REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3gxd_1_A 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 0.000 177.538 177.584 -0.076 0.000 1.274 1 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 1 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 2 R N 0.927 121.339 120.500 -0.146 0.000 2.562 2 R HA 0.581 4.918 4.340 -0.005 0.000 0.298 2 R C -2.792 173.430 176.300 -0.130 0.000 0.961 2 R CA -1.797 54.210 56.100 -0.156 0.000 0.881 2 R CB 1.999 32.081 30.300 -0.364 0.000 1.159 2 R HN 0.419 nan 8.270 nan 0.000 0.450 3 P HA 0.099 nan 4.420 nan 0.000 0.297 3 P C -0.333 177.026 177.300 0.098 0.000 1.303 3 P CA -0.599 62.511 63.100 0.016 0.000 0.753 3 P CB 0.603 32.324 31.700 0.036 0.000 1.281 4 c N 0.540 119.168 118.600 0.048 0.000 2.330 4 c HA 0.549 5.116 4.570 -0.005 0.000 0.344 4 c C 0.379 174.499 174.090 0.049 0.000 1.273 4 c CA -0.664 55.703 56.329 0.062 0.000 1.879 4 c CB -1.963 40.538 42.510 -0.016 0.000 2.376 4 c HN 0.334 nan 8.230 nan 0.000 0.534 5 I N 9.055 129.654 120.570 0.048 0.000 2.291 5 I HA 0.303 4.470 4.170 -0.005 0.000 0.292 5 I C -1.778 174.334 176.117 -0.009 0.000 1.064 5 I CA -1.333 59.934 61.300 -0.054 0.000 1.269 5 I CB 1.083 38.950 38.000 -0.222 0.000 1.418 5 I HN 0.591 nan 8.210 nan 0.000 0.485 6 P HA 0.271 nan 4.420 nan 0.000 0.285 6 P C -1.118 176.179 177.300 -0.004 0.000 1.259 6 P CA -0.751 62.356 63.100 0.013 0.000 0.794 6 P CB 1.235 32.933 31.700 -0.004 0.000 0.940 7 K N 1.319 121.734 120.400 0.025 0.000 2.482 7 K HA 0.493 4.810 4.320 -0.005 0.000 0.251 7 K C -0.879 175.694 176.600 -0.045 0.000 0.936 7 K CA -0.569 55.686 56.287 -0.054 0.000 0.791 7 K CB 1.564 34.036 32.500 -0.045 0.000 1.213 7 K HN 0.309 nan 8.250 nan 0.000 0.428 8 S N 3.309 118.913 115.700 -0.161 0.000 2.508 8 S HA 0.486 4.953 4.470 -0.005 0.000 0.284 8 S C -0.645 173.773 174.600 -0.304 0.000 1.192 8 S CA -0.542 57.597 58.200 -0.102 0.000 1.070 8 S CB 0.289 63.433 63.200 -0.093 0.000 1.004 8 S HN 0.547 nan 8.310 nan 0.000 0.493 9 F N 2.695 122.611 119.950 -0.057 0.000 2.855 9 F HA 0.383 4.907 4.527 -0.005 0.000 0.317 9 F C 1.540 177.177 175.800 -0.270 0.000 1.169 9 F CA -0.020 57.916 58.000 -0.106 0.000 1.299 9 F CB 0.549 39.530 39.000 -0.032 0.000 0.962 9 F HN 0.908 nan 8.300 nan 0.000 0.506 10 G N -0.268 108.451 108.800 -0.136 0.000 2.160 10 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.251 10 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.251 10 G C -0.215 174.426 174.900 -0.431 0.000 1.008 10 G CA -0.072 44.868 45.100 -0.267 0.000 0.724 10 G HN 0.426 nan 8.290 nan 0.000 0.514 11 Y N -0.522 119.829 120.300 0.085 0.000 2.631 11 Y HA 0.493 5.040 4.550 -0.005 0.000 0.328 11 Y C 1.903 177.838 175.900 0.059 0.000 1.118 11 Y CA -0.293 57.851 58.100 0.073 0.000 1.206 11 Y CB 1.178 39.687 38.460 0.082 0.000 1.337 11 Y HN 0.241 nan 8.280 nan 0.000 0.515 12 S N -1.064 114.787 115.700 0.252 0.000 2.528 12 S HA -0.022 4.445 4.470 -0.005 0.000 0.244 12 S C 0.508 175.161 174.600 0.088 0.000 0.982 12 S CA 1.003 59.271 58.200 0.112 0.000 0.953 12 S CB -0.202 63.040 63.200 0.070 0.000 0.754 12 S HN 0.475 nan 8.310 nan 0.000 0.529 13 S N -0.888 114.912 115.700 0.167 0.000 2.727 13 S HA 0.615 5.082 4.470 -0.005 0.000 0.278 13 S C -0.994 173.717 174.600 0.185 0.000 1.186 13 S CA -0.325 57.965 58.200 0.150 0.000 0.836 13 S CB 1.199 64.548 63.200 0.249 0.000 1.186 13 S HN 0.743 nan 8.310 nan 0.000 0.499 14 V N 1.012 121.027 119.914 0.169 0.000 2.716 14 V HA 0.920 5.037 4.120 -0.005 0.000 0.304 14 V C 0.401 176.630 176.094 0.224 0.000 1.053 14 V