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 3gxi_1_B 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 0.000 177.545 177.584 -0.065 0.000 1.274 1 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 2 R N 1.202 121.630 120.500 -0.121 0.000 2.599 2 R HA 0.673 5.027 4.340 0.024 0.000 0.295 2 R C -2.794 173.476 176.300 -0.050 0.000 0.963 2 R CA -1.743 54.290 56.100 -0.111 0.000 0.883 2 R CB 2.584 32.664 30.300 -0.367 0.000 1.171 2 R HN 0.611 nan 8.270 nan 0.000 0.450 3 P HA 0.075 nan 4.420 nan 0.000 0.278 3 P C -0.087 177.273 177.300 0.101 0.000 1.266 3 P CA -0.601 62.521 63.100 0.037 0.000 0.807 3 P CB 0.811 32.532 31.700 0.035 0.000 1.094 4 c N 2.041 120.654 118.600 0.023 0.000 2.642 4 c HA 0.204 4.789 4.570 0.024 0.000 0.420 4 c C 0.710 174.800 174.090 -0.001 0.000 1.349 4 c CA -0.184 56.157 56.329 0.021 0.000 1.821 4 c CB -2.131 40.347 42.510 -0.054 0.000 2.637 4 c HN 0.340 nan 8.230 nan 0.000 0.605 5 I N 9.179 129.732 120.570 -0.030 0.000 2.287 5 I HA 0.290 4.475 4.170 0.024 0.000 0.290 5 I C -1.671 174.417 176.117 -0.049 0.000 1.069 5 I CA -1.382 59.851 61.300 -0.111 0.000 1.237 5 I CB 0.943 38.784 38.000 -0.266 0.000 1.418 5 I HN 0.611 nan 8.210 nan 0.000 0.481 6 P HA 0.211 nan 4.420 nan 0.000 0.279 6 P C -1.056 176.230 177.300 -0.023 0.000 1.239 6 P CA -0.618 62.474 63.100 -0.014 0.000 0.789 6 P CB 1.309 32.992 31.700 -0.027 0.000 0.933 7 K N 1.068 121.469 120.400 0.002 0.000 2.501 7 K HA 0.443 4.778 4.320 0.024 0.000 0.252 7 K C -1.034 175.528 176.600 -0.065 0.000 0.934 7 K CA -0.575 55.666 56.287 -0.077 0.000 0.797 7 K CB 1.767 34.217 32.500 -0.084 0.000 1.270 7 K HN 0.356 nan 8.250 nan 0.000 0.431 8 S N 2.928 118.528 115.700 -0.166 0.000 2.578 8 S HA 0.519 5.004 4.470 0.024 0.000 0.283 8 S C -0.501 173.915 174.600 -0.307 0.000 1.195 8 S CA -0.508 57.635 58.200 -0.096 0.000 1.050 8 S CB 0.375 63.526 63.200 -0.083 0.000 1.012 8 S HN 0.551 nan 8.310 nan 0.000 0.511 9 F N 2.166 122.121 119.950 0.009 0.000 2.735 9 F HA 0.390 4.931 4.527 0.023 0.000 0.308 9 F C 1.616 177.414 175.800 -0.003 0.000 1.112 9 F CA 0.155 58.170 58.000 0.026 0.000 1.235 9 F CB 0.750 39.796 39.000 0.076 0.000 1.027 9 F HN 0.906 nan 8.300 nan 0.000 0.528 10 G N -0.732 108.092 108.800 0.040 0.000 2.175 10 G HA2 -0.319 3.655 3.960 0.024 0.000 0.244 10 G HA3 -0.319 3.655 3.960 0.024 0.000 0.244 10 G C 0.154 174.920 174.900 -0.223 0.000 0.982 10 G CA -0.197 44.827 45.100 -0.127 0.000 0.641 10 G HN 0.322 nan 8.290 nan 0.000 0.527 11 Y N 0.867 121.210 120.300 0.073 0.000 2.378 11 Y HA 0.440 5.004 4.550 0.023 0.000 0.351 11 Y C 2.301 178.231 175.900 0.051 0.000 1.351 11 Y CA 0.361 58.499 58.100 0.063 0.000 1.616 11 Y CB 0.414 38.916 38.460 0.071 0.000 1.622 11 Y HN 0.215 nan 8.280 nan 0.000 0.568 12 S N -1.437 114.403 115.700 0.234 0.000 2.447 12 S HA -0.024 4.461 4.470 0.024 0.000 0.233 12 S C 0.746 175.404 174.600 0.097 0.000 1.006 12 S CA 0.927 59.196 58.200 0.115 0.000 0.957 12 S CB -0.179 63.077 63.200 0.094 0.000 0.773 12 S HN 0.452 nan 8.310 nan 0.000 0.507 13 S N -0.575 115.231 115.700 0.176 0.000 2.851 13 S HA 0.712 5.196 4.470 0.024 0.000 0.313 13 S C -0.806 173.893 174.600 0.165 0.000 1.163 13 S CA -0.265 58.024 58.200 0.149 0.000 0.850 13 S CB 1.208 64.563 63.200 0.260 0.000 1.245 13 S HN 0.728 nan 8.310 nan 0.000 0.558 14 V N 0.762 120.764 119.914 0.146 0.000 2.850 14 V HA 0.939 5.073 4.120 0.024 0.000 0.315 14 V C 0.108 176.312 176.094 0.184 0.000 1.064 14 V CA -0.583 61.799 62.300 0.137 0.000 0.979 14 V CB 0.975 32.837 31.823 0.065 0.000 1.039 14 V HN 0.859 nan 8.190 nan 0.000 0.452 15 V N -0.668 119.359 119.914 0.189 0.000 2.966 15 V HA 0.682 4.816 4.120 0.024 0.000 0.317 15 V C 0.079 176.285 176.094 0.187 0.000 1.070 15 V CA -0.558 61.867 62.300 0.209 0.000 1.008 15 V CB 1.195 33.128 31.823 0.183 0.000 1.070 15 V HN 1.083 nan 8.190 nan 0.000 0.457 16 c N 2.547 121.271 118.600 0.207 0.000 2.295 16 c HA 0.673 5.258 4.570 0.024 0.000 0.331 16 c C 0.293 174.443 174.090 0.099 0.000 1.280 16 c CA -0.601 55.806 56.329 0.131 0.000 1.746 16 c CB 0.284 42.883 42.510 0.149 0.000 2.328 16 c HN 0.756 nan 8.230 nan 0.000 0.521 17 V N 3.199 123.148 119.914 0.058 0.000 2.432 17 V HA 0.373 4.508 4.120 0.024 0.000 0.275 17 V C 0.200 176.166 176.094 -0.214 0.000 1.043 17 V CA -0.110 62.189 62.300 -0.001 0.000 0.925 17 V CB 0.575 32.442 31.823 0.074 0.000 0.985 17 V HN 1.070 nan 8.190 nan 0.000 0.466 18 c N 5.279 123.552 118.600 -0.544 0.000 2.614 18 c HA 0.851 5.436 4.570 0.024 0.000 0.320 18 c C 0.183 173.892 174.090 -0.635 0.000 1.200 18 c CA -0.695 55.207 56.329 -0.712 0.000 1.700 18 c CB 1.539 43.176 42.510 -1.455 0.000 2.275 18 c HN 1.089 nan 8.230 nan 0.000 0.492 19 N N 0.171 118.693 118.700 -0.295 0.000 3.506 19 N HA 0.511 5.266 4.740 0.024 0.000 0.331 19 N C 0.241 175.761 175.510 0.017 0.000 1.631 19 N CA -0.103 52.881 53.050 -0.110 0.000 0.786 19 N CB 0.156 38.598 38.487 -0.074 0.000 2.023 19 N HN 0.498 nan 8.380 nan 0.000 0.621 20 A N -1.166 121.678 122.820 0.040 0.000 2.067 20 A HA 0.016 4.350 4.320 0.024 0.000 0.219 20 A C 1.428 179.041 177.584 0.049 0.000 1.158 20 A CA 2.345 54.417 52.037 0.058 0.000 0.661 20 A CB -1.209 17.816 19.000 0.042 0.000 0.801 20 A HN 0.880 nan 8.150 nan 0.000 0.452 21 T N -6.259 108.326 114.554 0.051 0.000 3.004 21 T HA 0.351 4.716 4.350 0.024 0.000 0.266 21 T C -0.098 174.646 174.700 0.072 0.000 0.986 21 T CA -0.138 61.993 62.100 0.052 0.000 0.902 21 T CB -0.144 68.758 68.868 0.056 0.000 1.118 21 T HN 0.277 nan 8.240 nan 0.000 0.522 22 Y N 0.269 120.536 120.300 -0.055 0.000 2.433 22 Y HA 0.591 5.154 4.550 0.023 0.000 0.337 22 Y C -1.441 174.386 175.900 -0.122 0.000 1.026 22 Y CA -1.350 56.704 58.100 -0.076 0.000 1.037 22 Y CB 1.899 40.309 38.460 -0.083 0.000 1.245 22 Y HN 0.326 nan 8.280 nan 0.000 0.443 23 c N 6.705 125.092 118.600 -0.354 0.000 3.090 23 c HA 0.358 4.943 4.570 0.024 0.000 0.347 23 c C -1.398 172.524 174.090 -0.279 0.000 1.147 23 c CA -0.828 55.404 56.329 -0.162 0.000 1.305 23 c CB 0.774 43.227 42.510 -0.096 0.000 1.692 23 c HN 0.938 nan 8.230 nan 0.000 0.506 24 D N 3.045 123.396 120.400 -0.082 0.000 2.399 24 D HA 0.451 5.105 4.640 0.024 0.000 0.241 24 D C -0.182 176.013 176.300 -0.174 0.000 1.133 24 D CA 0.358 54.298 54.000 -0.100 0.000 0.890 24 D CB 1.238 42.034 40.800 -0.006 0.000 1.201 24 D HN 0.907 nan 8.370 nan 0.000 0.432 25 S N -0.284 115.266 115.700 -0.249 0.000 2.611 25 S HA 0.616 5.100 4.470 0.024 0.000 0.268 25 S C -1.197 173.211 174.600 -0.320 0.000 1.156 25 S CA -1.071 56.993 58.200 -0.227 0.000 0.817 25 S CB 0.681 63.817 63.200 -0.107 0.000 1.122 25 S HN 0.355 nan 8.310 nan 0.000 0.466 26 F N 1.161 121.137 119.950 0.044 0.000 2.483 26 F HA 0.514 5.054 4.527 0.021 0.000 0.329 26 F C 0.868 176.693 175.800 0.041 0.000 1.064 26 F CA -0.656 57.382 58.000 0.062 0.000 0.986 26 F CB 0.822 39.862 39.000 0.067 0.000 1.218 26 F HN 0.529 nan 8.300 nan 0.000 0.484 27 D N 1.364 121.919 120.400 0.258 0.000 2.360 27 D HA 0.168 4.823 4.640 0.024 0.000 0.242 27 D C -2.275 174.115 176.300 0.150 0.000 1.184 27 D CA -0.867 53.226 54.000 0.155 0.000 0.930 27 D CB 0.239 41.110 40.800 0.118 0.000 1.161 27 D HN 0.102 nan 8.370 nan 0.000 0.447 28 P HA 0.089 nan 4.420 nan 0.000 0.265 28 P C -2.309 175.011 177.300 0.034 0.000 1.187 28 P CA -0.636 62.497 63.100 0.055 0.000 0.766 28 P CB -0.278 31.448 31.700 0.042 0.000 0.820 29 P HA 0.130 nan 4.420 nan 0.000 0.276 29 P C -0.582 176.623 177.300 -0.157 0.000 1.230 29 P CA 0.256 63.315 63.100 -0.068 0.000 0.776 29 P CB 0.704 32.325 31.700 -0.131 0.000 0.888 30 T N 2.006 116.466 114.554 -0.157 0.000 2.903 30 T HA 0.567 4.931 4.350 0.024 0.000 0.299 30 T C -0.858 173.699 174.700 -0.238 0.000 1.093 30 T CA -0.595 61.377 62.100 -0.214 0.000 1.002 30 T CB 0.326 69.183 68.868 -0.017 0.000 1.127 30 T HN 0.046 nan 8.240 nan 0.000 0.488 31 F N 4.259 124.211 119.950 0.004 0.000 2.471 31 F HA 0.391 4.933 4.527 0.024 0.000 0.353 31 F C -1.348 174.372 175.800 -0.133 0.000 1.113 31 F CA -1.653 56.286 58.000 -0.102 0.000 1.262 31 F CB 0.199 39.032 39.000 -0.278 0.000 1.146 31 F HN 0.332 nan 8.300 nan 0.000 0.578 32 P HA 0.239 nan 4.420 nan 0.000 0.276 32 P C -0.799 176.491 177.300 -0.016 0.000 1.230 32 P CA -0.472 62.644 63.100 0.025 0.000 0.776 32 P CB 0.816 32.571 31.700 0.091 0.000 0.888 33 A N 3.639 126.455 122.820 -0.007 0.000 2.531 33 A HA 0.073 4.407 4.320 0.024 0.000 0.236 33 A C 0.352 177.953 177.584 0.030 0.000 1.062 33 A CA -0.243 51.792 52.037 -0.004 0.000 0.760 33 A CB -0.455 18.544 19.000 -0.001 0.000 0.995 33 A HN 0.609 nan 8.150 nan 0.000 0.501 34 L N 2.107 123.355 121.223 0.042 0.000 2.543 34 L HA 0.360 4.714 4.340 0.024 0.000 0.285 34 L C 1.526 178.442 176.870 0.077 0.000 1.236 34 L CA 2.171 57.065 54.840 0.091 0.000 0.871 34 L CB 0.115 42.225 42.059 0.084 0.000 1.121 34 L HN 1.588 nan 8.230 nan 0.000 0.501 35 G N 1.666 110.524 108.800 0.098 0.000 2.179 35 G HA2 -0.252 3.723 3.960 0.024 0.000 0.260 35 G HA3 -0.252 3.723 3.960 0.024 0.000 0.260 35 G C 0.309 175.245 174.900 0.061 0.000 0.977 35 G CA 0.579 45.721 45.100 0.069 0.000 0.641 35 G HN 1.106 nan 8.290 nan 0.000 0.533 36 T N -1.433 113.166 114.554 0.076 0.000 2.906 36 T HA 0.800 5.165 4.350 0.024 0.000 0.295 36 T C -0.416 174.379 174.700 0.158 0.000 1.075 36 T CA -0.381 61.738 62.100 0.031 0.000 1.005 36 T CB 2.487 71.318 68.868 -0.062 0.000 1.136 36 T HN 1.499 nan 8.240 nan 0.000 0.498 37 F N -0.508 119.481 119.950 0.065 0.000 2.561 37 F HA 0.864 5.398 4.527 0.011 0.000 0.321 37 F C -0.472 175.390 175.800 0.103 0.000 1.065 37 F CA -1.112 56.977 58.000 0.147 0.000 0.934 37 F CB 1.547 40.614 39.000 0.112 0.000 1.215 37 F HN 0.570 nan 8.300 nan 0.000 0.471 38 S N 2.386 118.275 115.700 0.314 0.000 2.541 38 S HA 0.587 5.071 4.470 0.024 0.000 0.283 38 S C -0.773 173.944 174.600 0.195 0.000 1.196 38 S CA -0.826 57.425 58.200 0.085 0.000 1.062 38 S CB 1.181 64.401 63.200 0.033 0.000 1.009 38 S HN 0.748 nan 8.310 nan 0.000 0.502 39 R N 2.048 122.503 120.500 -0.076 0.000 2.575 39 R HA 0.401 4.756 4.340 0.024 0.000 0.293 39 R C -2.050 173.978 176.300 -0.454 0.000 0.983 39 R CA -0.457 55.514 56.100 -0.214 0.000 0.887 39 R CB 0.952 31.196 30.300 -0.095 0.000 1.184 39 R HN 0.648 nan 8.270 nan 0.000 0.445 40 Y N 1.607 121.721 120.300 -0.311 0.000 2.352 40 Y HA 0.310 4.877 4.550 0.027 0.000 0.339 40 Y C -0.053 175.834 175.900 -0.021 0.000 0.992 40 Y CA -0.476 57.541 58.100 -0.139 0.000 1.100 40 Y CB 1.998 40.358 38.460 -0.167 0.000 1.192 40 Y HN 0.548 nan 8.280 nan 0.000 0.458 41 E N 1.847 122.146 120.200 0.166 0.000 2.234 41 E HA 0.645 5.010 4.350 0.024 0.000 0.266 41 E C -1.491 175.309 176.600 0.333 0.000 0.877 41 E CA -0.564 55.939 56.400 0.171 0.000 0.758 41 E CB 1.281 30.923 29.700 -0.098 0.000 1.170 41 E HN 0.580 nan 8.360 nan 0.000 0.415 42 S N 1.971 117.903 115.700 0.387 0.000 2.513 42 S HA 0.623 5.107 4.470 0.024 0.000 0.299 42 S C -0.867 173.929 174.600 0.327 0.000 1.087 42 S CA -0.709 57.722 58.200 0.384 0.000 1.012 42 S CB 1.782 65.307 63.200 0.541 0.000 1.044 42 S HN 0.657 nan 8.310 nan 0.000 0.485 43 T N -0.972 113.621 114.554 0.065 0.000 2.896 43 T HA 0.482 4.847 4.350 0.024 0.000 0.297 43 T C 0.724 174.809 174.700 -1.024 0.000 1.108 43 T CA -0.948 60.956 62.100 -0.327 0.000 1.004 43 T CB 1.630 70.410 68.868 -0.146 0.000 1.159 43 T HN 0.442 nan 8.240 nan 0.000 0.499 44 R N 0.840 120.400 120.500 -1.567 0.000 2.120 44 R HA -0.107 4.248 4.340 0.024 0.000 0.234 44 R C 2.174 178.146 176.300 -0.547 0.000 1.123 44 R CA 2.077 57.329 56.100 -1.415 0.000 0.975 44 R CB -0.714 28.821 30.300 -1.275 0.000 0.866 44 R HN 0.830 nan 8.270 nan 0.000 0.446 45 S N -1.627 113.853 115.700 -0.367 0.000 2.474 45 S HA 0.015 4.499 4.470 0.024 0.000 0.235 45 S C 1.333 175.847 174.600 -0.142 0.000 0.997 45 S CA 1.045 59.133 58.200 -0.188 0.000 0.949 45 S CB 0.352 63.479 63.200 -0.121 0.000 0.766 45 S HN 0.570 nan 8.310 nan 0.000 0.517 46 G N 0.381 109.083 108.800 -0.163 0.000 2.425 46 G HA2 -0.101 3.874 3.960 0.024 0.000 0.177 46 G HA3 -0.101 3.874 3.960 0.024 0.000 0.177 46 G C 0.028 174.889 174.900 -0.066 0.000 0.999 46 G CA -0.653 44.393 45.100 -0.090 0.000 0.723 46 G HN 0.463 nan 8.290 nan 0.000 0.491 47 R N 0.637 121.104 120.500 -0.054 0.000 2.590 47 R HA 0.530 4.885 4.340 0.024 0.000 0.274 47 R C -0.251 176.053 176.300 0.007 0.000 1.061 47 R CA 0.028 56.120 56.100 -0.012 0.000 1.081 47 R CB 0.405 30.718 30.300 0.021 0.000 0.984 47 R HN -0.004 nan 8.270 nan 0.000 0.448 48 R N 3.689 124.174 120.500 -0.026 0.000 2.472 48 R HA 0.173 4.528 4.340 0.024 0.000 0.294 48 R C -0.133 176.214 176.300 0.080 0.000 1.243 48 R CA -0.544 55.483 56.100 -0.123 0.000 1.023 48 R CB 1.126 31.138 30.300 -0.480 0.000 1.157 48 R HN 0.793 nan 8.270 nan 0.000 0.530 49 M N 0.594 120.369 119.600 0.292 0.000 2.175 49 M HA -0.260 4.234 4.480 0.024 0.000 0.192 49 M C 0.100 176.679 176.300 0.466 0.000 0.473 49 M CA 1.150 56.715 55.300 0.441 0.000 0.414 49 M CB -1.021 31.923 32.600 0.573 0.000 1.069 49 M HN 0.488 nan 8.290 nan 0.000 0.933 50 E N 1.328 121.673 120.200 0.243 0.000 2.289 50 E HA 0.429 4.794 4.350 0.024 0.000 0.278 50 E C -0.694 175.889 176.600 -0.029 0.000 1.032 50 E CA -0.696 55.766 56.400 0.105 0.000 0.854 50 E CB 0.928 30.650 29.700 0.037 0.000 1.046 50 E HN 0.382 nan 8.360 nan 0.000 0.409 51 L N 4.487 125.631 121.223 -0.132 0.000 2.292 51 L HA 0.393 4.748 4.340 0.024 0.000 0.284 51 L C -0.725 175.977 176.870 -0.280 0.000 1.065 51 L CA 0.246 54.822 54.840 -0.440 0.000 0.806 51 L CB 1.217 43.025 42.059 -0.419 0.000 1.175 51 L HN 0.656 nan 8.230 nan 0.000 0.431 52 S N 5.369 120.880 115.700 -0.315 0.000 2.732 52 S HA 0.829 5.314 4.470 0.024 0.000 0.293 52 S C -0.812 173.631 174.600 -0.262 0.000 1.159 52 S CA -0.947 57.119 58.200 -0.223 0.000 0.847 52 S CB 1.644 64.751 63.200 -0.156 0.000 1.169 52 S HN 0.853 nan 8.310 nan 0.000 0.501 53 M N 0.887 120.320 119.600 -0.279 0.000 2.484 53 M HA 0.712 5.207 4.480 0.024 0.000 0.289 53 M C -0.895 175.061 176.300 -0.573 0.000 1.206 53 M CA -0.005 55.039 55.300 -0.426 0.000 0.892 53 M CB 1.491 33.920 32.600 -0.285 0.000 1.712 53 M HN 1.183 nan 8.290 nan 0.000 0.462 54 G N 3.152 111.265 108.800 -1.145 0.000 2.766 54 G HA2 0.842 4.816 3.960 0.024 0.000 0.288 54 G HA3 0.842 4.816 3.960 0.024 0.000 0.288 54 G C -3.318 171.190 174.900 -0.653 0.000 1.408 54 G CA -0.940 43.656 45.100 -0.840 0.000 0.852 54 G HN 0.473 nan 8.290 nan 0.000 0.487 55 P HA 0.415 nan 4.420 nan 0.000 0.284 55 P C -0.512 176.906 177.300 0.197 0.000 1.253 55 P CA -0.326 62.779 63.100 0.007 0.000 0.800 55 P CB 1.686 33.399 31.700 0.021 0.000 0.961 56 I N 2.732 123.388 120.570 0.143 0.000 2.312 56 I HA 0.187 4.371 4.170 0.024 0.000 0.291 56 I C 0.996 177.156 176.117 0.071 0.000 1.031 56 I CA -0.238 61.115 61.300 0.089 0.000 1.293 56 I CB 0.326 38.325 38.000 -0.001 0.000 1.403 56 I HN 0.184 nan 8.210 nan 0.000 0.484 57 Q N 3.844 123.702 119.800 0.098 0.000 2.214 57 Q HA 0.483 4.837 4.340 0.024 0.000 0.251 57 Q C 0.766 176.877 176.000 0.185 0.000 0.936 57 Q CA -0.551 55.322 55.803 0.117 0.000 0.894 57 Q CB 2.067 30.870 28.738 0.110 0.000 1.252 57 Q HN 0.823 nan 8.270 nan 0.000 0.448 58 A N 2.078 124.987 122.820 0.148 0.000 2.016 58 A HA -0.001 4.333 4.320 0.024 0.000 0.217 58 A C 0.542 178.289 177.584 0.272 0.000 1.162 58 A CA 1.276 53.418 52.037 0.175 0.000 0.662 58 A CB 0.079 19.137 19.000 0.097 0.000 0.812 58 A HN 0.771 nan 8.150 nan 0.000 0.450 59 N N -2.948 115.833 118.700 0.135 0.000 3.204 59 N HA 0.422 5.176 4.740 0.024 0.000 0.285 59 N C -1.351 173.884 175.510 -0.459 0.000 1.536 59 N CA -0.578 52.411 53.050 -0.103 0.000 0.832 59 N CB 1.243 39.693 38.487 -0.062 0.000 1.645 59 N HN 0.305 nan 8.380 nan 0.000 0.586 60 H N -1.008 117.531 119.070 -0.886 0.000 3.085 60 H HA 0.261 4.828 4.556 0.020 0.000 0.356 60 H C -0.817 174.221 175.328 -0.484 0.000 1.178 60 H CA -0.164 55.406 56.048 -0.795 0.000 1.214 60 H CB 1.581 30.520 29.762 -1.372 0.000 1.881 60 H HN 0.762 nan 8.280 nan 0.000 0.538 61 T N 0.097 114.085 114.554 -0.944 0.000 3.238 61 T HA 0.159 4.524 4.350 0.024 0.000 0.242 61 T C 1.707 175.989 174.700 -0.696 0.000 0.980 61 T CA 0.607 62.312 62.100 -0.658 0.000 1.235 61 T CB -0.666 68.005 68.868 -0.327 0.000 1.069 61 T HN 0.532 nan 8.240 nan 0.000 0.407 62 G N 2.049 110.497 108.800 -0.586 0.000 3.318 62 G HA2 0.335 4.310 3.960 0.024 0.000 0.230 62 G HA3 0.335 4.310 3.960 0.024 0.000 0.230 62 G C 0.582 175.413 174.900 -0.115 0.000 1.317 62 G CA 0.410 45.360 45.100 -0.250 0.000 1.197 62 G HN 0.878 nan 8.290 nan 0.000 0.514 63 T N -2.404 112.103 114.554 -0.078 0.000 4.093 63 T HA -0.207 4.158 4.350 0.024 0.000 0.334 63 T C 1.262 175.987 174.700 0.041 0.000 0.773 63 T CA 0.606 62.713 62.100 0.011 0.000 1.900 63 T CB -1.830 67.031 68.868 -0.011 0.000 1.911 63 T HN 0.981 nan 8.240 nan 0.000 0.844 64 G N -0.258 108.589 108.800 0.077 0.000 2.563 64 G HA2 0.554 4.528 3.960 0.024 0.000 0.283 64 G HA3 0.554 4.528 3.960 0.024 0.000 0.283 64 G C 0.095 175.029 174.900 0.057 0.000 1.309 64 G CA -1.002 44.134 45.100 0.061 0.000 1.022 64 G HN 0.585 nan 8.290 nan 0.000 0.501 65 L N -0.479 120.758 121.223 0.024 