.000 2.483 26 F HA 0.556 5.083 4.527 0.001 0.000 0.329 26 F C 0.646 176.463 175.800 0.029 0.000 1.064 26 F CA -0.783 57.247 58.000 0.049 0.000 0.986 26 F CB 0.739 39.771 39.000 0.054 0.000 1.218 26 F HN 0.474 nan 8.300 nan 0.000 0.484 27 D N 1.246 121.793 120.400 0.246 0.000 2.358 27 D HA 0.203 4.844 4.640 0.001 0.000 0.244 27 D C -2.351 174.025 176.300 0.128 0.000 1.163 27 D CA -1.291 52.793 54.000 0.140 0.000 0.945 27 D CB 0.247 41.114 40.800 0.112 0.000 1.152 27 D HN 0.082 nan 8.370 nan 0.000 0.451 28 P HA 0.069 nan 4.420 nan 0.000 0.260 28 P C -2.339 174.970 177.300 0.014 0.000 1.172 28 P CA -0.515 62.606 63.100 0.035 0.000 0.760 28 P CB -0.254 31.462 31.700 0.027 0.000 0.773 29 P HA 0.295 nan 4.420 nan 0.000 0.276 29 P C -0.698 176.470 177.300 -0.220 0.000 1.252 29 P CA -0.048 63.024 63.100 -0.047 0.000 0.802 29 P CB 0.793 32.476 31.700 -0.030 0.000 1.035 30 T N 1.105 115.549 114.554 -0.182 0.000 3.032 30 T HA 0.532 4.883 4.350 0.001 0.000 0.312 30 T C -1.172 173.529 174.700 0.001 0.000 1.078 30 T CA -0.265 61.741 62.100 -0.156 0.000 1.028 30 T CB 0.237 69.120 68.868 0.025 0.000 1.091 30 T HN 0.120 nan 8.240 nan 0.000 0.457 31 F N 2.693 122.699 119.950 0.093 0.000 2.411 31 F HA 0.653 5.181 4.527 0.001 0.000 0.352 31 F C -2.121 173.761 175.800 0.136 0.000 1.123 31 F CA -4.158 53.879 58.000 0.062 0.000 1.044 31 F CB -0.624 38.331 39.000 -0.075 0.000 1.135 31 F HN 0.184 nan 8.300 nan 0.000 0.461 32 P HA 0.286 nan 4.420 nan 0.000 0.274 32 P C -0.235 177.231 177.300 0.277 0.000 1.237 32 P CA -0.350 62.882 63.100 0.220 0.000 0.793 32 P CB 0.843 32.611 31.700 0.114 0.000 0.977 33 A N 2.027 124.949 122.820 0.169 0.000 2.639 33 A HA -0.077 4.244 4.320 0.001 0.000 0.229 33 A C 0.464 178.137 177.584 0.149 0.000 1.062 33 A CA -0.164 51.944 52.037 0.118 0.000 0.761 33 A CB -0.643 18.392 19.000 0.058 0.000 0.988 33 A HN 0.658 nan 8.150 nan 0.000 0.510 34 L N 1.745 123.037 121.223 0.114 0.000 2.615 34 L HA 0.338 4.679 4.340 0.001 0.000 0.284 34 L C 1.456 178.374 176.870 0.080 0.000 1.237 34 L CA 2.314 57.225 54.840 0.117 0.000 0.905 34 L CB -0.072 42.026 42.059 0.066 0.000 1.149 34 L HN 1.767 nan 8.230 nan 0.000 0.499 35 G N 2.012 110.856 108.800 0.073 0.000 2.213 35 G HA2 -0.230 3.730 3.960 0.001 0.000 0.236 35 G HA3 -0.230 3.730 3.960 0.001 0.000 0.236 35 G C 0.375 175.300 174.900 0.042 0.000 0.991 35 G CA 0.150 45.271 45.100 0.034 0.000 0.629 35 G HN 0.842 nan 8.290 nan 0.000 0.517 36 T N 1.163 115.758 114.554 0.068 0.000 2.856 36 T HA 0.663 5.013 4.350 0.001 0.000 0.283 36 T C -0.530 174.245 174.700 0.126 0.000 1.008 36 T CA -0.031 62.079 62.100 0.018 0.000 0.997 36 T CB 1.775 70.626 68.868 -0.028 0.000 0.992 36 T HN 0.968 nan 8.240 nan 0.000 0.454 37 F N -0.376 119.626 119.950 0.086 0.000 2.561 37 F HA 0.867 5.394 4.527 0.001 0.000 0.321 37 F C -0.268 175.605 175.800 0.122 0.000 1.065 37 F CA -1.133 56.969 58.000 0.170 0.000 0.934 37 F CB 1.153 40.258 39.000 0.175 0.000 1.215 37 F HN 0.354 nan 8.300 nan 0.000 0.471 38 S N 2.718 118.595 115.700 0.294 0.000 2.541 38 S HA 0.601 5.071 4.470 0.001 0.000 0.283 38 S C -0.762 174.000 174.600 0.270 0.000 1.196 38 S CA -0.828 57.448 58.200 0.126 0.000 1.062 38 S CB 1.153 64.375 63.200 0.038 0.000 1.009 38 S HN 0.731 nan 8.310 nan 0.000 0.502 39 R N 2.295 122.802 120.500 0.013 0.000 2.514 39 R HA 0.315 4.655 4.340 0.001 0.000 0.296 39 R C -2.239 173.851 176.300 -0.350 0.000 1.012 39 R CA -0.411 55.574 56.100 -0.192 0.000 0.897 39 R CB 0.764 31.020 30.300 -0.073 0.000 1.184 39 R HN 0.672 nan 8.270 nan 0.000 0.440 40 Y N 1.813 121.914 120.300 -0.332 0.000 2.335 40 Y HA 0.355 4.906 4.550 0.001 0.000 0.338 40 Y C 0.249 176.119 175.900 -0.050 0.000 0.977 40 Y CA -0.478 57.534 58.100 -0.146 0.000 1.114 40 Y CB 1.878 40.261 38.460 -0.128 0.000 1.182 40 Y HN 0.526 nan 8.280 nan 0.000 0.463 41 E N 1.788 122.061 120.200 0.121 0.000 2.222 41 E HA 0.729 5.080 4.350 0.001 0.000 0.267 41 E C -1.408 175.345 176.600 0.254 0.000 0.884 41 E CA -0.570 55.869 56.400 0.065 0.000 0.764 41 E CB 1.244 30.870 29.700 -0.124 0.000 1.169 41 E HN 0.607 nan 8.360 nan 0.000 0.413 42 S N 1.586 117.449 115.700 0.272 0.000 2.541 42 S HA 0.609 5.080 4.470 0.001 0.000 0.280 42 S C -1.228 173.559 174.600 0.312 0.000 1.112 42 S CA -0.832 57.555 58.200 0.312 0.000 0.925 42 S CB 1.875 65.339 63.200 0.440 0.000 1.067 42 S HN 0.644 nan 8.310 nan 0.000 0.479 43 T N -1.016 113.606 114.554 0.112 0.000 2.956 43 T HA 0.490 4.841 4.350 0.001 0.000 0.312 43 T C 0.695 174.893 174.700 -0.838 0.000 1.151 43 T CA -0.927 61.030 62.100 -0.237 0.000 1.024 43 T CB 1.770 70.578 68.868 -0.101 0.000 1.140 43 T HN 0.418 nan 8.240 nan 0.000 0.473 44 R N 1.475 121.024 120.500 -1.586 0.000 2.115 44 R HA -0.182 4.158 4.340 0.001 0.000 0.239 44 R C 2.454 178.426 176.300 -0.546 0.000 1.133 44 R CA 2.638 57.877 56.100 -1.436 0.000 0.935 44 R CB -0.993 28.552 30.300 -1.258 0.000 0.853 44 R HN 0.914 nan 8.270 nan 0.000 0.433 45 S N -1.566 113.927 115.700 -0.344 0.000 2.461 45 S HA -0.113 4.358 4.470 0.001 0.000 0.246 45 S C 1.375 175.901 174.600 -0.122 0.000 1.007 45 S CA 1.561 59.659 58.200 -0.171 0.000 0.976 45 S CB -0.040 63.096 63.200 -0.106 0.000 0.763 45 S HN 0.675 nan 8.310 nan 0.000 0.508 46 G N 0.031 108.749 108.800 -0.136 0.000 2.613 46 G HA2 -0.083 3.877 3.960 0.001 0.000 0.199 46 G HA3 -0.083 3.877 3.960 0.001 0.000 0.199 46 G C 0.011 174.890 174.900 -0.034 0.000 0.991 46 G CA -0.553 44.510 45.100 -0.061 0.000 0.756 46 G HN 0.488 nan 8.290 nan 0.000 0.515 47 R N 0.674 121.157 120.500 -0.028 0.000 2.491 47 R HA 0.556 4.896 4.340 0.001 0.000 0.283 47 R C -0.271 176.054 176.300 0.042 0.000 1.072 47 R CA -0.035 56.074 56.100 0.015 0.000 1.048 47 R CB 0.441 30.763 30.300 0.035 0.000 0.983 47 R HN -0.027 nan 8.270 nan 0.000 0.450 48 R N 4.091 124.608 120.500 0.027 0.000 2.576 48 R HA 0.178 4.519 4.340 0.001 0.000 0.283 48 R C -0.239 176.154 176.300 0.155 0.000 1.493 48 R CA -0.423 55.652 56.100 -0.042 0.000 1.170 48 R CB 0.963 31.050 30.300 -0.354 0.000 1.189 48 R HN 0.798 nan 8.270 nan 0.000 0.542 49 M N 0.231 120.029 119.600 0.329 0.000 2.253 49 M HA -0.235 4.245 4.480 0.001 0.000 0.195 49 M C -0.523 176.043 176.300 0.445 0.000 0.512 49 M CA 1.055 56.628 55.300 0.455 0.000 0.442 49 M CB -1.415 31.505 32.600 0.534 0.000 1.189 49 M HN 0.393 nan 8.290 nan 0.000 0.923 50 E N 1.192 121.537 120.200 0.242 0.000 2.290 50 E HA 0.413 4.764 4.350 0.001 0.000 0.277 50 E C -0.225 176.354 176.600 -0.035 0.000 1.035 50 E CA -0.452 56.015 56.400 0.111 0.000 0.873 50 E CB 0.929 30.660 29.700 0.051 0.000 1.029 50 E HN 0.342 nan 8.360 nan 0.000 0.419 51 L N 3.731 124.860 121.223 -0.156 0.000 2.326 51 L HA 0.414 4.754 4.340 0.001 0.000 0.278 51 L C -0.583 176.116 176.870 -0.285 0.000 1.092 51 L CA 0.392 54.940 54.840 -0.485 0.000 0.810 51 L CB 0.977 42.733 42.059 -0.504 0.000 1.153 51 L HN 0.544 nan 8.230 nan 0.000 0.439 52 S N 4.844 120.362 115.700 -0.303 0.000 2.565 52 S HA 0.753 5.224 4.470 0.001 0.000 0.269 52 S C -0.912 173.562 174.600 -0.209 0.000 1.153 52 S CA -1.027 57.061 58.200 -0.187 0.000 0.835 52 S CB 1.139 64.274 63.200 -0.109 0.000 1.122 52 S HN 0.660 nan 8.310 nan 0.000 0.462 53 M N 1.333 120.791 119.600 -0.237 0.000 2.662 53 M HA 0.805 5.285 4.480 0.001 0.000 0.310 53 M C 0.308 176.275 176.300 -0.556 0.000 1.204 53 M CA -0.541 54.510 55.300 -0.414 0.000 0.891 53 M CB 2.379 34.807 32.600 -0.286 0.000 1.732 53 M HN 1.089 nan 8.290 nan 0.000 0.467 54 G N 0.807 108.923 108.800 -1.141 0.000 2.663 54 G HA2 0.790 4.750 3.960 0.001 0.000 0.299 54 G HA3 0.790 4.750 3.960 0.001 0.000 0.299 54 G C -3.383 171.149 174.900 -0.613 0.000 1.372 54 G CA -0.946 43.666 45.100 -0.812 0.000 0.781 54 G HN 0.338 nan 8.290 nan 0.000 0.491 55 P HA 0.516 nan 4.420 nan 0.000 0.292 55 P C -0.511 176.928 177.300 0.230 0.000 1.283 55 P CA -0.539 62.594 63.100 0.057 0.000 0.835 55 P CB 1.630 33.361 31.700 0.051 0.000 1.017 56 I N 2.881 123.530 120.570 0.133 0.000 2.347 56 I HA 0.207 4.378 4.170 0.001 0.000 0.283 56 I C 0.244 176.370 176.117 0.015 0.000 1.058 56 I CA -0.615 60.699 61.300 0.025 0.000 1.202 56 I CB 0.534 38.449 38.000 -0.141 0.000 1.386 56 I HN 0.293 nan 8.210 nan 0.000 0.475 57 Q N 4.717 124.554 119.800 0.061 0.000 2.252 57 Q HA 0.700 5.040 4.340 0.001 0.000 0.256 57 Q C 0.458 176.540 176.000 0.137 0.000 1.020 57 Q CA -0.856 54.992 55.803 0.074 0.000 0.913 57 Q CB 1.145 29.923 28.738 0.067 0.000 1.286 57 Q HN 0.487 nan 8.270 nan 0.000 0.480 58 A N 0.098 122.996 122.820 0.129 0.000 2.044 58 A HA 0.144 4.464 4.320 0.001 0.000 0.213 58 A C 0.011 177.745 177.584 0.250 0.000 1.169 58 A CA 0.255 52.400 52.037 0.180 0.000 0.724 58 A CB -0.502 18.559 19.000 0.101 0.000 0.840 58 A HN 0.743 nan 8.150 nan 0.000 0.463 59 N N -0.450 118.328 118.700 0.130 0.000 2.463 59 N HA 0.371 5.111 4.740 0.001 0.000 0.270 59 N C -0.499 174.964 175.510 -0.079 0.000 1.205 59 N CA -0.337 52.728 53.050 0.025 0.000 0.974 59 N CB 0.479 38.960 38.487 -0.011 0.000 1.197 59 N HN 0.450 nan 8.380 nan 0.000 0.504 60 H N -0.157 118.647 119.070 -0.444 0.000 2.991 60 H HA 0.194 4.751 4.556 0.001 0.000 0.304 60 H C -0.769 174.325 175.328 -0.390 0.000 1.040 60 H CA -0.635 54.978 56.048 -0.725 0.000 1.410 60 H CB 0.650 29.421 29.762 -1.652 0.000 1.529 60 H HN 0.750 nan 8.280 nan 0.000 0.509 61 T N 1.393 115.770 114.554 -0.293 0.000 3.215 61 T HA 0.271 4.621 4.350 0.001 0.000 0.271 61 T C 1.023 175.561 174.700 -0.270 0.000 1.012 61 T CA -0.259 61.656 62.100 -0.309 0.000 0.899 61 T CB 0.384 69.158 68.868 -0.157 0.000 1.089 61 T HN 0.548 nan 8.240 nan 0.000 0.552 62 G N 1.078 109.710 108.800 -0.279 0.000 2.467 62 G HA2 0.434 4.395 3.960 0.001 0.000 0.257 62 G HA3 0.434 4.395 3.960 0.001 0.000 0.257 62 G C 0.652 175.406 174.900 -0.243 0.000 1.227 62 G CA -0.059 44.985 45.100 -0.094 0.000 0.835 62 G HN 0.399 nan 8.290 nan 0.000 0.556 63 T N -1.118 113.372 114.554 -0.106 0.000 3.144 63 T HA 0.431 4.781 4.350 0.001 0.000 0.290 63 T C 1.051 175.734 174.700 -0.028 0.000 0.966 63 T CA 0.499 62.538 62.100 -0.102 0.000 0.907 63 T CB 0.573 69.376 68.868 -0.108 0.000 1.152 63 T HN 0.745 nan 8.240 nan 0.000 0.532 64 G N 1.685 110.489 108.800 0.006 0.000 3.134 64 G HA2 0.585 4.545 3.960 0.001 0.000 0.158 64 G HA3 0.585 4.545 3.960 0.001 0.000 0.158 64 G C -0.596 174.324 174.900 0.034 0.000 1.334 64 G CA -0.906 44.202 45.100 0.014 0.000 1.001 64 G HN 0.366 nan 8.290 nan 0.000 0.600 65 L N 0.399 121.637 121.223 0.026 0.000 2.513 65 L HA 0.437 4.778 4.340 0.001 0.000 0.272 65 L C -0.409 176.482 176.870 0.035 0.000 1.187 65 L CA -0.250 54.606 54.840 0.027 0.000 0.895 65 L CB 0.678 42.744 42.059 0.013 0.000 1.147 65 L HN 0.274 nan 8.230 nan 0.000 0.483 66 L N 6.425 127.671 121.223 0.038 0.000 2.329 66 L HA 0.587 4.928 4.340 0.001 0.000 0.279 66 L C -1.204 175.668 176.870 0.003 0.000 1.014 66 L CA -0.218 54.634 54.840 0.020 0.000 0.814 66 L CB 1.410 43.492 42.059 0.039 0.000 1.257 66 L HN 0.532 nan 8.230 nan 0.000 0.424 67 L N 4.623 125.833 121.223 -0.022 0.000 2.333 67 L HA 0.588 4.928 4.340 0.001 0.000 0.280 67 L C -0.485 176.368 176.870 -0.028 0.000 1.004 67 L CA -0.443 54.388 54.840 -0.016 0.000 0.820 67 L CB 1.951 44.000 42.059 -0.017 0.000 1.247 67 L HN 0.567 nan 8.230 nan 0.000 0.416 68 T N 3.597 118.146 114.554 -0.008 0.000 2.792 68 T HA 0.414 4.764 4.350 0.001 0.000 0.280 68 T C -0.369 174.341 174.700 0.018 0.000 0.990 68 T CA -0.467 61.621 62.100 -0.020 0.000 0.960 68 T CB 1.845 70.702 68.868 -0.018 0.000 0.939 68 T HN 0.246 nan 8.240 nan 0.000 0.439 69 L N 3.409 124.654 121.223 0.037 0.000 2.416 69 L HA 0.308 4.649 4.340 0.001 0.000 0.272 69 L C -0.015 176.887 176.870 0.054 0.000 1.161 69 L CA 0.593 55.485 54.840 0.086 0.000 0.845 69 L CB 0.438 42.603 42.059 0.177 0.000 1.119 69 L HN 0.513 nan 8.230 nan 0.000 0.464 70 Q N 6.024 125.860 119.800 0.060 0.000 3.064 70 Q HA 0.269 4.609 4.340 0.001 0.000 0.258 70 Q C -2.025 173.993 176.000 0.030 0.000 0.972 70 Q CA -1.450 54.377 55.803 0.040 0.000 0.761 70 Q CB 1.299 30.066 28.738 0.049 0.000 1.281 70 Q HN 0.527 nan 8.270 nan 0.000 0.455 71 P HA -0.136 nan 4.420 nan 0.000 0.220 71 P C 0.950 178.239 177.300 -0.019 0.000 1.148 71 P CA 1.022 64.128 63.100 0.011 0.000 0.803 71 P CB 0.587 32.297 31.700 0.016 0.000 0.782 72 E N -0.263 119.923 120.200 -0.024 0.000 2.268 72 E HA -0.089 4.261 4.350 0.001 0.000 0.195 72 E C 0.761 177.301 176.600 -0.099 0.000 0.995 72 E CA 0.691 57.064 56.400 -0.046 0.000 0.836 72 E CB -0.522 29.161 29.700 -0.029 0.000 0.763 72 E HN 0.505 nan 8.360 nan 0.000 0.491 73 Q N 1.193 120.918 119.800 -0.123 0.000 2.323 73 Q HA 0.201 4.541 4.340 0.001 0.000 0.257 73 Q C -0.441 175.250 176.000 -0.515 0.000 1.022 73 Q CA 0.348 55.975 55.803 -0.294 0.000 0.919 73 Q CB 0.713 29.332 28.738 -0.199 0.000 1.220 73 Q HN -0.092 nan 8.270 nan 0.000 0.427 74 K N 2.751 122.776 120.400 -0.625 0.000 2.345 74 K HA 0.457 4.778 4.320 0.001 0.000 0.255 74 K C -0.886 175.339 176.600 -0.625 0.000 0.934 74 K CA -0.326 55.681 56.287 -0.467 0.000 0.801 74 K CB 1.289 33.682 32.500 -0.178 0.000 1.137 74 K HN 0.332 nan 8.250 nan 0.000 0.424 75 F N 0.311 120.296 119.950 0.058 0.000 3.084 75 F HA 0.200 4.728 4.527 0.001 0.000 0.232 75 F C 0.835 176.684 175.800 0.082 0.000 1.511 75 F CA -0.770 57.276 58.000 0.077 0.000 0.942 75 F CB -0.083 38.952 39.000 0.058 0.000 1.935 75 F HN 0.358 nan 8.300 nan 0.000 0.403 76 Q N 2.016 122.011 119.800 0.325 0.000 2.354 76 Q HA 0.262 4.602 4.340 0.001 0.000 0.244 76 Q C -1.317 174.780 176.000 0.162 0.000 0.969 76 Q CA -0.356 55.567 55.803 0.200 0.000 0.885 76 Q CB 1.364 30.203 28.738 0.169 0.000 1.241 76 Q HN 0.349 nan 8.270 nan 0.000 0.461 77 K N 0.750 121.226 120.400 0.127 0.000 2.144 77 K HA 0.363 4.684 4.320 0.001 0.000 0.270 77 K C -0.929 175.728 176.600 0.095 0.000 1.005 77 K CA -0.463 55.888 56.287 0.106 0.000 0.932 77 K CB 1.536 34.090 32.500 0.089 0.000 1.021 77 K HN 0.474 nan 8.250 nan 0.000 0.462 78 V N 4.358 124.324 119.914 0.086 0.000 2.406 78 V HA 0.095 4.215 4.120 0.001 0.000 0.272 78 V C 1.101 177.195 176.094 -0.000 0.000 1.043 78 V CA -0.294 62.040 62.300 0.056 0.000 0.915 78 V CB 1.263 33.156 31.823 0.116 0.000 0.988 78 V HN 0.710 nan 8.190 nan 0.000 0.466 79 K N 4.001 124.369 120.400 -0.054 0.000 2.076 79 K HA 0.298 4.618 4.320 0.001 0.000 0.204 79 K C 0.785 177.278 176.600 -0.178 0.000 1.051 79 K CA 1.490 57.697 56.287 -0.133 0.000 0.949 79 K CB -0.118 32.300 32.500 -0.137 0.000 0.726 79 K HN 1.040 nan 8.250 nan 0.000 0.443 80 G N -2.114 106.541 108.800 -0.241 0.000 2.302 80 G HA2 0.144 4.105 3.960 0.001 0.000 0.276 80 G HA3 0.144 4.105 3.960 0.001 0.000 0.276 80 G C -1.473 173.126 174.900 -0.501 0.000 1.316 80 G CA -0.727 44.243 45.100 -0.217 0.000 0.988 80 G HN 0.023 nan 8.290 nan 0.000 0.479 81 F N 0.230 120.128 119.950 -0.088 0.000 2.576 81 F HA 0.853 5.381 4.527 0.001 0.000 0.313 81 F C 0.840 176.316 175.800 -0.539 0.000 1.078 81 F CA 0.445 58.313 58.000 -0.219 0.000 0.921 81 F CB 2.378 41.270 39.000 -0.179 0.000 1.232 81 F HN 1.239 nan 8.300 nan 0.000 0.459 82 G N -0.129 108.299 108.800 -0.619 0.000 2.494 82 G HA2 0.617 4.577 3.960 0.001 0.000 0.308 82 G HA3 0.617 4.577 3.960 0.001 0.000 0.308 82 G C -1.385 173.139 174.900 -0.626 0.000 1.263 82 G CA -0.117 44.418 45.100 -0.943 0.000 0.840 82 G HN 1.021 nan 8.290 nan 0.000 0.479 83 G N -1.725 106.925 108.800 -0.251 0.000 2.721 83 G HA2 0.789 4.750 3.960 0.001 0.000 0.296 83 G HA3 0.789 4.750 3.960 0.001 0.000 0.296 83 G C -1.023 173.915 174.900 0.064 0.000 1.383 83 G CA 0.406 45.474 45.100 -0.054 0.000 0.788 83 G HN 1.690 nan 8.290 nan 0.000 0.500 84 A N -0.256 122.636 122.820 0.120 0.000 2.290 84 A HA 0.620 4.940 4.320 0.001 0.000 0.310 84 A C 0.004 177.621 177.584 0.056 0.000 1.202 84 A CA -0.575 51.567 52.037 0.174 0.000 0.837 84 A CB 1.175 20.424 19.000 0.416 0.000 1.139 84 A HN 0.693 nan 8.150 nan 0.000 0.509 85 M N 3.841 123.500 119.600 0.097 0.000 3.654 85 M HA 0.168 4.649 4.480 0.001 0.000 0.212 85 M C 0.808 177.130 176.300 0.035 0.000 1.354 85 M CA -0.186 55.151 55.300 0.062 0.000 1.564 85 M CB -1.092 31.568 32.600 0.100 0.000 1.056 85 M HN 0.785 nan 8.290 nan 0.000 0.608 86 T N -2.180 112.326 114.554 -0.080 0.000 2.734 86 T HA 0.087 4.437 4.350 0.001 0.000 0.314 86 T C 0.906 175.570 174.700 -0.061 0.000 1.057 86 T CA -0.349 61.666 62.100 -0.140 0.000 1.047 86 T CB 0.569 69.192 68.868 -0.408 0.000 0.991 86 T HN 0.442 nan 8.240 nan 0.000 0.540 87 D N 1.057 121.442 120.400 -0.024 0.000 2.123 87 D HA -0.096 4.545 4.640 0.001 0.000 0.196 87 D C 2.360 178.661 176.300 0.003 0.000 0.992 87 D CA 1.855 55.871 54.000 0.027 0.000 0.833 87 D CB -0.866 39.980 40.800 0.076 0.000 0.954 87 D HN 0.754 nan 8.370 nan 0.000 0.455 88 A N 0.703 123.516 122.820 -0.012 0.000 1.930 88 A HA 0.009 4.329 4.320 0.001 0.000 0.217 88 A C 2.271 179.830 177.584 -0.040 0.000 1.175 88 A CA 2.079 54.118 52.037 0.004 0.000 0.627 88 A CB -0.567 18.489 19.000 0.093 0.000 0.815 88 A HN 0.242 nan 8.150 nan 0.000 0.443 89 A N -0.297 122.465 122.820 -0.096 0.000 1.929 89 A HA 0.288 4.609 4.320 0.001 0.000 0.216 89 A C 2.442 180.007 177.584 -0.031 0.000 1.176 89 A CA 1.639 53.629 52.037 -0.079 0.000 0.628 89 A CB -0.839 18.094 19.000 -0.111 0.000 0.816 89 A HN 0.962 nan 8.150 nan 0.000 0.444 90 A N -0.042 122.767 122.820 -0.017 0.000 1.933 90 A HA -0.024 4.297 4.320 0.001 0.000 0.218 90 A C 2.136 179.717 177.584 -0.005 0.000 1.175 90 A CA 1.403 53.438 52.037 -0.003 0.000 0.628 90 A CB -0.564 18.442 19.000 0.009 0.000 0.814 90 A HN 0.470 nan 8.150 nan 0.000 0.444 91 L N -0.328 120.893 121.223 -0.003 0.000 2.017 91 L HA -0.211 4.129 4.340 0.001 0.000 0.208 91 L C 2.412 179.280 176.870 -0.003 0.000 1.073 91 L CA 1.368 56.208 54.840 -0.000 0.000 0.745 91 L CB -0.679 41.384 42.059 0.007 0.000 0.894 91 L HN 0.405 nan 8.230 nan 0.000 0.432 92 N N 0.275 118.971 118.700 -0.007 0.000 2.120 92 N HA -0.134 4.607 4.740 0.001 0.000 0.188 92 N C 1.919 177.416 175.510 -0.022 0.000 1.024 92 N CA 1.415 54.460 53.050 -0.008 0.000 0.852 92 N CB -0.105 38.374 38.487 -0.012 0.000 1.003 92 N HN 0.344 nan 8.380 nan 0.000 0.424 93 I N 1.018 121.568 120.570 -0.033 0.000 2.252 93 I HA -0.182 3.988 4.170 0.001 0.000 0.245 93 I C 1.785 177.883 176.117 -0.031 0.000 1.102 93 I CA 0.750 62.018 61.300 -0.053 0.000 1.385 93 I CB -0.157 37.817 38.000 -0.043 0.000 1.064 93 I HN 0.011 nan 8.210 nan 0.000 0.414 94 L N 0.657 121.871 121.223 -0.016 0.000 2.622 94 L HA -0.033 4.307 4.340 0.001 0.000 0.233 94 L C 1.940 178.809 176.870 -0.002 0.000 1.156 94 L CA 0.182 55.017 54.840 -0.008 0.000 0.866 94 L CB -0.368 41.688 42.059 -0.005 0.000 0.980 94 L HN 0.207 nan 8.230 nan 0.000 0.448 95 A N -0.513 122.307 122.820 0.000 0.000 2.423 95 A HA 0.393 4.714 4.320 0.001 0.000 0.246 95 A C 0.521 178.114 177.584 0.015 0.000 1.278 95 A CA -0.233 51.809 52.037 0.008 0.000 0.903 95 A CB 0.026 19.033 19.000 0.011 0.000 0.997 95 A HN 0.219 nan 8.150 nan 0.000 0.510 96 L N 0.704 121.936 121.223 0.015 0.000 2.352 96 L HA 0.380 4.720 4.340 0.001 0.000 0.269 96 L C 0.702 177.587 176.870 0.025 0.000 1.034 96 L CA -0.767 54.092 54.840 0.032 0.000 0.806 96 L CB 1.820 43.908 42.059 0.047 0.000 1.244 96 L HN 0.309 nan 8.230 nan 0.000 0.447 97 S N 0.655 116.374 115.700 0.031 0.000 2.573 97 S HA 0.127 4.598 4.470 0.001 0.000 0.277 97 S C -1.991 172.624 174.600 0.024 0.000 1.346 97 S CA -1.000 57.214 58.200 0.023 0.000 1.034 97 S CB 0.490 63.703 63.200 0.022 0.000 0.879 97 S HN 0.421 nan 8.310 nan 0.000 0.528 98 P HA -0.089 nan 4.420 nan 0.000 0.216 98 P C -1.502 175.812 177.300 0.023 0.000 1.157 98 P CA 1.501 64.611 63.100 0.016 0.000 0.880 98 P CB -1.218 30.488 31.700 0.011 0.000 0.791 99 P HA -0.142 nan 4.420 nan 0.000 0.216 99 P C 1.410 178.744 177.300 0.057 0.000 1.150 99 P CA 1.958 65.077 63.100 0.032 0.000 0.837 99 P CB -0.657 31.058 31.700 0.025 0.000 0.786 100 A N -0.296 122.570 122.820 0.078 0.000 1.930 100 A HA -0.252 4.068 4.320 0.001 0.000 0.217 100 A C 2.223 179.884 177.584 0.129 0.000 1.175 100 A CA 1.455 53.591 52.037 0.165 0.000 0.627 100 A CB -1.264 17.853 19.000 0.195 0.000 0.815 100 A HN 0.192 nan 8.150 nan 0.000 0.443 101 Q N -0.014 119.809 119.800 0.038 0.000 2.077 101 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 101 Q C 1.704 177.692 176.000 -0.019 0.000 0.989 101 Q CA 1.631 57.421 55.803 -0.023 0.000 0.853 101 Q CB -0.333 28.399 28.738 -0.011 0.000 0.907 101 Q HN 0.678 nan 8.270 nan 0.000 0.418 102 N N 0.409 119.119 118.700 0.017 0.000 2.331 102 N HA -0.068 4.672 4.740 0.001 0.000 0.180 102 N C 1.851 177.379 175.510 0.031 0.000 1.019 102 N CA 0.815 53.878 53.050 0.022 0.000 0.881 102 N CB 0.007 38.507 38.487 0.023 0.000 0.972 102 N HN 0.261 nan 8.380 nan 0.000 0.435 103 L N 0.692 121.951 121.223 0.061 0.000 2.141 103 L HA -0.061 4.280 4.340 0.001 0.000 0.209 103 L C 2.410 179.321 176.870 0.069 0.000 1.094 103 L CA 0.496 55.398 54.840 0.103 0.000 0.763 103 L CB -0.330 41.840 42.059 0.185 0.000 0.908 103 L HN 0.113 nan 8.230 nan 0.000 0.437 104 L N -0.197 120.932 121.223 -0.156 0.000 2.005 104 L HA -0.219 4.121 4.340 0.001 0.000 0.207 104 L C 2.498 179.252 176.870 -0.194 0.000 1.072 104 L CA 1.404 55.908 54.840 -0.560 0.000 0.744 104 L CB -0.090 41.441 42.059 -0.880 0.000 0.895 104 L HN 0.140 nan 8.230 nan 0.000 0.433 105 L N -0.402 120.809 121.223 -0.019 0.000 2.017 105 L HA -0.270 4.071 4.340 0.001 0.000 0.208 105 L C 2.620 179.612 176.870 0.203 0.000 1.073 105 L CA 1.576 56.527 54.840 0.186 0.000 0.745 105 L CB -0.630 41.517 42.059 0.146 0.000 0.894 105 L HN 0.197 nan 8.230 nan 0.000 0.432 106 K N -0.373 120.086 120.400 0.099 0.000 2.113 106 K HA -0.177 4.143 4.320 0.001 0.000 0.208 106 K C 2.373 179.009 176.600 0.060 0.000 1.047 106 K CA 1.563 57.903 56.287 0.087 0.000 0.928 106 K CB -0.212 32.316 32.500 0.046 0.000 0.716 106 K HN 0.113 nan 8.250 nan 0.000 0.446 107 S N -0.229 115.462 115.700 -0.014 0.000 2.374 107 S HA -0.166 4.305 4.470 0.001 0.000 0.227 107 S C 1.717 176.312 174.600 -0.008 0.000 1.037 107 S CA 1.366 59.529 58.200 -0.062 0.000 1.024 107 S CB -0.197 62.817 63.200 -0.309 0.000 0.861 107 S HN 0.346 nan 8.310 nan 0.000 0.456 108 Y N -1.455 118.764 120.300 -0.136 0.000 2.262 108 Y HA 0.125 4.675 4.550 0.001 0.000 0.295 108 Y C 1.744 177.252 175.900 -0.654 0.000 1.121 108 Y CA 0.614 58.325 58.100 -0.649 0.000 1.144 108 Y CB 0.031 37.907 38.460 -0.973 0.000 1.043 108 Y HN 0.216 nan 8.280 nan 0.000 0.528 109 F N -0.901 119.110 119.950 0.101 0.000 2.582 109 F HA 0.060 4.587 4.527 0.001 0.000 0.290 109 F C 1.520 177.355 175.800 0.058 0.000 1.115 109 F CA -0.100 57.957 58.000 0.095 0.000 1.445 109 F CB -0.047 39.012 39.000 0.099 0.000 1.126 109 F HN -0.199 nan 8.300 nan 0.000 0.574 110 S N 0.522 116.343 115.700 0.201 0.000 2.645 110 S HA 0.015 4.486 4.470 0.001 0.000 0.266 110 S C 1.179 175.823 174.600 0.072 0.000 1.258 110 S CA -0.427 57.849 58.200 0.125 0.000 0.990 110 S CB 1.041 64.301 63.200 0.100 0.000 0.967 110 S HN 0.354 nan 8.310 nan 0.000 0.556 111 E N 0.480 120.713 120.200 0.055 0.000 2.502 111 E HA -0.033 4.317 4.350 0.001 0.000 0.194 111 E C 0.942 177.570 176.600 0.047 0.000 1.062 111 E CA 0.601 57.013 56.400 0.020 0.000 0.867 111 E CB -0.163 29.545 29.700 0.014 0.000 0.888 111 E HN 0.846 nan 8.360 nan 0.000 0.510 112 E N 0.152 120.402 120.200 0.084 0.000 2.371 112 E HA 0.052 4.402 4.350 0.001 0.000 0.194 112 E C 1.085 177.826 176.600 0.236 0.000 1.012 112 E CA 0.511 56.993 56.400 0.137 0.000 0.860 112 E CB 0.411 30.154 29.700 0.072 0.000 0.811 112 E HN 0.332 nan 8.360 nan 0.000 0.502 113 G N 1.159 110.058 108.800 0.165 0.000 3.365 113 G HA2 0.254 4.215 3.960 0.001 0.000 0.185 113 G HA3 0.254 4.215 3.960 0.001 0.000 0.185 113 G C 0.833 175.763 174.900 0.049 0.000 1.565 113 G CA -0.222 44.988 45.100 0.183 0.000 0.984 113 G HN 0.197 nan 8.290 nan 0.000 0.604 114 I N -2.642 117.844 120.570 -0.141 0.000 4.009 114 I HA 0.503 4.674 4.170 0.001 0.000 0.331 114 I C 1.094 177.059 176.117 -0.254 0.000 1.462 114 I CA 0.310 61.399 61.300 -0.352 0.000 1.117 114 I CB 0.569 38.229 38.000 -0.567 0.000 1.091 114 I HN 0.747 nan 8.210 nan 0.000 0.410 115 G N 1.686 110.407 108.800 -0.132 0.000 2.323 115 G HA2 -0.322 3.639 3.960 0.001 0.000 0.292 115 G HA3 -0.322 3.639 3.960 0.001 0.000 0.292 115 G C -0.023 174.946 174.900 0.115 0.000 1.040 115 G CA 0.005 45.094 45.100 -0.018 0.000 0.942 115 G HN 0.658 nan 8.290 nan 0.000 0.506 116 Y N -0.001 120.215 120.300 -0.141 0.000 2.805 116 Y HA 0.041 4.591 4.550 0.001 0.000 0.337 116 Y C 1.638 177.593 175.900 0.091 0.000 1.252 116 Y CA 0.537 58.562 58.100 -0.126 0.000 1.515 116 Y CB 0.566 38.697 38.460 -0.547 0.000 1.305 116 Y HN 0.527 nan 8.280 nan 0.000 0.600 117 N N 1.745 120.559 118.700 0.190 0.000 2.167 117 N HA 0.214 4.955 4.740 0.001 0.000 0.234 117 N C -0.992 174.561 175.510 0.072 0.000 1.312 117 N CA 0.064 53.203 53.050 0.149 0.000 0.861 117 N CB 0.240 38.769 38.487 0.070 0.000 1.217 117 N HN 0.430 nan 8.380 nan 0.000 0.504 118 I N 0.734 121.342 120.570 0.064 0.000 2.730 118 I HA 0.513 4.684 4.170 0.001 0.000 0.298 118 I C -0.882 175.310 176.117 0.126 0.000 1.089 118 I CA -0.968 60.364 61.300 0.053 0.000 1.041 118 I CB 2.544 40.557 38.000 0.021 0.000 1.235 118 I HN -0.180 nan 8.210 nan 0.000 0.423 119 I N 4.378 125.035 120.570 0.143 0.000 2.534 119 I HA 0.408 4.579 4.170 0.001 0.000 0.288 119 I C -0.447 175.770 176.117 0.168 0.000 1.077 119 I CA -0.574 60.826 61.300 0.168 0.000 1.051 119 I CB 2.150 40.240 38.000 0.150 0.000 1.234 119 I HN 0.505 nan 8.210 nan 0.000 0.425 120 R N 5.290 125.905 120.500 0.192 0.000 2.297 120 R HA 0.689 5.030 4.340 0.001 0.000 0.308 120 R C -1.458 175.007 176.300 0.275 0.000 1.029 120 R CA -0.419 55.826 56.100 0.241 0.000 0.929 120 R CB 1.477 31.923 30.300 0.243 0.000 1.046 120 R HN 0.444 nan 8.270 nan 0.000 0.461 121 V N 7.213 127.319 119.914 0.321 0.000 2.407 121 V HA 0.329 4.450 4.120 0.001 0.000 0.291 121 V C -2.238 174.040 176.094 0.306 0.000 1.018 121 V CA -2.216 60.280 62.300 0.327 0.000 0.842 121 V CB 1.724 33.799 31.823 0.419 0.000 0.996 121 V HN 0.810 nan 8.190 nan 0.000 0.426 122 P HA 0.256 nan 4.420 nan 0.000 0.271 122 P C -0.380 177.038 177.300 0.196 0.000 1.216 122 P CA -0.113 63.158 63.100 0.285 0.000 0.771 122 P CB 0.399 32.105 31.700 0.010 0.000 0.864 123 M N 3.257 122.889 119.600 0.054 0.000 2.193 123 M HA 0.421 4.901 4.480 0.001 0.000 0.342 123 M C 0.773 177.104 176.300 0.051 0.000 1.413 123 M CA 0.272 55.566 55.300 -0.010 0.000 1.191 123 M CB -0.446 31.884 32.600 -0.449 0.000 1.633 123 M HN 0.584 nan 8.290 nan 0.000 0.458 124 A N 2.164 124.920 122.820 -0.105 0.000 6.226 124 A HA -0.155 4.166 4.320 0.001 0.000 0.254 124 A C 0.320 177.631 177.584 -0.456 0.000 2.160 124 A CA 0.353 52.081 52.037 -0.516 0.000 0.705 124 A CB -1.712 16.803 19.000 -0.809 0.000 1.036 124 A HN 0.950 nan 8.150 nan 0.000 0.366 125 S N -0.450 114.631 115.700 -1.032 0.000 2.592 125 S HA 0.577 5.048 4.470 0.001 0.000 0.271 125 S C 0.615 174.913 174.600 -0.503 0.000 1.326 125 S CA 0.024 57.703 58.200 -0.868 0.000 1.024 125 S CB 0.517 62.963 63.200 -1.256 0.000 0.921 125 S HN 2.407 nan 8.310 nan 0.000 0.527 126 C N 0.507 119.505 119.300 -0.504 0.000 3.459 126 C HA 0.640 5.101 4.460 0.001 0.000 0.358 126 C C 1.482 176.384 174.990 -0.146 0.000 2.992 126 C CA -0.013 58.662 59.018 -0.572 0.000 1.568 126 C CB 0.336 27.167 27.740 -1.516 0.000 3.388 126 C HN 0.891 nan 8.230 nan 0.000 0.515 127 D N 0.367 120.656 120.400 -0.185 0.000 2.269 127 D HA -0.093 4.548 4.640 0.001 0.000 0.208 127 D C 0.894 176.935 176.300 -0.431 0.000 0.963 127 D CA 0.978 54.796 54.000 -0.303 0.000 0.864 127 D CB -0.434 39.812 40.800 -0.923 0.000 0.936 127 D HN 0.576 nan 8.370 nan 0.000 0.505 128 F N 1.650 121.446 119.950 -0.257 0.000 2.726 128 F HA 0.173 4.701 4.527 0.001 0.000 0.296 128 F C 0.845 176.546 175.800 -0.165 0.000 1.250 128 F CA -0.079 57.761 58.000 -0.267 0.000 1.434 128 F CB -0.151 38.544 39.000 -0.509 0.000 1.043 128 F HN -0.230 nan 8.300 nan 0.000 0.508 129 S N 0.379 116.095 115.700 0.027 0.000 2.747 129 S HA 0.458 4.929 4.470 0.001 0.000 0.300 129 S C 1.147 175.813 174.600 0.110 0.000 1.121 129 S CA -0.720 57.521 58.200 0.067 0.000 0.995 129 S CB 1.527 64.747 63.200 0.033 0.000 1.113 129 S HN 0.348 nan 8.310 nan 0.000 0.547 130 I N -1.109 119.511 120.570 0.083 0.000 3.875 130 I HA 0.409 4.580 4.170 0.001 0.000 0.329 130 I C 0.178 176.293 176.117 -0.003 0.000 1.295 130 I CA -0.294 61.048 61.300 0.070 0.000 1.129 130 I CB -0.325 37.703 38.000 0.046 0.000 1.008 130 I HN 0.548 nan 8.210 nan 0.000 0.413 131 R N 0.327 120.767 120.500 -0.100 0.000 2.753 131 R HA 0.360 4.701 4.340 0.001 0.000 0.272 131 R C -1.113 174.988 176.300 -0.333 0.000 1.034 131 R CA -0.456 55.507 56.100 -0.229 0.000 0.869 131 R CB 0.329 30.594 30.300 -0.058 0.000 1.264 131 R HN 0.084 nan 8.270 nan 0.000 0.481 132 T N -0.162 114.116 114.554 -0.459 0.000 2.753 132 T HA 0.591 4.941 4.350 0.001 0.000 0.297 132 T C -0.548 174.025 174.700 -0.212 0.000 0.981 132 T CA -0.543 61.259 62.100 -0.497 0.000 0.956 132 T CB 0.106 68.597 68.868 -0.628 0.000 0.936 132 T HN 0.551 nan 8.240 nan 0.000 0.463 133 Y N 0.273 120.443 120.300 -0.217 0.000 2.581 133 Y HA 0.851 5.402 4.550 0.001 0.000 0.345 133 Y C -0.089 175.703 175.900 -0.179 0.000 1.036 133 Y CA -1.218 56.783 58.100 -0.164 0.000 1.042 133 Y CB 1.254 39.629 38.460 -0.143 0.000 1.289 133 Y HN 0.751 nan 8.280 nan 0.000 0.471 134 T N -2.739 111.807 114.554 -0.013 0.000 2.773 134 T HA 0.386 4.737 4.350 0.001 0.000 0.278 134 T C -0.328 174.393 174.700 0.035 0.000 1.011 134 T CA -0.644 61.408 62.100 -0.079 0.000 1.014 134 T CB 0.853 69.699 68.868 -0.037 0.000 1.293 134 T HN 0.752 nan 8.240 nan 0.000 0.554 135 Y N -0.034 120.392 120.300 0.210 0.000 2.544 135 Y HA 0.495 5.046 4.550 0.001 0.000 0.286 135 Y C 1.504 177.256 175.900 -0.247 0.000 1.141 135 Y CA -0.052 57.901 58.100 -0.246 0.000 1.299 135 Y CB 0.415 38.259 38.460 -1.027 0.000 1.030 135 Y HN 0.801 nan 8.280 nan 0.000 0.543 136 A N -0.216 122.763 122.820 0.265 0.000 3.007 136 A HA 0.274 4.594 4.320 0.001 0.000 0.314 136 A C -0.395 177.443 177.584 0.423 0.000 1.153 136 A CA -0.538 51.705 52.037 0.342 0.000 0.780 136 A CB -0.026 19.284 19.000 0.516 0.000 1.258 136 A HN 0.130 nan 8.150 nan 0.000 0.460 137 D N 0.599 121.178 120.400 0.297 0.000 2.323 137 D HA -0.005 4.636 4.640 0.001 0.000 0.209 137 D C 0.398 176.863 176.300 0.275 0.000 0.973 137 D CA 1.020 55.197 54.000 0.296 0.000 0.874 137 D CB 0.274 41.167 40.800 0.154 0.000 0.930 137 D HN 0.450 nan 8.370 nan 0.000 0.521 138 T N 4.032 118.692 114.554 0.178 0.000 2.751 138 T HA 0.115 4.465 4.350 0.001 0.000 0.279 138 T C -2.306 172.197 174.700 -0.328 0.000 0.941 138 T CA -0.992 61.100 62.100 -0.013 0.000 1.192 138 T CB 0.925 69.799 68.868 0.009 0.000 0.883 138 T HN -0.010 nan 8.240 nan 0.000 0.534 139 P HA 0.107 nan 4.420 nan 0.000 0.269 139 P C -0.048 176.488 177.300 -1.273 0.000 1.217 139 P CA -0.069 62.231 63.100 -1.334 0.000 0.783 139 P CB 0.259 31.609 31.700 -0.584 0.000 0.898 140 D N -0.259 119.092 120.400 -1.748 0.000 2.737 140 D HA -0.186 4.454 4.640 0.001 0.000 0.238 140 D C -0.377 175.498 176.300 -0.709 0.000 1.157 140 D CA 1.157 54.536 54.000 -1.036 0.000 0.694 140 D CB -1.656 38.941 40.800 -0.338 0.000 1.021 140 D HN 0.388 nan 8.370 nan 0.000 0.420 141 D N -0.775 119.100 120.400 -0.875 0.000 2.886 141 D HA 0.181 4.821 4.640 0.001 0.000 0.355 141 D C 0.751 177.115 176.300 0.106 0.000 1.274 141 D CA -0.589 53.304 54.000 -0.179 0.000 0.836 141 D CB -0.520 40.274 40.800 -0.011 0.000 1.109 141 D HN 0.134 nan 8.370 nan 0.000 0.488 142 F N 0.275 120.349 119.950 0.207 0.000 2.494 142 F HA -0.069 4.458 4.527 0.001 0.000 0.298 142 F C 2.186 178.082 175.800 0.160 0.000 1.106 142 F CA 0.804 58.966 58.000 0.270 0.000 1.452 142 F CB 0.344 39.434 39.000 0.150 0.000 1.085 142 F HN 0.161 nan 8.300 nan 0.000 0.569 143 Q N -0.167 119.738 119.800 0.175 0.000 2.282 143 Q HA 0.216 4.556 4.340 0.001 0.000 0.206 143 Q C 0.758 176.653 176.000 -0.176 0.000 0.878 143 Q CA 0.064 55.823 55.803 -0.072 0.000 0.944 143 Q CB 0.301 28.870 28.738 -0.282 0.000 1.100 143 Q HN 0.449 nan 8.270 nan 0.000 0.509 144 L N 1.192 122.453 121.223 0.063 0.000 3.713 144 L HA -0.286 4.055 4.340 0.001 0.000 0.499 144 L C 0.563 177.516 176.870 0.139 0.000 1.281 144 L CA 0.149 55.119 54.840 0.217 0.000 0.796 144 L CB -1.943 40.307 42.059 0.319 0.000 1.535 144 L HN 0.387 nan 8.230 nan 0.000 0.851 145 H N -1.075 118.119 119.070 0.207 0.000 2.512 145 H HA 0.037 4.593 4.556 0.001 0.000 0.279 145 H C 1.718 177.149 175.328 0.171 0.000 0.999 145 H CA 1.006 57.149 56.048 0.158 0.000 1.283 145 H CB 