CA -0.516 61.881 62.300 0.162 0.000 0.984 14 V CB 0.904 32.780 31.823 0.089 0.000 1.021 14 V HN 0.857 nan 8.190 nan 0.000 0.467 15 V N 0.071 120.125 119.914 0.233 0.000 3.262 15 V HA 0.640 4.757 4.120 -0.005 0.000 0.313 15 V C 0.157 176.390 176.094 0.232 0.000 1.070 15 V CA -0.544 61.909 62.300 0.254 0.000 1.049 15 V CB 1.182 33.148 31.823 0.238 0.000 1.157 15 V HN 1.067 nan 8.190 nan 0.000 0.454 16 c N 1.510 120.262 118.600 0.254 0.000 2.322 16 c HA 0.690 5.257 4.570 -0.005 0.000 0.324 16 c C 0.173 174.338 174.090 0.124 0.000 1.284 16 c CA -0.623 55.813 56.329 0.178 0.000 1.606 16 c CB 0.317 42.951 42.510 0.206 0.000 2.251 16 c HN 0.756 nan 8.230 nan 0.000 0.502 17 V N 2.680 122.648 119.914 0.089 0.000 2.498 17 V HA 0.455 4.572 4.120 -0.005 0.000 0.279 17 V C 0.204 176.196 176.094 -0.170 0.000 1.048 17 V CA -0.163 62.152 62.300 0.025 0.000 0.967 17 V CB 0.749 32.615 31.823 0.073 0.000 0.988 17 V HN 1.040 nan 8.190 nan 0.000 0.473 18 c N 5.022 123.336 118.600 -0.477 0.000 2.797 18 c HA 0.790 5.357 4.570 -0.005 0.000 0.306 18 c C 0.043 173.752 174.090 -0.634 0.000 1.207 18 c CA -0.681 55.263 56.329 -0.642 0.000 1.507 18 c CB 1.619 43.313 42.510 -1.360 0.000 2.028 18 c HN 1.135 nan 8.230 nan 0.000 0.475 19 N N 0.755 119.284 118.700 -0.285 0.000 3.550 19 N HA 0.555 5.292 4.740 -0.005 0.000 0.345 19 N C 0.298 175.809 175.510 0.002 0.000 1.647 19 N CA -0.047 52.931 53.050 -0.121 0.000 0.737 19 N CB 0.159 38.600 38.487 -0.076 0.000 2.178 19 N HN 0.482 nan 8.380 nan 0.000 0.638 20 A N -1.389 121.446 122.820 0.025 0.000 2.119 20 A HA 0.084 4.401 4.320 -0.005 0.000 0.217 20 A C 1.311 178.920 177.584 0.043 0.000 1.153 20 A CA 2.145 54.209 52.037 0.046 0.000 0.692 20 A CB -1.126 17.894 19.000 0.033 0.000 0.799 20 A HN 0.847 nan 8.150 nan 0.000 0.458 21 T N -5.910 108.672 114.554 0.047 0.000 2.980 21 T HA 0.276 4.623 4.350 -0.005 0.000 0.252 21 T C 0.211 174.955 174.700 0.073 0.000 0.962 21 T CA -0.065 62.066 62.100 0.052 0.000 0.932 21 T CB -0.202 68.695 68.868 0.049 0.000 1.188 21 T HN 0.206 nan 8.240 nan 0.000 0.500 22 Y N 0.553 120.822 120.300 -0.052 0.000 2.446 22 Y HA 0.643 5.190 4.550 -0.005 0.000 0.338 22 Y C -0.994 174.848 175.900 -0.097 0.000 1.055 22 Y CA -1.399 56.661 58.100 -0.067 0.000 1.101 22 Y CB 1.967 40.380 38.460 -0.078 0.000 1.221 22 Y HN 0.404 nan 8.280 nan 0.000 0.460 23 c N 6.403 124.736 118.600 -0.445 0.000 3.181 23 c HA 0.231 4.798 4.570 -0.005 0.000 0.362 23 c C -1.498 172.347 174.090 -0.410 0.000 1.125 23 c CA -1.011 55.172 56.329 -0.243 0.000 1.265 23 c CB 0.437 42.881 42.510 -0.110 0.000 1.632 23 c HN 0.960 nan 8.230 nan 0.000 0.525 24 D N 3.237 123.522 120.400 -0.193 0.000 2.458 24 D HA 0.396 5.033 4.640 -0.005 0.000 0.243 24 D C -0.022 176.128 176.300 -0.250 0.000 1.146 24 D CA 0.525 54.408 54.000 -0.195 0.000 0.877 24 D CB 1.158 41.934 40.800 -0.040 0.000 1.176 24 D HN 0.836 nan 8.370 nan 0.000 0.461 25 S N 0.959 116.448 115.700 -0.352 0.000 2.752 25 S HA 0.689 5.156 4.470 -0.005 0.000 0.284 25 S C -1.033 173.245 174.600 -0.537 0.000 1.189 25 S CA -1.029 56.942 58.200 -0.383 0.000 0.835 25 S CB 0.958 64.070 63.200 -0.147 0.000 1.192 25 S HN 0.409 nan 8.310 nan 0.000 0.506 26 F N 0.818 120.778 119.950 0.016 0.000 2.556 26 F HA 0.519 5.043 4.527 -0.005 0.000 0.327 26 F C 0.384 176.189 175.800 0.009 0.000 1.059 26 F CA -0.850 57.168 58.000 0.029 0.000 0.953 26 F CB 0.954 39.966 39.000 0.020 0.000 1.227 26 F HN 0.460 nan 8.300 nan 0.000 0.478 27 D N 2.088 122.626 120.400 0.230 0.000 2.362 27 D HA 0.151 4.788 4.640 -0.005 0.000 0.242 27 D