0.000 2.513 65 L HA 0.378 4.732 4.340 0.024 0.000 0.272 65 L C -0.298 176.562 176.870 -0.016 0.000 1.187 65 L CA -0.032 54.812 54.840 0.007 0.000 0.895 65 L CB 0.590 42.646 42.059 -0.006 0.000 1.147 65 L HN 0.321 nan 8.230 nan 0.000 0.483 66 L N 6.349 127.569 121.223 -0.006 0.000 2.333 66 L HA 0.541 4.895 4.340 0.024 0.000 0.280 66 L C -1.265 175.590 176.870 -0.025 0.000 1.004 66 L CA -0.259 54.561 54.840 -0.032 0.000 0.820 66 L CB 1.410 43.484 42.059 0.023 0.000 1.247 66 L HN 0.523 nan 8.230 nan 0.000 0.416 67 L N 4.947 126.138 121.223 -0.054 0.000 2.265 67 L HA 0.503 4.858 4.340 0.024 0.000 0.289 67 L C -0.248 176.599 176.870 -0.039 0.000 1.033 67 L CA -0.457 54.362 54.840 -0.035 0.000 0.814 67 L CB 1.282 43.320 42.059 -0.035 0.000 1.203 67 L HN 0.572 nan 8.230 nan 0.000 0.423 68 T N 3.913 118.460 114.554 -0.013 0.000 2.749 68 T HA 0.345 4.710 4.350 0.024 0.000 0.287 68 T C -0.079 174.628 174.700 0.011 0.000 0.970 68 T CA -0.483 61.606 62.100 -0.019 0.000 0.980 68 T CB 1.567 70.430 68.868 -0.008 0.000 0.924 68 T HN 0.239 nan 8.240 nan 0.000 0.456 69 L N 3.854 125.091 121.223 0.023 0.000 2.490 69 L HA 0.140 4.494 4.340 0.024 0.000 0.274 69 L C 0.318 177.211 176.870 0.038 0.000 1.201 69 L CA 0.728 55.605 54.840 0.063 0.000 0.869 69 L CB 0.320 42.453 42.059 0.124 0.000 1.123 69 L HN 0.631 nan 8.230 nan 0.000 0.484 70 Q N 7.045 126.873 119.800 0.046 0.000 2.721 70 Q HA 0.257 4.612 4.340 0.024 0.000 0.257 70 Q C -1.675 174.332 176.000 0.011 0.000 1.070 70 Q CA -1.524 54.297 55.803 0.030 0.000 0.910 70 Q CB 0.937 29.702 28.738 0.046 0.000 1.163 70 Q HN 0.540 nan 8.270 nan 0.000 0.501 71 P HA -0.154 nan 4.420 nan 0.000 0.225 71 P C 0.293 177.566 177.300 -0.045 0.000 1.148 71 P CA 1.101 64.191 63.100 -0.016 0.000 0.779 71 P CB 0.541 32.236 31.700 -0.008 0.000 0.780 72 E N -0.590 119.581 120.200 -0.049 0.000 2.474 72 E HA 0.082 4.446 4.350 0.024 0.000 0.195 72 E C 0.623 177.150 176.600 -0.123 0.000 1.039 72 E CA 0.166 56.523 56.400 -0.071 0.000 0.881 72 E CB -0.004 29.668 29.700 -0.047 0.000 0.970 72 E HN 0.481 nan 8.360 nan 0.000 0.486 73 Q N 1.672 121.381 119.800 -0.152 0.000 2.465 73 Q HA 0.186 4.540 4.340 0.024 0.000 0.237 73 Q C -0.435 175.202 176.000 -0.606 0.000 1.051 73 Q CA -0.187 55.426 55.803 -0.317 0.000 0.874 73 Q CB 0.893 29.544 28.738 -0.145 0.000 1.207 73 Q HN -0.179 nan 8.270 nan 0.000 0.508 74 K N 3.046 123.044 120.400 -0.670 0.000 2.206 74 K HA 0.437 4.771 4.320 0.024 0.000 0.264 74 K C -0.448 175.676 176.600 -0.795 0.000 0.967 74 K CA -0.162 55.802 56.287 -0.538 0.000 0.844 74 K CB 1.130 33.487 32.500 -0.237 0.000 1.099 74 K HN 0.286 nan 8.250 nan 0.000 0.441 75 F N 0.407 120.373 119.950 0.026 0.000 3.022 75 F HA 0.166 4.707 4.527 0.024 0.000 0.193 75 F C 1.240 177.072 175.800 0.053 0.000 1.462 75 F CA -0.754 57.270 58.000 0.039 0.000 0.914 75 F CB -0.223 38.777 39.000 0.001 0.000 2.028 75 F HN 0.336 nan 8.300 nan 0.000 0.451 76 Q N 2.358 122.337 119.800 0.298 0.000 2.421 76 Q HA 0.178 4.533 4.340 0.024 0.000 0.255 76 Q C -1.229 174.854 176.000 0.139 0.000 1.013 76 Q CA 0.022 55.937 55.803 0.187 0.000 0.895 76 Q CB 0.867 29.701 28.738 0.161 0.000 1.271 76 Q HN 0.466 nan 8.270 nan 0.000 0.460 77 K N 1.428 121.896 120.400 0.114 0.000 2.130 77 K HA 0.382 4.717 4.320 0.024 0.000 0.268 77 K C -0.665 175.980 176.600 0.076 0.000 0.983 77 K CA -0.799 55.541 56.287 0.088 0.000 0.893 77 K CB 1.824 34.368 32.500 0.074 0.000 1.066 77 K HN 0.442 nan 8.250 nan 0.000 0.450 78 V N 3.699 123.648 119.914 0.058 0.000 2.530 78 V HA -0.002 4.133 4.120 0.024 0.000 0.282 78 V C 1.301 177.381 176.094 -0.023 0.000 1.048 78 V CA 0.080 62.392 62.300 0.020 0.000 0.997 78 V CB 1.184 33.037 31.823 0.051 0.000 0.987 78 V HN 0.745 nan 8.190 nan 0.000 0.477 79 K N 3.682 124.050 120.400 -0.052 0.000 2.067 79 K HA 0.344 4.678 4.320 0.024 0.000 0.203 79 K C 0.661 177.141 176.600 -0.201 0.000 1.048 79 K CA 1.382 57.587 56.287 -0.138 0.000 0.954 79 K CB 0.003 32.417 32.500 -0.145 0.000 0.737 79 K HN 0.992 nan 8.250 nan 0.000 0.444 80 G N -1.975 106.665 108.800 -0.266 0.000 2.356 80 G HA2 0.293 4.267 3.960 0.024 0.000 0.288 80 G HA3 0.293 4.267 3.960 0.024 0.000 0.288 80 G C -1.629 172.895 174.900 -0.627 0.000 1.302 80 G CA -0.929 43.994 45.100 -0.295 0.000 0.887 80 G HN 0.007 nan 8.290 nan 0.000 0.521 81 F N -0.237 119.677 119.950 -0.061 0.000 2.588 81 F HA 0.852 5.395 4.527 0.026 0.000 0.310 81 F C 0.795 176.329 175.800 -0.444 0.000 1.082 81 F CA 0.526 58.429 58.000 -0.163 0.000 0.929 81 F CB 2.486 41.414 39.000 -0.119 0.000 1.254 81 F HN 1.213 nan 8.300 nan 0.000 0.455 82 G N 0.107 108.603 108.800 -0.507 0.000 2.450 82 G HA2 0.599 4.574 3.960 0.024 0.000 0.273 82 G HA3 0.599 4.574 3.960 0.024 0.000 0.273 82 G C -1.189 173.334 174.900 -0.629 0.000 1.221 82 G CA -0.004 44.478 45.100 -1.031 0.000 0.900 82 G HN 1.100 nan 8.290 nan 0.000 0.483 83 G N -1.653 107.014 108.800 -0.221 0.000 2.619 83 G HA2 0.745 4.720 3.960 0.024 0.000 0.305 83 G HA3 0.745 4.720 3.960 0.024 0.000 0.305 83 G C -1.226 173.738 174.900 0.108 0.000 1.330 83 G CA 0.494 45.592 45.100 -0.002 0.000 0.789 83 G HN 1.768 nan 8.290 nan 0.000 0.487 84 A N -0.195 122.705 122.820 0.133 0.000 2.260 84 A HA 0.617 4.952 4.320 0.024 0.000 0.314 84 A C -0.043 177.587 177.584 0.076 0.000 1.257 84 A CA -0.547 51.595 52.037 0.175 0.000 0.871 84 A CB 1.057 20.260 19.000 0.339 0.000 1.166 84 A HN 0.710 nan 8.150 nan 0.000 0.522 85 M N 4.270 123.946 119.600 0.126 0.000 3.237 85 M HA 0.172 4.666 4.480 0.024 0.000 0.266 85 M C 0.762 177.096 176.300 0.057 0.000 1.456 85 M CA -0.052 55.301 55.300 0.089 0.000 1.593 85 M CB -1.019 31.657 32.600 0.127 0.000 1.129 85 M HN 0.763 nan 8.290 nan 0.000 0.547 86 T N -1.348 113.169 114.554 -0.061 0.000 2.754 86 T HA 0.251 4.616 4.350 0.024 0.000 0.286 86 T C 0.849 175.532 174.700 -0.029 0.000 0.997 86 T CA -0.699 61.339 62.100 -0.102 0.000 0.982 86 T CB 0.699 69.361 68.868 -0.342 0.000 1.027 86 T HN 0.463 nan 8.240 nan 0.000 0.529 87 D N 0.677 121.080 120.400 0.006 0.000 2.117 87 D HA -0.049 4.605 4.640 0.024 0.000 0.197 87 D C 2.370 178.692 176.300 0.037 0.000 0.987 87 D CA 1.663 55.694 54.000 0.053 0.000 0.829 87 D CB -0.831 40.025 40.800 0.094 0.000 0.961 87 D HN 0.721 nan 8.370 nan 0.000 0.460 88 A N 1.167 124.009 122.820 0.037 0.000 1.877 88 A HA -0.089 4.245 4.320 0.024 0.000 0.216 88 A C 2.341 179.924 177.584 -0.002 0.000 1.186 88 A CA 2.451 54.523 52.037 0.059 0.000 0.620 88 A CB -0.848 18.260 19.000 0.180 0.000 0.822 88 A HN 0.240 nan 8.150 nan 0.000 0.443 89 A N -0.143 122.636 122.820 -0.068 0.000 1.865 89 A HA 0.095 4.429 4.320 0.024 0.000 0.217 89 A C 2.548 180.126 177.584 -0.010 0.000 1.191 89 A CA 2.486 54.489 52.037 -0.057 0.000 0.623 89 A CB -1.153 17.799 19.000 -0.080 0.000 0.826 89 A HN 1.131 nan 8.150 nan 0.000 0.444 90 A N -0.621 122.201 122.820 0.004 0.000 1.898 90 A HA -0.006 4.328 4.320 0.024 0.000 0.216 90 A C 2.198 179.788 177.584 0.009 0.000 1.181 90 A CA 1.667 53.712 52.037 0.014 0.000 0.620 90 A CB -0.669 18.347 19.000 0.027 0.000 0.819 90 A HN 0.819 nan 8.150 nan 0.000 0.442 91 L N 0.274 121.505 121.223 0.015 0.000 2.046 91 L HA -0.199 4.155 4.340 0.024 0.000 0.208 91 L C 1.984 178.859 176.870 0.009 0.000 1.077 91 L CA 2.267 57.116 54.840 0.015 0.000 0.747 91 L CB -0.587 41.488 42.059 0.026 0.000 0.896 91 L HN 0.329 nan 8.230 nan 0.000 0.432 92 N N 0.218 118.922 118.700 0.007 0.000 2.069 92 N HA -0.208 4.546 4.740 0.024 0.000 0.191 92 N C 1.945 177.444 175.510 -0.019 0.000 1.031 92 N CA 2.244 55.292 53.050 -0.002 0.000 0.852 92 N CB -0.371 38.114 38.487 -0.004 0.000 1.018 92 N HN 0.458 nan 8.380 nan 0.000 0.423 93 I N 1.116 121.669 120.570 -0.028 0.000 2.179 93 I HA -0.230 3.955 4.170 0.024 0.000 0.242 93 I C 1.954 178.050 176.117 -0.035 0.000 1.088 93 I CA 0.949 62.217 61.300 -0.053 0.000 1.357 93 I CB -0.252 37.726 38.000 -0.037 0.000 1.051 93 I HN 0.043 nan 8.210 nan 0.000 0.409 94 L N 0.444 121.658 121.223 -0.016 0.000 2.465 94 L HA -0.065 4.289 4.340 0.024 0.000 0.224 94 L C 2.464 179.332 176.870 -0.004 0.000 1.145 94 L CA 0.477 55.312 54.840 -0.009 0.000 0.834 94 L CB -0.457 41.600 42.059 -0.004 0.000 0.944 94 L HN 0.221 nan 8.230 nan 0.000 0.451 95 A N -0.480 122.338 122.820 -0.004 0.000 2.169 95 A HA 0.163 4.497 4.320 0.024 0.000 0.212 95 A C 1.134 178.721 177.584 0.005 0.000 1.153 95 A CA 0.063 52.101 52.037 0.002 0.000 0.756 95 A CB -0.115 18.888 19.000 0.005 0.000 0.813 95 A HN 0.224 nan 8.150 nan 0.000 0.471 96 L N 0.947 122.171 121.223 0.001 0.000 2.466 96 L HA 0.204 4.559 4.340 0.024 0.000 0.257 96 L C 1.108 177.988 176.870 0.016 0.000 1.189 96 L CA -0.429 54.419 54.840 0.015 0.000 0.813 96 L CB 0.895 42.962 42.059 0.013 0.000 1.118 96 L HN 0.393 nan 8.230 nan 0.000 0.471 97 S N 0.534 116.250 115.700 0.027 0.000 2.593 97 S HA 0.177 4.662 4.470 0.024 0.000 0.269 97 S C -1.929 172.684 174.600 0.023 0.000 1.334 97 S CA -1.104 57.109 58.200 0.022 0.000 1.015 97 S CB 0.912 64.127 63.200 0.025 0.000 0.912 97 S HN 0.394 nan 8.310 nan 0.000 0.541 98 P HA -0.069 nan 4.420 nan 0.000 0.216 98 P C -1.527 175.787 177.300 0.022 0.000 1.157 98 P CA 1.556 64.664 63.100 0.015 0.000 0.880 98 P CB -1.265 30.442 31.700 0.012 0.000 0.791 99 P HA -0.121 nan 4.420 nan 0.000 0.217 99 P C 1.440 178.779 177.300 0.064 0.000 1.150 99 P CA 1.907 65.030 63.100 0.038 0.000 0.832 99 P CB -0.639 31.082 31.700 0.035 0.000 0.787 100 A N -0.294 122.577 122.820 0.084 0.000 1.898 100 A HA -0.247 4.088 4.320 0.024 0.000 0.216 100 A C 2.247 179.884 177.584 0.088 0.000 1.181 100 A CA 1.502 53.640 52.037 0.169 0.000 0.620 100 A CB -1.330 17.781 19.000 0.184 0.000 0.819 100 A HN 0.166 nan 8.150 nan 0.000 0.442 101 Q N -0.097 119.708 119.800 0.007 0.000 2.077 101 Q HA -0.203 4.151 4.340 0.024 0.000 0.206 101 Q C 1.856 177.831 176.000 -0.043 0.000 0.989 101 Q CA 1.631 57.400 55.803 -0.058 0.000 0.853 101 Q CB -0.272 28.451 28.738 -0.026 0.000 0.907 101 Q HN 0.640 nan 8.270 nan 0.000 0.418 102 N N 0.522 119.226 118.700 0.007 0.000 2.120 102 N HA -0.112 4.643 4.740 0.024 0.000 0.188 102 N C 1.865 177.399 175.510 0.040 0.000 1.024 102 N CA 1.001 54.066 53.050 0.025 0.000 0.852 102 N CB -0.219 38.286 38.487 0.030 0.000 1.003 102 N HN 0.240 nan 8.380 nan 0.000 0.424 103 L N 0.745 122.011 121.223 0.072 0.000 2.131 103 L HA -0.104 4.250 4.340 0.024 0.000 0.210 103 L C 2.405 179.337 176.870 0.103 0.000 1.092 103 L CA 0.642 55.562 54.840 0.133 0.000 0.759 103 L CB -0.379 41.817 42.059 0.228 0.000 0.903 103 L HN 0.146 nan 8.230 nan 0.000 0.435 104 L N -0.362 120.756 121.223 -0.174 0.000 2.044 104 L HA -0.175 4.179 4.340 0.024 0.000 0.205 104 L C 2.440 179.199 176.870 -0.184 0.000 1.075 104 L CA 1.235 55.702 54.840 -0.622 0.000 0.747 104 L CB -0.023 41.385 42.059 -1.085 0.000 0.903 104 L HN 0.157 nan 8.230 nan 0.000 0.435 105 L N -0.393 120.828 121.223 -0.003 0.000 2.141 105 L HA -0.199 4.156 4.340 0.024 0.000 0.209 105 L C 2.594 179.644 176.870 0.299 0.000 1.094 105 L CA 1.126 56.115 54.840 0.249 0.000 0.763 105 L CB -0.504 41.662 42.059 0.179 0.000 0.908 105 L HN 0.230 nan 8.230 nan 0.000 0.437 106 K N -0.306 120.186 120.400 0.152 0.000 2.097 106 K HA -0.119 4.215 4.320 0.024 0.000 0.206 106 K C 2.325 178.991 176.600 0.109 0.000 1.049 106 K CA 1.418 57.788 56.287 0.137 0.000 0.933 106 K CB -0.083 32.470 32.500 0.089 0.000 0.717 106 K HN 0.163 nan 8.250 nan 0.000 0.442 107 S N 0.209 115.934 115.700 0.043 0.000 2.370 107 S HA -0.158 4.327 4.470 0.024 0.000 0.226 107 S C 1.775 176.398 174.600 0.038 0.000 1.033 107 S CA 1.310 59.518 58.200 0.014 0.000 1.011 107 S CB -0.267 62.800 63.200 -0.221 0.000 0.852 107 S HN 0.349 nan 8.310 nan 0.000 0.457 108 Y N -1.071 119.152 120.300 -0.129 0.000 2.269 108 Y HA 0.095 4.659 4.550 0.024 0.000 0.294 108 Y C 1.581 177.047 175.900 -0.722 0.000 1.120 108 Y CA 0.660 58.344 58.100 -0.693 0.000 1.159 108 Y CB 0.093 37.921 38.460 -1.054 0.000 1.024 108 Y HN 0.213 nan 8.280 nan 0.000 0.532 109 F N -1.847 118.180 119.950 0.129 0.000 2.717 109 F HA 0.142 4.684 4.527 0.026 0.000 0.297 109 F C 1.215 177.061 175.800 0.076 0.000 1.113 109 F CA -0.257 57.814 58.000 0.117 0.000 1.319 109 F CB 0.326 39.399 39.000 0.121 0.000 1.097 109 F HN -0.262 nan 8.300 nan 0.000 0.595 110 S N 0.088 115.905 115.700 0.196 0.000 2.672 110 S HA 0.130 4.614 4.470 0.024 0.000 0.276 110 S C 1.333 175.976 174.600 0.070 0.000 1.207 110 S CA -0.572 57.708 58.200 0.133 0.000 1.002 110 S CB 0.958 64.232 63.200 0.122 0.000 0.998 110 S HN 0.122 nan 8.310 nan 0.000 0.542 111 E N 1.576 121.805 120.200 0.048 0.000 2.268 111 E HA -0.088 4.277 4.350 0.024 0.000 0.195 111 E C 1.070 177.685 176.600 0.025 0.000 0.995 111 E CA 0.941 57.339 56.400 -0.004 0.000 0.836 111 E CB -0.132 29.568 29.700 -0.001 0.000 0.763 111 E HN 0.654 nan 8.360 nan 0.000 0.491 112 E N 0.067 120.325 120.200 0.095 0.000 2.502 112 E HA 0.089 4.454 4.350 0.024 0.000 0.194 112 E C 0.852 177.633 176.600 0.302 0.000 1.062 112 E CA 0.318 56.831 56.400 0.187 0.000 0.867 112 E CB 0.335 30.109 29.700 0.125 0.000 0.888 112 E HN 0.228 nan 8.360 nan 0.000 0.510 113 G N 0.261 109.189 108.800 0.214 0.000 3.234 113 G HA2 0.365 4.339 3.960 0.024 0.000 0.159 113 G HA3 0.365 4.339 3.960 0.024 0.000 0.159 113 G C 0.410 175.351 174.900 0.069 0.000 1.175 113 G CA -0.395 44.855 45.100 0.249 0.000 0.900 113 G HN 0.207 nan 8.290 nan 0.000 0.621 114 I N -2.141 118.378 120.570 -0.085 0.000 3.914 114 I HA 0.505 4.690 4.170 0.024 0.000 0.333 114 I C 1.197 177.169 176.117 -0.242 0.000 1.449 114 I CA 0.312 61.426 61.300 -0.310 0.000 1.135 114 I CB 0.411 38.104 38.000 -0.512 0.000 1.073 114 I HN 0.817 nan 8.210 nan 0.000 0.401 115 G N 1.132 109.854 108.800 -0.130 0.000 2.249 115 G HA2 -0.329 3.645 3.960 0.024 0.000 0.273 115 G HA3 -0.329 3.645 3.960 0.024 0.000 0.273 115 G C 0.076 175.059 174.900 0.138 0.000 1.036 115 G CA -0.028 45.058 45.100 -0.024 0.000 0.824 115 G HN 0.656 nan 8.290 nan 0.000 0.504 116 Y N 0.407 120.643 120.300 -0.107 0.000 2.805 116 Y HA 0.033 4.597 4.550 0.024 0.000 0.337 116 Y C 1.683 177.652 175.900 0.114 0.000 1.252 116 Y CA 0.558 58.618 58.100 -0.067 0.000 1.515 116 Y CB 0.509 38.720 38.460 -0.416 0.000 1.305 116 Y HN 0.464 nan 8.280 nan 0.000 0.600 117 N N 2.860 121.683 118.700 0.205 0.000 2.184 117 N HA 0.157 4.912 4.740 0.024 0.000 0.234 117 N C -0.936 174.626 175.510 0.088 0.000 1.282 117 N CA 0.159 53.306 53.050 0.160 0.000 0.877 117 N CB 0.376 38.908 38.487 0.075 0.000 1.184 117 N HN 0.391 nan 8.380 nan 0.000 0.510 118 I N 1.302 121.926 120.570 0.089 0.000 2.545 118 I HA 0.486 4.670 4.170 0.024 0.000 0.292 118 I C -0.743 175.478 176.117 0.173 0.000 1.040 118 I CA -0.866 60.486 61.300 0.087 0.000 1.068 118 I CB 2.208 40.257 38.000 0.081 0.000 1.251 118 I HN -0.167 nan 8.210 nan 0.000 0.424 119 I N 5.236 125.927 120.570 0.201 0.000 2.447 119 I HA 0.394 4.578 4.170 0.024 0.000 0.287 119 I C -0.096 176.169 176.117 0.247 0.000 1.023 119 I CA -0.584 60.852 61.300 0.226 0.000 1.083 119 I CB 2.102 40.221 38.000 0.200 0.000 1.245 119 I HN 0.532 nan 8.210 nan 0.000 0.434 120 R N 5.499 126.157 120.500 0.264 0.000 2.308 120 R HA 0.621 4.975 4.340 0.024 0.000 0.305 120 R C -1.394 175.101 176.300 0.324 0.000 1.053 120 R CA -0.332 55.958 56.100 0.317 0.000 0.957 120 R CB 1.116 31.609 30.300 0.322 0.000 1.022 120 R HN 0.468 nan 8.270 nan 0.000 0.461 121 V N 7.398 127.531 119.914 0.364 0.000 2.376 121 V HA 0.336 4.471 4.120 0.024 0.000 0.287 121 V C -2.221 174.044 176.094 0.285 0.000 1.015 121 V CA -2.245 60.264 62.300 0.348 0.000 0.834 121 V CB 1.530 33.640 31.823 0.478 0.000 1.001 121 V HN 0.844 nan 8.190 nan 0.000 0.428 122 P HA 0.216 nan 4.420 nan 0.000 0.268 122 P C -0.293 177.050 177.300 0.073 0.000 1.204 122 P CA 0.024 63.237 63.100 0.188 0.000 0.768 122 P CB 0.400 32.052 31.700 -0.080 0.000 0.842 123 M N 3.339 122.899 119.600 -0.067 0.000 2.201 123 M HA 0.408 4.903 4.480 0.024 0.000 0.345 123 M C 0.772 176.943 176.300 -0.214 0.000 1.352 123 M CA 0.262 55.426 55.300 -0.227 0.000 1.218 123 M CB -0.450 31.820 32.600 -0.550 0.000 1.512 123 M HN 0.610 nan 8.290 nan 0.000 0.447 124 A N 1.951 124.567 122.820 -0.339 0.000 5.818 124 A HA -0.178 4.156 4.320 0.024 0.000 0.265 124 A C 0.285 177.540 177.584 -0.548 0.000 2.155 124 A CA 0.537 52.187 52.037 -0.645 0.000 0.711 124 A CB -1.750 16.627 19.000 -1.039 0.000 1.085 124 A HN 0.902 nan 8.150 nan 0.000 0.357 125 S N -0.222 114.912 115.700 -0.945 0.000 2.610 125 S HA 0.676 5.160 4.470 0.024 0.000 0.273 125 S C 0.411 174.727 174.600 -0.475 0.000 1.274 125 S CA 0.284 57.992 58.200 -0.820 0.000 1.023 125 S CB 0.817 63.327 63.200 -1.150 0.000 0.962 125 S HN 2.555 nan 8.310 nan 0.000 0.523 126 C N 0.607 119.651 119.300 -0.428 0.000 3.301 126 C HA 0.647 5.122 4.460 0.024 0.000 0.367 126 C C 1.339 176.267 174.990 -0.105 0.000 1.980 126 C CA 0.007 58.722 59.018 -0.505 0.000 1.349 126 C CB 0.582 27.433 27.740 -1.483 0.000 2.412 126 C HN 0.891 nan 8.230 nan 0.000 0.451 127 D N 0.612 120.896 120.400 -0.193 0.000 2.218 127 D HA -0.131 4.524 4.640 0.024 0.000 0.204 127 D C 0.616 176.694 176.300 -0.371 0.000 0.976 127 D CA 1.222 54.985 54.000 -0.395 0.000 0.853 127 