0.287 30.115 29.762 0.110 0.000 1.421 145 H HN 0.461 nan 8.280 nan 0.000 0.554 146 N N 0.290 119.164 118.700 0.290 0.000 2.336 146 N HA -0.034 4.706 4.740 0.001 0.000 0.189 146 N C -0.338 175.335 175.510 0.272 0.000 1.113 146 N CA -0.091 53.099 53.050 0.233 0.000 0.858 146 N CB -0.094 38.492 38.487 0.166 0.000 0.970 146 N HN 0.187 nan 8.380 nan 0.000 0.471 147 F N 2.336 122.397 119.950 0.187 0.000 2.580 147 F HA -0.043 4.485 4.527 0.001 0.000 0.398 147 F C 0.675 176.545 175.800 0.116 0.000 1.023 147 F CA 0.084 58.188 58.000 0.173 0.000 1.188 147 F CB 0.256 39.328 39.000 0.119 0.000 1.005 147 F HN -0.014 nan 8.300 nan 0.000 0.546 148 S N 5.895 121.545 115.700 -0.084 0.000 2.587 148 S HA 0.561 5.032 4.470 0.001 0.000 0.269 148 S C -1.327 173.231 174.600 -0.069 0.000 1.154 148 S CA -1.312 56.903 58.200 0.025 0.000 0.824 148 S CB 1.201 64.448 63.200 0.079 0.000 1.118 148 S HN 0.630 nan 8.310 nan 0.000 0.462 149 L N 2.554 123.770 121.223 -0.013 0.000 2.265 149 L HA 0.486 4.827 4.340 0.001 0.000 0.288 149 L C -1.673 175.221 176.870 0.039 0.000 1.058 149 L CA -1.764 53.089 54.840 0.021 0.000 0.809 149 L CB 0.918 42.928 42.059 -0.082 0.000 1.179 149 L HN 0.620 nan 8.230 nan 0.000 0.429 150 P HA 0.020 nan 4.420 nan 0.000 0.293 150 P C 0.243 177.489 177.300 -0.089 0.000 1.298 150 P CA -0.362 62.688 63.100 -0.083 0.000 0.757 150 P CB 0.921 32.447 31.700 -0.291 0.000 1.262 151 E N -0.266 119.856 120.200 -0.131 0.000 2.216 151 E HA -0.160 4.191 4.350 0.001 0.000 0.192 151 E C 1.487 178.034 176.600 -0.089 0.000 0.988 151 E CA 0.799 57.142 56.400 -0.095 0.000 0.834 151 E CB -0.011 29.635 29.700 -0.090 0.000 0.772 151 E HN 0.277 nan 8.360 nan 0.000 0.479 152 E N 1.242 121.367 120.200 -0.126 0.000 2.097 152 E HA -0.199 4.152 4.350 0.001 0.000 0.196 152 E C 1.706 178.316 176.600 0.016 0.000 1.000 152 E CA 1.766 58.135 56.400 -0.052 0.000 0.804 152 E CB -0.003 29.669 29.700 -0.048 0.000 0.740 152 E HN 0.352 nan 8.360 nan 0.000 0.454 153 D N -0.791 119.629 120.400 0.033 0.000 2.113 153 D HA -0.077 4.564 4.640 0.001 0.000 0.206 153 D C 2.126 178.339 176.300 -0.146 0.000 0.979 153 D CA 2.083 56.094 54.000 0.019 0.000 0.862 153 D CB -0.499 40.340 40.800 0.065 0.000 1.013 153 D HN 0.309 nan 8.370 nan 0.000 0.455 154 T N -0.722 113.728 114.554 -0.172 0.000 2.915 154 T HA -0.110 4.241 4.350 0.001 0.000 0.269 154 T C 1.708 176.338 174.700 -0.115 0.000 1.071 154 T CA 1.104 63.073 62.100 -0.219 0.000 1.132 154 T CB 0.171 68.969 68.868 -0.117 0.000 0.878 154 T HN 0.065 nan 8.240 nan 0.000 0.479 155 K N 0.033 120.388 120.400 -0.074 0.000 2.435 155 K HA 0.324 4.645 4.320 0.001 0.000 0.199 155 K C 1.676 178.258 176.600 -0.031 0.000 1.153 155 K CA 0.014 56.276 56.287 -0.042 0.000 0.974 155 K CB 0.334 32.814 32.500 -0.034 0.000 0.997 155 K HN 0.377 nan 8.250 nan 0.000 0.547 156 L N -0.467 120.738 121.223 -0.030 0.000 2.519 156 L HA 0.240 4.580 4.340 0.001 0.000 0.194 156 L C 2.039 178.905 176.870 -0.007 0.000 1.072 156 L CA 0.022 54.854 54.840 -0.013 0.000 0.845 156 L CB -0.281 41.776 42.059 -0.004 0.000 1.138 156 L HN -0.141 nan 8.230 nan 0.000 0.487 157 K N 0.994 121.399 120.400 0.007 0.000 2.007 157 K HA 0.022 4.343 4.320 0.001 0.000 0.206 157 K C 2.084 178.670 176.600 -0.022 0.000 1.047 157 K CA 1.283 57.592 56.287 0.036 0.000 0.937 157 K CB -0.112 32.469 32.500 0.136 0.000 0.718 157 K HN 0.078 nan 8.250 nan 0.000 0.438 158 I N 1.228 121.735 120.570 -0.106 0.000 2.163 158 I HA -0.229 3.941 4.170 0.001 0.000 0.243 158 I C -1.070 174.953 176.117 -0.155 0.000 1.085 158 I CA 1.324 62.486 61.300 -0.230 0.000 1.347 158 I CB -0.806 36.947 38.000 -0.410 0.000 1.044 158 I HN 0.119 nan 8.210 nan 0.000 0.408 159 P HA -0.121 nan 4.420 nan 0.000 0.220 159 P C 1.862 179.170 177.300 0.012 0.000 1.148 159 P CA 1.331 64.473 63.100 0.070 0.000 0.803 159 P CB 0.028 31.753 31.700 0.042 0.000 0.782 160 L N -1.337 119.865 121.223 -0.034 0.000 2.072 160 L HA -0.111 4.229 4.340 0.001 0.000 0.205 160 L C 2.382 179.184 176.870 -0.112 0.000 1.079 160 L CA 1.240 56.053 54.840 -0.046 0.000 0.752 160 L CB -0.741 41.305 42.059 -0.022 0.000 0.906 160 L HN -0.104 nan 8.230 nan 0.000 0.436 161 I N -1.083 119.394 120.570 -0.155 0.000 2.226 161 I HA -0.318 3.853 4.170 0.001 0.000 0.245 161 I C 2.592 178.549 176.117 -0.267 0.000 1.100 161 I CA 1.035 62.190 61.300 -0.241 0.000 1.374 161 I CB -0.622 37.237 38.000 -0.235 0.000 1.057 161 I HN 0.300 nan 8.210 nan 0.000 0.413 162 H N 1.163 120.179 119.070 -0.090 0.000 2.390 162 H HA -0.125 4.431 4.556 0.001 0.000 0.298 162 H C 2.450 177.718 175.328 -0.100 0.000 1.106 162 H CA 1.464 57.464 56.048 -0.081 0.000 1.297 162 H CB -0.264 29.468 29.762 -0.051 0.000 1.375 162 H HN 0.360 nan 8.280 nan 0.000 0.509 163 R N 0.121 120.624 120.500 0.004 0.000 2.119 163 R HA 0.070 4.410 4.340 0.001 0.000 0.222 163 R C 2.559 178.793 176.300 -0.111 0.000 1.088 163 R CA 0.764 56.847 56.100 -0.029 0.000 0.984 163 R CB -0.006 30.284 30.300 -0.017 0.000 0.884 163 R HN 0.203 nan 8.270 nan 0.000 0.447 164 A N 1.453 124.110 122.820 -0.271 0.000 1.873 164 A HA -0.100 4.221 4.320 0.001 0.000 0.215 164 A C 2.116 179.464 177.584 -0.393 0.000 1.186 164 A CA 1.066 52.737 52.037 -0.610 0.000 0.616 164 A CB -0.496 17.658 19.000 -1.410 0.000 0.823 164 A HN 0.137 nan 8.150 nan 0.000 0.442 165 L N -0.637 120.429 121.223 -0.262 0.000 2.083 165 L HA -0.253 4.087 4.340 0.001 0.000 0.209 165 L C 2.754 179.601 176.870 -0.039 0.000 1.083 165 L CA 1.711 56.480 54.840 -0.117 0.000 0.752 165 L CB -1.189 40.828 42.059 -0.071 0.000 0.899 165 L HN 0.547 nan 8.230 nan 0.000 0.433 166 Q N 0.370 120.155 119.800 -0.024 0.000 2.124 166 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 166 Q C 2.308 178.316 176.000 0.013 0.000 0.977 166 Q CA 1.191 56.995 55.803 0.001 0.000 0.850 166 Q CB -0.210 28.531 28.738 0.004 0.000 0.901 166 Q HN 0.513 nan 8.270 nan 0.000 0.429 167 L N 0.288 121.519 121.223 0.013 0.000 2.179 167 L HA 0.054 4.394 4.340 0.001 0.000 0.208 167 L C 1.002 177.921 176.870 0.083 0.000 1.096 167 L CA -0.127 54.745 54.840 0.054 0.000 0.779 167 L CB -0.249 41.860 42.059 0.083 0.000 0.922 167 L HN 0.078 nan 8.230 nan 0.000 0.443 168 A N 0.265 123.138 122.820 0.087 0.000 2.363 168 A HA 0.210 4.530 4.320 0.001 0.000 0.270 168 A C 1.033 178.661 177.584 0.072 0.000 1.121 168 A CA -0.443 51.664 52.037 0.118 0.000 0.800 168 A CB 0.638 19.736 19.000 0.164 0.000 1.052 168 A HN 0.429 nan 8.150 nan 0.000 0.493 169 Q N 2.828 122.668 119.800 0.067 0.000 2.165 169 Q HA 0.055 4.395 4.340 0.001 0.000 0.197 169 Q C 0.286 176.313 176.000 0.046 0.000 0.952 169 Q CA 0.142 55.975 55.803 0.049 0.000 0.848 169 Q CB -0.195 28.570 28.738 0.045 0.000 0.931 169 Q HN 0.719 nan 8.270 nan 0.000 0.470 170 R N 2.845 123.375 120.500 0.050 0.000 2.494 170 R HA 0.067 4.407 4.340 0.001 0.000 0.291 170 R C -2.176 174.149 176.300 0.043 0.000 0.953 170 R CA -1.086 55.041 56.100 0.044 0.000 1.098 170 R CB -0.414 29.917 30.300 0.052 0.000 0.911 170 R HN 0.263 nan 8.270 nan 0.000 0.407 171 P HA -0.040 nan 4.420 nan 0.000 0.266 171 P C -0.677 176.625 177.300 0.004 0.000 1.195 171 P CA 0.099 63.204 63.100 0.009 0.000 0.768 171 P CB 0.576 32.273 31.700 -0.006 0.000 0.838 172 V N 3.478 123.392 119.914 0.001 0.000 2.384 172 V HA 0.214 4.334 4.120 0.001 0.000 0.287 172 V C 0.305 176.375 176.094 -0.040 0.000 1.020 172 V CA -0.229 62.074 62.300 0.004 0.000 0.850 172 V CB 1.560 33.405 31.823 0.036 0.000 0.987 172 V HN 0.489 nan 8.190 nan 0.000 0.436 173 S N 6.015 121.671 115.700 -0.073 0.000 2.537 173 S HA 0.644 5.114 4.470 0.001 0.000 0.275 173 S C -0.331 174.280 174.600 0.018 0.000 1.272 173 S CA -0.460 57.703 58.200 -0.060 0.000 1.050 173 S CB 0.727 63.744 63.200 -0.304 0.000 0.961 173 S HN 0.483 nan 8.310 nan 0.000 0.496 174 L N 3.463 124.682 121.223 -0.006 0.000 2.317 174 L HA 0.640 4.981 4.340 0.001 0.000 0.281 174 L C -0.741 176.233 176.870 0.173 0.000 1.024 174 L CA -0.936 53.815 54.840 -0.148 0.000 0.810 174 L CB 1.167 42.719 42.059 -0.846 0.000 1.240 174 L HN 0.416 nan 8.230 nan 0.000 0.427 175 L N 3.062 124.475 121.223 0.317 0.000 2.385 175 L HA 0.870 5.211 4.340 0.001 0.000 0.273 175 L C -0.645 176.478 176.870 0.422 0.000 0.990 175 L CA -0.240 54.818 54.840 0.362 0.000 0.821 175 L CB 1.704 43.891 42.059 0.214 0.000 1.279 175 L HN 0.650 nan 8.230 nan 0.000 0.412 176 A N 3.172 126.124 122.820 0.218 0.000 2.330 176 A HA 0.893 5.214 4.320 0.001 0.000 0.327 176 A C -0.734 176.761 177.584 -0.150 0.000 1.155 176 A CA -0.454 51.540 52.037 -0.070 0.000 0.803 176 A CB 1.067 19.652 19.000 -0.692 0.000 1.208 176 A HN 0.735 nan 8.150 nan 0.000 0.477 177 S N 3.313 118.972 115.700 -0.070 0.000 2.557 177 S HA 0.698 5.169 4.470 0.001 0.000 0.291 177 S C -2.954 171.622 174.600 -0.040 0.000 1.116 177 S CA -1.056 57.077 58.200 -0.111 0.000 0.992 177 S CB 1.858 64.950 63.200 -0.181 0.000 1.028 177 S HN 0.622 nan 8.310 nan 0.000 0.484 178 P HA 0.214 nan 4.420 nan 0.000 0.277 178 P C 0.106 177.498 177.300 0.154 0.000 1.240 178 P CA -0.535 62.603 63.100 0.064 0.000 0.798 178 P CB 0.850 32.582 31.700 0.053 0.000 0.979 179 W N 0.253 121.565 121.300 0.021 0.000 2.630 179 W HA 0.075 4.735 4.660 0.001 0.000 0.275 179 W C 0.631 177.151 176.519 0.001 0.000 1.192 179 W CA 0.563 57.934 57.345 0.043 0.000 1.410 179 W CB 0.607 30.108 29.460 0.069 0.000 1.075 179 W HN 0.252 nan 8.180 nan 0.000 0.581 180 T N -0.246 114.397 114.554 0.148 0.000 2.843 180 T HA 0.281 4.631 4.350 0.001 0.000 0.302 180 T C -0.471 174.007 174.700 -0.369 0.000 1.232 180 T CA -0.394 61.639 62.100 -0.111 0.000 1.009 180 T CB 1.532 70.347 68.868 -0.089 0.000 1.254 180 T HN -0.114 nan 8.240 nan 0.000 0.504 181 S N 2.763 117.985 115.700 -0.795 0.000 2.672 181 S HA 0.712 5.183 4.470 0.001 0.000 0.276 181 S C -2.760 171.402 174.600 -0.730 0.000 1.207 181 S CA -1.253 56.177 58.200 -1.283 0.000 1.002 181 S CB 0.623 62.797 63.200 -1.710 0.000 0.998 181 S HN 0.506 nan 8.310 nan 0.000 0.542 182 P HA -0.033 nan 4.420 nan 0.000 0.265 182 P C 1.127 178.073 177.300 -0.589 0.000 1.167 182 P CA 0.493 63.251 63.100 -0.570 0.000 0.760 182 P CB 0.167 31.326 31.700 -0.902 0.000 0.783 183 T N -0.741 113.642 114.554 -0.286 0.000 2.962 183 T HA -0.135 4.215 4.350 0.001 0.000 0.270 183 T C 1.204 175.828 174.700 -0.125 0.000 1.088 183 T CA 0.639 62.630 62.100 -0.181 0.000 1.127 183 T CB -0.610 68.228 68.868 -0.051 0.000 0.883 183 T HN 0.603 nan 8.240 nan 0.000 0.493 184 W N 1.259 122.496 121.300 -0.106 0.000 3.180 184 W HA 0.391 5.051 4.660 0.001 0.000 0.254 184 W C 0.438 176.933 176.519 -0.041 0.000 1.318 184 W CA -0.523 56.781 57.345 -0.069 0.000 1.608 184 W CB -0.775 28.652 29.460 -0.056 0.000 1.124 184 W HN 0.249 nan 8.180 nan 0.000 0.694 185 L N 0.828 121.789 121.223 -0.436 0.000 2.607 185 L HA 0.225 4.565 4.340 0.001 0.000 0.228 185 L C 0.780 177.413 176.870 -0.395 0.000 1.123 185 L CA 0.420 55.053 54.840 -0.344 0.000 0.890 185 L CB -0.257 41.481 42.059 -0.534 0.000 1.103 185 L HN -0.274 nan 8.230 nan 0.000 0.468 186 K N -0.046 120.148 120.400 -0.343 0.000 2.110 186 K HA 0.195 4.515 4.320 0.001 0.000 0.263 186 K C 1.318 177.773 176.600 -0.242 0.000 0.975 186 K CA 0.094 56.183 56.287 -0.329 0.000 0.895 186 K CB 1.750 34.069 32.500 -0.303 0.000 1.060 186 K HN -0.036 nan 8.250 nan 0.000 0.448 187 T N -1.172 113.244 114.554 -0.230 0.000 2.699 187 T HA -0.204 4.146 4.350 0.001 0.000 0.268 187 T C 1.233 175.861 174.700 -0.119 0.000 1.036 187 T CA 1.752 63.753 62.100 -0.165 0.000 1.147 187 T CB -0.245 68.540 68.868 -0.138 0.000 0.862 187 T HN 0.701 nan 8.240 nan 0.000 0.446 188 N N 1.528 120.158 118.700 -0.117 0.000 2.280 188 N HA 0.164 4.904 4.740 0.001 0.000 0.192 188 N C 1.370 176.844 175.510 -0.061 0.000 1.109 188 N CA 0.496 53.500 53.050 -0.078 0.000 0.855 188 N CB -0.688 37.758 38.487 -0.069 0.000 0.974 188 N HN 0.667 nan 8.380 nan 0.000 0.482 189 G N 0.116 108.874 108.800 -0.070 0.000 2.421 189 G HA2 0.005 3.966 3.960 0.001 0.000 0.300 189 G HA3 0.005 3.966 3.960 0.001 0.000 0.300 189 G C -0.011 174.867 174.900 -0.036 0.000 0.974 189 G CA 0.634 45.709 45.100 -0.042 0.000 1.062 189 G HN 0.898 nan 8.290 nan 0.000 0.514 190 A N -1.307 121.480 122.820 -0.055 0.000 2.549 190 A HA 0.814 5.135 4.320 0.001 0.000 0.297 190 A C 0.973 178.530 177.584 -0.046 0.000 1.061 190 A CA 0.143 52.160 52.037 -0.033 0.000 0.690 190 A CB 1.105 20.097 19.000 -0.012 0.000 1.287 190 A HN 1.491 nan 8.150 nan 0.000 0.402 191 V N -0.630 119.271 119.914 -0.023 0.000 2.970 191 V HA 0.086 4.207 4.120 0.001 0.000 0.260 191 V C 0.676 176.802 176.094 0.052 0.000 1.100 191 V CA 1.644 63.932 62.300 -0.020 0.000 1.122 191 V CB -1.745 30.060 31.823 -0.030 0.000 0.721 191 V HN 0.934 nan 8.190 nan 0.000 0.483 192 N N -0.049 118.700 118.700 0.081 0.000 3.566 192 N HA 0.556 5.297 4.740 0.001 0.000 0.354 192 N C 0.620 176.181 175.510 0.085 0.000 1.632 192 N CA 0.250 53.384 53.050 0.139 0.000 0.690 192 N CB 0.527 39.132 38.487 0.197 0.000 2.273 192 N HN 0.773 nan 8.380 nan 0.000 0.643 193 G N 0.276 109.141 108.800 0.108 0.000 2.682 193 G HA2 -0.262 3.698 3.960 0.001 0.000 0.256 193 G HA3 -0.262 3.698 3.960 0.001 0.000 0.256 193 G C -0.697 174.225 174.900 0.036 0.000 1.333 193 G CA 0.237 45.378 45.100 0.068 0.000 0.904 193 G HN 0.862 nan 8.290 nan 0.000 0.569 194 K N 0.649 121.049 120.400 0.000 0.000 2.276 194 K HA 0.562 4.882 4.320 0.001 0.000 0.283 194 K C 0.301 176.864 176.600 -0.062 0.000 1.044 194 K CA 0.374 56.640 56.287 -0.035 0.000 0.944 194 K CB 0.360 32.840 32.500 -0.032 0.000 1.012 194 K HN 1.919 nan 8.250 nan 0.000 0.472 195 G N 1.773 110.514 108.800 -0.099 0.000 2.270 195 G HA2 0.139 4.100 3.960 0.001 0.000 0.295 195 G HA3 0.139 4.100 3.960 0.001 0.000 0.295 195 G C -1.146 173.624 174.900 -0.217 0.000 1.732 195 G CA -0.453 44.563 45.100 -0.140 0.000 0.909 195 G HN 0.663 nan 8.290 nan 0.000 0.730 196 S N 1.320 116.867 115.700 -0.254 0.000 2.823 196 S HA 0.855 5.326 4.470 0.001 0.000 0.316 196 S C 0.263 174.604 174.600 -0.432 0.000 1.116 196 S CA -0.976 56.988 58.200 -0.393 0.000 0.911 196 S CB 1.087 64.107 63.200 -0.299 0.000 1.276 196 S HN 0.808 nan 8.310 nan 0.000 0.565 197 L N 1.233 122.116 121.223 -0.567 0.000 2.483 197 L HA 0.273 4.613 4.340 0.001 0.000 0.276 197 L C 0.566 177.278 176.870 -0.264 0.000 1.213 197 L CA -0.083 54.452 54.840 -0.508 0.000 0.843 197 L CB 0.189 41.797 42.059 -0.752 0.000 1.107 197 L HN 0.650 nan 8.230 nan 0.000 0.487 198 K N 1.555 121.750 120.400 -0.342 0.000 2.270 198 K HA 0.411 4.732 4.320 0.001 0.000 0.276 198 K C 0.694 177.225 176.600 -0.116 0.000 1.023 198 K CA 0.613 56.673 56.287 -0.379 0.000 0.955 198 K CB 0.873 32.834 32.500 -0.899 0.000 0.975 198 K HN 0.790 nan 8.250 nan 0.000 0.471 199 G N 1.317 110.092 108.800 -0.042 0.000 2.514 199 G HA2 -0.254 3.706 3.960 0.001 0.000 0.265 199 G HA3 -0.254 3.706 3.960 0.001 0.000 0.265 199 G C -1.086 173.833 174.900 0.033 0.000 1.150 199 G CA 0.278 45.418 45.100 0.067 0.000 0.959 199 G HN 0.653 nan 8.290 nan 0.000 0.556 200 Q N -0.097 119.665 119.800 -0.064 0.000 2.435 200 Q HA 0.633 4.973 4.340 0.001 0.000 0.282 200 Q C -3.286 172.256 176.000 -0.762 0.000 1.020 200 Q CA -1.962 53.618 55.803 -0.373 0.000 0.820 200 Q CB 0.863 29.469 28.738 -0.221 0.000 1.436 200 Q HN 0.432 nan 8.270 nan 0.000 0.395 201 P HA 0.114 nan 4.420 nan 0.000 0.261 201 P C 0.687 177.861 177.300 -0.209 0.000 1.165 201 P CA 2.756 65.565 63.100 -0.485 0.000 0.759 201 P CB 0.094 31.730 31.700 -0.107 0.000 0.772 202 G N 2.234 111.011 108.800 -0.038 0.000 2.376 202 G HA2 -0.190 3.770 3.960 0.001 0.000 0.208 202 G HA3 -0.190 3.770 3.960 0.001 0.000 0.208 202 G C 0.142 175.079 174.900 0.062 0.000 1.032 202 G CA 0.209 45.319 45.100 0.018 0.000 0.641 202 G HN 0.687 nan 8.290 nan 0.000 0.503 203 D N 1.658 122.099 120.400 0.068 0.000 2.380 203 D HA 0.379 5.020 4.640 0.001 0.000 0.254 203 D C 2.119 178.491 176.300 0.120 0.000 1.288 203 D CA -0.076 53.984 54.000 0.099 0.000 1.008 203 D CB 0.041 40.927 40.800 0.143 0.000 1.099 203 D HN 0.257 nan 8.370 nan 0.000 0.537 204 I N -1.366 119.171 120.570 -0.055 0.000 2.361 204 I HA -0.241 3.929 4.170 0.001 0.000 0.251 204 I C 2.066 178.167 176.117 -0.027 0.000 1.133 204 I CA 1.200 62.378 61.300 -0.203 0.000 1.413 204 I CB -1.664 35.946 38.000 -0.649 0.000 1.073 204 I HN 0.370 nan 8.210 nan 0.000 0.424 205 Y N 1.005 121.469 120.300 