C -2.311 174.053 176.300 0.106 0.000 1.132 27 D CA -0.957 53.118 54.000 0.124 0.000 0.907 27 D CB 0.401 41.256 40.800 0.093 0.000 1.195 27 D HN 0.081 nan 8.370 nan 0.000 0.429 28 P HA -0.012 nan 4.420 nan 0.000 0.257 28 P C -2.335 174.938 177.300 -0.045 0.000 1.153 28 P CA -0.458 62.636 63.100 -0.010 0.000 0.762 28 P CB -0.560 31.132 31.700 -0.013 0.000 0.743 29 P HA 0.177 nan 4.420 nan 0.000 0.272 29 P C -0.625 176.502 177.300 -0.290 0.000 1.230 29 P CA 0.143 63.189 63.100 -0.090 0.000 0.788 29 P CB 0.560 32.216 31.700 -0.072 0.000 0.949 30 T N 1.675 116.110 114.554 -0.199 0.000 3.008 30 T HA 0.413 4.760 4.350 -0.005 0.000 0.328 30 T C -0.549 174.112 174.700 -0.064 0.000 1.020 30 T CA -0.444 61.519 62.100 -0.229 0.000 1.043 30 T CB -0.306 68.526 68.868 -0.060 0.000 1.010 30 T HN 0.104 nan 8.240 nan 0.000 0.466 31 F N 2.586 122.582 119.950 0.076 0.000 2.471 31 F HA 0.539 5.063 4.527 -0.005 0.000 0.365 31 F C -1.887 173.828 175.800 -0.141 0.000 1.095 31 F CA -3.861 54.163 58.000 0.041 0.000 1.174 31 F CB -0.778 38.367 39.000 0.242 0.000 1.105 31 F HN 0.190 nan 8.300 nan 0.000 0.535 32 P HA 0.380 nan 4.420 nan 0.000 0.281 32 P C -0.393 176.787 177.300 -0.200 0.000 1.249 32 P CA -0.483 62.580 63.100 -0.061 0.000 0.810 32 P CB 1.212 32.897 31.700 -0.024 0.000 1.008 33 A N 2.176 124.919 122.820 -0.129 0.000 2.655 33 A HA -0.088 4.229 4.320 -0.005 0.000 0.226 33 A C 0.410 177.974 177.584 -0.034 0.000 1.081 33 A CA -0.007 51.977 52.037 -0.089 0.000 0.802 33 A CB -0.699 18.279 19.000 -0.036 0.000 0.973 33 A HN 0.698 nan 8.150 nan 0.000 0.501 34 L N 1.683 122.922 121.223 0.026 0.000 2.485 34 L HA 0.471 4.808 4.340 -0.005 0.000 0.275 34 L C 1.387 178.299 176.870 0.070 0.000 1.207 34 L CA 1.900 56.800 54.840 0.100 0.000 0.855 34 L CB 0.581 42.705 42.059 0.108 0.000 1.114 34 L HN 1.795 nan 8.230 nan 0.000 0.485 35 G N 1.875 110.726 108.800 0.084 0.000 2.175 35 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.244 35 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.244 35 G C 0.315 175.238 174.900 0.039 0.000 0.982 35 G CA 0.129 45.256 45.100 0.046 0.000 0.641 35 G HN 0.823 nan 8.290 nan 0.000 0.527 36 T N 1.108 115.696 114.554 0.056 0.000 2.848 36 T HA 0.627 4.974 4.350 -0.005 0.000 0.285 36 T C -0.518 174.259 174.700 0.128 0.000 0.995 36 T CA -0.149 61.953 62.100 0.002 0.000 0.970 36 T CB 1.499 70.333 68.868 -0.057 0.000 0.976 36 T HN 0.889 nan 8.240 nan 0.000 0.441 37 F N 0.199 120.203 119.950 0.091 0.000 2.507 37 F HA 0.876 5.400 4.527 -0.005 0.000 0.327 37 F C -0.113 175.769 175.800 0.137 0.000 1.068 37 F CA -1.096 57.023 58.000 0.198 0.000 0.965 37 F CB 1.087 40.205 39.000 0.198 0.000 1.192 37 F HN 0.318 nan 8.300 nan 0.000 0.476 38 S N 2.778 118.688 115.700 0.351 0.000 2.525 38 S HA 0.579 5.046 4.470 -0.005 0.000 0.290 38 S C -0.730 174.031 174.600 0.268 0.000 1.152 38 S CA -0.830 57.456 58.200 0.143 0.000 1.072 38 S CB 1.142 64.382 63.200 0.068 0.000 1.027 38 S HN 0.737 nan 8.310 nan 0.000 0.500 39 R N 2.392 122.901 120.500 0.016 0.000 2.513 39 R HA 0.340 4.677 4.340 -0.005 0.000 0.301 39 R C -2.174 173.877 176.300 -0.414 0.000 0.968 39 R CA -0.481 55.493 56.100 -0.209 0.000 0.872 39 R CB 0.653 30.865 30.300 -0.147 0.000 1.177 39 R HN 0.660 nan 8.270 nan 0.000 0.444 40 Y N 1.686 121.789 120.300 -0.329 0.000 2.331 40 Y HA 0.374 4.921 4.550 -0.005 0.000 0.338 40 Y C 0.355 176.183 175.900 -0.120 0.000 0.992 40 Y CA -0.425 57.553 58.100 -0.204 0.000 1.121 40 Y CB 1.810 40.111 38.460 -0.266 0.000 1.184 40 Y HN 0.532 nan 8.280 nan 0.000 0.469 41 E N 1.778 