D CB -0.440 39.576 40.800 -1.307 0.000 0.939 127 D HN 0.601 nan 8.370 nan 0.000 0.481 128 F N 1.210 121.074 119.950 -0.143 0.000 2.871 128 F HA 0.309 4.850 4.527 0.025 0.000 0.317 128 F C 0.335 176.077 175.800 -0.096 0.000 1.193 128 F CA -0.188 57.723 58.000 -0.147 0.000 1.311 128 F CB 0.234 39.030 39.000 -0.340 0.000 1.380 128 F HN -0.255 nan 8.300 nan 0.000 0.557 129 S N 0.401 116.146 115.700 0.075 0.000 2.632 129 S HA 0.475 4.960 4.470 0.024 0.000 0.289 129 S C 0.735 175.408 174.600 0.122 0.000 1.115 129 S CA -0.718 57.529 58.200 0.080 0.000 0.889 129 S CB 1.845 65.043 63.200 -0.002 0.000 1.116 129 S HN 0.402 nan 8.310 nan 0.000 0.486 130 I N -0.779 119.848 120.570 0.095 0.000 3.956 130 I HA 0.433 4.617 4.170 0.024 0.000 0.333 130 I C 0.354 176.488 176.117 0.029 0.000 1.302 130 I CA -0.214 61.144 61.300 0.096 0.000 1.122 130 I CB -0.112 37.935 38.000 0.078 0.000 1.013 130 I HN 0.529 nan 8.210 nan 0.000 0.405 131 R N 0.730 121.205 120.500 -0.042 0.000 2.712 131 R HA 0.446 4.800 4.340 0.024 0.000 0.272 131 R C -1.114 175.020 176.300 -0.276 0.000 1.032 131 R CA -0.378 55.621 56.100 -0.168 0.000 0.874 131 R CB 0.754 31.031 30.300 -0.039 0.000 1.256 131 R HN 0.089 nan 8.270 nan 0.000 0.468 132 T N -0.455 113.836 114.554 -0.439 0.000 2.837 132 T HA 0.669 5.034 4.350 0.024 0.000 0.285 132 T C -0.543 174.061 174.700 -0.160 0.000 0.984 132 T CA -0.488 61.316 62.100 -0.492 0.000 1.049 132 T CB 0.596 69.066 68.868 -0.664 0.000 0.947 132 T HN 0.629 nan 8.240 nan 0.000 0.472 133 Y N -0.885 119.281 120.300 -0.223 0.000 2.641 133 Y HA 0.715 5.280 4.550 0.024 0.000 0.333 133 Y C -0.415 175.385 175.900 -0.166 0.000 1.174 133 Y CA -1.137 56.871 58.100 -0.153 0.000 1.057 133 Y CB 0.784 39.171 38.460 -0.120 0.000 1.322 133 Y HN 0.947 nan 8.280 nan 0.000 0.457 134 T N -2.730 111.815 114.554 -0.015 0.000 2.773 134 T HA 0.413 4.777 4.350 0.024 0.000 0.278 134 T C -0.301 174.443 174.700 0.073 0.000 1.011 134 T CA -0.691 61.350 62.100 -0.098 0.000 1.014 134 T CB 0.989 69.845 68.868 -0.020 0.000 1.293 134 T HN 0.770 nan 8.240 nan 0.000 0.554 135 Y N -0.045 120.349 120.300 0.157 0.000 2.546 135 Y HA 0.449 5.013 4.550 0.024 0.000 0.287 135 Y C 1.615 177.382 175.900 -0.223 0.000 1.158 135 Y CA -0.091 57.839 58.100 -0.284 0.000 1.307 135 Y CB 0.334 38.137 38.460 -1.095 0.000 1.036 135 Y HN 0.774 nan 8.280 nan 0.000 0.532 136 A N -0.308 122.700 122.820 0.314 0.000 3.370 136 A HA 0.250 4.584 4.320 0.024 0.000 0.295 136 A C -0.254 177.634 177.584 0.507 0.000 1.030 136 A CA -0.486 51.811 52.037 0.433 0.000 0.883 136 A CB -0.177 19.245 19.000 0.703 0.000 1.191 136 A HN 0.117 nan 8.150 nan 0.000 0.507 137 D N 0.525 121.125 120.400 0.333 0.000 2.347 137 D HA -0.006 4.648 4.640 0.024 0.000 0.215 137 D C 0.392 176.845 176.300 0.255 0.000 0.976 137 D CA 0.977 55.162 54.000 0.308 0.000 0.884 137 D CB 0.232 41.136 40.800 0.173 0.000 0.915 137 D HN 0.423 nan 8.370 nan 0.000 0.526 138 T N 3.503 118.155 114.554 0.163 0.000 2.784 138 T HA 0.134 4.498 4.350 0.024 0.000 0.291 138 T C -2.388 172.080 174.700 -0.386 0.000 0.942 138 T CA -1.058 61.017 62.100 -0.042 0.000 1.161 138 T CB 1.056 69.900 68.868 -0.039 0.000 0.885 138 T HN -0.051 nan 8.240 nan 0.000 0.534 139 P HA 0.078 nan 4.420 nan 0.000 0.265 139 P C 0.180 176.837 177.300 -1.071 0.000 1.193 139 P CA 0.221 62.876 63.100 -0.742 0.000 0.765 139 P CB 0.253 31.805 31.700 -0.246 0.000 0.823 140 D N 0.173 119.508 120.400 -1.775 0.000 2.837 140 D HA -0.191 4.463 4.640 0.024 0.000 0.230 140 D C -0.021 175.488 176.300 -1.317 0.000 1.152 140 D CA 0.989 54.128 54.000 -1.435 0.000 0.736 140 D CB -1.605 38.938 40.800 -0.429 0.000 1.084 140 D HN 0.461 nan 8.370 nan 0.000 0.429 141 D N -0.572 118.895 120.400 -1.555 0.000 2.767 141 D HA 0.066 4.721 4.640 0.024 0.000 0.231 141 D C 1.122 177.278 176.300 -0.239 0.000 1.105 141 D CA -0.204 53.451 54.000 -0.577 0.000 1.024 141 D CB -0.828 39.831 40.800 -0.235 0.000 1.123 141 D HN 0.190 nan 8.370 nan 0.000 0.470 142 F N 0.152 120.115 119.950 0.022 0.000 2.269 142 F HA -0.137 4.404 4.527 0.024 0.000 0.301 142 F C 2.410 178.354 175.800 0.241 0.000 1.082 142 F CA 0.693 58.841 58.000 0.247 0.000 1.360 142 F CB -0.033 39.051 39.000 0.141 0.000 1.041 142 F HN 0.234 nan 8.300 nan 0.000 0.512 143 Q N 0.130 120.122 119.800 0.319 0.000 2.472 143 Q HA 0.036 4.391 4.340 0.024 0.000 0.208 143 Q C 1.093 177.260 176.000 0.278 0.000 0.958 143 Q CA 0.398 56.358 55.803 0.261 0.000 0.932 143 Q CB -0.032 28.826 28.738 0.201 0.000 1.007 143 Q HN 0.531 nan 8.270 nan 0.000 0.508 144 L N 0.424 121.845 121.223 0.330 0.000 3.717 144 L HA -0.299 4.055 4.340 0.024 0.000 0.411 144 L C 1.085 178.142 176.870 0.310 0.000 1.233 144 L CA 0.342 55.412 54.840 0.383 0.000 0.917 144 L CB -1.779 40.515 42.059 0.391 0.000 1.902 144 L HN 0.341 nan 8.230 nan 0.000 0.894 145 H N 0.476 119.652 119.070 0.177 0.000 2.423 145 H HA 0.013 4.583 4.556 0.024 0.000 0.297 145 H C 1.685 177.102 175.328 0.147 0.000 1.075 145 H CA 1.996 58.123 56.048 0.133 0.000 1.342 145 H CB 0.309 30.122 29.762 0.085 0.000 1.395 145 H HN 0.442 nan 8.280 nan 0.000 0.530 146 N N 0.122 118.948 118.700 0.210 0.000 2.276 146 N HA -0.050 4.704 4.740 0.024 0.000 0.212 146 N C -0.628 174.998 175.510 0.193 0.000 1.127 146 N CA -0.148 52.991 53.050 0.148 0.000 0.834 146 N CB 0.027 38.605 38.487 0.151 0.000 1.014 146 N HN 0.210 nan 8.380 nan 0.000 0.491 147 F N 3.022 123.042 119.950 0.116 0.000 2.590 147 F HA -0.071 4.471 4.527 0.024 0.000 0.389 147 F C 0.655 176.484 175.800 0.049 0.000 1.049 147 F CA 0.115 58.183 58.000 0.114 0.000 1.199 147 F CB 0.346 39.385 39.000 0.065 0.000 1.058 147 F HN -0.057 nan 8.300 nan 0.000 0.556 148 S N 5.983 121.569 115.700 -0.190 0.000 2.565 148 S HA 0.565 5.049 4.470 0.024 0.000 0.269 148 S C -1.248 173.248 174.600 -0.173 0.000 1.153 148 S CA -1.276 56.885 58.200 -0.066 0.000 0.835 148 S CB 1.191 64.396 63.200 0.009 0.000 1.122 148 S HN 0.631 nan 8.310 nan 0.000 0.462 149 L N 2.636 123.798 121.223 -0.101 0.000 2.319 149 L HA 0.471 4.825 4.340 0.024 0.000 0.280 149 L C -1.757 175.115 176.870 0.003 0.000 1.099 149 L CA -1.599 53.202 54.840 -0.065 0.000 0.828 149 L CB 0.533 42.535 42.059 -0.096 0.000 1.150 149 L HN 0.592 nan 8.230 nan 0.000 0.442 150 P HA 0.165 nan 4.420 nan 0.000 0.293 150 P C 0.176 177.422 177.300 -0.091 0.000 1.304 150 P CA -0.511 62.539 63.100 -0.084 0.000 0.767 150 P CB 0.912 32.453 31.700 -0.266 0.000 1.247 151 E N -0.299 119.829 120.200 -0.120 0.000 2.160 151 E HA -0.212 4.152 4.350 0.024 0.000 0.195 151 E C 1.653 178.206 176.600 -0.079 0.000 0.991 151 E CA 1.303 57.649 56.400 -0.090 0.000 0.810 151 E CB -0.157 29.495 29.700 -0.081 0.000 0.742 151 E HN 0.471 nan 8.360 nan 0.000 0.466 152 E N 0.904 121.037 120.200 -0.112 0.000 2.130 152 E HA -0.212 4.153 4.350 0.024 0.000 0.196 152 E C 1.394 178.021 176.600 0.045 0.000 0.998 152 E CA 1.810 58.191 56.400 -0.031 0.000 0.806 152 E CB -0.051 29.635 29.700 -0.023 0.000 0.738 152 E HN 0.325 nan 8.360 nan 0.000 0.459 153 D N -1.391 119.048 120.400 0.064 0.000 2.144 153 D HA -0.084 4.570 4.640 0.024 0.000 0.207 153 D C 1.977 178.191 176.300 -0.144 0.000 0.970 153 D CA 1.828 55.858 54.000 0.050 0.000 0.853 153 D CB -0.235 40.650 40.800 0.141 0.000 1.007 153 D HN 0.267 nan 8.370 nan 0.000 0.469 154 T N -1.889 112.565 114.554 -0.167 0.000 3.023 154 T HA 0.051 4.415 4.350 0.024 0.000 0.266 154 T C 1.652 176.277 174.700 -0.125 0.000 1.093 154 T CA 0.618 62.579 62.100 -0.231 0.000 1.129 154 T CB 0.171 68.959 68.868 -0.133 0.000 0.899 154 T HN -0.142 nan 8.240 nan 0.000 0.491 155 K N -0.140 120.214 120.400 -0.077 0.000 2.399 155 K HA 0.431 4.766 4.320 0.024 0.000 0.196 155 K C 1.662 178.243 176.600 -0.032 0.000 1.103 155 K CA 0.181 56.442 56.287 -0.044 0.000 0.986 155 K CB 0.409 32.888 32.500 -0.034 0.000 0.952 155 K HN 0.390 nan 8.250 nan 0.000 0.541 156 L N -0.430 120.776 121.223 -0.029 0.000 2.670 156 L HA 0.154 4.508 4.340 0.024 0.000 0.177 156 L C 2.058 178.925 176.870 -0.006 0.000 1.181 156 L CA 0.115 54.949 54.840 -0.010 0.000 0.856 156 L CB -0.413 41.649 42.059 0.006 0.000 1.205 156 L HN -0.181 nan 8.230 nan 0.000 0.506 157 K N 0.799 121.210 120.400 0.018 0.000 2.026 157 K HA -0.090 4.244 4.320 0.024 0.000 0.208 157 K C 2.036 178.624 176.600 -0.019 0.000 1.048 157 K CA 1.569 57.886 56.287 0.050 0.000 0.929 157 K CB -0.156 32.441 32.500 0.162 0.000 0.713 157 K HN 0.172 nan 8.250 nan 0.000 0.439 158 I N 0.710 121.209 120.570 -0.119 0.000 2.163 158 I HA -0.177 4.008 4.170 0.024 0.000 0.240 158 I C -1.030 174.943 176.117 -0.241 0.000 1.081 158 I CA 0.943 62.069 61.300 -0.290 0.000 1.353 158 I CB -0.927 36.745 38.000 -0.546 0.000 1.054 158 I HN 0.073 nan 8.210 nan 0.000 0.407 159 P HA -0.166 nan 4.420 nan 0.000 0.216 159 P C 1.896 179.195 177.300 -0.001 0.000 1.150 159 P CA 1.496 64.611 63.100 0.026 0.000 0.837 159 P CB -0.000 31.711 31.700 0.020 0.000 0.786 160 L N -1.615 119.586 121.223 -0.036 0.000 2.093 160 L HA -0.125 4.230 4.340 0.024 0.000 0.208 160 L C 2.426 179.234 176.870 -0.104 0.000 1.085 160 L CA 1.167 55.981 54.840 -0.044 0.000 0.755 160 L CB -0.724 41.323 42.059 -0.019 0.000 0.904 160 L HN -0.083 nan 8.230 nan 0.000 0.435 161 I N -0.773 119.719 120.570 -0.130 0.000 2.163 161 I HA -0.349 3.835 4.170 0.024 0.000 0.243 161 I C 2.415 178.424 176.117 -0.179 0.000 1.085 161 I CA 1.542 62.728 61.300 -0.191 0.000 1.347 161 I CB -0.447 37.453 38.000 -0.166 0.000 1.044 161 I HN 0.273 nan 8.210 nan 0.000 0.408 162 H N 0.160 119.169 119.070 -0.101 0.000 2.319 162 H HA -0.135 4.436 4.556 0.024 0.000 0.299 162 H C 2.502 177.770 175.328 -0.100 0.000 1.092 162 H CA 1.333 57.328 56.048 -0.088 0.000 1.302 162 H CB 0.044 29.770 29.762 -0.061 0.000 1.373 162 H HN 0.192 nan 8.280 nan 0.000 0.497 163 R N 0.226 120.743 120.500 0.027 0.000 2.092 163 R HA -0.065 4.289 4.340 0.024 0.000 0.231 163 R C 2.598 178.839 176.300 -0.098 0.000 1.119 163 R CA 0.819 56.906 56.100 -0.022 0.000 0.970 163 R CB -0.154 30.138 30.300 -0.013 0.000 0.864 163 R HN 0.270 nan 8.270 nan 0.000 0.440 164 A N 1.435 124.104 122.820 -0.252 0.000 1.883 164 A HA -0.153 4.182 4.320 0.024 0.000 0.217 164 A C 2.153 179.523 177.584 -0.357 0.000 1.186 164 A CA 1.273 52.959 52.037 -0.586 0.000 0.624 164 A CB -0.621 17.606 19.000 -1.288 0.000 0.822 164 A HN 0.173 nan 8.150 nan 0.000 0.444 165 L N -1.068 120.020 121.223 -0.225 0.000 2.083 165 L HA -0.193 4.161 4.340 0.024 0.000 0.209 165 L C 2.885 179.741 176.870 -0.024 0.000 1.083 165 L CA 1.371 56.158 54.840 -0.088 0.000 0.752 165 L CB -0.759 41.273 42.059 -0.044 0.000 0.899 165 L HN 0.477 nan 8.230 nan 0.000 0.433 166 Q N 0.566 120.354 119.800 -0.019 0.000 2.084 166 Q HA -0.156 4.198 4.340 0.024 0.000 0.202 166 Q C 2.336 178.349 176.000 0.021 0.000 0.978 166 Q CA 1.493 57.298 55.803 0.003 0.000 0.844 166 Q CB -0.080 28.658 28.738 -0.000 0.000 0.898 166 Q HN 0.543 nan 8.270 nan 0.000 0.426 167 L N 0.239 121.480 121.223 0.029 0.000 2.109 167 L HA -0.021 4.333 4.340 0.024 0.000 0.207 167 L C 1.122 178.056 176.870 0.106 0.000 1.086 167 L CA 0.348 55.233 54.840 0.075 0.000 0.760 167 L CB -0.377 41.750 42.059 0.115 0.000 0.910 167 L HN -0.010 nan 8.230 nan 0.000 0.437 168 A N -0.356 122.533 122.820 0.115 0.000 2.450 168 A HA 0.069 4.404 4.320 0.024 0.000 0.255 168 A C 0.929 178.565 177.584 0.086 0.000 1.096 168 A CA -0.242 51.880 52.037 0.141 0.000 0.778 168 A CB 0.658 19.765 19.000 0.178 0.000 1.031 168 A HN 0.194 nan 8.150 nan 0.000 0.494 169 Q N 1.241 121.088 119.800 0.079 0.000 2.123 169 Q HA -0.007 4.348 4.340 0.024 0.000 0.196 169 Q C 0.424 176.455 176.000 0.051 0.000 0.958 169 Q CA 1.011 56.848 55.803 0.056 0.000 0.841 169 Q CB -0.021 28.746 28.738 0.049 0.000 0.915 169 Q HN 0.811 nan 8.270 nan 0.000 0.455 170 R N 1.544 122.078 120.500 0.057 0.000 2.643 170 R HA 0.136 4.491 4.340 0.024 0.000 0.270 170 R C -2.193 174.135 176.300 0.047 0.000 1.061 170 R CA -1.365 54.763 56.100 0.046 0.000 1.107 170 R CB -0.452 29.876 30.300 0.047 0.000 0.999 170 R HN 0.005 nan 8.270 nan 0.000 0.460 171 P HA -0.020 nan 4.420 nan 0.000 0.264 171 P C -0.836 176.472 177.300 0.013 0.000 1.193 171 P CA 0.042 63.151 63.100 0.014 0.000 0.763 171 P CB 0.594 32.292 31.700 -0.003 0.000 0.810 172 V N 3.506 123.432 119.914 0.020 0.000 2.427 172 V HA 0.228 4.363 4.120 0.024 0.000 0.286 172 V C 0.338 176.426 176.094 -0.009 0.000 1.034 172 V CA -0.229 62.090 62.300 0.031 0.000 0.893 172 V CB 1.558 33.416 31.823 0.058 0.000 0.982 172 V HN 0.463 nan 8.190 nan 0.000 0.452 173 S N 6.050 121.729 115.700 -0.035 0.000 2.452 173 S HA 0.599 5.083 4.470 0.024 0.000 0.284 173 S C -0.302 174.363 174.600 0.109 0.000 1.171 173 S CA -0.470 57.727 58.200 -0.005 0.000 1.064 173 S CB 0.503 63.541 63.200 -0.270 0.000 0.967 173 S HN 0.481 nan 8.310 nan 0.000 0.484 174 L N 3.636 124.913 121.223 0.090 0.000 2.312 174 L HA 0.569 4.924 4.340 0.024 0.000 0.281 174 L C -0.544 176.561 176.870 0.392 0.000 1.070 174 L CA -0.842 54.020 54.840 0.037 0.000 0.805 174 L CB 0.785 42.496 42.059 -0.579 0.000 1.174 174 L HN 0.416 nan 8.230 nan 0.000 0.434 175 L N 3.406 124.923 121.223 0.491 0.000 2.349 175 L HA 0.788 5.143 4.340 0.024 0.000 0.278 175 L C -0.354 176.780 176.870 0.441 0.000 0.996 175 L CA -0.143 54.969 54.840 0.453 0.000 0.825 175 L CB 1.446 43.730 42.059 0.375 0.000 1.243 175 L HN 0.669 nan 8.230 nan 0.000 0.412 176 A N 3.285 126.248 122.820 0.239 0.000 2.325 176 A HA 0.918 5.253 4.320 0.024 0.000 0.333 176 A C -0.665 176.885 177.584 -0.056 0.000 1.155 176 A CA -0.448 51.578 52.037 -0.018 0.000 0.814 176 A CB 1.117 19.797 19.000 -0.534 0.000 1.206 176 A HN 0.696 nan 8.150 nan 0.000 0.482 177 S N 2.589 118.282 115.700 -0.012 0.000 2.575 177 S HA 0.682 5.166 4.470 0.024 0.000 0.278 177 S C -3.068 171.590 174.600 0.098 0.000 1.139 177 S CA -0.842 57.370 58.200 0.021 0.000 0.954 177 S CB 2.230 65.463 63.200 0.055 0.000 1.054 177 S HN 0.641 nan 8.310 nan 0.000 0.483 178 P HA 0.297 nan 4.420 nan 0.000 0.286 178 P C 0.061 177.535 177.300 0.289 0.000 1.261 178 P CA -0.653 62.541 63.100 0.157 0.000 0.821 178 P CB 1.136 32.894 31.700 0.096 0.000 1.013 179 W N 0.673 121.986 121.300 0.022 0.000 2.678 179 W HA 0.039 4.713 4.660 0.024 0.000 0.282 179 W C 0.811 177.315 176.519 -0.024 0.000 1.137 179 W CA 0.638 58.014 57.345 0.053 0.000 1.515 179 W CB 0.200 29.736 29.460 0.126 0.000 1.101 179 W HN 0.238 nan 8.180 nan 0.000 0.564 180 T N 0.295 114.932 114.554 0.138 0.000 2.908 180 T HA 0.330 4.695 4.350 0.024 0.000 0.290 180 T C 0.047 174.523 174.700 -0.374 0.000 1.034 180 T CA -0.444 61.570 62.100 -0.143 0.000 1.010 180 T CB 1.507 70.293 68.868 -0.136 0.000 1.068 180 T HN -0.028 nan 8.240 nan 0.000 0.481 181 S N 4.024 119.200 115.700 -0.872 0.000 2.624 181 S HA 0.523 5.007 4.470 0.024 0.000 0.263 181 S C -2.607 171.545 174.600 -0.747 0.000 1.287 181 S CA -1.025 56.378 58.200 -1.329 0.000 0.990 181 S CB -0.068 61.962 63.200 -1.949 0.000 0.950 181 S HN 0.576 nan 8.310 nan 0.000 0.561 182 P HA -0.021 nan 4.420 nan 0.000 0.265 182 P C 1.152 178.026 177.300 -0.711 0.000 1.167 182 P CA 0.487 63.185 63.100 -0.669 0.000 0.760 182 P CB 0.184 31.259 31.700 -1.041 0.000 0.783 183 T N -0.961 113.354 114.554 -0.398 0.000 2.951 183 T HA -0.125 4.240 4.350 0.024 0.000 0.268 183 T C 1.361 175.947 174.700 -0.190 0.000 1.073 183 T CA 0.610 62.564 62.100 -0.244 0.000 1.134 183 T CB -0.692 68.132 68.868 -0.073 0.000 0.884 183 T HN 0.571 nan 8.240 nan 0.000 0.479 184 W N 1.360 122.606 121.300 -0.090 0.000 2.678 184 W HA 0.280 4.955 4.660 0.024 0.000 0.256 184 W C 0.996 177.513 176.519 -0.004 0.000 1.280 184 W CA -0.328 56.987 57.345 -0.050 0.000 1.345 184 W CB -0.953 28.469 29.460 -0.063 0.000 1.118 184 W HN 0.236 nan 8.180 nan 0.000 0.629 185 L N 1.033 121.954 121.223 -0.504 0.000 2.610 185 L HA 0.082 4.437 4.340 0.024 0.000 0.232 185 L C 0.617 177.273 176.870 -0.356 0.000 1.149 185 L CA 1.049 55.694 54.840 -0.324 0.000 0.872 185 L CB -0.500 41.203 42.059 -0.592 0.000 0.992 185 L HN -0.215 nan 8.230 nan 0.000 0.447 186 K N -0.756 119.443 120.400 -0.335 0.000 2.207 186 K HA 0.220 4.555 4.320 0.024 0.000 0.255 186 K C 1.224 177.677 176.600 -0.246 0.000 0.941 186 K CA -0.072 56.015 56.287 -0.334 0.000 0.825 186 K CB 1.752 34.054 32.500 -0.330 0.000 1.119 186 K HN -0.086 nan 8.250 nan 0.000 0.430 187 T N -1.436 112.968 114.554 -0.250 0.000 2.849 187 T HA -0.194 4.170 4.350 0.024 0.000 0.270 187 T C 1.176 175.795 174.700 -0.134 0.000 1.066 187 T CA 1.645 63.632 62.100 -0.189 0.000 1.130 187 T CB -0.268 68.493 68.868 -0.178 0.000 0.864 187 T HN 0.681 nan 8.240 nan 0.000 0.481 188 N N 1.171 119.790 118.700 -0.135 0.000 2.236 188 N HA 0.169 4.924 4.740 0.024 0.000 0.196 188 N C 1.464 176.928 175.510 -0.076 0.000 1.114 188 N CA 0.535 53.529 53.050 -0.095 0.000 0.859 188 N CB -0.514 37.917 38.487 -0.093 0.000 0.982 188 N HN 0.614 nan 8.380 nan 0.000 0.493 189 G N 0.078 108.826 108.800 -0.087 0.000 2.341 189 G HA2 -0.035 3.939 3.960 0.024 0.000 0.292 189 G HA3 -0.035 3.939 3.960 0.024 0.000 0.292 189 G C 0.023 174.892 174.900 -0.051 0.000 1.021 189 G CA 0.614 45.681 45.100 -0.055 0.000 0.905 189 G HN 0.913 nan 8.290 nan 0.000 0.508 