0.274 0.000 2.153 205 Y HA -0.162 4.389 4.550 0.001 0.000 0.289 205 Y C 2.944 179.029 175.900 0.309 0.000 1.127 205 Y CA 1.590 59.894 58.100 0.340 0.000 1.131 205 Y CB -0.846 37.766 38.460 0.252 0.000 0.995 205 Y HN 0.139 nan 8.280 nan 0.000 0.505 206 H N -0.444 118.872 119.070 0.410 0.000 2.387 206 H HA -0.148 4.408 4.556 0.001 0.000 0.299 206 H C 2.091 177.706 175.328 0.479 0.000 1.090 206 H CA 1.602 57.922 56.048 0.453 0.000 1.332 206 H CB -0.086 29.935 29.762 0.432 0.000 1.386 206 H HN 0.225 nan 8.280 nan 0.000 0.516 207 Q N -0.319 119.744 119.800 0.439 0.000 2.119 207 Q HA -0.090 4.250 4.340 0.001 0.000 0.201 207 Q C 2.287 178.481 176.000 0.325 0.000 0.972 207 Q CA 1.516 57.502 55.803 0.305 0.000 0.847 207 Q CB -0.475 28.380 28.738 0.195 0.000 0.903 207 Q HN 0.456 nan 8.270 nan 0.000 0.433 208 T N 0.564 115.347 114.554 0.383 0.000 2.737 208 T HA -0.146 4.204 4.350 0.001 0.000 0.265 208 T C 1.231 176.217 174.700 0.477 0.000 1.038 208 T CA 0.932 63.279 62.100 0.412 0.000 1.144 208 T CB -0.314 68.846 68.868 0.485 0.000 0.866 208 T HN 0.503 nan 8.240 nan 0.000 0.434 209 W N 1.663 123.102 121.300 0.232 0.000 2.353 209 W HA -0.168 4.492 4.660 0.001 0.000 0.319 209 W C 2.625 179.435 176.519 0.485 0.000 1.207 209 W CA 0.921 58.403 57.345 0.227 0.000 1.291 209 W CB -0.373 29.101 29.460 0.023 0.000 1.159 209 W HN 0.290 nan 8.180 nan 0.000 0.478 210 A N 1.064 124.167 122.820 0.472 0.000 1.940 210 A HA -0.334 3.986 4.320 0.001 0.000 0.221 210 A C 1.951 179.612 177.584 0.127 0.000 1.190 210 A CA 2.446 54.589 52.037 0.177 0.000 0.647 210 A CB -1.236 17.811 19.000 0.079 0.000 0.821 210 A HN 0.494 nan 8.150 nan 0.000 0.457 211 R N -2.243 118.373 120.500 0.194 0.000 2.096 211 R HA -0.179 4.162 4.340 0.001 0.000 0.235 211 R C 2.038 178.429 176.300 0.152 0.000 1.127 211 R CA 1.730 57.917 56.100 0.144 0.000 0.968 211 R CB -0.490 29.902 30.300 0.153 0.000 0.861 211 R HN 0.666 nan 8.270 nan 0.000 0.440 212 Y N 0.052 120.420 120.300 0.114 0.000 2.165 212 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 212 Y C 1.533 177.433 175.900 -0.001 0.000 1.155 212 Y CA 1.842 60.015 58.100 0.121 0.000 1.164 212 Y CB -0.271 38.339 38.460 0.249 0.000 0.978 212 Y HN 0.016 nan 8.280 nan 0.000 0.513 213 F N -0.870 119.034 119.950 -0.077 0.000 2.120 213 F HA -0.291 4.237 4.527 0.001 0.000 0.300 213 F C 2.341 178.061 175.800 -0.133 0.000 1.095 213 F CA 1.766 59.667 58.000 -0.165 0.000 1.249 213 F CB -0.987 37.859 39.000 -0.258 0.000 0.995 213 F HN -0.091 nan 8.300 nan 0.000 0.480 214 V N -0.276 119.674 119.914 0.060 0.000 2.323 214 V HA -0.238 3.883 4.120 0.001 0.000 0.244 214 V C 2.417 178.415 176.094 -0.160 0.000 1.041 214 V CA 1.481 63.773 62.300 -0.014 0.000 1.025 214 V CB -0.525 31.316 31.823 0.031 0.000 0.656 214 V HN 0.158 nan 8.190 nan 0.000 0.451 215 K N -0.086 120.103 120.400 -0.351 0.000 2.074 215 K HA -0.211 4.110 4.320 0.001 0.000 0.209 215 K C 2.001 178.152 176.600 -0.748 0.000 1.048 215 K CA 1.780 57.605 56.287 -0.769 0.000 0.926 215 K CB -0.962 30.595 32.500 -1.573 0.000 0.713 215 K HN 0.516 nan 8.250 nan 0.000 0.444 216 F N 1.831 121.396 119.950 -0.642 0.000 2.046 216 F HA -0.211 4.316 4.527 0.001 0.000 0.297 216 F C 2.057 177.716 175.800 -0.236 0.000 1.123 216 F CA 1.410 59.236 58.000 -0.291 0.000 1.199 216 F CB -0.442 38.374 39.000 -0.306 0.000 0.972 216 F HN -0.110 nan 8.300 nan 0.000 0.474 217 L N 0.210 121.219 121.223 -0.357 0.000 2.013 217 L HA -0.289 4.052 4.340 0.001 0.000 0.212 217 L C 2.318 178.926 176.870 -0.438 0.000 1.073 217 L CA 1.686 56.212 54.840 -0.523 0.000 0.753 217 L CB -1.054 40.564 42.059 -0.735 0.000 0.890 217 L HN 0.159 nan 8.230 nan 0.000 0.432 218 D N 0.278 120.525 120.400 -0.256 0.000 2.116 218 D HA -0.237 4.404 4.640 0.001 0.000 0.193 218 D C 2.202 178.478 176.300 -0.040 0.000 0.998 218 D CA 1.761 55.753 54.000 -0.014 0.000 0.836 218 D CB -0.229 40.567 40.800 -0.007 0.000 0.951 218 D HN 0.390 nan 8.370 nan 0.000 0.449 219 A N 0.094 122.855 122.820 -0.099 0.000 1.877 219 A HA -0.214 4.107 4.320 0.001 0.000 0.216 219 A C 2.145 179.747 177.584 0.030 0.000 1.186 219 A CA 1.215 53.237 52.037 -0.025 0.000 0.620 219 A CB -1.074 17.916 19.000 -0.016 0.000 0.822 219 A HN 0.229 nan 8.150 nan 0.000 0.443 220 Y N -0.151 120.005 120.300 -0.240 0.000 2.293 220 Y HA -0.017 4.534 4.550 0.001 0.000 0.291 220 Y C 2.835 178.753 175.900 0.031 0.000 1.137 220 Y CA 0.604 58.636 58.100 -0.114 0.000 1.202 220 Y CB -0.428 37.908 38.460 -0.207 0.000 0.990 220 Y HN 0.341 nan 8.280 nan 0.000 0.537 221 A N -0.026 122.871 122.820 0.129 0.000 1.933 221 A HA -0.211 4.110 4.320 0.001 0.000 0.218 221 A C 2.003 179.624 177.584 0.061 0.000 1.175 221 A CA 1.783 53.889 52.037 0.116 0.000 0.628 221 A CB -0.585 18.507 19.000 0.154 0.000 0.814 221 A HN 0.452 nan 8.150 nan 0.000 0.444 222 E N -0.556 119.649 120.200 0.009 0.000 2.160 222 E HA -0.174 4.177 4.350 0.001 0.000 0.195 222 E C 1.239 177.699 176.600 -0.232 0.000 0.991 222 E CA 1.271 57.601 56.400 -0.118 0.000 0.810 222 E CB -0.193 29.405 29.700 -0.171 0.000 0.742 222 E HN 0.747 nan 8.360 nan 0.000 0.466 223 H N 0.279 119.324 119.070 -0.042 0.000 2.524 223 H HA 0.130 4.686 4.556 0.001 0.000 0.280 223 H C -0.134 175.255 175.328 0.101 0.000 1.018 223 H CA 0.320 56.367 56.048 -0.001 0.000 1.165 223 H CB 0.449 30.169 29.762 -0.069 0.000 1.411 223 H HN -0.018 nan 8.280 nan 0.000 0.569 224 K N 0.228 120.712 120.400 0.140 0.000 3.162 224 K HA -0.164 4.157 4.320 0.001 0.000 0.268 224 K C -0.609 176.107 176.600 0.194 0.000 1.062 224 K CA 0.328 56.695 56.287 0.133 0.000 0.769 224 K CB -2.325 30.218 32.500 0.072 0.000 1.274 224 K HN 0.358 nan 8.250 nan 0.000 0.478 225 L N 1.104 122.430 121.223 0.172 0.000 2.386 225 L HA 0.342 4.682 4.340 0.001 0.000 0.271 225 L C 0.136 177.071 176.870 0.109 0.000 0.993 225 L CA -0.934 53.970 54.840 0.107 0.000 0.819 225 L CB 1.922 44.036 42.059 0.092 0.000 1.294 225 L HN -0.020 nan 8.230 nan 0.000 0.414 226 Q N 2.346 122.164 119.800 0.030 0.000 2.309 226 Q HA 0.522 4.863 4.340 0.001 0.000 0.264 226 Q C -1.036 174.951 176.000 -0.021 0.000 1.008 226 Q CA -0.553 55.298 55.803 0.080 0.000 0.853 226 Q CB 2.387 31.171 28.738 0.076 0.000 1.314 226 Q HN 0.285 nan 8.270 nan 0.000 0.448 227 F N 0.787 120.749 119.950 0.021 0.000 2.384 227 F HA 0.129 4.656 4.527 0.001 0.000 0.338 227 F C 1.127 176.972 175.800 0.074 0.000 1.103 227 F CA -0.610 57.411 58.000 0.036 0.000 1.157 227 F CB 0.699 39.691 39.000 -0.014 0.000 1.167 227 F HN 0.719 nan 8.300 nan 0.000 0.529 228 W N 3.724 125.039 121.300 0.024 0.000 2.378 228 W HA 0.298 4.959 4.660 0.001 0.000 0.313 228 W C -0.155 176.353 176.519 -0.019 0.000 1.197 228 W CA 1.222 58.552 57.345 -0.025 0.000 1.304 228 W CB -0.212 29.204 29.460 -0.073 0.000 1.148 228 W HN 0.447 nan 8.180 nan 0.000 0.494 229 A N -0.127 122.536 122.820 -0.260 0.000 2.612 229 A HA 0.564 4.885 4.320 0.001 0.000 0.293 229 A C -1.341 176.081 177.584 -0.270 0.000 1.075 229 A CA -0.259 51.408 52.037 -0.618 0.000 0.680 229 A CB 0.799 18.872 19.000 -1.545 0.000 1.279 229 A HN 0.528 nan 8.150 nan 0.000 0.411 230 V N -0.960 118.776 119.914 -0.297 0.000 2.715 230 V HA 0.917 5.037 4.120 0.001 0.000 0.310 230 V C 0.186 176.152 176.094 -0.213 0.000 1.054 230 V CA -0.008 62.166 62.300 -0.209 0.000 0.928 230 V CB 1.302 33.068 31.823 -0.095 0.000 1.007 230 V HN 1.570 nan 8.190 nan 0.000 0.437 231 T N 0.900 115.358 114.554 -0.158 0.000 2.882 231 T HA 0.633 4.984 4.350 0.001 0.000 0.287 231 T C 1.291 175.974 174.700 -0.030 0.000 0.992 231 T CA 0.120 62.132 62.100 -0.147 0.000 1.076 231 T CB 1.535 70.291 68.868 -0.187 0.000 0.961 231 T HN 1.583 nan 8.240 nan 0.000 0.490 232 A N 1.750 124.508 122.820 -0.103 0.000 2.032 232 A HA 0.115 4.435 4.320 0.001 0.000 0.221 232 A C 0.934 178.511 177.584 -0.012 0.000 1.165 232 A CA 1.758 53.742 52.037 -0.089 0.000 0.645 232 A CB -0.802 18.090 19.000 -0.181 0.000 0.807 232 A HN 1.050 nan 8.150 nan 0.000 0.453 233 E N -2.308 117.828 120.200 -0.107 0.000 2.857 233 E HA 0.216 4.567 4.350 0.001 0.000 0.309 233 E C -1.336 175.081 176.600 -0.304 0.000 1.113 233 E CA -0.353 55.965 56.400 -0.138 0.000 0.906 233 E CB -0.094 29.465 29.700 -0.236 0.000 1.191 233 E HN 0.236 nan 8.360 nan 0.000 0.449 234 N N 2.312 120.744 118.700 -0.446 0.000 2.520 234 N HA 0.208 4.949 4.740 0.001 0.000 0.273 234 N C -0.813 174.358 175.510 -0.565 0.000 1.155 234 N CA 0.169 52.789 53.050 -0.718 0.000 0.967 234 N CB 0.541 38.092 38.487 -1.560 0.000 1.092 234 N HN 0.576 nan 8.380 nan 0.000 0.457 235 E N 1.818 121.677 120.200 -0.568 0.000 1.867 235 E HA -0.209 4.141 4.350 0.001 0.000 0.164 235 E C -1.583 174.812 176.600 -0.341 0.000 1.355 235 E CA -0.056 56.061 56.400 -0.473 0.000 0.575 235 E CB -0.359 29.130 29.700 -0.351 0.000 1.037 235 E HN 0.641 nan 8.360 nan 0.000 0.286 236 P HA -0.299 nan 4.420 nan 0.000 0.217 236 P C 1.372 178.649 177.300 -0.039 0.000 1.148 236 P CA 1.941 65.010 63.100 -0.050 0.000 0.828 236 P CB 0.113 31.825 31.700 0.020 0.000 0.783 237 S N 0.254 115.854 115.700 -0.166 0.000 2.368 237 S HA -0.072 4.399 4.470 0.001 0.000 0.224 237 S C 2.301 176.784 174.600 -0.196 0.000 1.029 237 S CA 1.061 59.207 58.200 -0.090 0.000 0.988 237 S CB -1.494 61.632 63.200 -0.122 0.000 0.838 237 S HN 0.156 nan 8.310 nan 0.000 0.462 238 A N 2.250 124.848 122.820 -0.371 0.000 1.915 238 A HA 0.001 4.322 4.320 0.001 0.000 0.220 238 A C 2.402 179.655 177.584 -0.552 0.000 1.198 238 A CA 1.896 53.496 52.037 -0.729 0.000 0.647 238 A CB -1.949 16.280 19.000 -1.285 0.000 0.825 238 A HN 0.789 nan 8.150 nan 0.000 0.456 239 G N -0.919 107.690 108.800 -0.319 0.000 2.615 239 G HA2 0.072 4.033 3.960 0.001 0.000 0.213 239 G HA3 0.072 4.033 3.960 0.001 0.000 0.213 239 G C 1.023 175.845 174.900 -0.130 0.000 1.135 239 G CA 0.896 45.891 45.100 -0.176 0.000 0.772 239 G HN 0.520 nan 8.290 nan 0.000 0.542 240 L N -0.230 120.920 121.223 -0.123 0.000 2.769 240 L HA 0.428 4.768 4.340 0.001 0.000 0.240 240 L C -0.092 176.740 176.870 -0.063 0.000 1.163 240 L CA -0.213 54.585 54.840 -0.071 0.000 0.962 240 L CB 0.121 42.163 42.059 -0.028 0.000 1.258 240 L HN 0.015 nan 8.230 nan 0.000 0.513 241 L N -0.292 120.884 121.223 -0.077 0.000 2.329 241 L HA 0.487 4.828 4.340 0.001 0.000 0.279 241 L C 0.493 177.363 176.870 0.001 0.000 1.014 241 L CA -0.705 54.115 54.840 -0.033 0.000 0.814 241 L CB 1.751 43.795 42.059 -0.024 0.000 1.257 241 L HN 0.034 nan 8.230 nan 0.000 0.424 242 S N 0.608 116.307 115.700 -0.001 0.000 2.549 242 S HA 0.436 4.906 4.470 0.001 0.000 0.283 242 S C 1.149 175.757 174.600 0.012 0.000 1.320 242 S CA 0.113 58.314 58.200 0.001 0.000 1.058 242 S CB 1.104 64.299 63.200 -0.009 0.000 0.882 242 S HN 1.169 nan 8.310 nan 0.000 0.498 243 G N 0.950 109.758 108.800 0.013 0.000 2.179 243 G HA2 -0.316 3.644 3.960 0.001 0.000 0.260 243 G HA3 -0.316 3.644 3.960 0.001 0.000 0.260 243 G C -0.075 174.819 174.900 -0.010 0.000 0.977 243 G CA 0.221 45.319 45.100 -0.004 0.000 0.641 243 G HN 1.061 nan 8.290 nan 0.000 0.533 244 Y N 2.751 122.986 120.300 -0.109 0.000 2.865 244 Y HA 0.196 4.747 4.550 0.001 0.000 0.338 244 Y C 0.018 175.817 175.900 -0.168 0.000 1.269 244 Y CA -0.268 57.733 58.100 -0.165 0.000 1.585 244 Y CB 0.891 39.279 38.460 -0.120 0.000 1.224 244 Y HN 0.136 nan 8.280 nan 0.000 0.554 245 P HA -0.116 nan 4.420 nan 0.000 0.218 245 P C -0.067 177.037 177.300 -0.326 0.000 1.152 245 P CA 1.040 63.818 63.100 -0.535 0.000 0.826 245 P CB 0.182 31.439 31.700 -0.738 0.000 0.790 246 F N 0.155 119.816 119.950 -0.482 0.000 2.378 246 F HA 0.252 4.780 4.527 0.001 0.000 0.319 246 F C 1.148 177.082 175.800 0.223 0.000 1.155 246 F CA -1.552 56.380 58.000 -0.114 0.000 1.157 246 F CB 0.079 39.075 39.000 -0.007 0.000 1.252 246 F HN -0.283 nan 8.300 nan 0.000 0.550 247 Q N 1.175 121.311 119.800 0.560 0.000 2.269 247 Q HA 0.149 4.489 4.340 0.001 0.000 0.300 247 Q C -0.472 175.843 176.000 0.524 0.000 1.070 247 Q CA 0.232 56.304 55.803 0.449 0.000 0.957 247 Q CB 0.325 29.266 28.738 0.338 0.000 1.131 247 Q HN 0.654 nan 8.270 nan 0.000 0.377 248 C N 0.603 120.088 119.300 0.310 0.000 3.335 248 C HA 0.923 5.383 4.460 0.001 0.000 0.356 248 C C -1.543 173.454 174.990 0.011 0.000 1.570 248 C CA -1.247 57.872 59.018 0.169 0.000 1.271 248 C CB 0.892 28.704 27.740 0.120 0.000 1.873 248 C HN 0.791 nan 8.230 nan 0.000 0.439 249 L N 1.220 122.410 121.223 -0.055 0.000 2.830 249 L HA 0.663 5.004 4.340 0.001 0.000 0.259 249 L C -0.117 176.667 176.870 -0.143 0.000 0.943 249 L CA 0.373 55.115 54.840 -0.163 0.000 0.997 249 L CB 0.935 42.878 42.059 -0.193 0.000 1.427 249 L HN 1.401 nan 8.230 nan 0.000 0.456 250 G N 3.422 112.046 108.800 -0.293 0.000 2.370 250 G HA2 0.539 4.499 3.960 0.001 0.000 0.272 250 G HA3 0.539 4.499 3.960 0.001 0.000 0.272 250 G C -1.239 173.394 174.900 -0.445 0.000 1.208 250 G CA -0.059 44.909 45.100 -0.220 0.000 0.856 250 G HN 0.375 nan 8.290 nan 0.000 0.500 251 F N 0.592 120.480 119.950 -0.104 0.000 2.557 251 F HA 0.363 4.891 4.527 0.001 0.000 0.316 251 F C 0.871 176.736 175.800 0.108 0.000 1.141 251 F CA -0.902 57.041 58.000 -0.096 0.000 0.922 251 F CB 2.008 40.971 39.000 -0.062 0.000 1.194 251 F HN 0.634 nan 8.300 nan 0.000 0.443 252 T N 0.090 114.768 114.554 0.207 0.000 2.813 252 T HA 0.204 4.554 4.350 0.001 0.000 0.297 252 T C -1.828 172.694 174.700 -0.297 0.000 1.036 252 T CA -1.466 60.662 62.100 0.047 0.000 1.044 252 T CB 1.019 69.894 68.868 0.010 0.000 0.993 252 T HN 0.307 nan 8.240 nan 0.000 0.535 253 P HA -0.138 nan 4.420 nan 0.000 0.216 253 P C 1.174 178.140 177.300 -0.557 0.000 1.153 253 P CA 1.331 63.533 63.100 -1.496 0.000 0.858 253 P CB 0.062 31.036 31.700 -1.210 0.000 0.789 254 E N -1.558 118.479 120.200 -0.273 0.000 2.047 254 E HA -0.195 4.155 4.350 0.001 0.000 0.191 254 E C 2.232 178.864 176.600 0.054 0.000 0.987 254 E CA 1.071 57.414 56.400 -0.095 0.000 0.799 254 E CB -1.081 28.581 29.700 -0.063 0.000 0.752 254 E HN 0.502 nan 8.360 nan 0.000 0.449 255 H N -0.047 119.032 119.070 0.015 0.000 2.353 255 H HA -0.139 4.418 4.556 0.001 0.000 0.300 255 H C 2.266 177.797 175.328 0.339 0.000 1.090 255 H CA 1.470 57.617 56.048 0.166 0.000 1.327 255 H CB 0.256 30.112 29.762 0.157 0.000 1.383 255 H HN 0.152 nan 8.280 nan 0.000 0.508 256 Q N 0.797 120.842 119.800 0.408 0.000 2.050 256 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 256 Q C 2.561 178.685 176.000 0.208 0.000 0.980 256 Q CA 1.545 57.518 55.803 0.283 0.000 0.840 256 Q CB -0.138 28.698 28.738 0.163 0.000 0.898 256 Q HN 0.359 nan 8.270 nan 0.000 0.424 257 R N -0.030 120.528 120.500 0.097 0.000 2.119 257 R HA -0.200 4.140 4.340 0.001 0.000 0.246 257 R C 1.169 177.524 176.300 0.092 0.000 1.146 257 R CA 2.090 58.218 56.100 0.048 0.000 0.962 257 R CB -0.157 30.133 30.300 -0.016 0.000 0.863 257 R HN 0.468 nan 8.270 nan 0.000 0.442 258 D N -0.721 119.779 120.400 0.166 0.000 2.249 258 D HA -0.110 4.531 4.640 0.001 0.000 0.205 258 D C 1.538 177.980 176.300 0.237 0.000 0.962 258 D CA 0.520 54.609 54.000 0.150 0.000 0.860 258 D CB -0.226 40.633 40.800 0.099 0.000 0.955 258 D HN 0.193 nan 8.370 nan 0.000 0.505 259 F N 1.890 121.997 119.950 0.263 0.000 2.171 259 F HA -0.086 4.442 4.527 0.001 0.000 0.300 259 F C 2.000 177.842 175.800 0.069 0.000 1.090 259 F CA 0.900 59.076 58.000 0.293 0.000 1.293 259 F CB -0.293 39.009 39.000 0.503 0.000 1.013 259 F HN -0.184 nan 8.300 nan 0.000 0.486 260 I N 0.093 120.563 120.570 -0.166 0.000 2.202 260 I HA -0.231 3.940 4.170 0.001 0.000 0.242 260 I C 2.710 178.675 176.117 -0.254 0.000 1.091 260 I CA 1.158 62.249 61.300 -0.347 0.000 1.368 260 I CB -0.994 36.900 38.000 -0.178 0.000 1.058 260 I HN 0.197 nan 8.210 nan 0.000 0.410 261 A N 0.923 123.708 122.820 -0.058 0.000 1.835 261 A HA -0.177 4.144 4.320 0.001 0.000 0.215 261 A C 2.421 179.991 177.584 -0.022 0.000 1.199 261 A CA 1.504 53.565 52.037 0.040 0.000 0.615 261 A CB -0.479 18.550 19.000 0.050 0.000 0.838 261 A HN 0.223 nan 8.150 nan 0.000 0.444 262 R N -0.501 119.980 120.500 -0.032 0.000 2.073 262 R HA -0.017 4.324 4.340 0.001 0.000 0.229 262 R C 1.083 177.333 176.300 -0.084 0.000 1.120 262 R CA 1.589 57.675 56.100 -0.024 0.000 0.967 262 R CB -0.463 29.849 30.300 0.020 0.000 0.862 262 R HN 0.626 nan 8.270 nan 0.000 0.436 263 D N -0.541 119.754 120.400 -0.176 0.000 3.194 263 D HA -0.022 4.619 4.640 0.001 0.000 0.290 263 D C 1.875 177.878 