122.027 120.200 0.083 0.000 2.238 41 E HA 0.712 5.059 4.350 -0.005 0.000 0.267 41 E C -1.410 175.351 176.600 0.268 0.000 0.887 41 E CA -0.573 55.887 56.400 0.100 0.000 0.769 41 E CB 1.291 30.924 29.700 -0.111 0.000 1.187 41 E HN 0.639 nan 8.360 nan 0.000 0.416 42 S N 1.421 117.333 115.700 0.354 0.000 2.569 42 S HA 0.687 5.154 4.470 -0.005 0.000 0.280 42 S C -1.117 173.698 174.600 0.358 0.000 1.111 42 S CA -0.834 57.584 58.200 0.363 0.000 0.887 42 S CB 1.912 65.417 63.200 0.508 0.000 1.095 42 S HN 0.664 nan 8.310 nan 0.000 0.476 43 T N -1.480 113.138 114.554 0.107 0.000 2.889 43 T HA 0.488 4.835 4.350 -0.005 0.000 0.315 43 T C 0.521 174.623 174.700 -0.997 0.000 1.291 43 T CA -0.929 60.988 62.100 -0.306 0.000 1.028 43 T CB 1.783 70.581 68.868 -0.117 0.000 1.235 43 T HN 0.423 nan 8.240 nan 0.000 0.491 44 R N 1.021 120.607 120.500 -1.525 0.000 2.091 44 R HA -0.113 4.224 4.340 -0.005 0.000 0.238 44 R C 2.326 178.286 176.300 -0.565 0.000 1.136 44 R CA 2.231 57.454 56.100 -1.461 0.000 0.959 44 R CB -0.772 28.814 30.300 -1.190 0.000 0.856 44 R HN 0.862 nan 8.270 nan 0.000 0.437 45 S N -1.627 113.854 115.700 -0.365 0.000 2.500 45 S HA -0.021 4.446 4.470 -0.005 0.000 0.239 45 S C 1.342 175.867 174.600 -0.125 0.000 0.989 45 S CA 1.094 59.185 58.200 -0.181 0.000 0.951 45 S CB 0.296 63.428 63.200 -0.113 0.000 0.759 45 S HN 0.586 nan 8.310 nan 0.000 0.523 46 G N 0.323 109.043 108.800 -0.133 0.000 2.613 46 G HA2 -0.081 3.876 3.960 -0.005 0.000 0.199 46 G HA3 -0.081 3.876 3.960 -0.005 0.000 0.199 46 G C -0.002 174.874 174.900 -0.040 0.000 0.991 46 G CA -0.763 44.301 45.100 -0.061 0.000 0.756 46 G HN 0.428 nan 8.290 nan 0.000 0.515 47 R N 0.776 121.254 120.500 -0.036 0.000 2.438 47 R HA 0.580 4.917 4.340 -0.005 0.000 0.287 47 R C -0.370 175.943 176.300 0.022 0.000 1.077 47 R CA -0.112 55.988 56.100 -0.000 0.000 1.034 47 R CB 0.529 30.843 30.300 0.024 0.000 0.993 47 R HN -0.015 nan 8.270 nan 0.000 0.459 48 R N 3.903 124.392 120.500 -0.017 0.000 2.545 48 R HA 0.191 4.528 4.340 -0.005 0.000 0.289 48 R C -0.116 176.199 176.300 0.025 0.000 1.327 48 R CA -0.487 55.538 56.100 -0.124 0.000 1.040 48 R CB 1.139 31.159 30.300 -0.467 0.000 1.176 48 R HN 0.790 nan 8.270 nan 0.000 0.518 49 M N 0.909 120.634 119.600 0.209 0.000 2.249 49 M HA -0.230 4.247 4.480 -0.005 0.000 0.198 49 M C -0.604 175.938 176.300 0.403 0.000 0.394 49 M CA 1.289 56.803 55.300 0.357 0.000 0.427 49 M CB -1.211 31.721 32.600 0.554 0.000 1.307 49 M HN 0.420 nan 8.290 nan 0.000 0.924 50 E N 1.118 121.447 120.200 0.215 0.000 2.259 50 E HA 0.397 4.744 4.350 -0.005 0.000 0.281 50 E C -0.252 176.345 176.600 -0.004 0.000 1.037 50 E CA -0.603 55.861 56.400 0.108 0.000 0.854 50 E CB 1.476 31.200 29.700 0.038 0.000 1.051 50 E HN 0.307 nan 8.360 nan 0.000 0.409 51 L N 3.045 124.215 121.223 -0.089 0.000 2.305 51 L HA 0.246 4.582 4.340 -0.005 0.000 0.281 51 L C -0.374 176.352 176.870 -0.240 0.000 1.085 51 L CA 0.269 54.883 54.840 -0.377 0.000 0.813 51 L CB 1.016 42.863 42.059 -0.353 0.000 1.157 51 L HN 0.536 nan 8.230 nan 0.000 0.436 52 S N 5.119 120.662 115.700 -0.262 0.000 2.595 52 S HA 0.804 5.271 4.470 -0.005 0.000 0.281 52 S C -0.704 173.774 174.600 -0.202 0.000 1.117 52 S CA -0.980 57.118 58.200 -0.170 0.000 0.873 52 S CB 1.445 64.586 63.200 -0.099 0.000 1.108 52 S HN 0.657 nan 8.310 nan 0.000 0.477 53 M N 1.209 120.671 119.600 -0.230 0.000 2.664 53 M HA 0.768 5.245 4.480 -0.005 0.000 0.314 53 M C 0.293 176.259 176.300 -0.557 0.000 1.200 53 M CA -0.458 54.608 55.300 -0.391 0.000 0.916 53 M CB 2.444 34.874 32.600 -0.283 