190 A N -1.757 121.016 122.820 -0.077 0.000 2.572 190 A HA 0.854 5.188 4.320 0.024 0.000 0.295 190 A C 1.107 178.647 177.584 -0.073 0.000 1.072 190 A CA 0.282 52.287 52.037 -0.053 0.000 0.691 190 A CB 1.026 20.011 19.000 -0.024 0.000 1.291 190 A HN 1.536 nan 8.150 nan 0.000 0.404 191 V N -0.608 119.276 119.914 -0.050 0.000 2.626 191 V HA 0.009 4.144 4.120 0.024 0.000 0.252 191 V C 0.682 176.792 176.094 0.026 0.000 1.067 191 V CA 1.999 64.270 62.300 -0.049 0.000 1.081 191 V CB -1.492 30.297 31.823 -0.057 0.000 0.686 191 V HN 0.962 nan 8.190 nan 0.000 0.468 192 N N 0.272 119.013 118.700 0.068 0.000 3.184 192 N HA 0.667 5.421 4.740 0.024 0.000 0.353 192 N C 0.421 175.953 175.510 0.037 0.000 1.441 192 N CA 0.182 53.297 53.050 0.108 0.000 0.723 192 N CB 0.567 39.167 38.487 0.188 0.000 1.547 192 N HN 0.981 nan 8.380 nan 0.000 0.624 193 G N -0.637 108.191 108.800 0.048 0.000 2.828 193 G HA2 -0.190 3.785 3.960 0.024 0.000 0.463 193 G HA3 -0.190 3.785 3.960 0.024 0.000 0.463 193 G C -0.931 173.951 174.900 -0.029 0.000 1.394 193 G CA -0.201 44.904 45.100 0.008 0.000 0.862 193 G HN 0.859 nan 8.290 nan 0.000 0.540 194 K N 0.430 120.801 120.400 -0.047 0.000 2.349 194 K HA 0.562 4.896 4.320 0.024 0.000 0.288 194 K C 0.476 177.011 176.600 -0.109 0.000 1.058 194 K CA 0.438 56.677 56.287 -0.080 0.000 0.953 194 K CB 0.148 32.608 32.500 -0.066 0.000 0.997 194 K HN 1.839 nan 8.250 nan 0.000 0.477 195 G N 1.841 110.551 108.800 -0.151 0.000 2.503 195 G HA2 0.236 4.210 3.960 0.024 0.000 0.305 195 G HA3 0.236 4.210 3.960 0.024 0.000 0.305 195 G C -1.284 173.456 174.900 -0.267 0.000 1.575 195 G CA -0.564 44.424 45.100 -0.187 0.000 0.890 195 G HN 0.652 nan 8.290 nan 0.000 0.612 196 S N 0.938 116.463 115.700 -0.292 0.000 2.823 196 S HA 0.814 5.298 4.470 0.024 0.000 0.316 196 S C 0.145 174.476 174.600 -0.447 0.000 1.116 196 S CA -1.000 56.941 58.200 -0.430 0.000 0.911 196 S CB 1.052 64.052 63.200 -0.334 0.000 1.276 196 S HN 0.776 nan 8.310 nan 0.000 0.565 197 L N 1.577 122.457 121.223 -0.572 0.000 2.525 197 L HA 0.176 4.530 4.340 0.024 0.000 0.278 197 L C 0.641 177.317 176.870 -0.324 0.000 1.218 197 L CA -0.032 54.484 54.840 -0.540 0.000 0.878 197 L CB 0.165 41.752 42.059 -0.786 0.000 1.127 197 L HN 0.683 nan 8.230 nan 0.000 0.492 198 K N 2.093 122.245 120.400 -0.414 0.000 2.276 198 K HA 0.386 4.721 4.320 0.024 0.000 0.259 198 K C 0.750 177.224 176.600 -0.209 0.000 1.001 198 K CA 0.431 56.425 56.287 -0.488 0.000 0.927 198 K CB 0.478 32.322 32.500 -1.093 0.000 0.969 198 K HN 0.826 nan 8.250 nan 0.000 0.490 199 G N 0.676 109.416 108.800 -0.101 0.000 2.525 199 G HA2 -0.222 3.753 3.960 0.024 0.000 0.248 199 G HA3 -0.222 3.753 3.960 0.024 0.000 0.248 199 G C -1.088 173.893 174.900 0.134 0.000 1.238 199 G CA -0.479 44.695 45.100 0.124 0.000 0.926 199 G HN 0.461 nan 8.290 nan 0.000 0.574 200 Q N 0.139 119.978 119.800 0.065 0.000 2.389 200 Q HA 0.550 4.905 4.340 0.024 0.000 0.277 200 Q C -2.626 173.034 176.000 -0.567 0.000 1.082 200 Q CA -1.579 54.105 55.803 -0.199 0.000 0.810 200 Q CB 1.864 30.538 28.738 -0.106 0.000 1.374 200 Q HN 0.379 nan 8.270 nan 0.000 0.422 201 P HA 0.029 nan 4.420 nan 0.000 0.264 201 P C 0.719 177.915 177.300 -0.172 0.000 1.179 201 P CA 1.688 64.474 63.100 -0.524 0.000 0.763 201 P CB 0.432 32.075 31.700 -0.094 0.000 0.806 202 G N 1.513 110.310 108.800 -0.006 0.000 2.308 202 G HA2 -0.202 3.773 3.960 0.024 0.000 0.221 202 G HA3 -0.202 3.773 3.960 0.024 0.000 0.221 202 G C 0.201 175.152 174.900 0.085 0.000 1.032 202 G CA 0.334 45.458 45.100 0.040 0.000 0.623 202 G HN 0.719 nan 8.290 nan 0.000 0.506 203 D N 0.403 120.871 120.400 0.112 0.000 2.447 203 D HA 0.438 5.093 4.640 0.024 0.000 0.265 203 D C 1.833 178.246 176.300 0.189 0.000 1.250 203 D CA -0.293 53.794 54.000 0.146 0.000 1.046 203 D CB 0.217 41.125 40.800 0.181 0.000 1.095 203 D HN 0.298 nan 8.370 nan 0.000 0.555 204 I N -0.758 119.837 120.570 0.041 0.000 2.394 204 I HA -0.278 3.907 4.170 0.024 0.000 0.251 204 I C 1.491 177.650 176.117 0.070 0.000 1.136 204 I CA 1.022 62.280 61.300 -0.071 0.000 1.425 204 I CB -0.067 37.680 38.000 -0.421 0.000 1.079 204 I HN 0.297 nan 8.210 nan 0.000 0.425 205 Y N 0.111 120.588 120.300 0.294 0.000 2.200 205 Y HA -0.258 4.307 4.550 0.024 0.000 0.290 205 Y C 2.527 178.588 175.900 0.267 0.000 1.137 205 Y CA 1.907 60.198 58.100 0.319 0.000 1.163 205 Y CB -0.861 37.712 38.460 0.188 0.000 0.988 205 Y HN 0.264 nan 8.280 nan 0.000 0.518 206 H N -0.946 118.376 119.070 0.421 0.000 2.395 206 H HA -0.105 4.465 4.556 0.024 0.000 0.299 206 H C 2.097 177.722 175.328 0.495 0.000 1.070 206 H CA 1.422 57.749 56.048 0.464 0.000 1.356 206 H CB -0.029 30.003 29.762 0.450 0.000 1.401 206 H HN 0.186 nan 8.280 nan 0.000 0.524 207 Q N -0.089 119.986 119.800 0.458 0.000 2.084 207 Q HA -0.093 4.261 4.340 0.024 0.000 0.202 207 Q C 2.230 178.437 176.000 0.346 0.000 0.978 207 Q CA 1.669 57.666 55.803 0.323 0.000 0.844 207 Q CB -0.540 28.323 28.738 0.209 0.000 0.898 207 Q HN 0.483 nan 8.270 nan 0.000 0.426 208 T N 0.715 115.511 114.554 0.404 0.000 2.708 208 T HA -0.167 4.197 4.350 0.024 0.000 0.266 208 T C 1.266 176.280 174.700 0.524 0.000 1.037 208 T CA 1.036 63.414 62.100 0.464 0.000 1.146 208 T CB -0.421 68.793 68.868 0.577 0.000 0.865 208 T HN 0.505 nan 8.240 nan 0.000 0.435 209 W N 1.745 123.211 121.300 0.277 0.000 2.358 209 W HA -0.152 4.522 4.660 0.024 0.000 0.303 209 W C 2.550 179.382 176.519 0.520 0.000 1.208 209 W CA 0.931 58.434 57.345 0.264 0.000 1.274 209 W CB -0.247 29.245 29.460 0.053 0.000 1.138 209 W HN 0.299 nan 8.180 nan 0.000 0.515 210 A N 0.937 124.008 122.820 0.417 0.000 1.933 210 A HA -0.208 4.126 4.320 0.024 0.000 0.218 210 A C 1.979 179.657 177.584 0.156 0.000 1.175 210 A CA 1.643 53.770 52.037 0.150 0.000 0.628 210 A CB -0.910 18.103 19.000 0.022 0.000 0.814 210 A HN 0.352 nan 8.150 nan 0.000 0.444 211 R N -2.415 118.215 120.500 0.217 0.000 2.148 211 R HA -0.109 4.246 4.340 0.024 0.000 0.227 211 R C 2.013 178.413 176.300 0.167 0.000 1.103 211 R CA 1.353 57.554 56.100 0.169 0.000 0.983 211 R CB -0.386 30.024 30.300 0.184 0.000 0.874 211 R HN 0.754 nan 8.270 nan 0.000 0.451 212 Y N 0.252 120.620 120.300 0.114 0.000 2.181 212 Y HA -0.263 4.301 4.550 0.024 0.000 0.288 212 Y C 1.676 177.554 175.900 -0.037 0.000 1.146 212 Y CA 1.535 59.688 58.100 0.088 0.000 1.164 212 Y CB -0.186 38.388 38.460 0.190 0.000 0.982 212 Y HN -0.101 nan 8.280 nan 0.000 0.515 213 F N -0.721 119.199 119.950 -0.050 0.000 2.095 213 F HA -0.275 4.266 4.527 0.024 0.000 0.298 213 F C 2.367 178.113 175.800 -0.090 0.000 1.104 213 F CA 1.777 59.708 58.000 -0.115 0.000 1.232 213 F CB -1.081 37.792 39.000 -0.212 0.000 0.987 213 F HN -0.117 nan 8.300 nan 0.000 0.475 214 V N -0.101 119.872 119.914 0.099 0.000 2.343 214 V HA -0.255 3.879 4.120 0.024 0.000 0.247 214 V C 2.406 178.428 176.094 -0.121 0.000 1.051 214 V CA 1.533 63.843 62.300 0.017 0.000 1.036 214 V CB -0.563 31.291 31.823 0.052 0.000 0.654 214 V HN 0.214 nan 8.190 nan 0.000 0.451 215 K N -0.300 119.911 120.400 -0.315 0.000 2.097 215 K HA -0.165 4.169 4.320 0.024 0.000 0.206 215 K C 2.051 178.236 176.600 -0.692 0.000 1.049 215 K CA 1.595 57.459 56.287 -0.705 0.000 0.933 215 K CB -0.720 30.921 32.500 -1.432 0.000 0.717 215 K HN 0.520 nan 8.250 nan 0.000 0.442 216 F N 2.179 121.764 119.950 -0.607 0.000 2.069 216 F HA -0.180 4.361 4.527 0.024 0.000 0.298 216 F C 2.027 177.699 175.800 -0.213 0.000 1.113 216 F CA 1.314 59.168 58.000 -0.244 0.000 1.214 216 F CB -0.494 38.370 39.000 -0.227 0.000 0.978 216 F HN -0.136 nan 8.300 nan 0.000 0.474 217 L N 0.167 121.177 121.223 -0.355 0.000 2.043 217 L HA -0.272 4.082 4.340 0.024 0.000 0.212 217 L C 2.248 178.837 176.870 -0.468 0.000 1.075 217 L CA 1.638 56.133 54.840 -0.576 0.000 0.752 217 L CB -1.015 40.606 42.059 -0.731 0.000 0.891 217 L HN 0.146 nan 8.230 nan 0.000 0.432 218 D N 0.167 120.430 120.400 -0.228 0.000 2.097 218 D HA -0.163 4.491 4.640 0.024 0.000 0.195 218 D C 2.248 178.531 176.300 -0.029 0.000 0.989 218 D CA 1.608 55.622 54.000 0.023 0.000 0.827 218 D CB -0.102 40.698 40.800 -0.000 0.000 0.966 218 D HN 0.341 nan 8.370 nan 0.000 0.456 219 A N -0.023 122.748 122.820 -0.082 0.000 1.898 219 A HA -0.194 4.141 4.320 0.024 0.000 0.216 219 A C 2.077 179.688 177.584 0.045 0.000 1.181 219 A CA 1.027 53.066 52.037 0.005 0.000 0.620 219 A CB -0.994 18.048 19.000 0.069 0.000 0.819 219 A HN 0.197 nan 8.150 nan 0.000 0.442 220 Y N 0.037 120.184 120.300 -0.255 0.000 2.224 220 Y HA -0.116 4.448 4.550 0.024 0.000 0.289 220 Y C 2.895 178.792 175.900 -0.004 0.000 1.146 220 Y CA 0.758 58.768 58.100 -0.150 0.000 1.182 220 Y CB -0.589 37.727 38.460 -0.241 0.000 0.983 220 Y HN 0.335 nan 8.280 nan 0.000 0.524 221 A N -0.027 122.853 122.820 0.100 0.000 1.933 221 A HA -0.222 4.112 4.320 0.024 0.000 0.218 221 A C 2.041 179.656 177.584 0.051 0.000 1.175 221 A CA 1.792 53.893 52.037 0.107 0.000 0.628 221 A CB -0.630 18.482 19.000 0.188 0.000 0.814 221 A HN 0.533 nan 8.150 nan 0.000 0.444 222 E N -0.838 119.365 120.200 0.005 0.000 2.209 222 E HA -0.176 4.189 4.350 0.024 0.000 0.196 222 E C 1.020 177.491 176.600 -0.216 0.000 0.993 222 E CA 1.108 57.443 56.400 -0.109 0.000 0.819 222 E CB -0.184 29.424 29.700 -0.152 0.000 0.745 222 E HN 0.731 nan 8.360 nan 0.000 0.477 223 H N -0.003 119.034 119.070 -0.055 0.000 2.519 223 H HA 0.188 4.759 4.556 0.024 0.000 0.289 223 H C -0.049 175.333 175.328 0.090 0.000 1.040 223 H CA 0.230 56.264 56.048 -0.023 0.000 1.165 223 H CB 0.314 29.983 29.762 -0.154 0.000 1.462 223 H HN 0.053 nan 8.280 nan 0.000 0.555 224 K N 0.506 120.983 120.400 0.128 0.000 3.129 224 K HA -0.158 4.177 4.320 0.024 0.000 0.273 224 K C -0.654 176.045 176.600 0.164 0.000 1.123 224 K CA 0.236 56.603 56.287 0.132 0.000 0.800 224 K CB -1.516 31.039 32.500 0.092 0.000 1.238 224 K HN 0.257 nan 8.250 nan 0.000 0.492 225 L N 1.601 122.891 121.223 0.112 0.000 2.313 225 L HA 0.321 4.675 4.340 0.024 0.000 0.283 225 L C 0.241 177.137 176.870 0.043 0.000 1.013 225 L CA -0.926 53.934 54.840 0.033 0.000 0.816 225 L CB 1.500 43.556 42.059 -0.003 0.000 1.236 225 L HN 0.011 nan 8.230 nan 0.000 0.419 226 Q N 2.616 122.398 119.800 -0.029 0.000 2.301 226 Q HA 0.546 4.900 4.340 0.024 0.000 0.267 226 Q C -1.124 174.801 176.000 -0.125 0.000 1.035 226 Q CA -0.577 55.244 55.803 0.031 0.000 0.856 226 Q CB 2.647 31.427 28.738 0.069 0.000 1.337 226 Q HN 0.298 nan 8.270 nan 0.000 0.450 227 F N 0.365 120.345 119.950 0.051 0.000 2.421 227 F HA 0.192 4.734 4.527 0.024 0.000 0.337 227 F C 0.943 176.808 175.800 0.109 0.000 1.105 227 F CA -0.767 57.280 58.000 0.079 0.000 1.049 227 F CB 0.976 39.997 39.000 0.036 0.000 1.139 227 F HN 0.725 nan 8.300 nan 0.000 0.479 228 W N 3.788 125.147 121.300 0.099 0.000 2.409 228 W HA 0.397 5.072 4.660 0.025 0.000 0.299 228 W C -0.222 176.319 176.519 0.037 0.000 1.203 228 W CA 1.051 58.413 57.345 0.029 0.000 1.298 228 W CB -0.040 29.404 29.460 -0.027 0.000 1.127 228 W HN 0.445 nan 8.180 nan 0.000 0.528 229 A N 0.179 122.794 122.820 -0.342 0.000 2.612 229 A HA 0.571 4.905 4.320 0.024 0.000 0.293 229 A C -1.302 176.137 177.584 -0.242 0.000 1.075 229 A CA -0.250 51.393 52.037 -0.657 0.000 0.680 229 A CB 0.823 18.873 19.000 -1.584 0.000 1.279 229 A HN 0.569 nan 8.150 nan 0.000 0.411 230 V N -0.929 118.850 119.914 -0.225 0.000 2.769 230 V HA 0.936 5.070 4.120 0.024 0.000 0.312 230 V C 0.091 176.124 176.094 -0.102 0.000 1.061 230 V CA 0.050 62.290 62.300 -0.100 0.000 0.931 230 V CB 1.303 33.141 31.823 0.024 0.000 1.010 230 V HN 1.594 nan 8.190 nan 0.000 0.433 231 T N 0.667 115.202 114.554 -0.032 0.000 2.918 231 T HA 0.678 5.043 4.350 0.024 0.000 0.283 231 T C 1.241 175.976 174.700 0.060 0.000 1.001 231 T CA 0.008 62.088 62.100 -0.032 0.000 1.041 231 T CB 1.592 70.429 68.868 -0.051 0.000 1.028 231 T HN 1.577 nan 8.240 nan 0.000 0.511 232 A N 0.739 123.541 122.820 -0.029 0.000 2.070 232 A HA 0.216 4.550 4.320 0.024 0.000 0.220 232 A C 0.873 178.503 177.584 0.076 0.000 1.159 232 A CA 1.532 53.553 52.037 -0.027 0.000 0.656 232 A CB -0.828 18.093 19.000 -0.131 0.000 0.800 232 A HN 1.061 nan 8.150 nan 0.000 0.453 233 E N -1.911 118.285 120.200 -0.006 0.000 3.260 233 E HA 0.113 4.478 4.350 0.024 0.000 0.328 233 E C -1.284 175.182 176.600 -0.224 0.000 1.112 233 E CA -0.276 56.098 56.400 -0.043 0.000 0.898 233 E CB -0.448 29.178 29.700 -0.123 0.000 1.191 233 E HN 0.218 nan 8.360 nan 0.000 0.480 234 N N 3.349 121.828 118.700 -0.370 0.000 2.468 234 N HA 0.135 4.890 4.740 0.024 0.000 0.265 234 N C -0.715 174.457 175.510 -0.564 0.000 1.199 234 N CA 0.734 53.386 53.050 -0.664 0.000 0.928 234 N CB 0.407 37.970 38.487 -1.540 0.000 1.059 234 N HN 0.554 nan 8.380 nan 0.000 0.467 235 E N 1.601 121.464 120.200 -0.560 0.000 2.222 235 E HA -0.181 4.184 4.350 0.024 0.000 0.189 235 E C -1.716 174.653 176.600 -0.385 0.000 1.415 235 E CA 0.157 56.257 56.400 -0.500 0.000 0.689 235 E CB -0.720 28.741 29.700 -0.398 0.000 1.107 235 E HN 0.697 nan 8.360 nan 0.000 0.350 236 P HA -0.235 nan 4.420 nan 0.000 0.219 236 P C 1.464 178.730 177.300 -0.057 0.000 1.146 236 P CA 1.798 64.864 63.100 -0.056 0.000 0.808 236 P CB 0.029 31.801 31.700 0.120 0.000 0.779 237 S N -0.210 115.383 115.700 -0.178 0.000 2.447 237 S HA 0.001 4.486 4.470 0.024 0.000 0.233 237 S C 2.183 176.640 174.600 -0.238 0.000 1.006 237 S CA 0.870 59.006 58.200 -0.106 0.000 0.957 237 S CB -1.165 61.949 63.200 -0.144 0.000 0.773 237 S HN 0.141 nan 8.310 nan 0.000 0.507 238 A N 1.922 124.486 122.820 -0.426 0.000 1.930 238 A HA 0.266 4.601 4.320 0.024 0.000 0.217 238 A C 2.289 179.433 177.584 -0.733 0.000 1.175 238 A CA 1.249 52.798 52.037 -0.812 0.000 0.627 238 A CB -1.522 16.673 19.000 -1.341 0.000 0.815 238 A HN 0.645 nan 8.150 nan 0.000 0.443 239 G N -0.620 107.905 108.800 -0.458 0.000 2.776 239 G HA2 0.097 4.072 3.960 0.024 0.000 0.209 239 G HA3 0.097 4.072 3.960 0.024 0.000 0.209 239 G C 1.152 175.929 174.900 -0.205 0.000 1.145 239 G CA 0.494 45.408 45.100 -0.310 0.000 0.791 239 G HN 0.455 nan 8.290 nan 0.000 0.530 240 L N -0.077 121.043 121.223 -0.170 0.000 2.591 240 L HA 0.320 4.675 4.340 0.024 0.000 0.228 240 L C 0.435 177.252 176.870 -0.088 0.000 1.133 240 L CA 0.023 54.804 54.840 -0.098 0.000 0.880 240 L CB -0.065 41.970 42.059 -0.040 0.000 1.033 240 L HN 0.093 nan 8.230 nan 0.000 0.450 241 L N 0.482 121.640 121.223 -0.109 0.000 2.272 241 L HA 0.261 4.616 4.340 0.024 0.000 0.289 241 L C 0.690 177.550 176.870 -0.017 0.000 1.032 241 L CA -0.390 54.419 54.840 -0.051 0.000 0.810 241 L CB 1.663 43.708 42.059 -0.023 0.000 1.205 241 L HN 0.058 nan 8.230 nan 0.000 0.422 242 S N 2.306 117.992 115.700 -0.023 0.000 2.537 242 S HA 0.312 4.796 4.470 0.024 0.000 0.286 242 S C 1.195 175.786 174.600 -0.015 0.000 1.299 242 S CA 0.350 58.536 58.200 -0.023 0.000 1.067 242 S CB 0.920 64.102 63.200 -0.030 0.000 0.864 242 S HN 1.050 nan 8.310 nan 0.000 0.494 243 G N 2.149 110.938 108.800 -0.018 0.000 2.162 243 G HA2 -0.314 3.660 3.960 0.024 0.000 0.260 243 G HA3 -0.314 3.660 3.960 0.024 0.000 0.260 243 G C -0.054 174.813 174.900 -0.055 0.000 0.976 243 G CA 0.335 45.412 45.100 -0.038 0.000 0.655 243 G HN 1.144 nan 8.290 nan 0.000 0.533 244 Y N 2.195 122.405 120.300 -0.149 0.000 2.805 244 Y HA 0.243 4.807 4.550 0.024 0.000 0.331 244 Y C -0.113 175.654 175.900 -0.222 0.000 1.241 244 Y CA -0.304 57.663 58.100 -0.222 0.000 1.546 244 Y CB 0.947 39.246 38.460 -0.267 0.000 1.248 244 Y HN 0.105 nan 8.280 nan 0.000 0.559 245 P HA -0.072 nan 4.420 nan 0.000 0.227 245 P C -0.479 176.702 177.300 -0.198 0.000 1.161 245 P CA 1.062 63.928 63.100 -0.390 0.000 0.788 245 P CB 0.028 31.486 31.700 -0.404 0.000 0.822 246 F N -2.153 117.688 119.950 -0.181 0.000 2.764 246 F HA 0.700 5.242 4.527 0.024 0.000 0.347 246 F C -0.359 175.675 175.800 0.391 0.000 1.151 246 F CA -2.071 56.009 58.000 0.134 0.000 1.021 246 F CB -0.302 38.684 39.000 -0.023 0.000 1.438 246 F HN -0.474 nan 8.300 nan 0.000 0.516 247 Q N 1.107 121.385 119.800 0.796 0.000 2.263 247 Q HA 0.414 4.768 4.340 0.024 0.000 0.289 247 Q C -0.330 175.931 176.000 0.435 0.000 1.061 247 Q CA 0.570 56.669 55.803 0.493 0.000 0.927 247 Q CB 0.321 29.306 28.738 0.411 0.000 1.154 247 Q HN 0.861 nan 8.270 nan 0.000 0.378 248 C N 0.465 119.855 119.300 0.150 0.000 3.320 248 C HA 0.887 5.361 4.460 0.024 0.000 0.335 248 C C -1.682 173.229 174.990 -0.133 0.000 1.430 248 C CA -1.235 57.762 59.018 -0.035 0.000 1.271 248 C CB 0.853 28.443 27.740 -0.250 0.000 1.609 248 C HN 0.775 nan 8.230 nan 0.000 0.457 249 L N 1.696 122.809 121.223 -0.184 0.000 2.676 249 L HA 0.679 5.034 4.340 0.024 0.000 0.262 249 L C 0.127 176.864 176.870 -0.223 0.000 0.965 249 L CA 0.439 55.124 54.840 -0.260 0.000 0.920 249 L CB 1.046 42.943 42.059 -0.270 0.000 1.260 249 L HN 1.399 nan 8.230 nan 0.000 0.422 250 G N 3.239 111.846 108.800 -0.321 0.000 2.406 250 G HA2 0.472 4.446 3.960 0.024 0.000 0.251 250 G HA3 0.472 4.446 3.960 0.024 0.000 0.251 250 G C -1.140 173.549 174.900 -0.353 0.000 1.271 250 G CA 0.030 44.995 45.100 -0.225 0.000 0.859 250 G HN 0.389 nan 8.290 nan 0.000 0.540 251 F N 0.589 120.511 119.950 -0.046 0.000 2.573 251 F HA 0.329 4.871 4.527 0.024 0.000 0.316 