176.300 -0.495 0.000 1.280 263 D CA -0.038 53.837 54.000 -0.207 0.000 1.058 263 D CB -0.230 40.613 40.800 0.071 0.000 1.241 263 D HN -0.070 nan 8.370 nan 0.000 0.421 264 L N 1.991 122.647 121.223 -0.944 0.000 2.005 264 L HA 0.077 4.417 4.340 0.001 0.000 0.207 264 L C 2.252 178.654 176.870 -0.780 0.000 1.072 264 L CA 2.187 56.421 54.840 -1.010 0.000 0.744 264 L CB -1.134 40.081 42.059 -1.408 0.000 0.895 264 L HN 0.092 nan 8.230 nan 0.000 0.433 265 G N -0.237 108.015 108.800 -0.914 0.000 2.545 265 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 265 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 265 G C -0.602 173.549 174.900 -1.249 0.000 1.218 265 G CA 1.072 45.306 45.100 -1.444 0.000 0.787 265 G HN 0.362 nan 8.290 nan 0.000 0.571 266 P HA -0.090 nan 4.420 nan 0.000 0.215 266 P C 2.094 179.256 177.300 -0.230 0.000 1.157 266 P CA 2.134 65.014 63.100 -0.368 0.000 0.874 266 P CB -0.359 31.217 31.700 -0.206 0.000 0.790 267 T N -0.230 114.170 114.554 -0.257 0.000 2.708 267 T HA -0.120 4.231 4.350 0.001 0.000 0.266 267 T C 1.805 176.428 174.700 -0.130 0.000 1.037 267 T CA 1.218 63.222 62.100 -0.160 0.000 1.146 267 T CB -1.018 67.756 68.868 -0.155 0.000 0.865 267 T HN 0.054 nan 8.240 nan 0.000 0.435 268 L N 0.834 121.939 121.223 -0.196 0.000 2.017 268 L HA -0.075 4.265 4.340 0.001 0.000 0.208 268 L C 3.103 179.967 176.870 -0.010 0.000 1.073 268 L CA 1.287 56.065 54.840 -0.103 0.000 0.745 268 L CB -0.758 41.204 42.059 -0.163 0.000 0.894 268 L HN 0.239 nan 8.230 nan 0.000 0.432 269 A N 0.226 123.026 122.820 -0.033 0.000 1.908 269 A HA -0.265 4.055 4.320 0.001 0.000 0.218 269 A C 1.991 179.600 177.584 0.043 0.000 1.181 269 A CA 2.197 54.275 52.037 0.068 0.000 0.627 269 A CB -0.776 18.304 19.000 0.133 0.000 0.818 269 A HN 0.474 nan 8.150 nan 0.000 0.445 270 N N -0.321 118.379 118.700 0.001 0.000 2.575 270 N HA -0.020 4.721 4.740 0.001 0.000 0.192 270 N C 0.496 176.014 175.510 0.013 0.000 1.200 270 N CA 0.805 53.852 53.050 -0.005 0.000 0.897 270 N CB -0.184 38.293 38.487 -0.017 0.000 0.990 270 N HN 0.554 nan 8.380 nan 0.000 0.449 271 S N -2.488 113.240 115.700 0.046 0.000 2.726 271 S HA 0.254 4.724 4.470 0.001 0.000 0.308 271 S C 1.111 175.745 174.600 0.055 0.000 1.115 271 S CA -0.182 58.040 58.200 0.037 0.000 0.965 271 S CB 0.920 64.153 63.200 0.054 0.000 1.145 271 S HN 0.182 nan 8.310 nan 0.000 0.532 272 T N -1.272 113.209 114.554 -0.121 0.000 3.148 272 T HA 0.123 4.474 4.350 0.001 0.000 0.253 272 T C 0.386 174.798 174.700 -0.480 0.000 1.134 272 T CA 0.388 62.355 62.100 -0.221 0.000 1.051 272 T CB -0.683 68.012 68.868 -0.289 0.000 0.959 272 T HN 0.728 nan 8.240 nan 0.000 0.525 273 H N 0.794 119.829 119.070 -0.058 0.000 2.487 273 H HA 0.187 4.744 4.556 0.001 0.000 0.290 273 H C 1.326 176.548 175.328 -0.176 0.000 1.081 273 H CA 0.303 56.272 56.048 -0.131 0.000 1.116 273 H CB -0.302 29.427 29.762 -0.054 0.000 1.560 273 H HN 0.805 nan 8.280 nan 0.000 0.548 274 H N -0.860 118.228 119.070 0.029 0.000 2.489 274 H HA -0.055 4.502 4.556 0.001 0.000 0.293 274 H C 1.447 176.785 175.328 0.018 0.000 1.066 274 H CA 0.905 56.961 56.048 0.014 0.000 1.305 274 H CB 0.052 29.815 29.762 0.002 0.000 1.386 274 H HN 0.044 nan 8.280 nan 0.000 0.551 275 N N 0.951 119.456 118.700 -0.325 0.000 2.244 275 N HA -0.057 4.684 4.740 0.001 0.000 0.183 275 N C 0.124 175.597 175.510 -0.061 0.000 1.016 275 N CA 0.642 53.617 53.050 -0.125 0.000 0.866 275 N CB -0.196 38.178 38.487 -0.189 0.000 0.980 275 N HN 0.191 nan 8.380 nan 0.000 0.430 276 V N 3.056 122.934 119.914 -0.059 0.000 2.814 276 V HA -0.087 4.033 4.120 0.001 0.000 0.307 276 V C 0.855 176.853 176.094 -0.159 0.000 1.089 276 V CA 0.316 62.566 62.300 -0.083 0.000 1.212 276 V CB 0.311 32.114 31.823 -0.032 0.000 0.912 276 V HN 0.206 nan 8.190 nan 0.000 0.497 277 R N 3.367 123.675 120.500 -0.319 0.000 2.643 277 R HA 0.667 5.008 4.340 0.001 0.000 0.272 277 R C -0.816 175.267 176.300 -0.363 0.000 0.995 277 R CA -0.992 54.884 56.100 -0.372 0.000 1.032 277 R CB 1.509 31.397 30.300 -0.686 0.000 1.126 277 R HN 0.511 nan 8.270 nan 0.000 0.505 278 L N 1.930 123.006 121.223 -0.244 0.000 2.333 278 L HA 0.434 4.774 4.340 0.001 0.000 0.280 278 L C -1.150 175.605 176.870 -0.191 0.000 1.004 278 L CA -0.330 54.373 54.840 -0.228 0.000 0.820 278 L CB 1.209 43.153 42.059 -0.192 0.000 1.247 278 L HN 0.435 nan 8.230 nan 0.000 0.416 279 L N 5.774 126.853 121.223 -0.240 0.000 2.309 279 L HA 0.570 4.911 4.340 0.001 0.000 0.282 279 L C 0.283 177.054 176.870 -0.165 0.000 1.036 279 L CA -0.711 54.011 54.840 -0.197 0.000 0.806 279 L CB 1.690 43.583 42.059 -0.276 0.000 1.220 279 L HN 0.771 nan 8.230 nan 0.000 0.429 280 M N 1.734 121.259 119.600 -0.125 0.000 2.527 280 M HA 0.545 5.026 4.480 0.001 0.000 0.283 280 M C 0.555 176.768 176.300 -0.145 0.000 1.188 280 M CA -0.351 54.887 55.300 -0.103 0.000 0.941 280 M CB 1.145 33.724 32.600 -0.036 0.000 1.498 280 M HN 0.443 nan 8.290 nan 0.000 0.510 281 L N 0.248 121.368 121.223 -0.171 0.000 4.155 281 L HA -0.367 3.974 4.340 0.001 0.000 0.053 281 L C 0.214 176.803 176.870 -0.468 0.000 4.015 281 L CA 3.060 57.644 54.840 -0.427 0.000 0.957 281 L CB -1.754 40.089 42.059 -0.360 0.000 3.356 281 L HN 1.186 nan 8.230 nan 0.000 0.924 282 D N 0.302 120.472 120.400 -0.383 0.000 2.718 282 D HA -0.090 4.550 4.640 0.001 0.000 0.242 282 D C -0.426 175.371 176.300 -0.838 0.000 1.123 282 D CA 1.324 55.064 54.000 -0.433 0.000 0.690 282 D CB -0.806 39.778 40.800 -0.360 0.000 1.059 282 D HN 0.686 nan 8.370 nan 0.000 0.429 283 D N -0.893 119.054 120.400 -0.755 0.000 2.759 283 D HA 0.141 4.782 4.640 0.001 0.000 0.321 283 D C -0.384 175.643 176.300 -0.456 0.000 1.267 283 D CA -0.427 53.096 54.000 -0.796 0.000 0.933 283 D CB 0.731 41.082 40.800 -0.748 0.000 1.431 283 D HN -0.105 nan 8.370 nan 0.000 0.504 284 Q N 1.078 120.690 119.800 -0.313 0.000 2.315 284 Q HA 0.027 4.368 4.340 0.001 0.000 0.289 284 Q C 1.142 177.057 176.000 -0.142 0.000 1.044 284 Q CA 0.296 56.015 55.803 -0.140 0.000 0.920 284 Q CB 0.452 29.127 28.738 -0.105 0.000 1.214 284 Q HN 0.504 nan 8.270 nan 0.000 0.392 285 R N 3.164 123.620 120.500 -0.072 0.000 2.189 285 R HA -0.109 4.232 4.340 0.001 0.000 0.223 285 R C 1.649 177.916 176.300 -0.054 0.000 1.092 285 R CA 0.891 56.956 56.100 -0.057 0.000 0.989 285 R CB -0.472 29.814 30.300 -0.023 0.000 0.876 285 R HN 0.654 nan 8.270 nan 0.000 0.457 286 L N 0.084 121.268 121.223 -0.065 0.000 2.187 286 L HA -0.107 4.234 4.340 0.001 0.000 0.213 286 L C 1.712 178.575 176.870 -0.012 0.000 1.100 286 L CA 1.646 56.463 54.840 -0.038 0.000 0.765 286 L CB -1.002 41.034 42.059 -0.038 0.000 0.904 286 L HN 0.245 nan 8.230 nan 0.000 0.437 287 L N 0.204 121.398 121.223 -0.048 0.000 2.549 287 L HA 0.049 4.389 4.340 0.001 0.000 0.229 287 L C 1.049 178.000 176.870 0.136 0.000 1.158 287 L CA 0.267 55.110 54.840 0.005 0.000 0.842 287 L CB -0.264 41.641 42.059 -0.258 0.000 0.952 287 L HN 0.248 nan 8.230 nan 0.000 0.452 288 L N -0.756 120.516 121.223 0.082 0.000 2.344 288 L HA 0.262 4.602 4.340 0.001 0.000 0.272 288 L C -1.452 175.495 176.870 0.128 0.000 1.035 288 L CA -1.777 53.139 54.840 0.127 0.000 0.807 288 L CB 1.063 43.166 42.059 0.073 0.000 1.237 288 L HN -0.244 nan 8.230 nan 0.000 0.442 289 P HA -0.088 nan 4.420 nan 0.000 0.220 289 P C 1.251 178.685 177.300 0.224 0.000 1.152 289 P CA 0.872 64.083 63.100 0.186 0.000 0.812 289 P CB 0.157 31.958 31.700 0.169 0.000 0.792 290 H N -1.446 117.706 119.070 0.136 0.000 2.266 290 H HA -0.259 4.297 4.556 0.001 0.000 0.286 290 H C 1.614 177.013 175.328 0.119 0.000 1.102 290 H CA 2.424 58.543 56.048 0.119 0.000 1.182 290 H CB -0.868 28.964 29.762 0.117 0.000 1.345 290 H HN 0.063 nan 8.280 nan 0.000 0.485 291 W N 0.233 121.643 121.300 0.182 0.000 2.321 291 W HA -0.225 4.435 4.660 0.001 0.000 0.306 291 W C 2.898 179.376 176.519 -0.069 0.000 1.217 291 W CA 2.165 59.554 57.345 0.074 0.000 1.257 291 W CB -0.765 28.705 29.460 0.016 0.000 1.145 291 W HN 0.410 nan 8.180 nan 0.000 0.509 292 A N -0.245 122.641 122.820 0.109 0.000 1.902 292 A HA -0.220 4.100 4.320 0.001 0.000 0.217 292 A C 1.915 179.288 177.584 -0.352 0.000 1.181 292 A CA 1.937 53.838 52.037 -0.226 0.000 0.623 292 A CB -0.662 18.147 19.000 -0.319 0.000 0.818 292 A HN 0.302 nan 8.150 nan 0.000 0.443 293 K N -0.500 119.857 120.400 -0.071 0.000 2.009 293 K HA -0.106 4.214 4.320 0.001 0.000 0.210 293 K C 1.923 178.472 176.600 -0.085 0.000 1.049 293 K CA 1.618 57.931 56.287 0.043 0.000 0.929 293 K CB -0.445 32.059 32.500 0.008 0.000 0.714 293 K HN 0.287 nan 8.250 nan 0.000 0.440 294 V N 0.829 120.624 119.914 -0.197 0.000 2.255 294 V HA -0.251 3.869 4.120 0.001 0.000 0.247 294 V C 2.242 178.250 176.094 -0.144 0.000 1.051 294 V CA 1.753 63.938 62.300 -0.192 0.000 1.018 294 V CB -0.393 31.273 31.823 -0.261 0.000 0.641 294 V HN 0.119 nan 8.190 nan 0.000 0.445 295 V N -0.559 119.265 119.914 -0.151 0.000 2.453 295 V HA -0.129 3.992 4.120 0.001 0.000 0.247 295 V C 2.089 178.108 176.094 -0.126 0.000 1.048 295 V CA 1.673 63.903 62.300 -0.116 0.000 1.049 295 V CB -0.398 31.382 31.823 -0.072 0.000 0.672 295 V HN 0.436 nan 8.190 nan 0.000 0.457 296 L N 0.290 121.382 121.223 -0.218 0.000 2.354 296 L HA -0.002 4.339 4.340 0.001 0.000 0.212 296 L C 2.529 179.407 176.870 0.012 0.000 1.091 296 L CA 1.256 55.975 54.840 -0.201 0.000 0.828 296 L CB -0.761 40.951 42.059 -0.579 0.000 0.973 296 L HN 0.492 nan 8.230 nan 0.000 0.461 297 T N -3.589 111.007 114.554 0.070 0.000 3.155 297 T HA -0.122 4.229 4.350 0.001 0.000 0.264 297 T C 0.458 175.174 174.700 0.027 0.000 1.160 297 T CA 0.249 62.410 62.100 0.102 0.000 1.075 297 T CB -0.502 68.425 68.868 0.099 0.000 0.921 297 T HN 0.119 nan 8.240 nan 0.000 0.533 298 D N 1.957 122.355 120.400 -0.003 0.000 2.427 298 D HA 0.320 4.961 4.640 0.001 0.000 0.226 298 D C -1.407 174.883 176.300 -0.016 0.000 1.076 298 D CA -2.810 51.183 54.000 -0.012 0.000 0.849 298 D CB 1.828 42.617 40.800 -0.019 0.000 1.052 298 D HN -0.069 nan 8.370 nan 0.000 0.515 299 P HA -0.202 nan 4.420 nan 0.000 0.217 299 P C 0.841 178.104 177.300 -0.062 0.000 1.148 299 P CA 1.051 64.128 63.100 -0.038 0.000 0.828 299 P CB 0.452 32.130 31.700 -0.037 0.000 0.783 300 E N 0.042 120.220 120.200 -0.037 0.000 2.077 300 E HA -0.128 4.222 4.350 0.001 0.000 0.193 300 E C 2.145 178.764 176.600 0.031 0.000 0.989 300 E CA 1.512 57.901 56.400 -0.018 0.000 0.800 300 E CB -1.058 28.653 29.700 0.018 0.000 0.746 300 E HN 0.257 nan 8.360 nan 0.000 0.452 301 A N 1.744 124.580 122.820 0.027 0.000 1.832 301 A HA 0.067 4.388 4.320 0.001 0.000 0.214 301 A C 2.496 180.091 177.584 0.018 0.000 1.204 301 A CA 1.961 54.027 52.037 0.048 0.000 0.606 301 A CB -0.992 18.012 19.000 0.006 0.000 0.849 301 A HN 0.252 nan 8.150 nan 0.000 0.445 302 A N 1.143 123.944 122.820 -0.031 0.000 1.940 302 A HA -0.323 3.997 4.320 0.001 0.000 0.221 302 A C 2.036 179.575 177.584 -0.075 0.000 1.190 302 A CA 2.862 54.870 52.037 -0.050 0.000 0.647 302 A CB -0.773 18.206 19.000 -0.036 0.000 0.821 302 A HN 0.768 nan 8.150 nan 0.000 0.457 303 K N -1.635 118.676 120.400 -0.150 0.000 2.211 303 K HA -0.155 4.165 4.320 0.001 0.000 0.204 303 K C 1.288 177.705 176.600 -0.305 0.000 1.047 303 K CA 1.992 58.117 56.287 -0.271 0.000 0.935 303 K CB -0.557 31.702 32.500 -0.403 0.000 0.728 303 K HN 0.577 nan 8.250 nan 0.000 0.452 304 Y N 0.558 120.819 120.300 -0.064 0.000 2.457 304 Y HA 0.247 4.797 4.550 0.001 0.000 0.263 304 Y C 0.088 175.941 175.900 -0.078 0.000 1.164 304 Y CA -0.794 57.260 58.100 -0.078 0.000 1.274 304 Y CB 0.874 39.264 38.460 -0.118 0.000 1.097 304 Y HN -0.199 nan 8.280 nan 0.000 0.523 305 V N 0.727 120.672 119.914 0.051 0.000 2.383 305 V HA 0.033 4.154 4.120 0.001 0.000 0.275 305 V C 0.684 176.791 176.094 0.022 0.000 1.036 305 V CA -0.306 61.999 62.300 0.009 0.000 0.889 305 V CB 1.062 32.863 31.823 -0.037 0.000 0.985 305 V HN 0.344 nan 8.190 nan 0.000 0.459 306 H N 3.793 122.820 119.070 -0.072 0.000 2.497 306 H HA 0.426 4.983 4.556 0.001 0.000 0.282 306 H C 0.752 176.055 175.328 -0.042 0.000 1.003 306 H CA 1.017 57.032 56.048 -0.055 0.000 1.307 306 H CB 0.636 30.345 29.762 -0.088 0.000 1.437 306 H HN 0.747 nan 8.280 nan 0.000 0.544 307 G N -0.467 108.323 108.800 -0.018 0.000 2.660 307 G HA2 0.470 4.430 3.960 0.001 0.000 0.290 307 G HA3 0.470 4.430 3.960 0.001 0.000 0.290 307 G C -1.683 173.191 174.900 -0.043 0.000 1.432 307 G CA -0.777 44.303 45.100 -0.032 0.000 0.807 307 G HN 0.155 nan 8.290 nan 0.000 0.485 308 I N 1.096 121.652 120.570 -0.023 0.000 2.418 308 I HA 0.565 4.736 4.170 0.001 0.000 0.287 308 I C 0.484 176.594 176.117 -0.012 0.000 1.008 308 I CA -0.776 60.500 61.300 -0.040 0.000 1.104 308 I CB 2.018 39.998 38.000 -0.033 0.000 1.264 308 I HN 0.623 nan 8.210 nan 0.000 0.438 309 A N 6.650 129.438 122.820 -0.053 0.000 2.309 309 A HA 0.805 5.126 4.320 0.001 0.000 0.298 309 A C -0.287 177.272 177.584 -0.042 0.000 1.165 309 A CA -0.457 51.578 52.037 -0.003 0.000 0.821 309 A CB 0.931 19.897 19.000 -0.056 0.000 1.102 309 A HN 0.612 nan 8.150 nan 0.000 0.500 310 V N 0.436 120.360 119.914 0.016 0.000 2.914 310 V HA 0.629 4.749 4.120 0.001 0.000 0.314 310 V C -0.443 175.743 176.094 0.152 0.000 1.084 310 V CA -0.799 61.509 62.300 0.013 0.000 0.963 310 V CB 1.358 33.188 31.823 0.012 0.000 1.025 310 V HN 0.930 nan 8.190 nan 0.000 0.432 311 H N 1.606 120.616 119.070 -0.100 0.000 2.533 311 H HA 0.336 4.893 4.556 0.001 0.000 0.343 311 H C -0.713 174.691 175.328 0.126 0.000 1.160 311 H CA -0.493 55.511 56.048 -0.073 0.000 1.218 311 H CB 2.120 31.820 29.762 -0.105 0.000 1.566 311 H HN 0.792 nan 8.280 nan 0.000 0.522 312 W N 0.717 122.020 121.300 0.006 0.000 2.640 312 W HA -0.078 4.582 4.660 0.001 0.000 0.271 312 W C 1.869 178.362 176.519 -0.043 0.000 1.218 312 W CA -0.187 57.134 57.345 -0.041 0.000 1.382 312 W CB -0.911 28.505 29.460 -0.074 0.000 1.067 312 W HN 0.675 nan 8.180 nan 0.000 0.590 313 Y N 1.195 121.590 120.300 0.158 0.000 2.143 313 Y HA -0.432 4.118 4.550 0.001 0.000 0.226 313 Y C 2.043 177.872 175.900 -0.119 0.000 1.288 313 Y CA 2.711 60.870 58.100 0.098 0.000 0.998 313 Y CB -1.091 37.460 38.460 0.151 0.000 0.792 313 Y HN -0.180 nan 8.280 nan 0.000 0.532 314 L N -1.441 119.596 121.223 -0.311 0.000 1.851 314 L HA -0.126 4.215 4.340 0.001 0.000 0.228 314 L C 1.843 178.030 176.870 -1.138 0.000 1.095 314 L CA 1.158 55.509 54.840 -0.815 0.000 1.147 314 L CB -0.684 41.172 42.059 -0.339 0.000 1.019 314 L HN 0.286 nan 8.230 nan 0.000 0.580 315 D N -1.832 118.214 120.400 -0.590 0.000 3.429 315 D HA -0.287 4.353 4.640 0.001 0.000 0.200 315 D C 1.124 177.242 176.300 -0.304 0.000 1.351 315 D CA 2.227 55.990 54.000 -0.395 0.000 2.227 315 D CB -1.258 39.346 40.800 -0.327 0.000 1.277 315 D HN 0.443 nan 8.370 nan 0.000 0.455 316 F N 0.540 120.469 119.950 -0.035 0.000 2.373 316 F HA 0.076 4.604 4.527 0.001 0.000 0.300 316 F C 1.986 177.777 175.800 -0.015 0.000 1.080 316 F CA 0.546 58.531 58.000 -0.025 0.000 1.417 316 F CB -0.760 38.226 39.000 -0.024 0.000 1.070 316 F HN 0.108 nan 8.300 nan 0.000 0.546 317 L N -0.037 121.259 121.223 0.122 0.000 2.599 317 L HA 0.257 4.598 4.340 0.001 0.000 0.230 317 L C 1.973 178.857 176.870 0.024 0.000 1.141 317 L CA 0.091 54.990 54.840 0.099 0.000 0.877 317 L CB -1.040 41.065 42.059 0.076 0.000 1.009 317 L HN 0.307 nan 8.230 nan 0.000 0.447 318 A N 1.106 123.919 122.820 -0.011 0.000 3.988 318 A HA 0.466 4.787 4.320 0.001 0.000 0.172 318 A C -1.398 176.176 177.584 -0.017 0.000 1.739 318 A CA 0.091 52.110 52.037 -0.029 0.000 1.323 318 A CB -1.209 17.750 19.000 -0.068 0.000 1.178 318 A HN 0.188 nan 8.150 nan 0.000 0.402 319 P HA 0.575 nan 4.420 nan 0.000 0.346 319 P C 0.680 177.883 177.300 -0.162 0.000 1.263 319 P CA 0.522 63.575 63.100 -0.078 0.000 0.777 319 P CB 0.970 32.639 31.700 -0.052 0.000 1.541 320 A N -0.463 122.194 122.820 -0.270 0.000 1.902 320 A HA -0.151 4.169 4.320 0.001 0.000 0.217 320 A C 2.296 179.469 177.584 -0.684 0.000 1.181 320 A CA 1.984 53.726 52.037 -0.491 0.000 0.623 320 A CB -1.143 17.467 19.000 -0.649 0.000 0.818 320 A HN 0.600 nan 8.150 nan 0.000 0.443 321 K N -0.322 119.667 120.400 -0.685 0.000 2.009 321 K HA -0.131 4.190 4.320 0.001 0.000 0.210 321 K C 2.131 178.641 176.600 -0.150 0.000 1.049 321 K CA 1.320 57.356 56.287 -0.418 0.000 0.929 321 K CB -0.343 32.075 32.500 -0.137 0.000 0.714 321 K HN 0.373 nan 8.250 nan 0.000 