0.000 1.717 53 M HN 1.078 nan 8.290 nan 0.000 0.470 54 G N 0.826 108.942 108.800 -1.139 0.000 2.682 54 G HA2 0.794 4.751 3.960 -0.005 0.000 0.303 54 G HA3 0.794 4.751 3.960 -0.005 0.000 0.303 54 G C -3.325 171.147 174.900 -0.713 0.000 1.341 54 G CA -0.839 43.720 45.100 -0.902 0.000 0.784 54 G HN 0.378 nan 8.290 nan 0.000 0.497 55 P HA 0.544 nan 4.420 nan 0.000 0.293 55 P C -0.733 176.695 177.300 0.213 0.000 1.291 55 P CA -0.571 62.538 63.100 0.014 0.000 0.867 55 P CB 2.134 33.847 31.700 0.023 0.000 1.074 56 I N 2.306 122.954 120.570 0.131 0.000 2.307 56 I HA 0.314 4.481 4.170 -0.005 0.000 0.289 56 I C 0.647 176.789 176.117 0.042 0.000 1.021 56 I CA -0.325 61.001 61.300 0.044 0.000 1.224 56 I CB 0.830 38.762 38.000 -0.113 0.000 1.376 56 I HN 0.285 nan 8.210 nan 0.000 0.470 57 Q N 3.509 123.357 119.800 0.080 0.000 2.306 57 Q HA 0.554 4.891 4.340 -0.005 0.000 0.265 57 Q C 0.593 176.684 176.000 0.151 0.000 1.022 57 Q CA -0.431 55.425 55.803 0.089 0.000 0.853 57 Q CB 2.299 31.080 28.738 0.072 0.000 1.327 57 Q HN 0.804 nan 8.270 nan 0.000 0.449 58 A N 3.329 126.221 122.820 0.121 0.000 2.119 58 A HA 0.012 4.329 4.320 -0.005 0.000 0.216 58 A C 0.186 177.867 177.584 0.161 0.000 1.152 58 A CA 0.718 52.854 52.037 0.165 0.000 0.708 58 A CB -0.185 18.872 19.000 0.096 0.000 0.805 58 A HN 0.794 nan 8.150 nan 0.000 0.460 59 N N -1.281 117.449 118.700 0.051 0.000 2.472 59 N HA 0.373 5.110 4.740 -0.005 0.000 0.289 59 N C -0.631 174.750 175.510 -0.215 0.000 1.156 59 N CA -0.445 52.559 53.050 -0.077 0.000 0.940 59 N CB 0.709 39.161 38.487 -0.059 0.000 1.200 59 N HN 0.428 nan 8.380 nan 0.000 0.511 60 H N 0.458 119.191 119.070 -0.563 0.000 2.632 60 H HA 0.132 4.685 4.556 -0.005 0.000 0.258 60 H C 0.291 175.396 175.328 -0.371 0.000 1.278 60 H CA -0.609 54.973 56.048 -0.777 0.000 1.352 60 H CB 0.444 29.339 29.762 -1.445 0.000 1.418 60 H HN 0.759 nan 8.280 nan 0.000 0.513 61 T N 0.667 115.159 114.554 -0.104 0.000 3.035 61 T HA 0.023 4.370 4.350 -0.005 0.000 0.268 61 T C 1.359 175.968 174.700 -0.152 0.000 1.109 61 T CA 0.288 62.308 62.100 -0.134 0.000 1.119 61 T CB -0.065 68.767 68.868 -0.060 0.000 0.900 61 T HN 0.545 nan 8.240 nan 0.000 0.503 62 G N 1.343 110.152 108.800 0.015 0.000 2.484 62 G HA2 0.368 4.325 3.960 -0.005 0.000 0.235 62 G HA3 0.368 4.325 3.960 -0.005 0.000 0.235 62 G C 0.669 175.487 174.900 -0.137 0.000 1.282 62 G CA 0.247 45.387 45.100 0.067 0.000 0.857 62 G HN 0.498 nan 8.290 nan 0.000 0.571 63 T N -0.905 113.622 114.554 -0.044 0.000 3.209 63 T HA 0.454 4.801 4.350 -0.005 0.000 0.295 63 T C 0.963 175.662 174.700 -0.002 0.000 0.977 63 T CA 0.477 62.537 62.100 -0.066 0.000 0.922 63 T CB 0.432 69.248 68.868 -0.086 0.000 1.152 63 T HN 0.812 nan 8.240 nan 0.000 0.527 64 G N 1.532 110.354 108.800 0.036 0.000 2.782 64 G HA2 0.604 4.561 3.960 -0.005 0.000 0.201 64 G HA3 0.604 4.561 3.960 -0.005 0.000 0.201 64 G C -0.533 174.396 174.900 0.049 0.000 1.374 64 G CA -1.089 44.030 45.100 0.032 0.000 1.039 64 G HN 0.372 nan 8.290 nan 0.000 0.576 65 L N -0.125 121.119 121.223 0.034 0.000 2.615 65 L HA 0.233 4.570 4.340 -0.005 0.000 0.284 65 L C -0.268 176.628 176.870 0.043 0.000 1.237 65 L CA 0.091 54.951 54.840 0.033 0.000 0.905 65 L CB 0.338 42.407 42.059 0.016 0.000 1.149 65 L HN 0.314 nan 8.230 nan 0.000 0.499 66 L N 6.370 127.621 121.223 0.046 0.000 2.341 66 L HA 0.601 4.938 4.340 -0.005 0.000 0.278 66 L C -1.227 175.643 176.870 0.001 0.000 1.005 66 L CA -0.197 54.661 54.840 0.029 0.000 0.818 66 L CB 1.423 43.529 42.059 0.078 0.000 1.259 66 L HN 0.510 nan 8.230 nan 0.000 0.418 