251 F C 0.933 176.820 175.800 0.144 0.000 1.148 251 F CA -0.795 57.204 58.000 -0.003 0.000 0.940 251 F CB 2.089 41.075 39.000 -0.023 0.000 1.214 251 F HN 0.666 nan 8.300 nan 0.000 0.448 252 T N 0.469 115.160 114.554 0.228 0.000 2.795 252 T HA 0.133 4.498 4.350 0.024 0.000 0.314 252 T C -1.767 172.729 174.700 -0.340 0.000 1.069 252 T CA -1.248 60.861 62.100 0.016 0.000 1.071 252 T CB 0.933 69.798 68.868 -0.006 0.000 0.988 252 T HN 0.347 nan 8.240 nan 0.000 0.543 253 P HA -0.076 nan 4.420 nan 0.000 0.218 253 P C 1.071 178.058 177.300 -0.520 0.000 1.148 253 P CA 1.141 63.401 63.100 -1.399 0.000 0.822 253 P CB 0.095 30.863 31.700 -1.553 0.000 0.784 254 E N -1.370 118.657 120.200 -0.288 0.000 2.072 254 E HA -0.176 4.188 4.350 0.024 0.000 0.191 254 E C 2.217 178.843 176.600 0.044 0.000 0.985 254 E CA 0.927 57.260 56.400 -0.112 0.000 0.801 254 E CB -1.046 28.604 29.700 -0.083 0.000 0.750 254 E HN 0.491 nan 8.360 nan 0.000 0.452 255 H N -0.012 119.054 119.070 -0.007 0.000 2.353 255 H HA -0.139 4.432 4.556 0.024 0.000 0.300 255 H C 2.252 177.772 175.328 0.321 0.000 1.090 255 H CA 1.417 57.565 56.048 0.166 0.000 1.327 255 H CB 0.291 30.160 29.762 0.179 0.000 1.383 255 H HN 0.141 nan 8.280 nan 0.000 0.508 256 Q N 0.812 120.786 119.800 0.290 0.000 2.061 256 Q HA -0.220 4.134 4.340 0.024 0.000 0.204 256 Q C 2.575 178.636 176.000 0.102 0.000 0.984 256 Q CA 1.787 57.663 55.803 0.122 0.000 0.846 256 Q CB -0.111 28.657 28.738 0.050 0.000 0.902 256 Q HN 0.354 nan 8.270 nan 0.000 0.421 257 R N -0.026 120.487 120.500 0.022 0.000 2.094 257 R HA -0.209 4.145 4.340 0.024 0.000 0.239 257 R C 1.357 177.685 176.300 0.048 0.000 1.137 257 R CA 2.163 58.259 56.100 -0.006 0.000 0.943 257 R CB -0.283 29.983 30.300 -0.057 0.000 0.850 257 R HN 0.399 nan 8.270 nan 0.000 0.433 258 D N -0.350 120.120 120.400 0.116 0.000 2.149 258 D HA -0.134 4.521 4.640 0.024 0.000 0.201 258 D C 1.593 178.011 176.300 0.196 0.000 0.972 258 D CA 0.785 54.859 54.000 0.123 0.000 0.835 258 D CB -0.356 40.509 40.800 0.108 0.000 0.966 258 D HN 0.204 nan 8.370 nan 0.000 0.476 259 F N 1.775 121.835 119.950 0.183 0.000 2.095 259 F HA -0.140 4.401 4.527 0.024 0.000 0.298 259 F C 2.083 177.898 175.800 0.025 0.000 1.104 259 F CA 1.068 59.190 58.000 0.203 0.000 1.232 259 F CB -0.473 38.727 39.000 0.334 0.000 0.987 259 F HN -0.149 nan 8.300 nan 0.000 0.475 260 I N 0.282 120.704 120.570 -0.246 0.000 2.142 260 I HA -0.313 3.872 4.170 0.024 0.000 0.240 260 I C 2.732 178.676 176.117 -0.289 0.000 1.078 260 I CA 1.356 62.413 61.300 -0.406 0.000 1.343 260 I CB -1.052 36.823 38.000 -0.209 0.000 1.046 260 I HN 0.239 nan 8.210 nan 0.000 0.405 261 A N 0.737 123.509 122.820 -0.079 0.000 1.877 261 A HA -0.174 4.161 4.320 0.024 0.000 0.216 261 A C 2.377 179.942 177.584 -0.031 0.000 1.186 261 A CA 1.498 53.557 52.037 0.036 0.000 0.620 261 A CB -0.393 18.635 19.000 0.047 0.000 0.822 261 A HN 0.265 nan 8.150 nan 0.000 0.443 262 R N -0.616 119.852 120.500 -0.053 0.000 2.127 262 R HA 0.057 4.411 4.340 0.024 0.000 0.217 262 R C 0.675 176.922 176.300 -0.088 0.000 1.074 262 R CA 1.350 57.429 56.100 -0.035 0.000 0.991 262 R CB -0.305 30.003 30.300 0.013 0.000 0.895 262 R HN 0.623 nan 8.270 nan 0.000 0.450 263 D N -0.533 119.751 120.400 -0.194 0.000 3.239 263 D HA -0.021 4.634 4.640 0.024 0.000 0.265 263 D C 1.769 177.790 176.300 -0.465 0.000 1.442 263 D CA -0.190 53.690 54.000 -0.201 0.000 1.178 263 D CB -0.336 40.511 40.800 0.079 0.000 1.198 263 D HN -0.088 nan 8.370 nan 0.000 0.366 264 L N 2.167 122.844 121.223 -0.911 0.000 2.017 264 L HA 0.056 4.410 4.340 0.024 0.000 0.208 264 L C 2.178 178.592 176.870 -0.760 0.000 1.073 264 L CA 2.232 56.505 54.840 -0.945 0.000 0.745 264 L CB -1.057 40.177 42.059 -1.375 0.000 0.894 264 L HN 0.125 nan 8.230 nan 0.000 0.432 265 G N -0.269 107.984 108.800 -0.911 0.000 2.511 265 G HA2 -0.223 3.751 3.960 0.024 0.000 0.216 265 G HA3 -0.223 3.751 3.960 0.024 0.000 0.216 265 G C -0.631 173.539 174.900 -1.218 0.000 1.218 265 G CA 0.982 45.185 45.100 -1.495 0.000 0.788 265 G HN 0.375 nan 8.290 nan 0.000 0.560 266 P HA -0.029 nan 4.420 nan 0.000 0.215 266 P C 2.050 179.214 177.300 -0.228 0.000 1.153 266 P CA 1.824 64.715 63.100 -0.348 0.000 0.853 266 P CB -0.283 31.306 31.700 -0.185 0.000 0.788 267 T N -0.079 114.325 114.554 -0.250 0.000 2.708 267 T HA -0.102 4.263 4.350 0.024 0.000 0.266 267 T C 1.791 176.417 174.700 -0.123 0.000 1.037 267 T CA 1.141 63.152 62.100 -0.148 0.000 1.146 267 T CB -0.983 67.810 68.868 -0.124 0.000 0.865 267 T HN 0.056 nan 8.240 nan 0.000 0.435 268 L N 0.776 121.885 121.223 -0.190 0.000 2.046 268 L HA -0.063 4.292 4.340 0.024 0.000 0.208 268 L C 3.072 179.935 176.870 -0.011 0.000 1.077 268 L CA 1.140 55.922 54.840 -0.097 0.000 0.747 268 L CB -0.698 41.271 42.059 -0.150 0.000 0.896 268 L HN 0.246 nan 8.230 nan 0.000 0.432 269 A N 0.073 122.869 122.820 -0.039 0.000 1.933 269 A HA -0.260 4.075 4.320 0.024 0.000 0.218 269 A C 1.983 179.582 177.584 0.024 0.000 1.175 269 A CA 2.240 54.305 52.037 0.047 0.000 0.628 269 A CB -0.757 18.296 19.000 0.088 0.000 0.814 269 A HN 0.485 nan 8.150 nan 0.000 0.444 270 N N -0.476 118.220 118.700 -0.006 0.000 2.461 270 N HA 0.009 4.763 4.740 0.024 0.000 0.188 270 N C 0.549 176.065 175.510 0.010 0.000 1.134 270 N CA 0.533 53.577 53.050 -0.010 0.000 0.878 270 N CB 0.019 38.495 38.487 -0.018 0.000 0.972 270 N HN 0.574 nan 8.380 nan 0.000 0.456 271 S N -1.721 114.003 115.700 0.041 0.000 2.693 271 S HA 0.118 4.603 4.470 0.024 0.000 0.276 271 S C 1.572 176.208 174.600 0.060 0.000 1.192 271 S CA -0.291 57.933 58.200 0.040 0.000 0.994 271 S CB 1.181 64.422 63.200 0.069 0.000 1.012 271 S HN 0.246 nan 8.310 nan 0.000 0.550 272 T N -1.644 112.867 114.554 -0.073 0.000 2.946 272 T HA -0.136 4.229 4.350 0.024 0.000 0.271 272 T C 0.838 175.349 174.700 -0.314 0.000 1.104 272 T CA 1.107 63.104 62.100 -0.171 0.000 1.114 272 T CB -0.827 67.845 68.868 -0.326 0.000 0.867 272 T HN 0.776 nan 8.240 nan 0.000 0.513 273 H N 1.096 120.160 119.070 -0.009 0.000 2.610 273 H HA 0.168 4.738 4.556 0.024 0.000 0.302 273 H C 1.559 176.818 175.328 -0.114 0.000 1.063 273 H CA 0.553 56.555 56.048 -0.076 0.000 1.159 273 H CB -0.462 29.285 29.762 -0.025 0.000 1.427 273 H HN 0.863 nan 8.280 nan 0.000 0.553 274 H N -0.820 118.270 119.070 0.035 0.000 2.489 274 H HA -0.052 4.519 4.556 0.024 0.000 0.293 274 H C 1.357 176.694 175.328 0.014 0.000 1.066 274 H CA 0.945 57.002 56.048 0.015 0.000 1.305 274 H CB 0.056 29.819 29.762 0.000 0.000 1.386 274 H HN 0.064 nan 8.280 nan 0.000 0.551 275 N N 0.914 119.410 118.700 -0.340 0.000 2.459 275 N HA -0.029 4.725 4.740 0.024 0.000 0.181 275 N C -0.073 175.391 175.510 -0.077 0.000 1.046 275 N CA 0.449 53.410 53.050 -0.149 0.000 0.904 275 N CB 0.111 38.489 38.487 -0.180 0.000 0.964 275 N HN 0.201 nan 8.380 nan 0.000 0.444 276 V N 3.657 123.539 119.914 -0.054 0.000 2.540 276 V HA -0.036 4.099 4.120 0.024 0.000 0.297 276 V C 0.894 176.901 176.094 -0.145 0.000 1.024 276 V CA -0.003 62.258 62.300 -0.066 0.000 1.105 276 V CB 0.304 32.122 31.823 -0.009 0.000 0.938 276 V HN 0.129 nan 8.190 nan 0.000 0.482 277 R N 3.631 123.958 120.500 -0.288 0.000 2.560 277 R HA 0.527 4.882 4.340 0.024 0.000 0.270 277 R C -0.542 175.590 176.300 -0.281 0.000 1.074 277 R CA -0.819 55.085 56.100 -0.327 0.000 1.140 277 R CB 0.852 30.816 30.300 -0.561 0.000 1.073 277 R HN 0.508 nan 8.270 nan 0.000 0.527 278 L N 2.169 123.289 121.223 -0.171 0.000 2.333 278 L HA 0.430 4.784 4.340 0.024 0.000 0.280 278 L C -1.172 175.621 176.870 -0.127 0.000 1.004 278 L CA -0.301 54.441 54.840 -0.164 0.000 0.820 278 L CB 1.255 43.223 42.059 -0.152 0.000 1.247 278 L HN 0.422 nan 8.230 nan 0.000 0.416 279 L N 5.828 126.957 121.223 -0.157 0.000 2.317 279 L HA 0.595 4.949 4.340 0.024 0.000 0.281 279 L C 0.225 177.036 176.870 -0.098 0.000 1.024 279 L CA -0.732 54.039 54.840 -0.116 0.000 0.810 279 L CB 1.679 43.662 42.059 -0.126 0.000 1.240 279 L HN 0.762 nan 8.230 nan 0.000 0.427 280 M N 1.939 121.493 119.600 -0.077 0.000 2.513 280 M HA 0.564 5.059 4.480 0.024 0.000 0.291 280 M C 0.518 176.771 176.300 -0.079 0.000 1.190 280 M CA -0.323 54.938 55.300 -0.065 0.000 0.960 280 M CB 1.685 34.264 32.600 -0.036 0.000 1.517 280 M HN 0.523 nan 8.290 nan 0.000 0.499 281 L N 0.158 121.325 121.223 -0.093 0.000 3.838 281 L HA -0.331 4.024 4.340 0.024 0.000 0.053 281 L C 0.289 176.929 176.870 -0.383 0.000 4.244 281 L CA 2.895 57.570 54.840 -0.275 0.000 0.724 281 L CB -1.815 40.107 42.059 -0.228 0.000 3.466 281 L HN 1.166 nan 8.230 nan 0.000 0.932 282 D N 0.609 120.828 120.400 -0.302 0.000 2.689 282 D HA -0.096 4.559 4.640 0.024 0.000 0.237 282 D C -0.373 175.412 176.300 -0.859 0.000 1.148 282 D CA 1.445 55.216 54.000 -0.382 0.000 0.656 282 D CB -0.768 39.871 40.800 -0.268 0.000 1.050 282 D HN 0.723 nan 8.370 nan 0.000 0.426 283 D N -0.966 118.979 120.400 -0.758 0.000 2.759 283 D HA 0.169 4.824 4.640 0.024 0.000 0.321 283 D C -0.444 175.635 176.300 -0.370 0.000 1.267 283 D CA -0.429 53.117 54.000 -0.757 0.000 0.933 283 D CB 0.708 41.089 40.800 -0.698 0.000 1.431 283 D HN -0.130 nan 8.370 nan 0.000 0.504 284 Q N 0.711 120.392 119.800 -0.198 0.000 2.349 284 Q HA 0.050 4.404 4.340 0.024 0.000 0.287 284 Q C 1.058 177.123 176.000 0.108 0.000 1.044 284 Q CA 0.317 56.176 55.803 0.093 0.000 0.918 284 Q CB 0.327 29.092 28.738 0.044 0.000 1.242 284 Q HN 0.512 nan 8.270 nan 0.000 0.405 285 R N 2.386 123.051 120.500 0.276 0.000 2.328 285 R HA -0.069 4.285 4.340 0.024 0.000 0.207 285 R C 1.553 177.885 176.300 0.053 0.000 1.056 285 R CA 0.743 56.874 56.100 0.052 0.000 1.016 285 R CB -0.490 29.737 30.300 -0.121 0.000 0.872 285 R HN 0.636 nan 8.270 nan 0.000 0.471 286 L N -0.928 120.401 121.223 0.176 0.000 2.362 286 L HA 0.030 4.384 4.340 0.024 0.000 0.219 286 L C 1.339 178.255 176.870 0.076 0.000 1.134 286 L CA 1.311 56.227 54.840 0.126 0.000 0.807 286 L CB -0.537 41.634 42.059 0.186 0.000 0.927 286 L HN 0.226 nan 8.230 nan 0.000 0.447 287 L N 0.424 121.660 121.223 0.023 0.000 2.599 287 L HA 0.203 4.557 4.340 0.024 0.000 0.230 287 L C 0.743 177.719 176.870 0.177 0.000 1.141 287 L CA 0.075 54.944 54.840 0.048 0.000 0.877 287 L CB -0.008 41.859 42.059 -0.320 0.000 1.009 287 L HN 0.230 nan 8.230 nan 0.000 0.447 288 L N 0.317 121.608 121.223 0.112 0.000 2.334 288 L HA 0.323 4.678 4.340 0.024 0.000 0.272 288 L C -1.324 175.627 176.870 0.135 0.000 1.020 288 L CA -1.549 53.374 54.840 0.139 0.000 0.812 288 L CB 1.416 43.520 42.059 0.076 0.000 1.264 288 L HN -0.213 nan 8.230 nan 0.000 0.439 289 P HA -0.076 nan 4.420 nan 0.000 0.249 289 P C 0.960 178.401 177.300 0.235 0.000 1.229 289 P CA 0.687 63.900 63.100 0.188 0.000 0.788 289 P CB 0.123 31.919 31.700 0.161 0.000 1.072 290 H N -0.411 118.763 119.070 0.174 0.000 2.289 290 H HA -0.175 4.395 4.556 0.024 0.000 0.296 290 H C 1.551 176.980 175.328 0.169 0.000 1.091 290 H CA 2.226 58.369 56.048 0.157 0.000 1.274 290 H CB -0.823 29.025 29.762 0.143 0.000 1.364 290 H HN 0.019 nan 8.280 nan 0.000 0.490 291 W N 0.562 121.831 121.300 -0.052 0.000 2.338 291 W HA -0.109 4.566 4.660 0.025 0.000 0.304 291 W C 2.922 179.343 176.519 -0.163 0.000 1.212 291 W CA 2.115 59.384 57.345 -0.126 0.000 1.264 291 W CB -0.877 28.557 29.460 -0.044 0.000 1.142 291 W HN 0.386 nan 8.180 nan 0.000 0.512 292 A N 0.097 122.991 122.820 0.123 0.000 1.877 292 A HA -0.238 4.096 4.320 0.024 0.000 0.216 292 A C 1.928 179.380 177.584 -0.219 0.000 1.186 292 A CA 2.090 54.082 52.037 -0.076 0.000 0.620 292 A CB -0.711 18.309 19.000 0.034 0.000 0.822 292 A HN 0.301 nan 8.150 nan 0.000 0.443 293 K N -0.529 119.888 120.400 0.027 0.000 2.032 293 K HA -0.091 4.243 4.320 0.024 0.000 0.209 293 K C 1.899 178.438 176.600 -0.101 0.000 1.048 293 K CA 1.524 57.871 56.287 0.100 0.000 0.927 293 K CB -0.440 32.127 32.500 0.111 0.000 0.712 293 K HN 0.288 nan 8.250 nan 0.000 0.441 294 V N 0.838 120.598 119.914 -0.255 0.000 2.255 294 V HA -0.258 3.877 4.120 0.024 0.000 0.247 294 V C 2.239 178.209 176.094 -0.206 0.000 1.051 294 V CA 1.744 63.876 62.300 -0.280 0.000 1.018 294 V CB -0.411 31.140 31.823 -0.454 0.000 0.641 294 V HN 0.109 nan 8.190 nan 0.000 0.445 295 V N -0.514 119.271 119.914 -0.214 0.000 2.323 295 V HA -0.162 3.973 4.120 0.024 0.000 0.244 295 V C 2.145 178.119 176.094 -0.200 0.000 1.041 295 V CA 1.804 64.000 62.300 -0.175 0.000 1.025 295 V CB -0.453 31.291 31.823 -0.132 0.000 0.656 295 V HN 0.427 nan 8.190 nan 0.000 0.451 296 L N 0.552 121.573 121.223 -0.338 0.000 2.418 296 L HA -0.013 4.341 4.340 0.024 0.000 0.218 296 L C 2.334 179.079 176.870 -0.210 0.000 1.125 296 L CA 1.360 55.937 54.840 -0.438 0.000 0.835 296 L CB -0.656 40.760 42.059 -1.071 0.000 0.953 296 L HN 0.537 nan 8.230 nan 0.000 0.454 297 T N -4.226 110.276 114.554 -0.087 0.000 3.252 297 T HA -0.032 4.333 4.350 0.024 0.000 0.250 297 T C 0.367 175.061 174.700 -0.011 0.000 1.123 297 T CA -0.215 61.908 62.100 0.039 0.000 1.006 297 T CB -0.350 68.569 68.868 0.085 0.000 0.992 297 T HN 0.024 nan 8.240 nan 0.000 0.547 298 D N 2.014 122.384 120.400 -0.050 0.000 2.441 298 D HA 0.293 4.947 4.640 0.024 0.000 0.231 298 D C -1.615 174.653 176.300 -0.053 0.000 1.073 298 D CA -2.692 51.281 54.000 -0.045 0.000 0.850 298 D CB 2.224 42.995 40.800 -0.048 0.000 1.062 298 D HN -0.027 nan 8.370 nan 0.000 0.524 299 P HA -0.123 nan 4.420 nan 0.000 0.220 299 P C 0.800 178.042 177.300 -0.096 0.000 1.148 299 P CA 0.749 63.808 63.100 -0.068 0.000 0.803 299 P CB 0.637 32.304 31.700 -0.055 0.000 0.782 300 E N -0.195 119.966 120.200 -0.064 0.000 2.208 300 E HA -0.033 4.332 4.350 0.024 0.000 0.193 300 E C 2.013 178.617 176.600 0.006 0.000 0.988 300 E CA 1.055 57.426 56.400 -0.048 0.000 0.828 300 E CB -0.541 29.159 29.700 -0.001 0.000 0.763 300 E HN 0.267 nan 8.360 nan 0.000 0.478 301 A N 1.180 124.000 122.820 -0.001 0.000 1.887 301 A HA 0.212 4.546 4.320 0.024 0.000 0.212 301 A C 2.397 179.971 177.584 -0.017 0.000 1.198 301 A CA 1.172 53.230 52.037 0.035 0.000 0.628 301 A CB -0.530 18.458 19.000 -0.020 0.000 0.847 301 A HN 0.219 nan 8.150 nan 0.000 0.449 302 A N 1.457 124.227 122.820 -0.084 0.000 1.958 302 A HA -0.262 4.072 4.320 0.024 0.000 0.221 302 A C 2.078 179.585 177.584 -0.127 0.000 1.178 302 A CA 2.286 54.257 52.037 -0.110 0.000 0.642 302 A CB -0.686 18.250 19.000 -0.107 0.000 0.816 302 A HN 0.710 nan 8.150 nan 0.000 0.453 303 K N -1.869 118.398 120.400 -0.223 0.000 2.360 303 K HA -0.120 4.214 4.320 0.024 0.000 0.201 303 K C 1.264 177.660 176.600 -0.341 0.000 1.046 303 K CA 1.644 57.737 56.287 -0.325 0.000 0.945 303 K CB -0.393 31.817 32.500 -0.483 0.000 0.750 303 K HN 0.618 nan 8.250 nan 0.000 0.464 304 Y N 0.906 121.160 120.300 -0.078 0.000 2.458 304 Y HA 0.172 4.736 4.550 0.024 0.000 0.254 304 Y C 0.388 176.233 175.900 -0.092 0.000 1.120 304 Y CA -0.837 57.207 58.100 -0.093 0.000 1.282 304 Y CB 1.124 39.504 38.460 -0.134 0.000 1.109 304 Y HN -0.203 nan 8.280 nan 0.000 0.526 305 V N 0.881 120.820 119.914 0.042 0.000 2.385 305 V HA 0.002 4.136 4.120 0.024 0.000 0.269 305 V C 0.682 176.790 176.094 0.024 0.000 1.043 305 V CA -0.222 62.075 62.300 -0.004 0.000 0.906 305 V CB 0.985 32.772 31.823 -0.059 0.000 0.995 305 V HN 0.319 nan 8.190 nan 0.000 0.467 306 H N 3.839 122.868 119.070 -0.067 0.000 2.482 306 H HA 0.390 4.960 4.556 0.024 0.000 0.286 306 H C 0.737 176.051 175.328 -0.023 0.000 1.017 306 H CA 0.999 57.018 56.048 -0.048 0.000 1.322 306 H CB 0.545 30.264 29.762 -0.072 0.000 1.426 306 H HN 0.765 nan 8.280 nan 0.000 0.546 307 G N -0.722 107.992 108.800 -0.144 0.000 2.559 307 G HA2 0.426 4.401 3.960 0.024 0.000 0.291 307 G HA3 0.426 4.401 3.960 0.024 0.000 0.291 307 G C -1.667 173.200 174.900 -0.056 0.000 1.424 307 G CA -0.727 44.285 45.100 -0.147 0.000 0.786 307 G HN 0.135 nan 8.290 nan 0.000 0.485 308 I N 1.178 121.748 120.570 -0.001 0.000 2.389 308 I HA 0.566 4.750 4.170 0.024 0.000 0.288 308 I C 0.547 176.706 176.117 0.070 0.000 0.999 308 I CA -0.745 60.562 61.300 0.012 0.000 1.129 308 I CB 1.933 39.943 38.000 0.017 0.000 1.288 308 I HN 0.638 nan 8.210 nan 0.000 0.444 309 A N 6.767 129.616 122.820 0.049 0.000 2.309 309 A HA 0.755 5.089 4.320 0.024 0.000 0.298 309 A C -0.298 177.300 177.584 0.024 0.000 1.165 309 A CA -0.445 51.663 52.037 0.117 0.000 0.821 309 A CB 0.882 19.954 19.000 0.121 0.000 1.102 309 A HN 0.621 nan 8.150 nan 0.000 0.500 310 V N 0.746 120.685 119.914 0.043 0.000 2.914 310 V HA 0.657 4.791 4.120 0.024 0.000 0.314 310 V C -0.522 175.635 176.094 0.105 0.000 1.084 310 V CA -0.732 61.576 62.300 0.012 0.000 0.963 310 V CB 1.385 33.202 31.823 -0.010 0.000 1.025 310 V HN 0.932 nan 8.190 nan 0.000 0.432 311 H N 2.565 121.580 119.070 -0.092 0.000 2.573 311 H HA 0.479 5.050 4.556 0.024 0.000 0.351 311 H C -1.549 173.847 175.328 0.114 0.000 1.163 311 H CA -0.590 55.376 56.048 -0.137 0.000 1.205 311 H CB 2.353 32.021 29.762 -0.155 0.000 1.605 311 H HN 0.792 nan 8.280 nan 0.000 0.525 312 W N 2.733 123.888 121.300 -0.243 0.000 2.915 312 W HA 0.225 4.899 4.660 0.024 0.000 0.337 312 W C -1.722 174.656 176.519 -0.235 0.000 1.102 312 W CA -0.763 56.517 57.345 -0.108 0.000 1.224 312 W CB 1.938 31.374 29.460 -0.039 0.000 1.416 312 W HN 0.584 nan 