0.440 322 A N 0.275 123.033 122.820 -0.102 0.000 2.070 322 A HA -0.151 4.170 4.320 0.001 0.000 0.220 322 A C 1.954 179.530 177.584 -0.013 0.000 1.159 322 A CA 2.239 54.258 52.037 -0.030 0.000 0.656 322 A CB -0.606 18.384 19.000 -0.017 0.000 0.800 322 A HN 0.677 nan 8.150 nan 0.000 0.453 323 T N -3.015 111.508 114.554 -0.052 0.000 3.391 323 T HA 0.198 4.549 4.350 0.001 0.000 0.233 323 T C 1.786 176.503 174.700 0.027 0.000 0.960 323 T CA 0.562 62.657 62.100 -0.008 0.000 1.342 323 T CB -0.731 68.118 68.868 -0.031 0.000 1.124 323 T HN 0.132 nan 8.240 nan 0.000 0.396 324 L N 1.573 122.795 121.223 -0.002 0.000 2.083 324 L HA 0.120 4.461 4.340 0.001 0.000 0.209 324 L C 3.089 180.072 176.870 0.189 0.000 1.083 324 L CA 1.575 56.465 54.840 0.084 0.000 0.752 324 L CB -1.208 40.896 42.059 0.075 0.000 0.899 324 L HN 0.579 nan 8.230 nan 0.000 0.433 325 G N -0.145 108.717 108.800 0.104 0.000 2.453 325 G HA2 -0.310 3.650 3.960 0.001 0.000 0.215 325 G HA3 -0.310 3.650 3.960 0.001 0.000 0.215 325 G C 1.452 176.499 174.900 0.244 0.000 1.201 325 G CA 0.845 46.103 45.100 0.264 0.000 0.784 325 G HN 0.302 nan 8.290 nan 0.000 0.545 326 E N -0.103 120.181 120.200 0.140 0.000 2.153 326 E HA -0.065 4.285 4.350 0.001 0.000 0.194 326 E C 2.672 179.358 176.600 0.143 0.000 0.988 326 E CA 1.533 58.004 56.400 0.117 0.000 0.811 326 E CB -0.282 29.469 29.700 0.086 0.000 0.746 326 E HN 0.372 nan 8.360 nan 0.000 0.466 327 T N -0.614 114.052 114.554 0.187 0.000 2.857 327 T HA -0.134 4.216 4.350 0.001 0.000 0.266 327 T C 1.550 176.408 174.700 0.263 0.000 1.048 327 T CA 1.108 63.361 62.100 0.254 0.000 1.139 327 T CB -0.388 68.607 68.868 0.212 0.000 0.874 327 T HN 0.373 nan 8.240 nan 0.000 0.455 328 H N 1.537 120.670 119.070 0.105 0.000 2.267 328 H HA -0.078 4.479 4.556 0.001 0.000 0.297 328 H C 2.685 177.992 175.328 -0.034 0.000 1.080 328 H CA 1.846 57.885 56.048 -0.014 0.000 1.278 328 H CB -0.075 29.542 29.762 -0.243 0.000 1.365 328 H HN 0.175 nan 8.280 nan 0.000 0.489 329 R N 0.187 120.638 120.500 -0.080 0.000 2.133 329 R HA -0.191 4.149 4.340 0.001 0.000 0.245 329 R C 2.777 178.936 176.300 -0.235 0.000 1.137 329 R CA 2.158 58.175 56.100 -0.140 0.000 0.947 329 R CB -0.284 30.008 30.300 -0.015 0.000 0.865 329 R HN 0.352 nan 8.270 nan 0.000 0.437 330 L N -1.097 119.987 121.223 -0.233 0.000 2.156 330 L HA -0.047 4.293 4.340 0.001 0.000 0.208 330 L C 0.287 176.573 176.870 -0.973 0.000 1.095 330 L CA 0.773 55.272 54.840 -0.568 0.000 0.770 330 L CB 0.097 41.817 42.059 -0.565 0.000 0.914 330 L HN 0.100 nan 8.230 nan 0.000 0.439 331 F N -1.114 118.769 119.950 -0.111 0.000 2.769 331 F HA 0.315 4.842 4.527 0.001 0.000 0.358 331 F C -2.048 173.650 175.800 -0.171 0.000 1.285 331 F CA -1.609 56.327 58.000 -0.106 0.000 1.199 331 F CB 0.479 39.447 39.000 -0.054 0.000 1.558 331 F HN -0.207 nan 8.300 nan 0.000 0.583 332 P HA 0.039 nan 4.420 nan 0.000 0.249 332 P C 0.479 177.729 177.300 -0.084 0.000 1.229 332 P CA 0.782 63.652 63.100 -0.383 0.000 0.788 332 P CB 0.347 31.773 31.700 -0.455 0.000 1.072 333 N N -0.923 117.772 118.700 -0.008 0.000 2.238 333 N HA 0.082 4.822 4.740 0.001 0.000 0.222 333 N C -0.284 175.229 175.510 0.005 0.000 1.133 333 N CA 0.370 53.428 53.050 0.013 0.000 0.854 333 N CB 0.519 39.007 38.487 0.002 0.000 1.041 333 N HN 0.032 nan 8.380 nan 0.000 0.510 334 T N 2.220 116.798 114.554 0.040 0.000 2.772 334 T HA 0.343 4.693 4.350 0.001 0.000 0.288 334 T C 0.488 175.203 174.700 0.024 0.000 0.994 334 T CA -0.716 61.379 62.100 -0.009 0.000 0.951 334 T CB 1.126 69.989 68.868 -0.009 0.000 0.933 334 T HN 0.088 nan 8.240 nan 0.000 0.447 335 M N 3.263 122.837 119.600 -0.044 0.000 2.240 335 M HA 0.565 5.045 4.480 0.001 0.000 0.333 335 M C -1.024 175.316 176.300 0.067 0.000 1.110 335 M CA 0.031 55.350 55.300 0.032 0.000 1.173 335 M CB -0.046 32.571 32.600 0.028 0.000 1.458 335 M HN 0.365 nan 8.290 nan 0.000 0.458 336 L N 2.780 124.056 121.223 0.089 0.000 2.346 336 L HA 0.718 5.058 4.340 0.001 0.000 0.276 336 L C -1.387 175.505 176.870 0.036 0.000 1.006 336 L CA -0.342 54.539 54.840 0.068 0.000 0.817 336 L CB 1.609 43.709 42.059 0.069 0.000 1.272 336 L HN 0.859 nan 8.230 nan 0.000 0.421 337 F N 2.435 122.277 119.950 -0.179 0.000 2.574 337 F HA 0.669 5.197 4.527 0.001 0.000 0.313 337 F C -0.400 175.164 175.800 -0.393 0.000 1.130 337 F CA -0.667 57.151 58.000 -0.303 0.000 0.936 337 F CB 1.522 40.450 39.000 -0.119 0.000 1.219 337 F HN 0.434 nan 8.300 nan 0.000 0.445 338 A N 3.731 125.863 122.820 -1.146 0.000 2.415 338 A HA 0.400 4.721 4.320 0.001 0.000 0.309 338 A C 0.735 177.971 177.584 -0.580 0.000 1.356 338 A CA 0.277 51.836 52.037 -0.796 0.000 0.998 338 A CB -0.180 18.227 19.000 -0.990 0.000 1.145 338 A HN 0.985 nan 8.150 nan 0.000 0.545 339 S N 1.425 117.086 115.700 -0.065 0.000 2.501 339 S HA 0.086 4.557 4.470 0.001 0.000 0.220 339 S C 0.457 174.892 174.600 -0.275 0.000 0.997 339 S CA 0.699 58.946 58.200 0.078 0.000 0.919 339 S CB 0.044 63.338 63.200 0.157 0.000 0.778 339 S HN 0.758 nan 8.310 nan 0.000 0.523 340 E N 0.403 120.251 120.200 -0.588 0.000 2.642 340 E HA 0.539 4.890 4.350 0.001 0.000 0.284 340 E C -1.542 174.594 176.600 -0.773 0.000 1.039 340 E CA -0.317 55.577 56.400 -0.844 0.000 0.777 340 E CB 1.255 30.018 29.700 -1.561 0.000 1.473 340 E HN 0.367 nan 8.360 nan 0.000 0.388 341 A N 3.475 125.802 122.820 -0.822 0.000 2.412 341 A HA 0.596 4.916 4.320 0.001 0.000 0.334 341 A C -0.669 176.582 177.584 -0.556 0.000 1.419 341 A CA -0.459 50.762 52.037 -1.360 0.000 0.930 341 A CB 0.174 18.036 19.000 -1.896 0.000 1.149 341 A HN 0.620 nan 8.150 nan 0.000 0.515 342 C N 1.905 121.148 119.300 -0.095 0.000 3.241 342 C HA 0.765 5.226 4.460 0.001 0.000 0.348 342 C C -1.741 173.444 174.990 0.325 0.000 1.180 342 C CA -0.138 58.956 59.018 0.126 0.000 1.273 342 C CB 0.824 28.647 27.740 0.138 0.000 1.620 342 C HN 1.486 nan 8.230 nan 0.000 0.510 343 V N 2.915 123.051 119.914 0.370 0.000 2.766 343 V HA 0.606 4.726 4.120 0.001 0.000 0.286 343 V C 0.380 176.647 176.094 0.288 0.000 1.237 343 V CA 0.336 62.866 62.300 0.383 0.000 0.934 343 V CB 0.683 32.701 31.823 0.325 0.000 1.068 343 V HN 1.406 nan 8.190 nan 0.000 0.451 344 G N 1.222 110.169 108.800 0.246 0.000 3.189 344 G HA2 0.392 4.353 3.960 0.001 0.000 0.225 344 G HA3 0.392 4.353 3.960 0.001 0.000 0.225 344 G C 0.546 175.524 174.900 0.130 0.000 1.159 344 G CA 0.620 45.799 45.100 0.132 0.000 0.763 344 G HN 0.992 nan 8.290 nan 0.000 0.549 345 S N -0.237 115.587 115.700 0.206 0.000 2.848 345 S HA -0.214 4.257 4.470 0.001 0.000 0.633 345 S C 0.355 174.906 174.600 -0.081 0.000 3.136 345 S CA 0.881 59.130 58.200 0.081 0.000 3.383 345 S CB -0.396 62.817 63.200 0.021 0.000 0.331 345 S HN 0.714 nan 8.310 nan 0.000 1.769 346 K N 1.751 121.976 120.400 -0.290 0.000 2.396 346 K HA -0.206 4.115 4.320 0.001 0.000 0.248 346 K C 1.089 177.212 176.600 -0.794 0.000 1.076 346 K CA 1.094 56.975 56.287 -0.678 0.000 1.162 346 K CB -0.829 30.913 32.500 -1.264 0.000 0.743 346 K HN 0.613 nan 8.250 nan 0.000 0.490 347 F N 1.670 121.350 119.950 -0.451 0.000 2.287 347 F HA -0.144 4.384 4.527 0.001 0.000 0.301 347 F C 1.286 177.079 175.800 -0.013 0.000 1.069 347 F CA 0.410 58.340 58.000 -0.116 0.000 1.372 347 F CB -0.481 38.564 39.000 0.076 0.000 1.056 347 F HN 0.555 nan 8.300 nan 0.000 0.523 348 W N 1.547 122.631 121.300 -0.360 0.000 3.388 348 W HA 0.453 5.113 4.660 0.001 0.000 0.324 348 W C -0.353 176.116 176.519 -0.084 0.000 1.250 348 W CA -0.752 56.469 57.345 -0.206 0.000 1.809 348 W CB -1.414 27.816 29.460 -0.383 0.000 1.083 348 W HN 0.166 nan 8.180 nan 0.000 0.685 349 E N 1.183 121.270 120.200 -0.188 0.000 2.227 349 E HA 0.161 4.512 4.350 0.001 0.000 0.268 349 E C 0.004 176.579 176.600 -0.042 0.000 0.907 349 E CA -0.763 55.557 56.400 -0.132 0.000 0.786 349 E CB 2.039 31.540 29.700 -0.332 0.000 1.191 349 E HN -0.155 nan 8.360 nan 0.000 0.411 350 Q N 0.765 120.562 119.800 -0.004 0.000 2.414 350 Q HA -0.021 4.319 4.340 0.001 0.000 0.288 350 Q C 0.825 176.815 176.000 -0.016 0.000 1.086 350 Q CA 0.355 56.165 55.803 0.012 0.000 0.943 350 Q CB 0.846 29.598 28.738 0.023 0.000 1.282 350 Q HN 0.608 nan 8.270 nan 0.000 0.438 351 S N 0.567 116.281 115.700 0.024 0.000 2.359 351 S HA -0.120 4.351 4.470 0.001 0.000 0.222 351 S C 0.659 175.240 174.600 -0.032 0.000 1.038 351 S CA 0.850 59.062 58.200 0.020 0.000 1.051 351 S CB 0.139 63.367 63.200 0.046 0.000 0.944 351 S HN 0.456 nan 8.310 nan 0.000 0.433 352 V N 2.420 122.306 119.914 -0.047 0.000 2.394 352 V HA 0.363 4.484 4.120 0.001 0.000 0.282 352 V C 0.048 176.040 176.094 -0.170 0.000 1.031 352 V CA -0.378 61.867 62.300 -0.092 0.000 0.881 352 V CB 1.256 33.036 31.823 -0.072 0.000 0.982 352 V HN 0.240 nan 8.190 nan 0.000 0.451 353 R N 4.797 125.128 120.500 -0.280 0.000 2.275 353 R HA 0.463 4.804 4.340 0.001 0.000 0.326 353 R C -1.055 175.020 176.300 -0.375 0.000 0.973 353 R CA -0.704 55.040 56.100 -0.593 0.000 0.854 353 R CB 1.292 31.069 30.300 -0.872 0.000 1.156 353 R HN 0.596 nan 8.270 nan 0.000 0.487 354 L N 2.775 123.878 121.223 -0.200 0.000 2.600 354 L HA 0.149 4.489 4.340 0.001 0.000 0.278 354 L C 1.185 178.124 176.870 0.115 0.000 1.139 354 L CA 0.739 55.469 54.840 -0.183 0.000 0.933 354 L CB 0.653 42.268 42.059 -0.740 0.000 1.266 354 L HN 1.020 nan 8.230 nan 0.000 0.471 355 G N 1.512 110.364 108.800 0.086 0.000 2.151 355 G HA2 -0.226 3.734 3.960 0.001 0.000 0.156 355 G HA3 -0.226 3.734 3.960 0.001 0.000 0.156 355 G C 0.166 175.205 174.900 0.231 0.000 1.017 355 G CA -0.050 45.174 45.100 0.207 0.000 0.686 355 G HN 0.650 nan 8.290 nan 0.000 0.503 356 S N -0.029 115.737 115.700 0.111 0.000 2.474 356 S HA 0.349 4.819 4.470 0.001 0.000 0.276 356 S C 1.177 175.869 174.600 0.153 0.000 1.227 356 S CA 0.287 58.541 58.200 0.090 0.000 1.050 356 S CB 0.328 63.469 63.200 -0.098 0.000 0.939 356 S HN 0.502 nan 8.310 nan 0.000 0.490 357 W N 4.357 125.664 121.300 0.012 0.000 2.453 357 W HA -0.090 4.570 4.660 0.001 0.000 0.289 357 W C 1.259 177.760 176.519 -0.030 0.000 1.215 357 W CA 1.356 58.712 57.345 0.018 0.000 1.297 357 W CB -0.419 29.038 29.460 -0.005 0.000 1.113 357 W HN 0.890 nan 8.180 nan 0.000 0.551 358 D N 0.099 120.545 120.400 0.076 0.000 2.133 358 D HA -0.250 4.390 4.640 0.001 0.000 0.192 358 D C 2.218 178.452 176.300 -0.109 0.000 1.001 358 D CA 2.278 56.270 54.000 -0.014 0.000 0.844 358 D CB -0.049 40.757 40.800 0.010 0.000 0.944 358 D HN 0.094 nan 8.370 nan 0.000 0.447 359 R N -0.826 119.606 120.500 -0.112 0.000 2.153 359 R HA 0.118 4.459 4.340 0.001 0.000 0.218 359 R C 2.407 178.600 176.300 -0.177 0.000 1.072 359 R CA 0.871 56.923 56.100 -0.079 0.000 0.990 359 R CB -0.163 30.113 30.300 -0.040 0.000 0.889 359 R HN 0.172 nan 8.270 nan 0.000 0.452 360 G N 1.106 109.643 108.800 -0.438 0.000 2.404 360 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 360 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 360 G C 1.452 175.550 174.900 -1.337 0.000 1.174 360 G CA 0.387 44.952 45.100 -0.891 0.000 0.780 360 G HN 0.116 nan 8.290 nan 0.000 0.537 361 M N 0.076 119.034 119.600 -1.070 0.000 2.202 361 M HA -0.123 4.357 4.480 0.001 0.000 0.262 361 M C 2.754 178.969 176.300 -0.143 0.000 1.063 361 M CA 1.343 56.369 55.300 -0.457 0.000 1.097 361 M CB -0.261 32.221 32.600 -0.197 0.000 1.382 361 M HN 0.304 nan 8.290 nan 0.000 0.413 362 Q N -0.867 118.874 119.800 -0.099 0.000 2.046 362 Q HA -0.176 4.165 4.340 0.001 0.000 0.200 362 Q C 1.859 177.886 176.000 0.044 0.000 0.975 362 Q CA 1.520 57.329 55.803 0.010 0.000 0.836 362 Q CB -0.228 28.541 28.738 0.051 0.000 0.896 362 Q HN 0.455 nan 8.270 nan 0.000 0.428 363 Y N 1.039 121.310 120.300 -0.048 0.000 2.069 363 Y HA -0.325 4.226 4.550 0.001 0.000 0.278 363 Y C 2.863 178.741 175.900 -0.038 0.000 1.175 363 Y CA 1.844 59.981 58.100 0.060 0.000 1.134 363 Y CB -0.547 37.989 38.460 0.127 0.000 0.965 363 Y HN 0.202 nan 8.280 nan 0.000 0.498 364 S N -1.436 114.378 115.700 0.191 0.000 2.371 364 S HA -0.225 4.245 4.470 0.001 0.000 0.224 364 S C 2.016 176.658 174.600 0.071 0.000 1.029 364 S CA 1.201 59.545 58.200 0.241 0.000 0.978 364 S CB -0.982 62.574 63.200 0.593 0.000 0.833 364 S HN 0.639 nan 8.310 nan 0.000 0.466 365 H N 2.170 121.228 119.070 -0.021 0.000 2.353 365 H HA -0.108 4.449 4.556 0.001 0.000 0.298 365 H C 2.174 177.369 175.328 -0.220 0.000 1.103 365 H CA 1.966 57.971 56.048 -0.072 0.000 1.293 365 H CB -0.326 29.396 29.762 -0.066 0.000 1.372 365 H HN 0.621 nan 8.280 nan 0.000 0.501 366 S N -0.440 115.014 115.700 -0.410 0.000 2.528 366 S HA 0.056 4.527 4.470 0.001 0.000 0.219 366 S C 2.151 176.255 174.600 -0.825 0.000 0.985 366 S CA 0.174 57.927 58.200 -0.746 0.000 0.914 366 S CB -0.295 62.302 63.200 -1.006 0.000 0.776 366 S HN 0.410 nan 8.310 nan 0.000 0.526 367 I N 1.039 121.160 120.570 -0.748 0.000 2.406 367 I HA -0.005 4.166 4.170 0.001 0.000 0.249 367 I C 2.206 177.900 176.117 -0.706 0.000 1.122 367 I CA 0.810 61.488 61.300 -1.038 0.000 1.431 367 I CB -0.229 36.926 38.000 -1.408 0.000 1.087 367 I HN 0.291 nan 8.210 nan 0.000 0.424 368 I N 0.335 120.641 120.570 -0.440 0.000 2.142 368 I HA -0.289 3.881 4.170 0.001 0.000 0.240 368 I C 2.533 178.514 176.117 -0.226 0.000 1.078 368 I CA 1.641 62.819 61.300 -0.203 0.000 1.343 368 I CB -0.723 37.249 38.000 -0.047 0.000 1.046 368 I HN 0.188 nan 8.210 nan 0.000 0.405 369 T N 0.636 114.988 114.554 -0.337 0.000 2.737 369 T HA -0.200 4.150 4.350 0.001 0.000 0.269 369 T C 1.672 176.374 174.700 0.003 0.000 1.040 369 T CA 1.582 63.570 62.100 -0.187 0.000 1.142 369 T CB -0.476 68.214 68.868 -0.297 0.000 0.861 369 T HN 0.381 nan 8.240 nan 0.000 0.456 370 N N 0.522 119.218 118.700 -0.007 0.000 2.244 370 N HA 0.043 4.783 4.740 0.001 0.000 0.183 370 N C 1.839 177.535 175.510 0.311 0.000 1.016 370 N CA 0.768 54.019 53.050 0.335 0.000 0.866 370 N CB -0.127 39.058 38.487 1.164 0.000 0.980 370 N HN 0.332 nan 8.380 nan 0.000 0.430 371 L N 0.974 122.277 121.223 0.133 0.000 2.072 371 L HA -0.063 4.278 4.340 0.001 0.000 0.205 371 L C 2.127 178.927 176.870 -0.117 0.000 1.079 371 L CA 0.647 55.539 54.840 0.087 0.000 0.752 371 L CB -0.250 41.841 42.059 0.054 0.000 0.906 371 L HN 0.119 nan 8.230 nan 0.000 0.436 372 L N -1.557 119.533 121.223 -0.221 0.000 2.353 372 L HA -0.209 4.132 4.340 0.001 0.000 0.220 372 L C 0.789 177.159 176.870 -0.833 0.000 1.133 372 L CA 1.144 55.675 54.840 -0.515 0.000 0.798 372 L CB -0.262 41.504 42.059 -0.489 0.000 0.922 372 L HN 0.276 nan 8.230 nan 0.000 0.445 373 Y N -1.560 118.553 120.300 -0.312 0.000 2.713 373 Y HA 0.218 4.768 4.550 0.001 0.000 0.269 373 Y C 0.472 176.222 175.900 -0.250 0.000 1.106 373 Y CA -0.454 57.417 58.100 -0.381 0.000 1.174 373 Y CB -0.007 38.380 38.460 -0.122 0.000 1.186 373 Y HN 0.138 nan 8.280 nan 0.000 0.555 374 H N -3.422 115.635 119.070 -0.023 0.000 3.819 374 H HA -0.137 4.420 4.556 0.001 0.000 0.150 374 H C 0.175 175.488 175.328 -0.024 0.000 0.791 374 H CA 0.443 56.431 56.048 -0.100 0.000 1.246 374 H CB -1.496 28.106 29.762 -0.268 0.000 0.824 374 H HN 0.044 nan 8.280 nan 0.000 0.490 375 V N 2.989 122.979 119.914 0.126 0.000 2.673 375 V HA 0.046 4.166 4.120 0.001 0.000 0.303 375 V C 2.003 178.078 176.094 -0.033 0.000 1.046 375 V CA 0.903 63.194 62.300 -0.015 0.000 1.126 375 V CB 1.459 33.190 31.823 -0.153 0.000 0.934 375 V HN 0.350 nan 8.190 nan 0.000 0.487 376 V N 1.214 121.038 119.914 -0.151 0.000 3.621 376 V HA 0.693 4.814 4.120 0.001 0.000 0.285 376 V C 0.638 176.551 176.094 -0.301 0.000 1.346 376 V CA 0.875 63.124 62.300 -0.085 0.000 1.104 376 V CB -0.067 31.787 31.823 0.051 0.000 0.913 376 V HN 1.018 nan 8.190 nan 0.000 0.432 377 G N -0.824 107.424 108.800 -0.920 0.000 2.576 377 G HA2 0.523 4.484 3.960 0.001 0.000 0.290 377 G HA3 0.523 4.484 3.960 0.001 0.000 0.290 377 G C -2.495 170.724 174.900 -2.802 0.000 1.442 377 G CA -0.765 43.459 45.100 -1.460 0.000 0.792 377 G HN 0.280 nan 8.290 nan 0.000 0.491 378 W N 0.299 120.915 121.300 -1.140 0.000 2.687 378 W HA 0.562 5.222 4.660 0.001 0.000 0.328 378 W C -0.215 175.937 176.519 -0.612 0.000 1.012 378 W CA -0.838 56.001 57.345 -0.842 0.000 1.262 378 W CB 2.122 31.261 29.460 -0.534 0.000 1.331 378 W HN 0.438 nan 8.180 nan 0.000 0.433 379 T N 3.416 117.725 114.554 -0.409 0.000 2.762 379 T HA 0.047 4.397 4.350 0.001 0.000 0.303 379 T C 0.002 174.545 174.700 -0.261 0.000 0.977 379 T CA -0.202 61.788 62.100 -0.183 