67 L N 4.603 125.805 121.223 -0.035 0.000 2.356 67 L HA 0.602 4.939 4.340 -0.005 0.000 0.277 67 L C -0.482 176.355 176.870 -0.055 0.000 0.996 67 L CA -0.444 54.377 54.840 -0.031 0.000 0.822 67 L CB 1.969 44.011 42.059 -0.030 0.000 1.256 67 L HN 0.541 nan 8.230 nan 0.000 0.413 68 T N 3.736 118.272 114.554 -0.029 0.000 2.791 68 T HA 0.366 4.713 4.350 -0.005 0.000 0.288 68 T C -0.236 174.465 174.700 0.002 0.000 0.999 68 T CA -0.471 61.601 62.100 -0.046 0.000 0.952 68 T CB 1.437 70.282 68.868 -0.039 0.000 0.938 68 T HN 0.236 nan 8.240 nan 0.000 0.444 69 L N 3.615 124.853 121.223 0.026 0.000 2.514 69 L HA 0.143 4.480 4.340 -0.005 0.000 0.280 69 L C 0.154 177.050 176.870 0.044 0.000 1.223 69 L CA 0.991 55.878 54.840 0.078 0.000 0.864 69 L CB 0.292 42.450 42.059 0.166 0.000 1.118 69 L HN 0.537 nan 8.230 nan 0.000 0.494 70 Q N 5.867 125.697 119.800 0.051 0.000 3.244 70 Q HA 0.261 4.597 4.340 -0.005 0.000 0.249 70 Q C -2.001 174.012 176.000 0.021 0.000 0.951 70 Q CA -1.410 54.412 55.803 0.031 0.000 0.740 70 Q CB 1.273 30.035 28.738 0.039 0.000 1.334 70 Q HN 0.490 nan 8.270 nan 0.000 0.448 71 P HA -0.123 nan 4.420 nan 0.000 0.225 71 P C 0.986 178.267 177.300 -0.031 0.000 1.148 71 P CA 0.944 64.044 63.100 -0.001 0.000 0.779 71 P CB 0.619 32.322 31.700 0.004 0.000 0.780 72 E N -0.338 119.841 120.200 -0.034 0.000 2.208 72 E HA -0.059 4.288 4.350 -0.005 0.000 0.193 72 E C 0.745 177.282 176.600 -0.105 0.000 0.988 72 E CA 0.654 57.022 56.400 -0.054 0.000 0.828 72 E CB -0.369 29.311 29.700 -0.035 0.000 0.763 72 E HN 0.490 nan 8.360 nan 0.000 0.478 73 Q N 1.359 121.079 119.800 -0.133 0.000 2.323 73 Q HA 0.180 4.516 4.340 -0.005 0.000 0.257 73 Q C -0.462 175.221 176.000 -0.529 0.000 1.022 73 Q CA 0.408 56.033 55.803 -0.296 0.000 0.919 73 Q CB 0.645 29.270 28.738 -0.188 0.000 1.220 73 Q HN -0.081 nan 8.270 nan 0.000 0.427 74 K N 2.529 122.559 120.400 -0.618 0.000 2.316 74 K HA 0.518 4.835 4.320 -0.005 0.000 0.251 74 K C -0.841 175.359 176.600 -0.668 0.000 0.934 74 K CA -0.362 55.626 56.287 -0.499 0.000 0.802 74 K CB 1.428 33.814 32.500 -0.191 0.000 1.171 74 K HN 0.316 nan 8.250 nan 0.000 0.426 75 F N 0.062 120.041 119.950 0.048 0.000 3.188 75 F HA 0.189 4.713 4.527 -0.005 0.000 0.198 75 F C 0.627 176.468 175.800 0.069 0.000 1.589 75 F CA -0.825 57.213 58.000 0.064 0.000 0.914 75 F CB -0.044 38.976 39.000 0.034 0.000 1.928 75 F HN 0.372 nan 8.300 nan 0.000 0.334 76 Q N 2.388 122.382 119.800 0.324 0.000 2.368 76 Q HA 0.279 4.616 4.340 -0.005 0.000 0.237 76 Q C -1.292 174.803 176.000 0.158 0.000 0.987 76 Q CA -0.188 55.732 55.803 0.195 0.000 0.896 76 Q CB 1.254 30.084 28.738 0.154 0.000 1.241 76 Q HN 0.486 nan 8.270 nan 0.000 0.485 77 K N 0.855 121.329 120.400 0.124 0.000 2.098 77 K HA 0.472 4.789 4.320 -0.005 0.000 0.261 77 K C -0.800 175.862 176.600 0.103 0.000 0.987 77 K CA -0.837 55.514 56.287 0.106 0.000 0.916 77 K CB 1.790 34.341 32.500 0.085 0.000 1.039 77 K HN 0.412 nan 8.250 nan 0.000 0.455 78 V N 3.337 123.311 119.914 0.100 0.000 2.370 78 V HA 0.049 4.166 4.120 -0.005 0.000 0.279 78 V C 1.008 177.132 176.094 0.049 0.000 1.029 78 V CA -0.280 62.082 62.300 0.104 0.000 0.870 78 V CB 1.252 33.178 31.823 0.171 0.000 0.984 78 V HN 0.731 nan 8.190 nan 0.000 0.451 79 K N 4.228 124.637 120.400 0.014 0.000 2.031 79 K HA 0.290 4.607 4.320 -0.005 0.000 0.205 79 K C 0.803 177.342 176.600 -0.101 0.000 1.049 79 K CA 1.648 57.888 56.287 -0.078 0.000 0.939 79 K CB -0.173 32.276 32.500 -0.086 0.000 0.717 79 K HN 0.993 nan 8.250 nan 0.000 0.438 80 G N -2.326 106.424 108.800 -0.083 0.000 