8.180 nan 0.000 0.503 313 Y N 4.783 124.670 120.300 -0.688 0.000 2.385 313 Y HA 0.177 4.742 4.550 0.024 0.000 0.341 313 Y C 1.167 176.959 175.900 -0.181 0.000 0.965 313 Y CA -0.234 57.669 58.100 -0.329 0.000 1.180 313 Y CB 0.914 39.219 38.460 -0.259 0.000 1.139 313 Y HN 0.244 nan 8.280 nan 0.000 0.502 314 L N 1.793 123.116 121.223 0.167 0.000 2.376 314 L HA -0.106 4.249 4.340 0.024 0.000 0.219 314 L C 0.933 177.946 176.870 0.238 0.000 1.133 314 L CA 0.760 55.788 54.840 0.314 0.000 0.816 314 L CB 0.016 42.244 42.059 0.282 0.000 0.933 314 L HN 0.652 nan 8.230 nan 0.000 0.449 315 D N -0.161 120.300 120.400 0.102 0.000 2.363 315 D HA 0.013 4.668 4.640 0.024 0.000 0.226 315 D C 0.235 176.310 176.300 -0.374 0.000 1.020 315 D CA 0.738 54.625 54.000 -0.189 0.000 0.892 315 D CB 0.136 40.682 40.800 -0.424 0.000 0.900 315 D HN 0.120 nan 8.370 nan 0.000 0.531 316 F N -0.079 119.932 119.950 0.102 0.000 2.523 316 F HA 0.404 4.946 4.527 0.025 0.000 0.329 316 F C -0.033 176.033 175.800 0.444 0.000 1.061 316 F CA -1.342 56.766 58.000 0.180 0.000 0.967 316 F CB 1.193 40.207 39.000 0.023 0.000 1.218 316 F HN -0.346 nan 8.300 nan 0.000 0.480 317 L N 1.068 122.633 121.223 0.570 0.000 2.470 317 L HA 0.773 5.127 4.340 0.024 0.000 0.253 317 L C -0.098 176.988 176.870 0.360 0.000 1.163 317 L CA -0.861 54.257 54.840 0.464 0.000 0.932 317 L CB 0.117 42.347 42.059 0.285 0.000 1.213 317 L HN 0.597 nan 8.230 nan 0.000 0.485 318 A N 2.652 125.710 122.820 0.396 0.000 2.310 318 A HA 0.790 5.124 4.320 0.024 0.000 0.260 318 A C -1.130 176.396 177.584 -0.095 0.000 1.112 318 A CA -0.413 51.678 52.037 0.090 0.000 0.804 318 A CB -0.161 18.805 19.000 -0.056 0.000 1.081 318 A HN 0.635 nan 8.150 nan 0.000 0.499 319 P HA 0.320 nan 4.420 nan 0.000 0.223 319 P C 0.613 177.754 177.300 -0.265 0.000 1.148 319 P CA 1.829 64.851 63.100 -0.129 0.000 0.870 319 P CB 0.656 32.310 31.700 -0.076 0.000 0.859 320 A N -0.517 122.085 122.820 -0.364 0.000 1.871 320 A HA -0.269 4.066 4.320 0.024 0.000 0.212 320 A C 1.838 178.992 177.584 -0.716 0.000 0.611 320 A CA 1.437 53.134 52.037 -0.567 0.000 1.256 320 A CB -2.447 16.146 19.000 -0.678 0.000 1.392 320 A HN 0.226 nan 8.150 nan 0.000 0.705 321 K N 0.267 120.229 120.400 -0.730 0.000 2.057 321 K HA 0.073 4.407 4.320 0.024 0.000 0.207 321 K C 2.134 178.627 176.600 -0.180 0.000 1.049 321 K CA 1.785 57.790 56.287 -0.470 0.000 0.931 321 K CB -0.352 32.071 32.500 -0.127 0.000 0.714 321 K HN 1.050 nan 8.250 nan 0.000 0.440 322 A N 0.399 123.135 122.820 -0.140 0.000 2.070 322 A HA -0.142 4.193 4.320 0.024 0.000 0.220 322 A C 1.908 179.463 177.584 -0.049 0.000 1.159 322 A CA 2.170 54.171 52.037 -0.061 0.000 0.656 322 A CB -0.538 18.437 19.000 -0.043 0.000 0.800 322 A HN 0.650 nan 8.150 nan 0.000 0.453 323 T N -3.173 111.321 114.554 -0.101 0.000 3.391 323 T HA 0.219 4.583 4.350 0.024 0.000 0.233 323 T C 1.807 176.485 174.700 -0.036 0.000 0.960 323 T CA 0.535 62.598 62.100 -0.062 0.000 1.342 323 T CB -0.645 68.158 68.868 -0.109 0.000 1.124 323 T HN 0.129 nan 8.240 nan 0.000 0.396 324 L N 1.417 122.583 121.223 -0.095 0.000 2.017 324 L HA 0.137 4.491 4.340 0.024 0.000 0.208 324 L C 3.131 180.090 176.870 0.148 0.000 1.073 324 L CA 1.693 56.540 54.840 0.013 0.000 0.745 324 L CB -1.112 40.930 42.059 -0.029 0.000 0.894 324 L HN 0.571 nan 8.230 nan 0.000 0.432 325 G N -0.382 108.485 108.800 0.112 0.000 2.402 325 G HA2 -0.290 3.685 3.960 0.024 0.000 0.216 325 G HA3 -0.290 3.685 3.960 0.024 0.000 0.216 325 G C 1.476 176.481 174.900 0.175 0.000 1.162 325 G CA 0.757 46.037 45.100 0.298 0.000 0.777 325 G HN 0.305 nan 8.290 nan 0.000 0.539 326 E N 0.562 120.815 120.200 0.088 0.000 2.110 326 E HA -0.072 4.293 4.350 0.024 0.000 0.193 326 E C 2.583 179.209 176.600 0.043 0.000 0.988 326 E CA 1.652 58.083 56.400 0.051 0.000 0.804 326 E CB -0.584 29.137 29.700 0.035 0.000 0.745 326 E HN 0.324 nan 8.360 nan 0.000 0.458 327 T N 0.072 114.683 114.554 0.096 0.000 2.777 327 T HA -0.171 4.193 4.350 0.024 0.000 0.266 327 T C 1.647 176.422 174.700 0.126 0.000 1.040 327 T CA 1.335 63.529 62.100 0.156 0.000 1.141 327 T CB -0.526 68.453 68.868 0.185 0.000 0.868 327 T HN 0.387 nan 8.240 nan 0.000 0.444 328 H N 1.540 120.608 119.070 -0.005 0.000 2.353 328 H HA -0.031 4.540 4.556 0.025 0.000 0.300 328 H C 2.625 177.861 175.328 -0.154 0.000 1.090 328 H CA 1.655 57.625 56.048 -0.130 0.000 1.327 328 H CB -0.088 29.385 29.762 -0.483 0.000 1.383 328 H HN 0.239 nan 8.280 nan 0.000 0.508 329 R N 0.370 120.775 120.500 -0.159 0.000 2.083 329 R HA -0.129 4.226 4.340 0.024 0.000 0.237 329 R C 2.727 178.843 176.300 -0.306 0.000 1.137 329 R CA 1.647 57.631 56.100 -0.193 0.000 0.951 329 R CB -0.193 30.070 30.300 -0.063 0.000 0.851 329 R HN 0.325 nan 8.270 nan 0.000 0.434 330 L N -0.719 120.276 121.223 -0.380 0.000 2.056 330 L HA -0.065 4.290 4.340 0.024 0.000 0.207 330 L C 0.527 176.774 176.870 -1.038 0.000 1.078 330 L CA 1.048 55.418 54.840 -0.782 0.000 0.749 330 L CB 0.044 41.484 42.059 -1.033 0.000 0.901 330 L HN 0.124 nan 8.230 nan 0.000 0.433 331 F N -1.024 118.846 119.950 -0.133 0.000 2.564 331 F HA 0.292 4.833 4.527 0.024 0.000 0.329 331 F C -1.635 174.045 175.800 -0.200 0.000 1.458 331 F CA -1.511 56.413 58.000 -0.127 0.000 1.117 331 F CB 0.277 39.235 39.000 -0.071 0.000 1.383 331 F HN -0.163 nan 8.300 nan 0.000 0.571 332 P HA -0.144 nan 4.420 nan 0.000 0.221 332 P C 0.505 177.737 177.300 -0.112 0.000 1.145 332 P CA 1.349 64.170 63.100 -0.466 0.000 0.795 332 P CB 0.373 31.814 31.700 -0.432 0.000 0.775 333 N N -0.870 117.817 118.700 -0.021 0.000 2.280 333 N HA 0.031 4.785 4.740 0.024 0.000 0.192 333 N C 0.000 175.524 175.510 0.022 0.000 1.109 333 N CA 0.508 53.571 53.050 0.022 0.000 0.855 333 N CB 0.211 38.712 38.487 0.024 0.000 0.974 333 N HN 0.085 nan 8.380 nan 0.000 0.482 334 T N 2.751 117.325 114.554 0.033 0.000 2.801 334 T HA 0.291 4.656 4.350 0.024 0.000 0.306 334 T C 0.536 175.241 174.700 0.008 0.000 1.020 334 T CA -0.721 61.369 62.100 -0.016 0.000 0.948 334 T CB 0.676 69.539 68.868 -0.008 0.000 0.962 334 T HN 0.105 nan 8.240 nan 0.000 0.465 335 M N 3.425 122.988 119.600 -0.062 0.000 2.252 335 M HA 0.368 4.863 4.480 0.024 0.000 0.333 335 M C -0.899 175.451 176.300 0.082 0.000 1.111 335 M CA 0.330 55.648 55.300 0.030 0.000 1.140 335 M CB -0.238 32.364 32.600 0.004 0.000 1.538 335 M HN 0.335 nan 8.290 nan 0.000 0.448 336 L N 3.332 124.647 121.223 0.155 0.000 2.307 336 L HA 0.684 5.038 4.340 0.024 0.000 0.284 336 L C -1.088 175.922 176.870 0.233 0.000 1.023 336 L CA -0.293 54.648 54.840 0.167 0.000 0.810 336 L CB 1.168 43.320 42.059 0.155 0.000 1.231 336 L HN 0.812 nan 8.230 nan 0.000 0.423 337 F N 2.607 122.585 119.950 0.047 0.000 2.561 337 F HA 0.699 5.241 4.527 0.025 0.000 0.313 337 F C -0.417 175.383 175.800 0.001 0.000 1.126 337 F CA -0.745 57.285 58.000 0.051 0.000 0.918 337 F CB 1.568 40.648 39.000 0.133 0.000 1.199 337 F HN 0.420 nan 8.300 nan 0.000 0.444 338 A N 3.432 125.829 122.820 -0.705 0.000 2.279 338 A HA 0.473 4.808 4.320 0.024 0.000 0.306 338 A C 0.421 177.519 177.584 -0.810 0.000 1.300 338 A CA 0.223 51.898 52.037 -0.604 0.000 0.925 338 A CB 0.048 18.665 19.000 -0.640 0.000 1.152 338 A HN 0.975 nan 8.150 nan 0.000 0.544 339 S N 1.267 116.760 115.700 -0.344 0.000 2.517 339 S HA 0.243 4.727 4.470 0.024 0.000 0.214 339 S C 0.324 174.723 174.600 -0.335 0.000 0.991 339 S CA 0.296 58.448 58.200 -0.080 0.000 0.906 339 S CB 0.126 63.463 63.200 0.229 0.000 0.789 339 S HN 0.792 nan 8.310 nan 0.000 0.513 340 E N -0.315 119.497 120.200 -0.646 0.000 2.388 340 E HA 0.603 4.967 4.350 0.024 0.000 0.289 340 E C -1.982 174.084 176.600 -0.890 0.000 0.944 340 E CA -0.502 55.390 56.400 -0.847 0.000 0.792 340 E CB 1.864 30.741 29.700 -1.371 0.000 1.239 340 E HN 0.332 nan 8.360 nan 0.000 0.412 341 A N 2.141 124.464 122.820 -0.829 0.000 2.475 341 A HA 0.875 5.209 4.320 0.024 0.000 0.301 341 A C -0.929 176.416 177.584 -0.397 0.000 1.059 341 A CA -0.437 51.160 52.037 -0.732 0.000 0.710 341 A CB 0.972 19.320 19.000 -1.086 0.000 1.288 341 A HN 0.886 nan 8.150 nan 0.000 0.408 342 C N -0.087 119.049 119.300 -0.274 0.000 3.311 342 C HA 0.910 5.384 4.460 0.024 0.000 0.325 342 C C -0.730 174.352 174.990 0.154 0.000 1.352 342 C CA -0.234 58.824 59.018 0.066 0.000 1.308 342 C CB 0.795 28.638 27.740 0.171 0.000 1.619 342 C HN 1.908 nan 8.230 nan 0.000 0.469 343 V N -0.938 119.139 119.914 0.272 0.000 2.735 343 V HA 0.988 5.123 4.120 0.024 0.000 0.310 343 V C 0.412 176.592 176.094 0.143 0.000 1.061 343 V CA 0.253 62.675 62.300 0.203 0.000 0.913 343 V CB 0.805 32.749 31.823 0.202 0.000 1.005 343 V HN 2.969 nan 8.190 nan 0.000 0.428 344 G N 2.792 111.634 108.800 0.069 0.000 2.799 344 G HA2 0.086 4.060 3.960 0.024 0.000 0.271 344 G HA3 0.086 4.060 3.960 0.024 0.000 0.271 344 G C 0.222 175.194 174.900 0.120 0.000 1.067 344 G CA 0.429 45.526 45.100 -0.005 0.000 1.251 344 G HN 2.074 nan 8.290 nan 0.000 0.560 345 S N 0.472 116.299 115.700 0.212 0.000 3.366 345 S HA -0.314 4.171 4.470 0.024 0.000 0.625 345 S C 1.055 175.444 174.600 -0.351 0.000 2.797 345 S CA 1.385 59.643 58.200 0.098 0.000 3.953 345 S CB -0.592 62.629 63.200 0.035 0.000 0.301 345 S HN 1.906 nan 8.310 nan 0.000 1.237 346 K N 1.240 121.114 120.400 -0.876 0.000 4.462 346 K HA -0.212 4.123 4.320 0.024 0.000 0.278 346 K C -0.644 175.403 176.600 -0.921 0.000 0.789 346 K CA 0.787 56.328 56.287 -1.243 0.000 0.765 346 K CB -1.843 29.957 32.500 -1.167 0.000 1.839 346 K HN 0.357 nan 8.250 nan 0.000 0.418 347 F N 1.875 121.693 119.950 -0.221 0.000 2.502 347 F HA 0.176 4.718 4.527 0.025 0.000 0.371 347 F C 1.259 177.197 175.800 0.230 0.000 1.083 347 F CA -0.244 57.763 58.000 0.011 0.000 1.174 347 F CB -0.425 38.636 39.000 0.102 0.000 1.096 347 F HN 0.684 nan 8.300 nan 0.000 0.545 348 W N 0.816 122.205 121.300 0.150 0.000 0.399 348 W HA -0.024 4.649 4.660 0.023 0.000 0.185 348 W C -1.104 175.463 176.519 0.080 0.000 0.835 348 W CA 0.066 57.466 57.345 0.092 0.000 0.257 348 W CB -1.256 28.236 29.460 0.054 0.000 1.489 348 W HN 0.347 nan 8.180 nan 0.000 0.318 349 E N 1.860 121.900 120.200 -0.267 0.000 2.359 349 E HA 0.376 4.741 4.350 0.024 0.000 0.266 349 E C 0.048 176.599 176.600 -0.081 0.000 0.920 349 E CA -0.795 55.531 56.400 -0.122 0.000 0.788 349 E CB 1.576 31.190 29.700 -0.143 0.000 1.279 349 E HN 0.285 nan 8.360 nan 0.000 0.438 350 Q N -0.054 119.745 119.800 -0.002 0.000 2.651 350 Q HA 0.098 4.453 4.340 0.024 0.000 0.224 350 Q C 1.167 177.158 176.000 -0.014 0.000 1.094 350 Q CA 0.093 55.905 55.803 0.015 0.000 1.018 350 Q CB 0.446 29.198 28.738 0.023 0.000 1.292 350 Q HN 0.430 nan 8.270 nan 0.000 0.588 351 S N -0.419 115.305 115.700 0.040 0.000 2.357 351 S HA -0.031 4.454 4.470 0.024 0.000 0.221 351 S C 0.571 175.173 174.600 0.003 0.000 1.031 351 S CA 0.536 58.783 58.200 0.079 0.000 0.982 351 S CB 0.348 63.659 63.200 0.184 0.000 0.853 351 S HN 0.360 nan 8.310 nan 0.000 0.458 352 V N 2.652 122.533 119.914 -0.056 0.000 2.370 352 V HA 0.415 4.550 4.120 0.024 0.000 0.283 352 V C -0.111 175.833 176.094 -0.250 0.000 1.023 352 V CA -0.517 61.704 62.300 -0.130 0.000 0.857 352 V CB 1.318 33.067 31.823 -0.123 0.000 0.985 352 V HN 0.211 nan 8.190 nan 0.000 0.443 353 R N 4.875 125.141 120.500 -0.390 0.000 2.402 353 R HA 0.433 4.787 4.340 0.024 0.000 0.290 353 R C -0.926 174.934 176.300 -0.733 0.000 1.321 353 R CA -0.616 54.967 56.100 -0.862 0.000 1.283 353 R CB 1.216 30.968 30.300 -0.914 0.000 1.111 353 R HN 0.622 nan 8.270 nan 0.000 0.578 354 L N 2.117 123.011 121.223 -0.548 0.000 2.654 354 L HA 0.017 4.371 4.340 0.024 0.000 0.271 354 L C 1.265 178.088 176.870 -0.079 0.000 1.169 354 L CA 0.912 55.538 54.840 -0.356 0.000 0.947 354 L CB 0.405 42.014 42.059 -0.751 0.000 1.232 354 L HN 0.978 nan 8.230 nan 0.000 0.486 355 G N 1.957 110.746 108.800 -0.018 0.000 2.144 355 G HA2 -0.263 3.712 3.960 0.024 0.000 0.218 355 G HA3 -0.263 3.712 3.960 0.024 0.000 0.218 355 G C 0.356 175.350 174.900 0.156 0.000 0.988 355 G CA 0.095 45.278 45.100 0.139 0.000 0.659 355 G HN 0.632 nan 8.290 nan 0.000 0.522 356 S N 0.188 115.901 115.700 0.021 0.000 2.507 356 S HA 0.189 4.673 4.470 0.024 0.000 0.299 356 S C 1.296 175.955 174.600 0.098 0.000 1.214 356 S CA 0.497 58.721 58.200 0.040 0.000 1.137 356 S CB -0.231 62.905 63.200 -0.107 0.000 1.009 356 S HN 0.458 nan 8.310 nan 0.000 0.512 357 W N 4.586 125.888 121.300 0.003 0.000 2.402 357 W HA -0.133 4.545 4.660 0.030 0.000 0.286 357 W C 1.346 177.834 176.519 -0.050 0.000 1.221 357 W CA 1.540 58.885 57.345 -0.001 0.000 1.257 357 W CB -0.310 29.152 29.460 0.003 0.000 1.120 357 W HN 0.853 nan 8.180 nan 0.000 0.551 358 D N 0.061 120.480 120.400 0.030 0.000 2.117 358 D HA -0.190 4.465 4.640 0.024 0.000 0.197 358 D C 2.212 178.437 176.300 -0.125 0.000 0.987 358 D CA 1.735 55.717 54.000 -0.029 0.000 0.829 358 D CB -0.097 40.725 40.800 0.037 0.000 0.961 358 D HN 0.055 nan 8.370 nan 0.000 0.460 359 R N -0.539 119.881 120.500 -0.134 0.000 2.115 359 R HA 0.061 4.416 4.340 0.024 0.000 0.230 359 R C 2.457 178.610 176.300 -0.246 0.000 1.111 359 R CA 1.056 57.080 56.100 -0.128 0.000 0.976 359 R CB -0.382 29.843 30.300 -0.125 0.000 0.870 359 R HN 0.209 nan 8.270 nan 0.000 0.445 360 G N 0.954 109.462 108.800 -0.487 0.000 2.421 360 G HA2 -0.264 3.711 3.960 0.024 0.000 0.216 360 G HA3 -0.264 3.711 3.960 0.024 0.000 0.216 360 G C 1.434 175.680 174.900 -1.090 0.000 1.171 360 G CA 0.610 45.184 45.100 -0.878 0.000 0.775 360 G HN 0.152 nan 8.290 nan 0.000 0.543 361 M N 0.059 119.079 119.600 -0.968 0.000 2.213 361 M HA -0.103 4.392 4.480 0.024 0.000 0.263 361 M C 2.753 179.019 176.300 -0.055 0.000 1.062 361 M CA 1.221 56.274 55.300 -0.412 0.000 1.105 361 M CB -0.306 32.187 32.600 -0.180 0.000 1.385 361 M HN 0.313 nan 8.290 nan 0.000 0.417 362 Q N -0.775 119.023 119.800 -0.003 0.000 2.119 362 Q HA -0.180 4.174 4.340 0.024 0.000 0.201 362 Q C 1.852 177.999 176.000 0.244 0.000 0.972 362 Q CA 1.440 57.345 55.803 0.169 0.000 0.847 362 Q CB -0.157 28.699 28.738 0.196 0.000 0.903 362 Q HN 0.474 nan 8.270 nan 0.000 0.433 363 Y N 0.945 121.235 120.300 -0.016 0.000 2.089 363 Y HA -0.258 4.307 4.550 0.024 0.000 0.282 363 Y C 2.937 178.702 175.900 -0.226 0.000 1.139 363 Y CA 1.550 59.613 58.100 -0.061 0.000 1.123 363 Y CB -0.760 37.678 38.460 -0.038 0.000 0.980 363 Y HN 0.183 nan 8.280 nan 0.000 0.493 364 S N -1.029 114.750 115.700 0.131 0.000 2.368 364 S HA -0.276 4.209 4.470 0.024 0.000 0.225 364 S C 2.049 176.694 174.600 0.076 0.000 1.030 364 S CA 1.534 59.847 58.200 0.189 0.000 0.999 364 S CB -1.066 62.478 63.200 0.575 0.000 0.844 364 S HN 0.635 nan 8.310 nan 0.000 0.459 365 H N 1.111 120.208 119.070 0.045 0.000 2.319 365 H HA -0.082 4.488 4.556 0.024 0.000 0.299 365 H C 2.452 177.760 175.328 -0.034 0.000 1.092 365 H CA 1.779 57.848 56.048 0.035 0.000 1.302 365 H CB -0.464 29.338 29.762 0.067 0.000 1.373 365 H HN 0.561 nan 8.280 nan 0.000 0.497 366 S N 0.028 115.668 115.700 -0.100 0.000 2.368 366 S HA -0.113 4.372 4.470 0.024 0.000 0.225 366 S C 2.384 176.802 174.600 -0.303 0.000 1.030 366 S CA 1.341 59.474 58.200 -0.111 0.000 0.999 366 S CB -0.346 62.951 63.200 0.162 0.000 0.844 366 S HN 0.434 nan 8.310 nan 0.000 0.459 367 I N 0.898 121.035 120.570 -0.722 0.000 2.226 367 I HA -0.158 4.027 4.170 0.024 0.000 0.245 367 I C 2.166 177.931 176.117 -0.587 0.000 1.100 367 I CA 1.158 61.827 61.300 -1.052 0.000 1.374 367 I CB -0.347 36.609 38.000 -1.740 0.000 1.057 367 I HN 0.327 nan 8.210 nan 0.000 0.413 368 I N 0.209 120.532 120.570 -0.411 0.000 2.142 368 I HA -0.279 3.905 4.170 0.024 0.000 0.240 368 I C 2.568 178.587 176.117 -0.163 0.000 1.078 368 I CA 1.594 62.803 61.300 -0.152 0.000 1.343 368 I CB -0.586 37.421 38.000 0.013 0.000 1.046 368 I HN 0.198 nan 8.210 nan 0.000 0.405 369 T N 0.606 115.025 114.554 -0.224 0.000 2.665 369 T HA -0.220 4.144 4.350 0.024 0.000 0.268 369 T C 1.737 176.425 174.700 -0.020 0.000 1.035 369 T CA 1.750 63.774 62.100 -0.128 0.000 1.151 369 T CB -0.499 68.235 68.868 -0.223 0.000 0.862 369 T HN 0.373 nan 8.240 nan 0.000 0.438 370 N N 0.870 119.530 118.700 -0.065 0.000 2.043 370 N HA -0.034 4.720 4.740 0.024 0.000 0.193 370 N C 1.946 177.434 175.510 -0.036 0.000 1.037 370 N CA 1.133 54.180 53.050 -0.005 0.000 0.851 370 N CB -0.322 38.209 38.487 0.074 0.000 1.027 370 N HN 0.328 nan 8.380 nan 0.000 0.422 371 L N 1.155 122.328 121.223 -0.083 0.000 2.191 371 L HA -0.112 4.243 4.340 0.024 0.000 0.212 371 L C 2.016 178.767 176.870 -0.197 0.000 1.103 371 L CA 0.661 55.451 54.840 -0.084 0.000 0.769 371 L CB -0.255 41.791 42.059 -0.022 0.000 0.908 371 L HN 0.178 nan 8.230 nan 0.000 0.438 372 L N -1.773 119.296 121.223 -0.256 0.000 2.554 372 L HA -0.092 4.262 4.340 0.024 0.000 0.226 372 L C 0.405 176.727 176.870 -0.913 0.000 1.137 372 L CA 0.517 55.040 54.840 -0.527 0.000 0.863 372 L CB -0.016 41.747 42.059 -0.493 0.000 0.985 372 L HN 0.237 nan 8.230 nan 0.000 0.451 373 Y N -1.183 118.855 120.300 -0.437 0.000 2.629 373 Y HA 0.240 4.805 4.550 0.024 0.000 0.282 373 Y C 0.364 176.015 175.900 -0.414 0.000 0.994 373 Y CA -0.607 57.165 58.100 -0.546 0.000 1.126 373 Y CB -0.072 38.255 38.460 -0.221 0.000 1.187 373 Y HN 0.159 nan 8.280 