0.000 0.961 379 T CB 0.067 68.962 68.868 0.045 0.000 0.944 379 T HN 0.302 nan 8.240 nan 0.000 0.481 380 D N 2.231 122.533 120.400 -0.164 0.000 2.364 380 D HA -0.020 4.620 4.640 0.001 0.000 0.236 380 D C 0.685 177.035 176.300 0.083 0.000 1.221 380 D CA -0.107 53.871 54.000 -0.037 0.000 0.891 380 D CB 0.779 41.673 40.800 0.156 0.000 1.190 380 D HN 0.563 nan 8.370 nan 0.000 0.449 381 W N 1.259 122.486 121.300 -0.123 0.000 1.612 381 W HA -0.016 4.645 4.660 0.001 0.000 0.598 381 W C 0.783 177.212 176.519 -0.149 0.000 1.737 381 W CA -0.696 56.556 57.345 -0.155 0.000 1.901 381 W CB 0.017 29.353 29.460 -0.206 0.000 2.926 381 W HN 0.277 nan 8.180 nan 0.000 0.813 382 N N 2.700 121.192 118.700 -0.346 0.000 2.301 382 N HA -0.127 4.613 4.740 0.001 0.000 0.267 382 N C 0.959 176.362 175.510 -0.178 0.000 1.304 382 N CA 0.522 53.281 53.050 -0.485 0.000 0.851 382 N CB 0.685 38.678 38.487 -0.823 0.000 1.070 382 N HN 0.348 nan 8.380 nan 0.000 0.483 383 L N 1.202 122.357 121.223 -0.113 0.000 2.043 383 L HA -0.187 4.153 4.340 0.001 0.000 0.212 383 L C 1.127 178.057 176.870 0.099 0.000 1.075 383 L CA 1.273 56.095 54.840 -0.031 0.000 0.752 383 L CB -0.210 41.844 42.059 -0.009 0.000 0.891 383 L HN 0.599 nan 8.230 nan 0.000 0.432 384 A N -1.055 121.758 122.820 -0.011 0.000 2.572 384 A HA 0.765 5.085 4.320 0.001 0.000 0.295 384 A C -1.219 176.319 177.584 -0.077 0.000 1.072 384 A CA -0.468 51.560 52.037 -0.014 0.000 0.691 384 A CB 1.688 20.678 19.000 -0.018 0.000 1.291 384 A HN 0.024 nan 8.150 nan 0.000 0.404 385 L N 1.315 122.511 121.223 -0.044 0.000 2.393 385 L HA 0.407 4.747 4.340 0.001 0.000 0.260 385 L C -0.055 176.820 176.870 0.009 0.000 1.002 385 L CA -1.162 53.656 54.840 -0.036 0.000 0.818 385 L CB 2.399 44.423 42.059 -0.058 0.000 1.369 385 L HN 1.022 nan 8.230 nan 0.000 0.412 386 N N 1.538 120.252 118.700 0.024 0.000 2.288 386 N HA 0.153 4.894 4.740 0.001 0.000 0.237 386 N C -2.336 173.198 175.510 0.040 0.000 1.311 386 N CA -1.138 51.936 53.050 0.040 0.000 0.909 386 N CB -0.034 38.478 38.487 0.041 0.000 1.167 386 N HN 0.228 nan 8.380 nan 0.000 0.476 387 P HA 0.100 nan 4.420 nan 0.000 0.245 387 P C 0.295 177.606 177.300 0.019 0.000 1.206 387 P CA 0.660 63.774 63.100 0.025 0.000 0.781 387 P CB 0.276 31.998 31.700 0.037 0.000 0.994 388 E N -0.336 119.884 120.200 0.034 0.000 2.285 388 E HA 0.136 4.487 4.350 0.001 0.000 0.194 388 E C 1.560 178.183 176.600 0.039 0.000 0.997 388 E CA 0.973 57.396 56.400 0.038 0.000 0.845 388 E CB -0.907 28.818 29.700 0.041 0.000 0.782 388 E HN 0.186 nan 8.360 nan 0.000 0.491 389 G N -0.803 108.020 108.800 0.038 0.000 2.131 389 G HA2 -0.151 3.809 3.960 0.001 0.000 0.223 389 G HA3 -0.151 3.809 3.960 0.001 0.000 0.223 389 G C 0.493 175.465 174.900 0.119 0.000 0.990 389 G CA 0.014 45.147 45.100 0.054 0.000 0.671 389 G HN 0.581 nan 8.290 nan 0.000 0.521 390 G N -0.583 108.267 108.800 0.084 0.000 3.107 390 G HA2 0.868 4.828 3.960 0.001 0.000 0.232 390 G HA3 0.868 4.828 3.960 0.001 0.000 0.232 390 G C -2.763 172.189 174.900 0.086 0.000 1.339 390 G CA -0.824 44.322 45.100 0.076 0.000 1.033 390 G HN 0.206 nan 8.290 nan 0.000 0.567 391 P HA 0.150 nan 4.420 nan 0.000 0.275 391 P C -1.054 176.202 177.300 -0.074 0.000 1.228 391 P CA -0.236 62.874 63.100 0.016 0.000 0.786 391 P CB 1.267 32.984 31.700 0.028 0.000 0.927 392 N N 2.507 121.095 118.700 -0.186 0.000 2.310 392 N HA 0.104 4.845 4.740 0.001 0.000 0.292 392 N C 0.613 176.002 175.510 -0.202 0.000 1.049 392 N CA -0.663 52.115 53.050 -0.454 0.000 0.849 392 N CB 1.373 39.440 38.487 -0.699 0.000 1.532 392 N HN 0.558 nan 8.380 nan 0.000 0.479 393 W N 4.246 125.403 121.300 -0.237 0.000 3.204 393 W HA 0.207 4.867 4.660 0.000 0.000 0.249 393 W C -0.786 175.686 176.519 -0.077 0.000 1.322 393 W CA -0.150 57.122 57.345 -0.122 0.000 1.593 393 W CB -0.293 29.110 29.460 -0.095 0.000 1.122 393 W HN 0.206 nan 8.180 nan 0.000 0.710 394 V N 0.312 119.862 119.914 -0.606 0.000 3.279 394 V HA 0.343 4.463 4.120 0.001 0.000 0.213 394 V C -0.088 175.858 176.094 -0.247 0.000 1.335 394 V CA 0.439 62.384 62.300 -0.590 0.000 1.317 394 V CB 0.314 31.661 31.823 -0.793 0.000 1.209 394 V HN -0.054 nan 8.190 nan 0.000 0.525 395 R N -0.550 119.855 120.500 -0.159 0.000 2.728 395 R HA 0.330 4.671 4.340 0.001 0.000 0.259 395 R C -0.146 176.274 176.300 0.200 0.000 1.057 395 R CA -0.143 55.964 56.100 0.010 0.000 0.908 395 R CB 1.068 31.373 30.300 0.008 0.000 1.259 395 R HN 0.094 nan 8.270 nan 0.000 0.472 396 N N 2.060 120.903 118.700 0.239 0.000 2.278 396 N HA -0.044 4.697 4.740 0.001 0.000 0.181 396 N C 1.086 176.759 175.510 0.271 0.000 1.023 396 N CA 1.396 54.566 53.050 0.200 0.000 0.862 396 N CB -0.160 38.390 38.487 0.105 0.000 1.003 396 N HN 0.615 nan 8.380 nan 0.000 0.431 397 F N 0.582 120.610 119.950 0.129 0.000 2.893 397 F HA -0.309 4.218 4.527 0.001 0.000 0.415 397 F C 0.055 175.993 175.800 0.231 0.000 0.597 397 F CA 0.670 58.784 58.000 0.190 0.000 0.744 397 F CB -1.960 37.185 39.000 0.242 0.000 1.499 397 F HN -0.087 nan 8.300 nan 0.000 0.272 398 V N -2.412 117.316 119.914 -0.310 0.000 2.914 398 V HA 0.701 4.821 4.120 0.001 0.000 0.314 398 V C 0.077 176.126 176.094 -0.076 0.000 1.084 398 V CA -0.746 61.438 62.300 -0.194 0.000 0.963 398 V CB 1.755 33.387 31.823 -0.318 0.000 1.025 398 V HN 0.225 nan 8.190 nan 0.000 0.432 399 D N 0.913 121.306 120.400 -0.012 0.000 2.451 399 D HA 0.668 5.308 4.640 0.001 0.000 0.259 399 D C -0.365 175.921 176.300 -0.024 0.000 1.201 399 D CA 0.186 54.175 54.000 -0.018 0.000 1.028 399 D CB 1.983 42.778 40.800 -0.009 0.000 1.095 399 D HN 0.959 nan 8.370 nan 0.000 0.539 400 S N -0.791 114.892 115.700 -0.029 0.000 2.533 400 S HA 0.417 4.887 4.470 0.001 0.000 0.271 400 S C -2.398 172.206 174.600 0.007 0.000 1.143 400 S CA -1.111 57.080 58.200 -0.016 0.000 0.891 400 S CB 1.781 64.944 63.200 -0.061 0.000 1.105 400 S HN 0.077 nan 8.310 nan 0.000 0.468 401 P HA 0.132 nan 4.420 nan 0.000 0.221 401 P C -0.328 177.041 177.300 0.115 0.000 1.145 401 P CA 1.080 64.239 63.100 0.098 0.000 0.795 401 P CB 0.059 31.896 31.700 0.229 0.000 0.775 402 I N -0.470 120.160 120.570 0.100 0.000 2.498 402 I HA 0.230 4.401 4.170 0.001 0.000 0.290 402 I C -0.554 175.597 176.117 0.056 0.000 1.032 402 I CA -1.038 60.284 61.300 0.037 0.000 1.073 402 I CB 2.268 40.225 38.000 -0.071 0.000 1.251 402 I HN -0.321 nan 8.210 nan 0.000 0.426 403 I N 6.920 127.557 120.570 0.112 0.000 2.354 403 I HA 0.381 4.552 4.170 0.001 0.000 0.292 403 I C 0.020 176.238 176.117 0.168 0.000 0.989 403 I CA -0.744 60.633 61.300 0.127 0.000 1.188 403 I CB 1.630 39.713 38.000 0.139 0.000 1.342 403 I HN 0.111 nan 8.210 nan 0.000 0.457 404 V N 5.261 125.236 119.914 0.102 0.000 2.472 404 V HA 0.304 4.425 4.120 0.001 0.000 0.290 404 V C -0.279 175.868 176.094 0.089 0.000 1.037 404 V CA -0.458 61.895 62.300 0.088 0.000 0.908 404 V CB 2.065 33.910 31.823 0.037 0.000 0.985 404 V HN 0.634 nan 8.190 nan 0.000 0.454 405 D N 3.648 124.083 120.400 0.058 0.000 2.462 405 D HA 0.271 4.912 4.640 0.001 0.000 0.249 405 D C 1.050 177.374 176.300 0.040 0.000 1.117 405 D CA -0.510 53.530 54.000 0.068 0.000 0.900 405 D CB 0.802 41.666 40.800 0.107 0.000 1.039 405 D HN 0.382 nan 8.370 nan 0.000 0.516 406 I N 1.625 122.222 120.570 0.044 0.000 2.142 406 I HA -0.187 3.983 4.170 0.001 0.000 0.240 406 I C 1.843 177.978 176.117 0.030 0.000 1.078 406 I CA 1.907 63.227 61.300 0.034 0.000 1.343 406 I CB -2.091 35.927 38.000 0.030 0.000 1.046 406 I HN 0.380 nan 8.210 nan 0.000 0.405 407 T N -0.075 114.501 114.554 0.036 0.000 2.792 407 T HA -0.259 4.092 4.350 0.001 0.000 0.268 407 T C 1.635 176.353 174.700 0.030 0.000 1.059 407 T CA 2.062 64.183 62.100 0.035 0.000 1.136 407 T CB -0.536 68.359 68.868 0.045 0.000 0.846 407 T HN 0.573 nan 8.240 nan 0.000 0.489 408 K N 0.108 120.524 120.400 0.026 0.000 2.387 408 K HA 0.189 4.509 4.320 0.001 0.000 0.203 408 K C 0.249 176.841 176.600 -0.013 0.000 1.030 408 K CA 0.245 56.538 56.287 0.010 0.000 1.099 408 K CB 0.355 32.865 32.500 0.017 0.000 0.863 408 K HN 0.224 nan 8.250 nan 0.000 0.529 409 D N 2.005 122.404 120.400 -0.001 0.000 2.702 409 D HA -0.180 4.461 4.640 0.001 0.000 0.233 409 D C -0.765 175.519 176.300 -0.027 0.000 1.164 409 D CA 1.382 55.383 54.000 0.003 0.000 0.638 409 D CB -0.589 40.214 40.800 0.004 0.000 1.041 409 D HN 0.406 nan 8.370 nan 0.000 0.422 410 T N -1.838 112.675 114.554 -0.070 0.000 2.906 410 T HA 0.733 5.083 4.350 0.001 0.000 0.295 410 T C -0.383 174.198 174.700 -0.198 0.000 1.075 410 T CA -0.929 61.044 62.100 -0.212 0.000 1.005 410 T CB 1.584 70.251 68.868 -0.335 0.000 1.136 410 T HN 0.329 nan 8.240 nan 0.000 0.498 411 F N -0.409 119.327 119.950 -0.357 0.000 2.599 411 F HA 0.814 5.342 4.527 0.001 0.000 0.311 411 F C -1.945 173.635 175.800 -0.366 0.000 1.076 411 F CA -1.789 55.998 58.000 -0.355 0.000 0.937 411 F CB 1.215 40.099 39.000 -0.193 0.000 1.282 411 F HN 0.611 nan 8.300 nan 0.000 0.460 412 Y N 1.051 121.442 120.300 0.152 0.000 2.341 412 Y HA 0.535 5.085 4.550 0.001 0.000 0.338 412 Y C -0.474 175.452 175.900 0.044 0.000 0.965 412 Y CA -0.999 57.132 58.100 0.051 0.000 1.108 412 Y CB 2.108 40.581 38.460 0.021 0.000 1.180 412 Y HN 0.465 nan 8.280 nan 0.000 0.458 413 K N 3.817 124.312 120.400 0.159 0.000 2.281 413 K HA 0.252 4.573 4.320 0.001 0.000 0.272 413 K C -0.368 176.376 176.600 0.239 0.000 1.048 413 K CA -0.701 55.584 56.287 -0.003 0.000 0.898 413 K CB 0.904 33.206 32.500 -0.330 0.000 1.128 413 K HN 0.541 nan 8.250 nan 0.000 0.460 414 Q N 2.436 122.357 119.800 0.202 0.000 2.382 414 Q HA 0.078 4.418 4.340 0.001 0.000 0.229 414 Q C -1.705 174.524 176.000 0.381 0.000 1.006 414 Q CA -1.708 54.231 55.803 0.226 0.000 0.916 414 Q CB 0.481 29.278 28.738 0.098 0.000 1.235 414 Q HN 0.296 nan 8.270 nan 0.000 0.512 415 P HA -0.217 nan 4.420 nan 0.000 0.216 415 P C 1.362 178.876 177.300 0.358 0.000 1.157 415 P CA 1.592 64.940 63.100 0.412 0.000 0.880 415 P CB 0.025 31.879 31.700 0.256 0.000 0.791 416 M N -2.517 117.116 119.600 0.054 0.000 2.186 416 M HA -0.293 4.187 4.480 0.001 0.000 0.249 416 M C 1.961 178.265 176.300 0.008 0.000 1.081 416 M CA 2.098 57.315 55.300 -0.139 0.000 1.072 416 M CB -0.894 31.482 32.600 -0.373 0.000 1.318 416 M HN -0.098 nan 8.290 nan 0.000 0.405 417 F N -0.453 119.460 119.950 -0.062 0.000 2.126 417 F HA -0.283 4.245 4.527 0.001 0.000 0.299 417 F C 1.721 177.400 175.800 -0.202 0.000 1.096 417 F CA 1.809 59.695 58.000 -0.190 0.000 1.255 417 F CB -0.434 38.315 39.000 -0.418 0.000 0.997 417 F HN 0.117 nan 8.300 nan 0.000 0.479 418 Y N -1.077 119.377 120.300 0.257 0.000 2.337 418 Y HA -0.134 4.417 4.550 0.001 0.000 0.293 418 Y C 2.732 178.751 175.900 0.198 0.000 1.123 418 Y CA 1.573 59.798 58.100 0.208 0.000 1.201 418 Y CB -0.841 37.820 38.460 0.335 0.000 1.011 418 Y HN 0.151 nan 8.280 nan 0.000 0.545 419 H N -0.489 118.735 119.070 0.256 0.000 2.357 419 H HA -0.112 4.444 4.556 0.001 0.000 0.301 419 H C 2.272 177.789 175.328 0.314 0.000 1.082 419 H CA 1.451 57.650 56.048 0.252 0.000 1.342 419 H CB -0.257 29.579 29.762 0.123 0.000 1.389 419 H HN 0.330 nan 8.280 nan 0.000 0.511 420 L N 0.118 121.511 121.223 0.283 0.000 2.013 420 L HA -0.161 4.180 4.340 0.001 0.000 0.212 420 L C 2.830 179.708 176.870 0.013 0.000 1.073 420 L CA 1.397 56.346 54.840 0.182 0.000 0.753 420 L CB -0.612 41.529 42.059 0.137 0.000 0.890 420 L HN 0.313 nan 8.230 nan 0.000 0.432 421 G N -2.233 106.456 108.800 -0.186 0.000 2.443 421 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 421 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 421 G C 1.360 175.991 174.900 -0.449 0.000 1.131 421 G CA 0.291 45.139 45.100 -0.420 0.000 0.775 421 G HN 0.430 nan 8.290 nan 0.000 0.547 422 H N -0.962 117.998 119.070 -0.182 0.000 2.545 422 H HA 0.040 4.597 4.556 0.001 0.000 0.282 422 H C 1.628 176.751 175.328 -0.342 0.000 1.020 422 H CA 0.930 56.875 56.048 -0.171 0.000 1.243 422 H CB 0.161 29.798 29.762 -0.209 0.000 1.377 422 H HN 0.485 nan 8.280 nan 0.000 0.581 423 F N -0.469 119.365 119.950 -0.194 0.000 2.536 423 F HA -0.053 4.474 4.527 0.001 0.000 0.278 423 F C 2.757 178.056 175.800 -0.835 0.000 0.945 423 F CA 0.598 58.341 58.000 -0.429 0.000 1.244 423 F CB -0.406 38.236 39.000 -0.596 0.000 1.118 423 F HN -0.022 nan 8.300 nan 0.000 0.725 424 S N 0.321 115.544 115.700 -0.796 0.000 2.419 424 S HA -0.211 4.260 4.470 0.001 0.000 0.233 424 S C 1.901 176.187 174.600 -0.524 0.000 1.016 424 S CA 1.317 59.030 58.200 -0.811 0.000 0.974 424 S CB -0.519 62.479 63.200 -0.337 0.000 0.786 424 S HN 0.364 nan 8.310 nan 0.000 0.492 425 K N 0.351 120.296 120.400 -0.760 0.000 2.167 425 K HA 0.111 4.432 4.320 0.001 0.000 0.203 425 K C 0.362 176.422 176.600 -0.901 0.000 1.052 425 K CA 0.925 56.615 56.287 -0.995 0.000 0.956 425 K CB -0.063 31.503 32.500 -1.557 0.000 0.735 425 K HN 0.570 nan 8.250 nan 0.000 0.451 426 F N 0.018 119.796 119.950 -0.287 0.000 2.683 426 F HA 0.333 4.861 4.527 0.001 0.000 0.306 426 F C -0.007 175.720 175.800 -0.122 0.000 1.102 426 F CA -0.599 57.294 58.000 -0.179 0.000 1.244 426 F CB 0.840 39.737 39.000 -0.171 0.000 1.029 426 F HN -0.192 nan 8.300 nan 0.000 0.545 427 I N 3.222 123.775 120.570 -0.028 0.000 2.782 427 I HA 0.226 4.396 4.170 0.001 0.000 0.279 427 I C -2.407 173.725 176.117 0.026 0.000 1.247 427 I CA -1.952 59.363 61.300 0.026 0.000 1.062 427 I CB 0.685 38.825 38.000 0.233 0.000 1.421 427 I HN -0.203 nan 8.210 nan 0.000 0.558 428 P HA -0.061 nan 4.420 nan 0.000 0.269 428 P C -0.025 177.275 177.300 -0.000 0.000 1.217 428 P CA 0.029 63.092 63.100 -0.063 0.000 0.783 428 P CB 0.811 32.429 31.700 -0.137 0.000 0.898 429 E N 0.491 120.700 120.200 0.015 0.000 2.465 429 E HA 0.142 4.492 4.350 0.001 0.000 0.260 429 E C 1.075 177.677 176.600 0.005 0.000 0.980 429 E CA 0.847 57.248 56.400 0.001 0.000 0.927 429 E CB -0.616 29.062 29.700 -0.037 0.000 0.934 429 E HN 0.778 nan 8.360 nan 0.000 0.459 430 G N 3.020 111.832 108.800 0.019 0.000 2.194 430 G HA2 -0.254 3.706 3.960 0.001 0.000 0.236 430 G HA3 -0.254 3.706 3.960 0.001 0.000 0.236 430 G C 0.220 175.151 174.900 0.052 0.000 0.987 430 G CA 0.110 45.230 45.100 0.035 0.000 0.635 430 G HN 0.592 nan 8.290 nan 0.000 0.520 431 S N 0.233 115.964 115.700 0.052 0.000 2.568 431 S HA 0.462 4.932 4.470 0.001 0.000 0.282 431 S C 0.199 174.862 174.600 0.106 0.000 1.338 431 S CA 0.369 58.616 58.200 0.079 0.000 1.045 431 S CB 1.524 64.770 63.200 0.078 0.000 0.873 431 S HN 0.638 nan 8.310 nan 0.000 0.516 432 Q N 1.764 121.634 119.800 0.116 0.000 2.333 432 Q HA 0.343 4.683 4.340 0.001 0.000 0.267 432 Q C -0.420 175.672 176.000 0.153 0.000 1.012 432 Q CA -0.758 55.120 55.803 0.125 0.000 0.824 432 Q CB 1.018 29.814 28.738 0.096 0.000 1.290 432 Q HN 0.566 nan 8.270 nan 0.000 0.449 433 R N 2.466 123.082 120.500 0.194 0.000 2.537 433 R HA 0.297 4.637 4.340 0.001 0.000 0.280 433 R C -0.641 175.857 176.300 0.331 0.000 1.058 433 R CA 0.140 56.382 56.100 0.236 0.000 1.057 433 R CB 0.459 30.889 30.300 0.216 0.000 0.973 433 R HN 0.532 nan 8.270 nan 0.000 0.438 434 V N 0.665 120.757 119.914 0.297 0.000 3.130 434 V HA 0.742 4.863 4.120 0.001 0.000 0.310 434 V C 0.175 176.477 176.094 0.346 0.000 1.158 434 V CA -0.731 61.732 62.300 0.273 0.000 1.029 434 V CB 1.558 33.443 31.823 0.102 0.000 1.057 434 V HN 0.843 nan 8.190 nan 0.000 0.436 435 G N 0.458 109.461 108.800 0.339 0.000 2.636 435 G HA2 0.548 4.508 3.960 0.001 0.000 0.246 435 G HA3 0.548 4.508 3.960 0.001 0.000 0.246 435 G C -1.014 173.983 174.900 0.161 0.000 1.216 435 G CA -0.123 45.180 45.100 0.338 0.000 0.854 435 G HN 1.502 nan 8.290 nan 0.000 0.572 436 L N 1.149 122.440 121.223 0.112 0.000 2.752 436 L HA 0.367 4.708 4.340 0.001 0.000 0.257 436 L C -0.884 176.013 176.870 0.044 0.000 0.968 436 L CA -0.345 54.536 54.840 0.070 0.000 0.953 436 L CB 1.792 43.888 42.059 0.062 0.000 1.286 436 L HN 0.358 nan 8.230 nan 0.000 0.443 437 V N 3.985 123.923 119.914 0.040 0.000 2.394 437 V HA 0.814 4.935 4.120 0.001 0.000 0.282 437 V C 0.650 176.758 176.094 0.022 0.000 1.031 437 V CA -0.134 62.185 62.300 0.032 0.000 0.881 437 V CB 1.625 33.470 31.823 0.036 0.000 0.982 437 V HN 0.869 nan 8.190 nan 0.000 0.451 438 A N 3.515 126.346 122.820 0.019 0.000 2.320 438 A HA 0.460 4.780 4.320 0.001 0.000 0.287 438 A C 1.356 178.953 177.584 0.022 0.000 1.181 438 A CA 0.291 52.339 52.037 0.018 0.000 0.831 438 A CB 0.662 19.672 19.000 0.016 