2.334 80 G HA2 0.200 4.157 3.960 -0.005 0.000 0.249 80 G HA3 0.200 4.157 3.960 -0.005 0.000 0.249 80 G C -1.457 173.257 174.900 -0.309 0.000 1.327 80 G CA -0.713 44.360 45.100 -0.045 0.000 0.979 80 G HN 0.035 nan 8.290 nan 0.000 0.471 81 F N 0.007 119.933 119.950 -0.040 0.000 2.601 81 F HA 0.792 5.316 4.527 -0.005 0.000 0.309 81 F C 0.731 176.215 175.800 -0.526 0.000 1.089 81 F CA 0.603 58.489 58.000 -0.190 0.000 0.940 81 F CB 2.444 41.338 39.000 -0.176 0.000 1.273 81 F HN 1.361 nan 8.300 nan 0.000 0.450 82 G N 0.127 108.551 108.800 -0.627 0.000 2.348 82 G HA2 0.574 4.531 3.960 -0.005 0.000 0.296 82 G HA3 0.574 4.531 3.960 -0.005 0.000 0.296 82 G C -1.413 173.140 174.900 -0.578 0.000 1.258 82 G CA -0.022 44.465 45.100 -1.021 0.000 0.868 82 G HN 1.092 nan 8.290 nan 0.000 0.488 83 G N -1.686 106.982 108.800 -0.221 0.000 2.650 83 G HA2 0.800 4.757 3.960 -0.005 0.000 0.295 83 G HA3 0.800 4.757 3.960 -0.005 0.000 0.295 83 G C -0.963 173.994 174.900 0.095 0.000 1.397 83 G CA 0.490 45.581 45.100 -0.015 0.000 0.781 83 G HN 1.786 nan 8.290 nan 0.000 0.486 84 A N -0.236 122.679 122.820 0.158 0.000 2.290 84 A HA 0.622 4.938 4.320 -0.005 0.000 0.310 84 A C 0.073 177.719 177.584 0.103 0.000 1.202 84 A CA -0.562 51.607 52.037 0.220 0.000 0.837 84 A CB 1.129 20.426 19.000 0.495 0.000 1.139 84 A HN 0.712 nan 8.150 nan 0.000 0.509 85 M N 3.825 123.505 119.600 0.133 0.000 3.690 85 M HA 0.154 4.631 4.480 -0.005 0.000 0.209 85 M C 0.823 177.162 176.300 0.066 0.000 1.403 85 M CA -0.048 55.306 55.300 0.091 0.000 1.621 85 M CB -1.112 31.560 32.600 0.120 0.000 1.056 85 M HN 0.789 nan 8.290 nan 0.000 0.593 86 T N -2.156 112.373 114.554 -0.040 0.000 2.734 86 T HA 0.106 4.453 4.350 -0.005 0.000 0.314 86 T C 0.908 175.588 174.700 -0.034 0.000 1.057 86 T CA -0.454 61.584 62.100 -0.103 0.000 1.047 86 T CB 0.584 69.235 68.868 -0.363 0.000 0.991 86 T HN 0.440 nan 8.240 nan 0.000 0.540 87 D N 0.971 121.368 120.400 -0.005 0.000 2.104 87 D HA -0.101 4.536 4.640 -0.005 0.000 0.194 87 D C 2.431 178.742 176.300 0.018 0.000 0.994 87 D CA 1.811 55.833 54.000 0.036 0.000 0.830 87 D CB -0.975 39.872 40.800 0.079 0.000 0.959 87 D HN 0.743 nan 8.370 nan 0.000 0.452 88 A N 1.012 123.843 122.820 0.018 0.000 1.917 88 A HA -0.144 4.173 4.320 -0.005 0.000 0.219 88 A C 2.305 179.880 177.584 -0.015 0.000 1.182 88 A CA 2.671 54.729 52.037 0.035 0.000 0.633 88 A CB -0.722 18.368 19.000 0.150 0.000 0.819 88 A HN 0.274 nan 8.150 nan 0.000 0.448 89 A N -0.641 122.138 122.820 -0.069 0.000 1.930 89 A HA 0.327 4.644 4.320 -0.005 0.000 0.215 89 A C 2.468 180.042 177.584 -0.017 0.000 1.176 89 A CA 1.609 53.612 52.037 -0.058 0.000 0.632 89 A CB -0.895 18.052 19.000 -0.088 0.000 0.819 89 A HN 1.044 nan 8.150 nan 0.000 0.445 90 A N 0.059 122.877 122.820 -0.003 0.000 1.908 90 A HA -0.075 4.242 4.320 -0.005 0.000 0.218 90 A C 2.158 179.745 177.584 0.005 0.000 1.181 90 A CA 1.541 53.584 52.037 0.010 0.000 0.627 90 A CB -0.587 18.428 19.000 0.024 0.000 0.818 90 A HN 0.474 nan 8.150 nan 0.000 0.445 91 L N -0.484 120.742 121.223 0.006 0.000 2.005 91 L HA -0.195 4.142 4.340 -0.005 0.000 0.207 91 L C 2.422 179.292 176.870 0.001 0.000 1.072 91 L CA 1.320 56.164 54.840 0.006 0.000 0.744 91 L CB -0.736 41.331 42.059 0.013 0.000 0.895 91 L HN 0.370 nan 8.230 nan 0.000 0.433 92 N N 0.432 119.131 118.700 -0.002 0.000 2.094 92 N HA -0.185 4.552 4.740 -0.005 0.000 0.191 92 N C 1.883 177.379 175.510 -0.023 0.000 1.023 92 N CA 1.539 54.586 53.050 -0.006 0.000 0.857 92 N CB -0.259 38.224 38.487 -0.008 0.000 1.013 92 N HN 0.346 nan 8.380 