nan 0.000 0.600 374 H N -3.089 115.912 119.070 -0.114 0.000 3.628 374 H HA -0.143 4.428 4.556 0.025 0.000 0.173 374 H C 0.076 175.394 175.328 -0.018 0.000 0.941 374 H CA 0.569 56.535 56.048 -0.136 0.000 1.224 374 H CB -1.511 28.091 29.762 -0.267 0.000 0.992 374 H HN 0.101 nan 8.280 nan 0.000 0.383 375 V N 3.045 123.004 119.914 0.076 0.000 2.572 375 V HA 0.074 4.208 4.120 0.024 0.000 0.291 375 V C 2.001 178.126 176.094 0.051 0.000 1.039 375 V CA 0.695 63.038 62.300 0.072 0.000 1.055 375 V CB 1.575 33.417 31.823 0.032 0.000 0.969 375 V HN 0.337 nan 8.190 nan 0.000 0.482 376 V N 1.757 121.727 119.914 0.093 0.000 3.650 376 V HA 0.624 4.759 4.120 0.024 0.000 0.271 376 V C 0.690 176.778 176.094 -0.011 0.000 1.281 376 V CA 0.942 63.294 62.300 0.088 0.000 1.120 376 V CB -0.170 31.756 31.823 0.172 0.000 0.856 376 V HN 0.945 nan 8.190 nan 0.000 0.443 377 G N -1.406 107.311 108.800 -0.138 0.000 2.646 377 G HA2 0.478 4.453 3.960 0.024 0.000 0.291 377 G HA3 0.478 4.453 3.960 0.024 0.000 0.291 377 G C -2.591 171.893 174.900 -0.694 0.000 1.445 377 G CA -0.652 44.168 45.100 -0.467 0.000 0.814 377 G HN 0.304 nan 8.290 nan 0.000 0.495 378 W N 0.886 121.662 121.300 -0.874 0.000 3.042 378 W HA 0.626 5.303 4.660 0.028 0.000 0.337 378 W C -0.817 175.450 176.519 -0.419 0.000 1.086 378 W CA -0.446 56.547 57.345 -0.587 0.000 1.236 378 W CB 2.496 31.772 29.460 -0.307 0.000 1.381 378 W HN 0.561 nan 8.180 nan 0.000 0.472 379 T N 4.418 118.675 114.554 -0.495 0.000 2.840 379 T HA 0.124 4.488 4.350 0.024 0.000 0.287 379 T C -0.718 173.736 174.700 -0.409 0.000 0.991 379 T CA -0.498 61.430 62.100 -0.287 0.000 0.964 379 T CB 1.368 70.145 68.868 -0.152 0.000 0.954 379 T HN 0.345 nan 8.240 nan 0.000 0.438 380 D N 1.089 121.416 120.400 -0.122 0.000 2.371 380 D HA 0.144 4.799 4.640 0.024 0.000 0.242 380 D C 0.377 176.727 176.300 0.084 0.000 1.218 380 D CA -0.481 53.514 54.000 -0.009 0.000 0.945 380 D CB 0.827 41.815 40.800 0.314 0.000 1.137 380 D HN 0.524 nan 8.370 nan 0.000 0.464 381 W N 1.059 122.276 121.300 -0.139 0.000 1.663 381 W HA 0.066 4.740 4.660 0.023 0.000 0.571 381 W C 0.379 176.841 176.519 -0.095 0.000 2.004 381 W CA -0.769 56.491 57.345 -0.141 0.000 2.260 381 W CB 0.078 29.425 29.460 -0.188 0.000 2.488 381 W HN 0.244 nan 8.180 nan 0.000 0.814 382 N N 2.642 120.992 118.700 -0.584 0.000 2.223 382 N HA -0.149 4.605 4.740 0.024 0.000 0.271 382 N C 0.874 176.278 175.510 -0.178 0.000 1.315 382 N CA 0.669 53.365 53.050 -0.589 0.000 0.835 382 N CB 0.614 38.574 38.487 -0.878 0.000 1.066 382 N HN 0.353 nan 8.380 nan 0.000 0.486 383 L N 1.141 122.314 121.223 -0.082 0.000 2.127 383 L HA -0.131 4.223 4.340 0.024 0.000 0.211 383 L C 1.029 178.000 176.870 0.168 0.000 1.089 383 L CA 1.015 55.876 54.840 0.035 0.000 0.757 383 L CB -0.139 41.929 42.059 0.015 0.000 0.899 383 L HN 0.616 nan 8.230 nan 0.000 0.434 384 A N -0.761 122.079 122.820 0.033 0.000 2.566 384 A HA 0.728 5.063 4.320 0.024 0.000 0.297 384 A C -1.156 176.402 177.584 -0.043 0.000 1.059 384 A CA -0.495 51.560 52.037 0.029 0.000 0.691 384 A CB 1.299 20.314 19.000 0.025 0.000 1.282 384 A HN -0.006 nan 8.150 nan 0.000 0.401 385 L N 1.218 122.426 121.223 -0.024 0.000 2.303 385 L HA 0.523 4.877 4.340 0.024 0.000 0.256 385 L C 0.044 176.916 176.870 0.003 0.000 1.034 385 L CA -1.266 53.564 54.840 -0.017 0.000 0.832 385 L CB 2.210 44.256 42.059 -0.022 0.000 1.403 385 L HN 0.970 nan 8.230 nan 0.000 0.419 386 N N -0.249 118.454 118.700 0.005 0.000 2.364 386 N HA 0.288 5.042 4.740 0.024 0.000 0.264 386 N C -2.381 173.105 175.510 -0.040 0.000 1.263 386 N CA -1.674 51.369 53.050 -0.011 0.000 0.959 386 N CB -0.229 38.246 38.487 -0.019 0.000 1.204 386 N HN 0.169 nan 8.380 nan 0.000 0.550 387 P HA -0.109 nan 4.420 nan 0.000 0.225 387 P C 0.696 177.917 177.300 -0.133 0.000 1.148 387 P CA 1.154 64.207 63.100 -0.078 0.000 0.779 387 P CB 0.135 31.805 31.700 -0.050 0.000 0.780 388 E N -0.425 119.655 120.200 -0.200 0.000 2.371 388 E HA 0.044 4.409 4.350 0.024 0.000 0.194 388 E C 0.938 177.273 176.600 -0.442 0.000 1.012 388 E CA 0.705 56.876 56.400 -0.382 0.000 0.860 388 E CB -0.453 28.913 29.700 -0.558 0.000 0.811 388 E HN 0.132 nan 8.360 nan 0.000 0.502 389 G N -0.150 108.533 108.800 -0.196 0.000 2.131 389 G HA2 -0.169 3.806 3.960 0.024 0.000 0.201 389 G HA3 -0.169 3.806 3.960 0.024 0.000 0.201 389 G C 0.174 175.258 174.900 0.306 0.000 1.000 389 G CA -0.013 45.120 45.100 0.055 0.000 0.680 389 G HN 0.606 nan 8.290 nan 0.000 0.514 390 G N -0.714 108.161 108.800 0.126 0.000 3.262 390 G HA2 0.872 4.847 3.960 0.024 0.000 0.229 390 G HA3 0.872 4.847 3.960 0.024 0.000 0.229 390 G C -2.821 172.200 174.900 0.201 0.000 1.280 390 G CA -0.689 44.613 45.100 0.336 0.000 0.951 390 G HN 0.195 nan 8.290 nan 0.000 0.589 391 P HA 0.115 nan 4.420 nan 0.000 0.269 391 P C -1.015 176.405 177.300 0.199 0.000 1.209 391 P CA -0.016 63.216 63.100 0.220 0.000 0.776 391 P CB 0.913 32.699 31.700 0.143 0.000 0.876 392 N N 2.462 121.241 118.700 0.130 0.000 2.519 392 N HA 0.050 4.805 4.740 0.024 0.000 0.291 392 N C 0.945 176.292 175.510 -0.273 0.000 1.107 392 N CA -0.623 52.223 53.050 -0.340 0.000 0.904 392 N CB 0.985 38.964 38.487 -0.848 0.000 1.500 392 N HN 0.535 nan 8.380 nan 0.000 0.510 393 W N 3.798 124.933 121.300 -0.275 0.000 2.468 393 W HA 0.081 4.755 4.660 0.024 0.000 0.262 393 W C -0.331 176.072 176.519 -0.193 0.000 1.241 393 W CA 0.255 57.499 57.345 -0.169 0.000 1.232 393 W CB -0.358 29.035 29.460 -0.112 0.000 1.124 393 W HN 0.251 nan 8.180 nan 0.000 0.597 394 V N 2.124 121.467 119.914 -0.952 0.000 3.427 394 V HA 0.193 4.327 4.120 0.024 0.000 0.305 394 V C 1.209 176.871 176.094 -0.719 0.000 1.412 394 V CA -0.057 61.678 62.300 -0.941 0.000 1.086 394 V CB -0.657 30.439 31.823 -1.211 0.000 0.964 394 V HN 0.134 nan 8.190 nan 0.000 0.439 395 R N 0.663 120.654 120.500 -0.848 0.000 3.758 395 R HA -0.223 4.132 4.340 0.024 0.000 0.299 395 R C 0.692 176.221 176.300 -1.286 0.000 1.182 395 R CA 1.036 56.319 56.100 -1.362 0.000 0.809 395 R CB -2.293 27.584 30.300 -0.706 0.000 1.249 395 R HN 0.626 nan 8.270 nan 0.000 0.497 396 N N 1.120 119.249 118.700 -0.953 0.000 3.259 396 N HA 0.040 4.794 4.740 0.024 0.000 0.308 396 N C -0.525 174.794 175.510 -0.318 0.000 1.334 396 N CA -0.192 52.539 53.050 -0.532 0.000 1.202 396 N CB 0.119 38.346 38.487 -0.434 0.000 1.485 396 N HN -0.002 nan 8.380 nan 0.000 0.549 397 F N 0.596 120.536 119.950 -0.017 0.000 2.450 397 F HA 0.183 4.724 4.527 0.024 0.000 0.339 397 F C 1.067 177.014 175.800 0.246 0.000 1.146 397 F CA -0.491 57.583 58.000 0.122 0.000 1.267 397 F CB 0.560 39.602 39.000 0.071 0.000 1.178 397 F HN -0.076 nan 8.300 nan 0.000 0.585 398 V N -1.998 118.232 119.914 0.526 0.000 3.181 398 V HA 0.572 4.707 4.120 0.024 0.000 0.307 398 V C -0.999 175.219 176.094 0.206 0.000 1.310 398 V CA -1.055 61.454 62.300 0.348 0.000 1.067 398 V CB 1.738 33.801 31.823 0.400 0.000 1.081 398 V HN 0.552 nan 8.190 nan 0.000 0.453 399 D N 0.219 120.700 120.400 0.135 0.000 2.387 399 D HA 0.700 5.354 4.640 0.024 0.000 0.251 399 D C -0.496 175.830 176.300 0.043 0.000 1.141 399 D CA 0.379 54.411 54.000 0.052 0.000 0.987 399 D CB 1.911 42.713 40.800 0.003 0.000 1.116 399 D HN 0.965 nan 8.370 nan 0.000 0.491 400 S N -0.256 115.449 115.700 0.008 0.000 2.541 400 S HA 0.456 4.940 4.470 0.024 0.000 0.271 400 S C -2.305 172.319 174.600 0.039 0.000 1.133 400 S CA -1.217 57.000 58.200 0.029 0.000 0.876 400 S CB 1.769 64.964 63.200 -0.009 0.000 1.105 400 S HN 0.088 nan 8.310 nan 0.000 0.470 401 P HA 0.157 nan 4.420 nan 0.000 0.220 401 P C -0.338 177.046 177.300 0.140 0.000 1.148 401 P CA 1.041 64.221 63.100 0.133 0.000 0.803 401 P CB 0.075 31.945 31.700 0.284 0.000 0.782 402 I N -0.139 120.514 120.570 0.138 0.000 2.436 402 I HA 0.250 4.435 4.170 0.024 0.000 0.289 402 I C -0.569 175.593 176.117 0.074 0.000 1.010 402 I CA -0.871 60.472 61.300 0.071 0.000 1.098 402 I CB 2.135 40.118 38.000 -0.028 0.000 1.266 402 I HN -0.285 nan 8.210 nan 0.000 0.434 403 I N 7.182 127.814 120.570 0.103 0.000 2.389 403 I HA 0.339 4.524 4.170 0.024 0.000 0.288 403 I C -0.077 176.096 176.117 0.093 0.000 0.999 403 I CA -0.721 60.635 61.300 0.095 0.000 1.129 403 I CB 1.812 39.875 38.000 0.105 0.000 1.288 403 I HN 0.114 nan 8.210 nan 0.000 0.444 404 V N 5.438 125.378 119.914 0.044 0.000 2.439 404 V HA 0.272 4.407 4.120 0.024 0.000 0.282 404 V C 0.001 176.099 176.094 0.007 0.000 1.039 404 V CA -0.442 61.868 62.300 0.017 0.000 0.913 404 V CB 1.813 33.637 31.823 0.001 0.000 0.983 404 V HN 0.606 nan 8.190 nan 0.000 0.460 405 D N 4.123 124.500 120.400 -0.038 0.000 2.472 405 D HA 0.373 5.027 4.640 0.024 0.000 0.234 405 D C 0.883 177.185 176.300 0.003 0.000 1.088 405 D CA -0.289 53.716 54.000 0.008 0.000 0.882 405 D CB 1.126 41.950 40.800 0.041 0.000 1.037 405 D HN 0.423 nan 8.370 nan 0.000 0.520 406 I N 1.541 122.120 120.570 0.015 0.000 2.286 406 I HA -0.247 3.938 4.170 0.024 0.000 0.248 406 I C 2.422 178.549 176.117 0.017 0.000 1.115 406 I CA 1.380 62.688 61.300 0.014 0.000 1.392 406 I CB -0.174 37.834 38.000 0.014 0.000 1.065 406 I HN 0.441 nan 8.210 nan 0.000 0.418 407 T N -1.276 113.292 114.554 0.024 0.000 2.881 407 T HA -0.155 4.209 4.350 0.024 0.000 0.270 407 T C 1.521 176.236 174.700 0.026 0.000 1.068 407 T CA 1.024 63.139 62.100 0.026 0.000 1.131 407 T CB -0.253 68.634 68.868 0.033 0.000 0.871 407 T HN 0.367 nan 8.240 nan 0.000 0.479 408 K N 0.689 121.103 120.400 0.025 0.000 2.373 408 K HA 0.158 4.492 4.320 0.024 0.000 0.202 408 K C 0.235 176.835 176.600 -0.001 0.000 1.025 408 K CA 0.239 56.537 56.287 0.019 0.000 1.115 408 K CB 0.221 32.743 32.500 0.036 0.000 0.858 408 K HN 0.178 nan 8.250 nan 0.000 0.525 409 D N 2.532 122.935 120.400 0.004 0.000 2.692 409 D HA -0.154 4.500 4.640 0.024 0.000 0.233 409 D C -0.807 175.493 176.300 -0.001 0.000 1.172 409 D CA 1.307 55.314 54.000 0.011 0.000 0.636 409 D CB -0.793 40.017 40.800 0.017 0.000 1.028 409 D HN 0.476 nan 8.370 nan 0.000 0.419 410 T N -1.959 112.564 114.554 -0.051 0.000 2.906 410 T HA 0.754 5.118 4.350 0.024 0.000 0.295 410 T C -0.226 174.352 174.700 -0.203 0.000 1.075 410 T CA -1.022 60.977 62.100 -0.168 0.000 1.005 410 T CB 1.675 70.376 68.868 -0.279 0.000 1.136 410 T HN 0.343 nan 8.240 nan 0.000 0.498 411 F N -0.827 118.873 119.950 -0.415 0.000 2.588 411 F HA 0.778 5.320 4.527 0.024 0.000 0.310 411 F C -1.820 173.696 175.800 -0.474 0.000 1.082 411 F CA -1.794 55.937 58.000 -0.448 0.000 0.929 411 F CB 1.269 40.127 39.000 -0.236 0.000 1.254 411 F HN 0.613 nan 8.300 nan 0.000 0.455 412 Y N 1.544 121.878 120.300 0.056 0.000 2.331 412 Y HA 0.456 5.021 4.550 0.024 0.000 0.338 412 Y C -0.275 175.625 175.900 0.000 0.000 0.976 412 Y CA -1.034 57.059 58.100 -0.013 0.000 1.137 412 Y CB 1.684 40.133 38.460 -0.018 0.000 1.172 412 Y HN 0.471 nan 8.280 nan 0.000 0.478 413 K N 4.374 124.822 120.400 0.080 0.000 2.310 413 K HA 0.153 4.487 4.320 0.024 0.000 0.290 413 K C -0.163 176.548 176.600 0.185 0.000 1.077 413 K CA -0.445 55.810 56.287 -0.054 0.000 0.922 413 K CB 0.551 32.811 32.500 -0.400 0.000 1.057 413 K HN 0.562 nan 8.250 nan 0.000 0.479 414 Q N 2.817 122.715 119.800 0.164 0.000 2.382 414 Q HA 0.058 4.412 4.340 0.024 0.000 0.229 414 Q C -1.670 174.539 176.000 0.349 0.000 1.006 414 Q CA -1.744 54.177 55.803 0.197 0.000 0.916 414 Q CB 0.299 29.080 28.738 0.071 0.000 1.235 414 Q HN 0.292 nan 8.270 nan 0.000 0.512 415 P HA -0.211 nan 4.420 nan 0.000 0.217 415 P C 1.277 178.729 177.300 0.253 0.000 1.151 415 P CA 1.726 65.062 63.100 0.393 0.000 0.849 415 P CB 0.066 31.889 31.700 0.206 0.000 0.787 416 M N -2.814 116.777 119.600 -0.016 0.000 2.106 416 M HA -0.217 4.278 4.480 0.024 0.000 0.259 416 M C 2.012 178.332 176.300 0.032 0.000 1.068 416 M CA 1.868 57.051 55.300 -0.195 0.000 1.100 416 M CB -0.903 31.359 32.600 -0.564 0.000 1.351 416 M HN -0.082 nan 8.290 nan 0.000 0.404 417 F N 0.100 120.012 119.950 -0.064 0.000 2.095 417 F HA -0.289 4.252 4.527 0.023 0.000 0.298 417 F C 1.859 177.532 175.800 -0.211 0.000 1.104 417 F CA 1.745 59.638 58.000 -0.177 0.000 1.232 417 F CB -0.437 38.304 39.000 -0.432 0.000 0.987 417 F HN 0.036 nan 8.300 nan 0.000 0.475 418 Y N -0.718 119.786 120.300 0.340 0.000 2.220 418 Y HA -0.206 4.360 4.550 0.027 0.000 0.291 418 Y C 2.825 178.866 175.900 0.237 0.000 1.129 418 Y CA 1.814 60.083 58.100 0.281 0.000 1.161 418 Y CB -1.037 37.659 38.460 0.393 0.000 0.997 418 Y HN 0.137 nan 8.280 nan 0.000 0.522 419 H N -0.325 118.896 119.070 0.251 0.000 2.352 419 H HA -0.166 4.404 4.556 0.025 0.000 0.299 419 H C 2.292 177.777 175.328 0.261 0.000 1.097 419 H CA 1.770 57.934 56.048 0.194 0.000 1.311 419 H CB -0.303 29.484 29.762 0.041 0.000 1.377 419 H HN 0.339 nan 8.280 nan 0.000 0.504 420 L N -0.134 121.255 121.223 0.276 0.000 2.017 420 L HA -0.114 4.240 4.340 0.024 0.000 0.208 420 L C 2.878 179.785 176.870 0.061 0.000 1.073 420 L CA 1.263 56.220 54.840 0.195 0.000 0.745 420 L CB -0.549 41.640 42.059 0.216 0.000 0.894 420 L HN 0.287 nan 8.230 nan 0.000 0.432 421 G N -2.037 106.680 108.800 -0.137 0.000 2.432 421 G HA2 -0.254 3.720 3.960 0.024 0.000 0.219 421 G HA3 -0.254 3.720 3.960 0.024 0.000 0.219 421 G C 1.361 176.077 174.900 -0.307 0.000 1.135 421 G CA 0.375 45.284 45.100 -0.320 0.000 0.767 421 G HN 0.433 nan 8.290 nan 0.000 0.550 422 H N -0.662 118.320 119.070 -0.146 0.000 2.489 422 H HA -0.058 4.512 4.556 0.023 0.000 0.295 422 H C 1.903 176.987 175.328 -0.408 0.000 1.082 422 H CA 1.293 57.227 56.048 -0.190 0.000 1.295 422 H CB 0.053 29.626 29.762 -0.315 0.000 1.380 422 H HN 0.500 nan 8.280 nan 0.000 0.548 423 F N -0.228 119.611 119.950 -0.184 0.000 2.390 423 F HA -0.067 4.476 4.527 0.027 0.000 0.281 423 F C 2.859 178.215 175.800 -0.740 0.000 1.016 423 F CA 0.662 58.381 58.000 -0.469 0.000 1.286 423 F CB -0.584 37.949 39.000 -0.778 0.000 1.134 423 F HN 0.004 nan 8.300 nan 0.000 0.597 424 S N 0.458 115.784 115.700 -0.623 0.000 2.399 424 S HA -0.248 4.237 4.470 0.024 0.000 0.231 424 S C 1.954 176.343 174.600 -0.352 0.000 1.022 424 S CA 1.455 59.364 58.200 -0.484 0.000 0.983 424 S CB -0.629 62.527 63.200 -0.073 0.000 0.803 424 S HN 0.380 nan 8.310 nan 0.000 0.480 425 K N 0.137 120.166 120.400 -0.619 0.000 2.217 425 K HA 0.099 4.433 4.320 0.024 0.000 0.202 425 K C 0.577 176.651 176.600 -0.876 0.000 1.051 425 K CA 1.023 56.748 56.287 -0.937 0.000 0.952 425 K CB -0.105 31.428 32.500 -1.612 0.000 0.736 425 K HN 0.582 nan 8.250 nan 0.000 0.453 426 F N -0.241 119.567 119.950 -0.237 0.000 2.706 426 F HA 0.320 4.863 4.527 0.027 0.000 0.313 426 F C 0.024 175.815 175.800 -0.015 0.000 1.096 426 F CA -0.614 57.310 58.000 -0.127 0.000 1.219 426 F CB 1.024 39.926 39.000 -0.163 0.000 1.051 426 F HN -0.189 nan 8.300 nan 0.000 0.568 427 I N 2.825 123.423 120.570 0.047 0.000 2.714 427 I HA 0.238 4.423 4.170 0.024 0.000 0.276 427 I C -2.560 173.594 176.117 0.062 0.000 1.196 427 I CA -1.912 59.441 61.300 0.089 0.000 1.068 427 I CB 0.970 39.124 38.000 0.258 0.000 1.291 427 I HN -0.235 nan 8.210 nan 0.000 0.530 428 P HA 0.054 nan 4.420 nan 0.000 0.272 428 P C -0.089 177.200 177.300 -0.018 0.000 1.230 428 P CA -0.181 62.877 63.100 -0.070 0.000 0.788 428 P CB 0.794 32.402 31.700 -0.153 0.000 0.949 429 E N 0.128 120.323 120.200 -0.008 0.000 2.568 429 E HA 0.124 4.489 4.350 0.024 0.000 0.262 429 E C 1.105 177.694 176.600 -0.019 0.000 0.961 429 E CA 1.230 57.614 56.400 -0.026 0.000 0.945 429 E CB -0.592 29.075 29.700 -0.056 0.000 0.924 429 E HN 0.779 nan 8.360 nan 0.000 0.467 430 G N 2.915 111.713 108.800 -0.004 0.000 2.254 430 G HA2 -0.264 3.711 3.960 0.024 0.000 0.225 430 G HA3 -0.264 3.711 3.960 0.024 0.000 0.225 430 G C 0.204 175.120 174.900 0.027 0.000 1.003 430 G CA 0.094 45.201 45.100 0.011 0.000 0.622 430 G HN 0.600 nan 8.290 nan 0.000 0.507 431 S N 0.551 116.268 115.700 0.029 0.000 2.560 431 S HA 0.446 4.930 4.470 0.024 0.000 0.284 431 S C 0.162 174.811 174.600 0.081 0.000 1.327 431 S CA 0.465 58.702 58.200 0.062 0.000 1.055 431 S CB 1.553 64.801 63.200 0.080 0.000 0.868 431 S HN 0.680 nan 8.310 nan 0.000 0.506 432 Q N 1.910 121.761 119.800 0.084 0.000 2.333 432 Q HA 0.324 4.678 4.340 0.024 0.000 0.267 432 Q C -0.534 175.531 176.000 0.108 0.000 1.012 432 Q CA -0.845 55.010 55.803 0.086 0.000 0.824 432 Q CB 0.919 29.690 28.738 0.054 0.000 1.290 432 Q HN 0.475 nan 8.270 nan 0.000 0.449 433 R N 2.215 122.805 120.500 0.149 0.000 2.590 433 R HA 0.255 4.609 4.340 0.024 0.000 0.274 433 R C -0.472 175.985 176.300 0.261 0.000 1.061 433 R CA 0.298 56.513 56.100 0.190 0.000 1.081 433 R CB 0.560 30.973 30.300 0.189 0.000 0.984 433 R HN 0.566 nan 8.270 nan 0.000 0.448 434 V N 0.139 120.192 119.914 0.232 0.000 3.158 434 V HA 0.756 4.891 4.120 0.024 0.000 0.311 434 V C 0.358 176.637 176.094 0.308 0.000 1.181 434 V CA -0.874 61.554 62.300 0.212 0.000 1.054 434 V CB 1.407 33.264 31.823 0.056 0.000 1.085 434 V HN 0.780 nan 8.190 nan 0.000 0.446 435 G N 0.047 109.021 108.800 0.291 0.000 2.544 435 G HA2 0.520 4.494 3.960 0.024 0.000 0.242 435 G HA3 0.520 4.494 3.960 0.024 0.000 0.242 435 G C -1.034 173.941 174.900 0.125 0.000 1.247 435 G CA -0.074 45.181 45.100 0.258 0.000 0.840 435 G HN 1.330 nan 8.290 nan 0.000 0.578 436 