0.000 1.102 438 A HN 1.165 nan 8.150 nan 0.000 0.513 439 S N 1.612 117.327 115.700 0.025 0.000 2.469 439 S HA -0.045 4.426 4.470 0.001 0.000 0.238 439 S C 0.634 175.251 174.600 0.027 0.000 0.998 439 S CA 1.198 59.416 58.200 0.031 0.000 0.957 439 S CB -0.447 62.777 63.200 0.041 0.000 0.764 439 S HN 1.003 nan 8.310 nan 0.000 0.514 440 Q N -0.921 118.894 119.800 0.024 0.000 2.738 440 Q HA 0.414 4.754 4.340 0.001 0.000 0.301 440 Q C -1.564 174.447 176.000 0.019 0.000 0.901 440 Q CA -1.239 54.576 55.803 0.021 0.000 0.756 440 Q CB 0.750 29.500 28.738 0.020 0.000 1.463 440 Q HN 0.060 nan 8.270 nan 0.000 0.432 441 K N 1.140 121.551 120.400 0.018 0.000 2.368 441 K HA 0.202 4.523 4.320 0.001 0.000 0.282 441 K C -1.086 175.524 176.600 0.017 0.000 1.035 441 K CA 0.330 56.628 56.287 0.019 0.000 0.973 441 K CB 0.260 32.771 32.500 0.019 0.000 0.957 441 K HN 0.753 nan 8.250 nan 0.000 0.474 442 N N 1.216 119.927 118.700 0.019 0.000 2.416 442 N HA 0.175 4.915 4.740 0.001 0.000 0.276 442 N C -0.918 174.605 175.510 0.021 0.000 1.261 442 N CA -0.791 52.269 53.050 0.016 0.000 0.790 442 N CB 1.395 39.891 38.487 0.015 0.000 1.554 442 N HN 0.258 nan 8.380 nan 0.000 0.481 443 D N -0.016 120.394 120.400 0.017 0.000 2.340 443 D HA 0.191 4.832 4.640 0.001 0.000 0.220 443 D C 0.018 176.337 176.300 0.033 0.000 1.039 443 D CA 0.295 54.308 54.000 0.021 0.000 0.866 443 D CB 0.003 40.807 40.800 0.007 0.000 0.913 443 D HN 0.411 nan 8.370 nan 0.000 0.523 444 L N 0.460 121.703 121.223 0.032 0.000 2.416 444 L HA 0.328 4.669 4.340 0.001 0.000 0.262 444 L C 0.109 177.017 176.870 0.063 0.000 1.093 444 L CA -0.708 54.158 54.840 0.044 0.000 0.801 444 L CB 0.985 43.061 42.059 0.028 0.000 1.191 444 L HN -0.281 nan 8.230 nan 0.000 0.459 445 D N 1.381 121.831 120.400 0.085 0.000 2.408 445 D HA 0.613 5.254 4.640 0.001 0.000 0.243 445 D C -0.754 175.594 176.300 0.080 0.000 1.075 445 D CA -0.080 53.971 54.000 0.087 0.000 0.832 445 D CB 2.097 42.976 40.800 0.132 0.000 1.162 445 D HN 0.568 nan 8.370 nan 0.000 0.515 446 A N 1.584 124.439 122.820 0.057 0.000 2.414 446 A HA 0.710 5.030 4.320 0.001 0.000 0.306 446 A C -1.184 176.434 177.584 0.057 0.000 1.054 446 A CA -0.805 51.272 52.037 0.066 0.000 0.724 446 A CB 2.015 21.048 19.000 0.055 0.000 1.267 446 A HN 0.354 nan 8.150 nan 0.000 0.418 447 V N 1.016 120.981 119.914 0.085 0.000 2.876 447 V HA 0.870 4.990 4.120 0.001 0.000 0.312 447 V C -0.286 175.862 176.094 0.090 0.000 1.085 447 V CA 0.058 62.405 62.300 0.078 0.000 0.945 447 V CB 1.898 33.790 31.823 0.114 0.000 1.017 447 V HN 1.857 nan 8.190 nan 0.000 0.428 448 A N 6.036 128.905 122.820 0.081 0.000 2.350 448 A HA 0.980 5.300 4.320 0.001 0.000 0.324 448 A C -1.452 176.189 177.584 0.094 0.000 1.118 448 A CA -0.557 51.525 52.037 0.075 0.000 0.783 448 A CB 1.426 20.468 19.000 0.070 0.000 1.236 448 A HN 0.863 nan 8.150 nan 0.000 0.457 449 L N 0.937 122.204 121.223 0.074 0.000 2.359 449 L HA 0.703 5.044 4.340 0.001 0.000 0.256 449 L C -0.328 176.583 176.870 0.068 0.000 1.026 449 L CA -0.240 54.666 54.840 0.111 0.000 0.828 449 L CB 2.287 44.446 42.059 0.166 0.000 1.406 449 L HN 0.844 nan 8.230 nan 0.000 0.413 450 M N 0.543 120.201 119.600 0.097 0.000 2.321 450 M HA 0.472 4.952 4.480 0.001 0.000 0.315 450 M C -0.804 175.604 176.300 0.179 0.000 1.052 450 M CA -0.284 55.060 55.300 0.074 0.000 0.936 450 M CB 1.396 34.017 32.600 0.035 0.000 1.639 450 M HN 0.562 nan 8.290 nan 0.000 0.433 451 H N 3.807 122.874 119.070 -0.005 0.000 2.660 451 H HA 0.128 4.685 4.556 0.001 0.000 0.374 451 H C -1.817 173.534 175.328 0.038 0.000 1.291 451 H CA -1.382 54.686 56.048 0.032 0.000 1.437 451 H CB 0.449 30.234 29.762 0.038 0.000 1.509 451 H HN 0.529 nan 8.280 nan 0.000 0.614 452 P HA -0.169 nan 4.420 nan 0.000 0.216 452 P C 0.871 178.235 177.300 0.107 0.000 1.150 452 P CA 1.460 64.623 63.100 0.105 0.000 0.837 452 P CB 0.031 31.776 31.700 0.076 0.000 0.786 453 D N -1.449 119.035 120.400 0.140 0.000 2.378 453 D HA 0.019 4.659 4.640 0.001 0.000 0.227 453 D C 1.442 177.793 176.300 0.084 0.000 1.012 453 D CA 0.885 54.950 54.000 0.109 0.000 0.905 453 D CB -1.006 39.874 40.800 0.134 0.000 0.895 453 D HN 0.278 nan 8.370 nan 0.000 0.532 454 G N -0.132 108.717 108.800 0.082 0.000 2.195 454 G HA2 -0.286 3.675 3.960 0.001 0.000 0.246 454 G HA3 -0.286 3.675 3.960 0.001 0.000 0.246 454 G C 0.426 175.314 174.900 -0.020 0.000 0.984 454 G CA 0.397 45.520 45.100 0.038 0.000 0.633 454 G HN 0.824 nan 8.290 nan 0.000 0.525 455 S N 0.060 115.724 115.700 -0.059 0.000 2.603 455 S HA 0.771 5.242 4.470 0.001 0.000 0.268 455 S C 0.352 174.668 174.600 -0.474 0.000 1.317 455 S CA 0.422 58.470 58.200 -0.253 0.000 1.012 455 S CB 2.086 65.092 63.200 -0.324 0.000 0.926 455 S HN 1.884 nan 8.310 nan 0.000 0.539 456 A N 1.029 123.404 122.820 -0.742 0.000 2.305 456 A HA 0.724 5.045 4.320 0.001 0.000 0.322 456 A C -0.428 176.637 177.584 -0.864 0.000 1.187 456 A CA -0.842 50.658 52.037 -0.895 0.000 0.825 456 A CB 1.019 19.132 19.000 -1.478 0.000 1.164 456 A HN 1.335 nan 8.150 nan 0.000 0.498 457 V N 3.497 123.131 119.914 -0.466 0.000 2.656 457 V HA 0.741 4.862 4.120 0.001 0.000 0.307 457 V C -1.145 174.886 176.094 -0.105 0.000 1.051 457 V CA -0.384 61.764 62.300 -0.254 0.000 0.893 457 V CB 1.883 33.699 31.823 -0.012 0.000 0.999 457 V HN 0.771 nan 8.190 nan 0.000 0.426 458 V N 6.416 126.338 119.914 0.013 0.000 2.588 458 V HA 0.568 4.688 4.120 0.001 0.000 0.304 458 V C -0.509 175.669 176.094 0.140 0.000 1.042 458 V CA -0.590 61.780 62.300 0.117 0.000 0.877 458 V CB 2.116 34.058 31.823 0.198 0.000 0.996 458 V HN 0.732 nan 8.190 nan 0.000 0.425 459 V N 4.885 124.833 119.914 0.057 0.000 2.435 459 V HA 0.526 4.646 4.120 0.001 0.000 0.290 459 V C -0.320 175.812 176.094 0.064 0.000 1.030 459 V CA -0.596 61.682 62.300 -0.037 0.000 0.881 459 V CB 1.874 33.485 31.823 -0.353 0.000 0.983 459 V HN 0.603 nan 8.190 nan 0.000 0.445 460 V N 6.009 125.985 119.914 0.102 0.000 2.305 460 V HA 0.340 4.461 4.120 0.001 0.000 0.275 460 V C -0.303 175.825 176.094 0.056 0.000 1.020 460 V CA -0.462 61.901 62.300 0.104 0.000 0.811 460 V CB 1.286 33.200 31.823 0.151 0.000 1.031 460 V HN 0.711 nan 8.190 nan 0.000 0.439 461 L N 4.267 125.542 121.223 0.086 0.000 2.367 461 L HA 0.522 4.862 4.340 0.001 0.000 0.275 461 L C 0.090 177.024 176.870 0.106 0.000 1.129 461 L CA 0.679 55.593 54.840 0.123 0.000 0.839 461 L CB 0.832 43.011 42.059 0.199 0.000 1.133 461 L HN 0.600 nan 8.230 nan 0.000 0.453 462 N N 4.168 122.934 118.700 0.110 0.000 2.518 462 N HA 0.319 5.060 4.740 0.001 0.000 0.254 462 N C 0.029 175.615 175.510 0.125 0.000 0.979 462 N CA -0.279 52.812 53.050 0.068 0.000 0.930 462 N CB 0.815 39.294 38.487 -0.013 0.000 1.152 462 N HN 0.666 nan 8.380 nan 0.000 0.505 463 R N 0.662 121.228 120.500 0.111 0.000 2.334 463 R HA 0.122 4.463 4.340 0.001 0.000 0.220 463 R C 0.421 176.744 176.300 0.039 0.000 0.917 463 R CA -0.044 56.161 56.100 0.175 0.000 1.073 463 R CB 0.175 30.556 30.300 0.135 0.000 1.056 463 R HN 0.573 nan 8.270 nan 0.000 0.506 464 S N -1.031 114.567 115.700 -0.171 0.000 2.767 464 S HA 0.216 4.687 4.470 0.001 0.000 0.300 464 S C 1.001 175.142 174.600 -0.765 0.000 1.123 464 S CA -0.594 57.418 58.200 -0.314 0.000 0.992 464 S CB 1.828 64.939 63.200 -0.147 0.000 1.138 464 S HN 0.072 nan 8.310 nan 0.000 0.550 465 S N -0.971 114.377 115.700 -0.585 0.000 2.517 465 S HA 0.316 4.786 4.470 0.001 0.000 0.214 465 S C 0.131 174.578 174.600 -0.255 0.000 0.991 465 S CA -0.271 57.586 58.200 -0.571 0.000 0.906 465 S CB -0.400 62.708 63.200 -0.153 0.000 0.789 465 S HN 0.577 nan 8.310 nan 0.000 0.513 466 K N 2.364 122.649 120.400 -0.191 0.000 2.130 466 K HA 0.422 4.742 4.320 0.001 0.000 0.268 466 K C -1.176 175.365 176.600 -0.098 0.000 0.983 466 K CA -0.467 55.758 56.287 -0.104 0.000 0.893 466 K CB 0.660 33.119 32.500 -0.069 0.000 1.066 466 K HN 0.016 nan 8.250 nan 0.000 0.450 467 D N 1.319 121.682 120.400 -0.063 0.000 2.425 467 D HA 0.078 4.719 4.640 0.001 0.000 0.247 467 D C -0.733 175.544 176.300 -0.040 0.000 1.147 467 D CA 0.019 53.990 54.000 -0.047 0.000 0.879 467 D CB 0.784 41.570 40.800 -0.024 0.000 1.179 467 D HN 0.009 nan 8.370 nan 0.000 0.456 468 V N 5.490 125.379 119.914 -0.041 0.000 2.357 468 V HA 0.296 4.416 4.120 0.001 0.000 0.284 468 V C -2.067 174.018 176.094 -0.016 0.000 1.018 468 V CA -1.664 60.619 62.300 -0.029 0.000 0.841 468 V CB 1.467 33.272 31.823 -0.031 0.000 0.991 468 V HN 0.442 nan 8.190 nan 0.000 0.437 469 P HA 0.386 nan 4.420 nan 0.000 0.271 469 P C -0.959 176.343 177.300 0.003 0.000 1.216 469 P CA -0.266 62.836 63.100 0.003 0.000 0.776 469 P CB 1.656 33.357 31.700 0.002 0.000 0.881 470 L N 2.584 123.809 121.223 0.004 0.000 2.513 470 L HA 0.499 4.839 4.340 0.001 0.000 0.261 470 L C -1.028 175.825 176.870 -0.028 0.000 0.945 470 L CA 0.009 54.842 54.840 -0.011 0.000 0.848 470 L CB 2.157 44.200 42.059 -0.025 0.000 1.334 470 L HN 0.319 nan 8.230 nan 0.000 0.407 471 T N 5.023 119.562 114.554 -0.025 0.000 2.885 471 T HA 0.729 5.079 4.350 0.001 0.000 0.285 471 T C -0.379 174.245 174.700 -0.126 0.000 1.019 471 T CA -0.323 61.743 62.100 -0.057 0.000 1.010 471 T CB 1.495 70.368 68.868 0.009 0.000 1.022 471 T HN 0.453 nan 8.240 nan 0.000 0.466 472 I N 2.118 122.556 120.570 -0.219 0.000 2.436 472 I HA 0.434 4.605 4.170 0.001 0.000 0.289 472 I C -0.078 175.864 176.117 -0.292 0.000 1.010 472 I CA -0.905 60.243 61.300 -0.254 0.000 1.098 472 I CB 1.949 39.723 38.000 -0.378 0.000 1.266 472 I HN 0.410 nan 8.210 nan 0.000 0.434 473 K N 5.127 125.370 120.400 -0.261 0.000 2.213 473 K HA 0.245 4.566 4.320 0.001 0.000 0.270 473 K C -0.997 175.410 176.600 -0.323 0.000 1.002 473 K CA -0.500 55.510 56.287 -0.462 0.000 0.868 473 K CB 1.135 33.341 32.500 -0.490 0.000 1.093 473 K HN 0.465 nan 8.250 nan 0.000 0.454 474 D N 6.034 126.208 120.400 -0.375 0.000 2.392 474 D HA 0.218 4.859 4.640 0.001 0.000 0.228 474 D C -1.858 174.315 176.300 -0.211 0.000 1.074 474 D CA -2.511 51.408 54.000 -0.134 0.000 0.838 474 D CB 1.893 42.718 40.800 0.041 0.000 1.067 474 D HN 0.309 nan 8.370 nan 0.000 0.511 475 P HA -0.161 nan 4.420 nan 0.000 0.217 475 P C 1.009 178.255 177.300 -0.091 0.000 1.151 475 P CA 1.468 64.485 63.100 -0.137 0.000 0.849 475 P CB 0.204 31.863 31.700 -0.068 0.000 0.787 476 A N -1.367 121.434 122.820 -0.031 0.000 2.019 476 A HA -0.092 4.228 4.320 0.001 0.000 0.219 476 A C 2.035 179.607 177.584 -0.020 0.000 1.164 476 A CA 2.004 54.040 52.037 -0.001 0.000 0.644 476 A CB -1.001 18.029 19.000 0.050 0.000 0.805 476 A HN 0.150 nan 8.150 nan 0.000 0.449 477 V N -3.311 116.561 119.914 -0.071 0.000 3.137 477 V HA 0.543 4.663 4.120 0.001 0.000 0.236 477 V C 1.133 177.129 176.094 -0.164 0.000 1.260 477 V CA 0.604 62.848 62.300 -0.093 0.000 1.244 477 V CB -0.325 31.436 31.823 -0.104 0.000 1.016 477 V HN 1.068 nan 8.190 nan 0.000 0.477 478 G N 0.110 108.727 108.800 -0.304 0.000 2.278 478 G HA2 0.146 4.107 3.960 0.001 0.000 0.265 478 G HA3 0.146 4.107 3.960 0.001 0.000 0.265 478 G C -1.680 172.886 174.900 -0.558 0.000 1.329 478 G CA -0.739 44.153 45.100 -0.347 0.000 1.017 478 G HN 0.042 nan 8.290 nan 0.000 0.472 479 F N 0.136 119.980 119.950 -0.176 0.000 2.469 479 F HA 0.715 5.243 4.527 0.001 0.000 0.332 479 F C 0.530 176.195 175.800 -0.225 0.000 1.103 479 F CA -0.713 57.152 58.000 -0.225 0.000 0.979 479 F CB 2.161 41.059 39.000 -0.169 0.000 1.137 479 F HN 0.370 nan 8.300 nan 0.000 0.463 480 L N 4.294 125.424 121.223 -0.156 0.000 2.283 480 L HA 0.393 4.734 4.340 0.001 0.000 0.281 480 L C -0.620 176.137 176.870 -0.188 0.000 1.033 480 L CA -0.539 54.134 54.840 -0.279 0.000 0.848 480 L CB 0.286 41.942 42.059 -0.673 0.000 1.226 480 L HN 0.540 nan 8.230 nan 0.000 0.429 481 E N 3.192 123.369 120.200 -0.039 0.000 2.259 481 E HA 0.338 4.689 4.350 0.001 0.000 0.281 481 E C -0.268 176.335 176.600 0.005 0.000 1.037 481 E CA 0.050 56.453 56.400 0.006 0.000 0.854 481 E CB 2.014 31.747 29.700 0.054 0.000 1.051 481 E HN 0.541 nan 8.360 nan 0.000 0.409 482 T N 1.685 116.240 114.554 0.003 0.000 2.653 482 T HA 0.631 4.982 4.350 0.001 0.000 0.306 482 T C -1.497 173.249 174.700 0.076 0.000 1.426 482 T CA -0.517 61.623 62.100 0.066 0.000 1.008 482 T CB 0.867 69.771 68.868 0.059 0.000 1.692 482 T HN 0.344 nan 8.240 nan 0.000 0.483 483 I N 1.406 122.055 120.570 0.133 0.000 2.686 483 I HA 0.527 4.698 4.170 0.001 0.000 0.295 483 I C -0.703 175.446 176.117 0.052 0.000 1.114 483 I CA -0.693 60.656 61.300 0.082 0.000 1.038 483 I CB 2.376 40.423 38.000 0.078 0.000 1.238 483 I HN 0.518 nan 8.210 nan 0.000 0.420 484 S N 7.032 122.699 115.700 -0.054 0.000 2.520 484 S HA 0.563 5.034 4.470 0.001 0.000 0.324 484 S C -2.574 171.948 174.600 -0.130 0.000 1.069 484 S CA -1.596 56.477 58.200 -0.212 0.000 1.121 484 S CB 0.708 63.807 63.200 -0.169 0.000 0.971 484 S HN 0.159 nan 8.310 nan 0.000 0.463 485 P HA 0.206 nan 4.420 nan 0.000 0.272 485 P C 0.361 177.617 177.300 -0.074 0.000 1.230 485 P CA -0.122 62.948 63.100 -0.050 0.000 0.788 485 P CB 0.280 31.985 31.700 0.009 0.000 0.949 486 G N 1.104 109.843 108.800 -0.101 0.000 2.368 486 G HA2 -0.040 3.920 3.960 0.001 0.000 0.233 486 G HA3 -0.040 3.920 3.960 0.001 0.000 0.233 486 G C -0.676 174.156 174.900 -0.114 0.000 1.267 486 G CA -0.107 44.851 45.100 -0.236 0.000 0.873 486 G HN 0.575 nan 8.290 nan 0.000 0.539 487 Y N -0.240 120.113 120.300 0.088 0.000 2.988 487 Y HA -0.215 4.336 4.550 0.001 0.000 0.193 487 Y C 1.179 177.185 175.900 0.176 0.000 1.388 487 Y CA 0.635 58.843 58.100 0.181 0.000 0.904 487 Y CB -1.764 36.649 38.460 -0.080 0.000 1.297 487 Y HN 0.969 nan 8.280 nan 0.000 0.432 488 S N 0.388 116.304 115.700 0.361 0.000 2.618 488 S HA 0.890 5.360 4.470 0.001 0.000 0.277 488 S C -0.916 173.847 174.600 0.271 0.000 1.138 488 S CA -0.815 57.568 58.200 0.305 0.000 0.844 488 S CB 3.130 66.389 63.200 0.099 0.000 1.127 488 S HN 0.562 nan 8.310 nan 0.000 0.474 489 I N 1.179 121.858 120.570 0.182 0.000 2.571 489 I HA 0.496 4.666 4.170 0.001 0.000 0.289 489 I C -1.509 174.563 176.117 -0.076 0.000 1.115 489 I CA -0.507 60.767 61.300 -0.044 0.000 1.045 489 I CB 1.641 39.494 38.000 -0.245 0.000 1.238 489 I HN 0.908 nan 8.210 nan 0.000 0.424 490 H N 4.877 123.818 119.070 -0.216 0.000 2.469 490 H HA 0.443 5.000 4.556 0.001 0.000 0.342 490 H C -0.903 174.289 175.328 -0.226 0.000 1.115 490 H CA -0.886 55.024 56.048 -0.230 0.000 1.204 490 H CB 2.096 31.742 29.762 -0.193 0.000 1.492 490 H HN 0.444 nan 8.280 nan 0.000 0.499 491 T N 3.814 118.301 114.554 -0.113 0.000 2.809 491 T HA 0.198 4.549 4.350 0.001 0.000 0.296 491 T C -0.658 173.822 174.700 -0.366 0.000 1.015 491 T CA -0.642 61.346 62.100 -0.187 0.000 0.954 491 T CB 0.085 68.801 68.868 -0.254 0.000 0.950 491 T HN 0.320 nan 8.240 nan 0.000 0.450 492 Y N 2.775 123.070 120.300 -0.009 0.000 2.299 492 Y HA 0.634 5.184 4.550 0.001 0.000 0.326 492 Y C 0.244 176.156 175.900 0.021 0.000 1.164 492 Y CA -0.967 57.180 58.100 0.077 0.000 1.234 492 Y CB 0.860 39.426 38.460 0.176 0.000 1.219 492 Y HN 0.411 nan 8.280 nan 0.000 0.497 493 L N 3.354 124.752 121.223 0.291 0.000 2.464 493 L HA 0.503 4.844 4.340 0.001 0.000 0.266 493 L C -1.469 175.573 176.870 0.287 0.000 0.965 493 L CA -0.673 54.211 54.840 0.074 0.000 0.833 493 L CB 1.726 43.740 42.059 -0.076 0.000 1.296 493 L HN 0.798 nan 8.230 nan 0.000 0.405 494 W N 1.139 122.421 121.300 -0.029 0.000 3.363 494 W HA 0.521 5.181 4.660 0.001 0.000 0.306 494 W C -1.202 175.257 176.519 -0.100 0.000 1.253 494 W CA -0.721 56.617 57.345 -0.012 0.000 1.195 494 W CB 0.438 29.953 29.460 0.092 0.000 1.366 494 W HN 0.297 nan 8.180 nan 0.000 0.551 495 H N 2.655 121.868 119.070 0.238 0.000 2.815 495 H HA 0.254 4.811 4.556 0.001 0.000 0.350 495 H C 0.914 176.399 175.328 0.261 0.000 1.080 495 H CA 0.520 56.636 56.048 0.114 0.000 1.433 495 H CB 1.516 31.311 29.762 0.054 0.000 1.432 495 H HN 0.567 nan 8.280 nan 0.000 0.592 496 R N 1.383 122.046 120.500 0.272 0.000 2.290 496 R HA 0.123 4.464 4.340 0.001 0.000 0.197 496 R C 0.403 176.792 176.300 0.148 0.000 0.913 496 R CA 0.239 56.488 56.100 0.248 0.000 1.040 496 R CB 0.834 31.224 30.300 0.151 0.000 0.992 496 R HN 0.614 nan 8.270 nan 0.000 0.500 497 Q N 0.000 119.865 119.800 0.108 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 497 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 497 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481