L N 2.022 123.294 121.223 0.083 0.000 2.680 436 L HA 0.366 4.721 4.340 0.024 0.000 0.260 436 L C -0.511 176.377 176.870 0.030 0.000 0.975 436 L CA -0.487 54.385 54.840 0.053 0.000 0.920 436 L CB 1.863 43.953 42.059 0.053 0.000 1.234 436 L HN 0.398 nan 8.230 nan 0.000 0.429 437 V N 2.637 122.568 119.914 0.028 0.000 2.439 437 V HA 0.872 5.007 4.120 0.024 0.000 0.282 437 V C 0.811 176.914 176.094 0.015 0.000 1.039 437 V CA -0.349 61.963 62.300 0.021 0.000 0.913 437 V CB 1.165 33.003 31.823 0.026 0.000 0.983 437 V HN 0.849 nan 8.190 nan 0.000 0.460 438 A N 3.207 126.034 122.820 0.012 0.000 2.331 438 A HA 0.547 4.881 4.320 0.024 0.000 0.283 438 A C 1.271 178.866 177.584 0.017 0.000 1.142 438 A CA 0.167 52.210 52.037 0.011 0.000 0.812 438 A CB 0.795 19.801 19.000 0.011 0.000 1.074 438 A HN 1.232 nan 8.150 nan 0.000 0.497 439 S N 1.229 116.941 115.700 0.020 0.000 2.453 439 S HA 0.027 4.512 4.470 0.024 0.000 0.231 439 S C 0.564 175.178 174.600 0.025 0.000 1.005 439 S CA 0.913 59.130 58.200 0.029 0.000 0.949 439 S CB -0.400 62.824 63.200 0.040 0.000 0.774 439 S HN 0.898 nan 8.310 nan 0.000 0.510 440 Q N 0.009 119.821 119.800 0.020 0.000 2.482 440 Q HA 0.479 4.833 4.340 0.024 0.000 0.286 440 Q C -1.320 174.690 176.000 0.017 0.000 1.007 440 Q CA -1.273 54.541 55.803 0.018 0.000 0.801 440 Q CB 1.211 29.960 28.738 0.018 0.000 1.455 440 Q HN 0.140 nan 8.270 nan 0.000 0.398 441 K N 1.387 121.797 120.400 0.017 0.000 2.489 441 K HA 0.099 4.434 4.320 0.024 0.000 0.278 441 K C -0.921 175.688 176.600 0.016 0.000 1.000 441 K CA 0.775 57.073 56.287 0.018 0.000 1.012 441 K CB 0.226 32.737 32.500 0.019 0.000 0.903 441 K HN 0.827 nan 8.250 nan 0.000 0.485 442 N N 0.879 119.590 118.700 0.018 0.000 2.927 442 N HA 0.166 4.920 4.740 0.024 0.000 0.248 442 N C -1.197 174.325 175.510 0.020 0.000 1.443 442 N CA -0.906 52.153 53.050 0.015 0.000 0.870 442 N CB 1.248 39.742 38.487 0.012 0.000 1.444 442 N HN 0.385 nan 8.380 nan 0.000 0.519 443 D N -0.155 120.254 120.400 0.015 0.000 2.342 443 D HA 0.190 4.844 4.640 0.024 0.000 0.221 443 D C -0.121 176.197 176.300 0.030 0.000 1.101 443 D CA 0.165 54.177 54.000 0.020 0.000 0.837 443 D CB 0.320 41.123 40.800 0.005 0.000 0.938 443 D HN 0.351 nan 8.370 nan 0.000 0.508 444 L N 1.040 122.282 121.223 0.032 0.000 2.375 444 L HA 0.241 4.596 4.340 0.024 0.000 0.271 444 L C 0.326 177.240 176.870 0.074 0.000 1.107 444 L CA -0.391 54.475 54.840 0.045 0.000 0.806 444 L CB 1.078 43.154 42.059 0.028 0.000 1.146 444 L HN -0.269 nan 8.230 nan 0.000 0.447 445 D N 2.165 122.629 120.400 0.106 0.000 2.256 445 D HA 0.609 5.263 4.640 0.024 0.000 0.240 445 D C -0.582 175.782 176.300 0.108 0.000 1.062 445 D CA -0.039 54.039 54.000 0.129 0.000 0.832 445 D CB 2.248 43.177 40.800 0.215 0.000 1.135 445 D HN 0.575 nan 8.370 nan 0.000 0.484 446 A N 1.596 124.465 122.820 0.083 0.000 2.515 446 A HA 0.706 5.040 4.320 0.024 0.000 0.298 446 A C -1.379 176.250 177.584 0.075 0.000 1.059 446 A CA -0.753 51.335 52.037 0.086 0.000 0.698 446 A CB 2.196 21.235 19.000 0.066 0.000 1.289 446 A HN 0.352 nan 8.150 nan 0.000 0.404 447 V N 0.315 120.291 119.914 0.102 0.000 2.932 447 V HA 0.828 4.963 4.120 0.024 0.000 0.307 447 V C -0.714 175.444 176.094 0.107 0.000 1.147 447 V CA 0.210 62.564 62.300 0.090 0.000 0.951 447 V CB 1.971 33.864 31.823 0.117 0.000 1.031 447 V HN 2.076 nan 8.190 nan 0.000 0.426 448 A N 6.101 128.975 122.820 0.090 0.000 2.355 448 A HA 0.998 5.332 4.320 0.024 0.000 0.317 448 A C -1.603 176.031 177.584 0.084 0.000 1.094 448 A CA -0.507 51.580 52.037 0.084 0.000 0.764 448 A CB 1.465 20.515 19.000 0.084 0.000 1.230 448 A HN 0.893 nan 8.150 nan 0.000 0.448 449 L N 1.047 122.304 121.223 0.057 0.000 2.415 449 L HA 0.654 5.009 4.340 0.024 0.000 0.256 449 L C -0.354 176.528 176.870 0.020 0.000 1.010 449 L CA -0.175 54.712 54.840 0.077 0.000 0.826 449 L CB 2.092 44.236 42.059 0.140 0.000 1.405 449 L HN 0.740 nan 8.230 nan 0.000 0.410 450 M N 0.607 120.231 119.600 0.040 0.000 2.294 450 M HA 0.433 4.928 4.480 0.024 0.000 0.335 450 M C -0.520 175.856 176.300 0.128 0.000 1.079 450 M CA -0.457 54.848 55.300 0.007 0.000 0.982 450 M CB 1.506 34.083 32.600 -0.038 0.000 1.651 450 M HN 0.519 nan 8.290 nan 0.000 0.437 451 H N 2.621 121.660 119.070 -0.053 0.000 2.836 451 H HA -0.004 4.567 4.556 0.025 0.000 0.368 451 H C -1.598 173.720 175.328 -0.017 0.000 1.164 451 H CA -1.212 54.830 56.048 -0.011 0.000 1.425 451 H CB 0.376 30.137 29.762 -0.001 0.000 1.414 451 H HN 0.444 nan 8.280 nan 0.000 0.614 452 P HA -0.218 nan 4.420 nan 0.000 0.216 452 P C 0.968 178.291 177.300 0.038 0.000 1.154 452 P CA 1.784 64.915 63.100 0.051 0.000 0.865 452 P CB 0.027 31.747 31.700 0.034 0.000 0.789 453 D N -1.899 118.534 120.400 0.054 0.000 2.392 453 D HA -0.000 4.654 4.640 0.024 0.000 0.228 453 D C 1.440 177.690 176.300 -0.084 0.000 1.003 453 D CA 1.061 55.053 54.000 -0.013 0.000 0.917 453 D CB -0.990 39.801 40.800 -0.016 0.000 0.890 453 D HN 0.301 nan 8.370 nan 0.000 0.532 454 G N -0.301 108.459 108.800 -0.066 0.000 2.213 454 G HA2 -0.275 3.699 3.960 0.024 0.000 0.236 454 G HA3 -0.275 3.699 3.960 0.024 0.000 0.236 454 G C 0.445 175.219 174.900 -0.210 0.000 0.991 454 G CA 0.359 45.389 45.100 -0.115 0.000 0.629 454 G HN 0.858 nan 8.290 nan 0.000 0.517 455 S N 0.197 115.711 115.700 -0.310 0.000 2.614 455 S HA 0.802 5.287 4.470 0.024 0.000 0.265 455 S C 0.399 174.676 174.600 -0.539 0.000 1.303 455 S CA 0.578 58.488 58.200 -0.484 0.000 1.000 455 S CB 2.010 64.827 63.200 -0.638 0.000 0.935 455 S HN 1.924 nan 8.310 nan 0.000 0.551 456 A N 0.466 122.821 122.820 -0.776 0.000 2.320 456 A HA 0.797 5.131 4.320 0.024 0.000 0.334 456 A C -0.551 176.511 177.584 -0.871 0.000 1.147 456 A CA -0.852 50.613 52.037 -0.953 0.000 0.820 456 A CB 1.334 19.366 19.000 -1.612 0.000 1.218 456 A HN 1.534 nan 8.150 nan 0.000 0.482 457 V N 2.362 121.964 119.914 -0.519 0.000 2.686 457 V HA 0.683 4.818 4.120 0.024 0.000 0.306 457 V C -1.509 174.544 176.094 -0.069 0.000 1.065 457 V CA -0.351 61.819 62.300 -0.216 0.000 0.894 457 V CB 1.923 33.760 31.823 0.023 0.000 1.004 457 V HN 0.837 nan 8.190 nan 0.000 0.424 458 V N 6.750 126.718 119.914 0.089 0.000 2.577 458 V HA 0.556 4.690 4.120 0.024 0.000 0.303 458 V C -0.467 175.748 176.094 0.202 0.000 1.042 458 V CA -0.549 61.865 62.300 0.191 0.000 0.872 458 V CB 2.089 34.097 31.823 0.309 0.000 0.998 458 V HN 0.735 nan 8.190 nan 0.000 0.423 459 V N 5.370 125.352 119.914 0.113 0.000 2.483 459 V HA 0.617 4.752 4.120 0.024 0.000 0.295 459 V C -0.319 175.833 176.094 0.097 0.000 1.035 459 V CA -0.604 61.708 62.300 0.021 0.000 0.896 459 V CB 1.935 33.607 31.823 -0.252 0.000 0.986 459 V HN 0.585 nan 8.190 nan 0.000 0.447 460 V N 5.743 125.717 119.914 0.100 0.000 2.483 460 V HA 0.489 4.623 4.120 0.024 0.000 0.297 460 V C -0.660 175.452 176.094 0.030 0.000 1.027 460 V CA -0.513 61.845 62.300 0.096 0.000 0.855 460 V CB 1.715 33.627 31.823 0.148 0.000 0.995 460 V HN 0.701 nan 8.190 nan 0.000 0.424 461 L N 4.644 125.908 121.223 0.068 0.000 2.322 461 L HA 0.708 5.063 4.340 0.024 0.000 0.281 461 L C -0.464 176.457 176.870 0.085 0.000 1.014 461 L CA 0.052 54.946 54.840 0.089 0.000 0.815 461 L CB 1.765 43.930 42.059 0.177 0.000 1.247 461 L HN 0.609 nan 8.230 nan 0.000 0.421 462 N N 3.604 122.354 118.700 0.083 0.000 2.564 462 N HA 0.358 5.112 4.740 0.024 0.000 0.248 462 N C 0.076 175.654 175.510 0.114 0.000 0.986 462 N CA -0.271 52.810 53.050 0.052 0.000 0.921 462 N CB 0.983 39.455 38.487 -0.025 0.000 1.136 462 N HN 0.692 nan 8.380 nan 0.000 0.509 463 R N 0.485 121.046 120.500 0.102 0.000 2.310 463 R HA 0.098 4.453 4.340 0.024 0.000 0.202 463 R C 0.533 176.862 176.300 0.047 0.000 0.933 463 R CA -0.007 56.193 56.100 0.167 0.000 1.054 463 R CB 0.158 30.530 30.300 0.119 0.000 0.985 463 R HN 0.558 nan 8.270 nan 0.000 0.489 464 S N -0.585 115.029 115.700 -0.143 0.000 2.672 464 S HA 0.098 4.582 4.470 0.024 0.000 0.276 464 S C 1.208 175.394 174.600 -0.690 0.000 1.207 464 S CA -0.488 57.556 58.200 -0.259 0.000 1.002 464 S CB 1.868 64.987 63.200 -0.136 0.000 0.998 464 S HN 0.139 nan 8.310 nan 0.000 0.542 465 S N 0.382 115.745 115.700 -0.561 0.000 2.515 465 S HA 0.095 4.579 4.470 0.024 0.000 0.231 465 S C 0.211 174.647 174.600 -0.273 0.000 0.987 465 S CA 0.039 57.912 58.200 -0.544 0.000 0.936 465 S CB -0.598 62.545 63.200 -0.095 0.000 0.766 465 S HN 0.717 nan 8.310 nan 0.000 0.528 466 K N 2.154 122.434 120.400 -0.201 0.000 2.183 466 K HA 0.367 4.702 4.320 0.024 0.000 0.274 466 K C -1.176 175.367 176.600 -0.095 0.000 1.009 466 K CA -0.700 55.523 56.287 -0.107 0.000 0.888 466 K CB 0.687 33.146 32.500 -0.068 0.000 1.078 466 K HN 0.094 nan 8.250 nan 0.000 0.459 467 D N 1.612 121.976 120.400 -0.060 0.000 2.455 467 D HA 0.042 4.697 4.640 0.024 0.000 0.241 467 D C -0.564 175.717 176.300 -0.031 0.000 1.138 467 D CA 0.122 54.099 54.000 -0.038 0.000 0.877 467 D CB 0.792 41.584 40.800 -0.013 0.000 1.187 467 D HN 0.015 nan 8.370 nan 0.000 0.451 468 V N 4.641 124.539 119.914 -0.028 0.000 2.376 468 V HA 0.287 4.421 4.120 0.024 0.000 0.287 468 V C -2.231 173.858 176.094 -0.009 0.000 1.015 468 V CA -1.715 60.574 62.300 -0.020 0.000 0.834 468 V CB 1.756 33.563 31.823 -0.026 0.000 1.001 468 V HN 0.404 nan 8.190 nan 0.000 0.428 469 P HA 0.417 nan 4.420 nan 0.000 0.271 469 P C -0.935 176.358 177.300 -0.012 0.000 1.218 469 P CA -0.203 62.899 63.100 0.004 0.000 0.780 469 P CB 0.904 32.611 31.700 0.011 0.000 0.901 470 L N 1.992 123.196 121.223 -0.032 0.000 2.513 470 L HA 0.559 4.913 4.340 0.024 0.000 0.261 470 L C -1.273 175.511 176.870 -0.144 0.000 0.945 470 L CA 0.059 54.854 54.840 -0.075 0.000 0.848 470 L CB 2.159 44.175 42.059 -0.071 0.000 1.334 470 L HN 0.236 nan 8.230 nan 0.000 0.407 471 T N 5.484 119.922 114.554 -0.193 0.000 2.841 471 T HA 0.669 5.034 4.350 0.024 0.000 0.283 471 T C -0.442 174.102 174.700 -0.260 0.000 1.000 471 T CA -0.191 61.737 62.100 -0.286 0.000 0.977 471 T CB 1.266 69.817 68.868 -0.529 0.000 0.979 471 T HN 0.456 nan 8.240 nan 0.000 0.446 472 I N 2.683 123.052 120.570 -0.334 0.000 2.362 472 I HA 0.425 4.610 4.170 0.024 0.000 0.289 472 I C 0.153 176.061 176.117 -0.348 0.000 0.994 472 I CA -0.823 60.282 61.300 -0.325 0.000 1.158 472 I CB 1.556 39.288 38.000 -0.447 0.000 1.315 472 I HN 0.332 nan 8.210 nan 0.000 0.451 473 K N 5.164 125.396 120.400 -0.281 0.000 2.213 473 K HA 0.280 4.615 4.320 0.024 0.000 0.270 473 K C -1.224 175.178 176.600 -0.330 0.000 1.002 473 K CA -0.452 55.549 56.287 -0.477 0.000 0.868 473 K CB 1.173 33.424 32.500 -0.415 0.000 1.093 473 K HN 0.497 nan 8.250 nan 0.000 0.454 474 D N 6.260 126.436 120.400 -0.373 0.000 2.471 474 D HA 0.225 4.879 4.640 0.024 0.000 0.245 474 D C -1.727 174.467 176.300 -0.176 0.000 1.116 474 D CA -2.438 51.490 54.000 -0.120 0.000 0.853 474 D CB 1.895 42.767 40.800 0.120 0.000 1.123 474 D HN 0.300 nan 8.370 nan 0.000 0.540 475 P HA -0.126 nan 4.420 nan 0.000 0.219 475 P C 1.053 178.319 177.300 -0.058 0.000 1.146 475 P CA 0.727 63.759 63.100 -0.112 0.000 0.808 475 P CB 0.245 31.910 31.700 -0.059 0.000 0.779 476 A N -0.177 122.637 122.820 -0.010 0.000 2.067 476 A HA -0.042 4.292 4.320 0.024 0.000 0.219 476 A C 2.090 179.688 177.584 0.024 0.000 1.158 476 A CA 2.217 54.267 52.037 0.022 0.000 0.661 476 A CB -0.927 18.108 19.000 0.058 0.000 0.801 476 A HN 0.267 nan 8.150 nan 0.000 0.452 477 V N -6.640 113.270 119.914 -0.007 0.000 3.294 477 V HA 0.625 4.759 4.120 0.024 0.000 0.255 477 V C 0.939 176.981 176.094 -0.087 0.000 1.528 477 V CA 0.799 63.091 62.300 -0.012 0.000 1.086 477 V CB -0.359 31.494 31.823 0.050 0.000 0.906 477 V HN 1.617 nan 8.190 nan 0.000 0.433 478 G N 0.820 109.487 108.800 -0.220 0.000 2.255 478 G HA2 0.129 4.103 3.960 0.024 0.000 0.216 478 G HA3 0.129 4.103 3.960 0.024 0.000 0.216 478 G C -1.315 173.254 174.900 -0.552 0.000 1.307 478 G CA -0.252 44.680 45.100 -0.281 0.000 1.162 478 G HN 0.444 nan 8.290 nan 0.000 0.494 479 F N 0.936 120.788 119.950 -0.164 0.000 2.495 479 F HA 0.728 5.268 4.527 0.023 0.000 0.327 479 F C 0.502 176.120 175.800 -0.304 0.000 1.103 479 F CA -0.828 57.029 58.000 -0.238 0.000 0.949 479 F CB 2.014 40.917 39.000 -0.162 0.000 1.142 479 F HN 0.353 nan 8.300 nan 0.000 0.457 480 L N 2.416 123.441 121.223 -0.330 0.000 2.280 480 L HA 0.527 4.881 4.340 0.024 0.000 0.287 480 L C -0.630 176.013 176.870 -0.378 0.000 1.023 480 L CA -0.749 53.785 54.840 -0.510 0.000 0.819 480 L CB 1.273 42.655 42.059 -1.128 0.000 1.212 480 L HN 0.513 nan 8.230 nan 0.000 0.420 481 E N 1.956 122.056 120.200 -0.166 0.000 2.167 481 E HA 0.515 4.879 4.350 0.024 0.000 0.284 481 E C -0.263 176.302 176.600 -0.058 0.000 1.016 481 E CA 0.175 56.520 56.400 -0.091 0.000 0.817 481 E CB 1.720 31.430 29.700 0.016 0.000 1.080 481 E HN 0.585 nan 8.360 nan 0.000 0.397 482 T N 2.422 116.928 114.554 -0.079 0.000 2.681 482 T HA 0.663 5.027 4.350 0.024 0.000 0.296 482 T C -1.419 173.317 174.700 0.059 0.000 1.157 482 T CA -0.596 61.521 62.100 0.028 0.000 1.025 482 T CB 0.607 69.474 68.868 -0.001 0.000 1.441 482 T HN 0.331 nan 8.240 nan 0.000 0.504 483 I N 1.671 122.328 120.570 0.146 0.000 2.619 483 I HA 0.404 4.588 4.170 0.024 0.000 0.292 483 I C -0.406 175.792 176.117 0.134 0.000 1.100 483 I CA -0.899 60.466 61.300 0.107 0.000 1.043 483 I CB 2.282 40.340 38.000 0.097 0.000 1.239 483 I HN 0.514 nan 8.210 nan 0.000 0.420 484 S N 7.413 123.119 115.700 0.011 0.000 2.464 484 S HA 0.421 4.906 4.470 0.024 0.000 0.313 484 S C -2.405 172.143 174.600 -0.088 0.000 1.078 484 S CA -1.486 56.635 58.200 -0.132 0.000 1.096 484 S CB 0.133 63.262 63.200 -0.119 0.000 1.032 484 S HN 0.222 nan 8.310 nan 0.000 0.498 485 P HA 0.155 nan 4.420 nan 0.000 0.269 485 P C 0.414 177.684 177.300 -0.050 0.000 1.209 485 P CA -0.046 63.044 63.100 -0.017 0.000 0.776 485 P CB 0.293 32.019 31.700 0.044 0.000 0.876 486 G N 1.817 110.568 108.800 -0.082 0.000 2.391 486 G HA2 -0.004 3.970 3.960 0.024 0.000 0.234 486 G HA3 -0.004 3.970 3.960 0.024 0.000 0.234 486 G C -0.593 174.249 174.900 -0.097 0.000 1.284 486 G CA -0.203 44.773 45.100 -0.206 0.000 0.873 486 G HN 0.602 nan 8.290 nan 0.000 0.549 487 Y N -0.239 120.123 120.300 0.103 0.000 3.078 487 Y HA -0.260 4.305 4.550 0.025 0.000 0.202 487 Y C 1.294 177.301 175.900 0.178 0.000 1.322 487 Y CA 0.482 58.704 58.100 0.203 0.000 1.118 487 Y CB -1.940 36.508 38.460 -0.020 0.000 1.343 487 Y HN 0.902 nan 8.280 nan 0.000 0.499 488 S N -0.202 115.691 115.700 0.320 0.000 2.667 488 S HA 0.904 5.388 4.470 0.024 0.000 0.292 488 S C -0.738 174.005 174.600 0.239 0.000 1.126 488 S CA -0.896 57.475 58.200 0.285 0.000 0.881 488 S CB 3.354 66.601 63.200 0.079 0.000 1.132 488 S HN 0.439 nan 8.310 nan 0.000 0.492 489 I N 0.651 121.293 120.570 0.121 0.000 2.607 489 I HA 0.517 4.701 4.170 0.024 0.000 0.290 489 I C -1.590 174.434 176.117 -0.155 0.000 1.129 489 I CA -0.522 60.681 61.300 -0.162 0.000 1.042 489 I CB 1.723 39.445 38.000 -0.464 0.000 1.242 489 I HN 0.912 nan 8.210 nan 0.000 0.421 490 H N 4.267 123.194 119.070 -0.239 0.000 2.572 490 H HA 0.483 5.046 4.556 0.012 0.000 0.359 490 H C -1.013 174.205 175.328 -0.184 0.000 1.134 490 H CA -0.994 54.931 56.048 -0.206 0.000 1.187 490 H CB 2.338 31.923 29.762 -0.295 0.000 1.597 490 H HN 0.409 nan 8.280 nan 0.000 0.524 491 T N 2.727 117.286 114.554 0.009 0.000 2.807 491 T HA 0.286 4.651 4.350 0.024 0.000 0.279 491 T C -1.002 173.517 174.700 -0.302 0.000 0.993 491 T CA -0.628 61.405 62.100 -0.111 0.000 0.970 491 T CB 0.531 69.291 68.868 -0.181 0.000 0.950 491 T HN 0.312 nan 8.240 nan 0.000 0.441 492 Y N 2.105 122.451 120.300 0.077 0.000 2.377 492 Y HA 0.691 5.249 4.550 0.014 0.000 0.339 492 Y C -0.231 175.787 175.900 0.197 0.000 1.011 492 Y CA -1.134 57.080 58.100 0.189 0.000 1.093 492 Y CB 1.345 39.951 38.460 0.243 0.000 1.201 492 Y HN 0.394 nan 8.280 nan 0.000 0.455 493 L N 3.324 124.794 121.223 0.412 0.000 2.408 493 L HA 0.606 4.961 4.340 0.024 0.000 0.268 493 L C -1.444 175.723 176.870 0.495 0.000 0.986 493 L CA -0.572 54.399 54.840 0.217 0.000 0.820 493 L CB 1.751 43.853 42.059 0.072 0.000 1.303 493 L HN 0.794 nan 8.230 nan 0.000 0.411 494 W N 0.657 122.044 121.300 0.145 0.000 3.363 494 W HA 0.560 5.237 4.660 0.028 0.000 0.306 494 W C -1.255 175.412 176.519 0.245 0.000 1.253 494 W CA -0.815 56.654 57.345 0.206 0.000 1.195 494 W CB 0.314 29.881 29.460 0.179 0.000 1.366 494 W HN 0.280 nan 8.180 nan 0.000 0.551 495 H N 1.831 121.039 119.070 0.229 0.000 2.629 495 H HA 0.390 4.961 4.556 0.024 0.000 0.357 495 H C 0.732 176.187 175.328 0.211 0.000 1.121 495 H CA -0.295 55.822 56.048 0.115 0.000 1.406 495 H CB 1.273 31.095 29.762 0.099 0.000 1.456 495 H HN 0.484 nan 8.280 nan 0.000 0.579 496 R N 1.797 122.379 120.500 0.136 0.000 2.586 496 R HA 0.128 4.483 4.340 0.024 0.000 0.336 496 R C 0.352 176.710 176.300 0.097 0.000 1.060 496 R CA -0.285 55.911 56.100 0.160 0.000 1.079 496 R CB 0.573 30.913 30.300 0.066 0.000 1.317 496 R HN 0.601 nan 8.270 nan 0.000 0.568 497 Q N 0.000 119.866 119.800 0.110 0.000 2.315 497 Q HA 0.000 4.355 4.340 0.024 0.000 0.214 497 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 497 Q CB 0.000 28.806 28.738 0.113 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481