nan 0.000 0.426 93 I N 0.895 121.446 120.570 -0.031 0.000 2.142 93 I HA -0.207 3.960 4.170 -0.005 0.000 0.240 93 I C 1.817 177.914 176.117 -0.033 0.000 1.078 93 I CA 0.899 62.168 61.300 -0.052 0.000 1.343 93 I CB -0.225 37.754 38.000 -0.035 0.000 1.046 93 I HN 0.029 nan 8.210 nan 0.000 0.405 94 L N 0.664 121.879 121.223 -0.015 0.000 2.622 94 L HA 0.006 4.343 4.340 -0.005 0.000 0.233 94 L C 1.958 178.826 176.870 -0.003 0.000 1.156 94 L CA 0.036 54.872 54.840 -0.007 0.000 0.866 94 L CB -0.286 41.772 42.059 -0.002 0.000 0.980 94 L HN 0.205 nan 8.230 nan 0.000 0.448 95 A N -0.500 122.319 122.820 -0.002 0.000 2.379 95 A HA 0.348 4.665 4.320 -0.005 0.000 0.236 95 A C 0.610 178.199 177.584 0.008 0.000 1.272 95 A CA -0.209 51.831 52.037 0.005 0.000 0.886 95 A CB 0.007 19.012 19.000 0.008 0.000 0.962 95 A HN 0.230 nan 8.150 nan 0.000 0.504 96 L N 0.751 121.977 121.223 0.005 0.000 2.375 96 L HA 0.366 4.703 4.340 -0.005 0.000 0.268 96 L C 0.856 177.736 176.870 0.017 0.000 1.058 96 L CA -0.711 54.140 54.840 0.018 0.000 0.803 96 L CB 1.718 43.790 42.059 0.021 0.000 1.212 96 L HN 0.325 nan 8.230 nan 0.000 0.451 97 S N 0.681 116.396 115.700 0.025 0.000 2.576 97 S HA 0.186 4.653 4.470 -0.005 0.000 0.276 97 S C -1.966 172.647 174.600 0.021 0.000 1.339 97 S CA -1.008 57.204 58.200 0.020 0.000 1.039 97 S CB 1.005 64.218 63.200 0.021 0.000 0.902 97 S HN 0.395 nan 8.310 nan 0.000 0.516 98 P HA -0.131 nan 4.420 nan 0.000 0.217 98 P C -1.457 175.854 177.300 0.020 0.000 1.162 98 P CA 1.745 64.853 63.100 0.013 0.000 0.901 98 P CB -1.233 30.473 31.700 0.010 0.000 0.793 99 P HA -0.165 nan 4.420 nan 0.000 0.216 99 P C 1.325 178.654 177.300 0.048 0.000 1.150 99 P CA 2.109 65.227 63.100 0.030 0.000 0.843 99 P CB -0.663 31.054 31.700 0.027 0.000 0.787 100 A N -0.667 122.191 122.820 0.063 0.000 1.968 100 A HA -0.201 4.116 4.320 -0.005 0.000 0.217 100 A C 2.279 179.905 177.584 0.070 0.000 1.169 100 A CA 1.191 53.301 52.037 0.122 0.000 0.638 100 A CB -1.215 17.878 19.000 0.155 0.000 0.812 100 A HN 0.129 nan 8.150 nan 0.000 0.446 101 Q N 0.123 119.930 119.800 0.011 0.000 2.062 101 Q HA -0.228 4.109 4.340 -0.005 0.000 0.209 101 Q C 1.667 177.651 176.000 -0.026 0.000 0.996 101 Q CA 1.935 57.718 55.803 -0.033 0.000 0.859 101 Q CB -0.245 28.485 28.738 -0.013 0.000 0.920 101 Q HN 0.681 nan 8.270 nan 0.000 0.415 102 N N 0.034 118.740 118.700 0.010 0.000 2.331 102 N HA -0.072 4.665 4.740 -0.005 0.000 0.180 102 N C 1.667 177.196 175.510 0.032 0.000 1.019 102 N CA 0.816 53.878 53.050 0.021 0.000 0.881 102 N CB 0.035 38.536 38.487 0.024 0.000 0.972 102 N HN 0.266 nan 8.380 nan 0.000 0.435 103 L N 0.487 121.740 121.223 0.050 0.000 2.395 103 L HA 0.033 4.370 4.340 -0.005 0.000 0.218 103 L C 2.266 179.169 176.870 0.055 0.000 1.130 103 L CA 0.255 55.147 54.840 0.087 0.000 0.826 103 L CB -0.185 41.964 42.059 0.150 0.000 0.941 103 L HN 0.089 nan 8.230 nan 0.000 0.451 104 L N -0.450 120.687 121.223 -0.143 0.000 2.068 104 L HA -0.135 4.202 4.340 -0.005 0.000 0.204 104 L C 2.384 179.161 176.870 -0.154 0.000 1.076 104 L CA 1.203 55.742 54.840 -0.501 0.000 0.753 104 L CB 0.001 41.567 42.059 -0.821 0.000 0.910 104 L HN 0.115 nan 8.230 nan 0.000 0.439 105 L N -0.221 121.010 121.223 0.013 0.000 1.994 105 L HA -0.250 4.087 4.340 -0.005 0.000 0.208 105 L C 2.662 179.679 176.870 0.245 0.000 1.071 105 L CA 1.567 56.539 54.840 0.221 0.000 0.745 105 L CB -0.727 41.419 42.059 0.145 0.000 0.892 105 L HN 0.177 nan 8.230 nan 0.000 0.431 106 K N -0.421 120.059 120.400 0.132 0.000 2.089 106 K HA -0.229 4.088 4.320 -0.005 0.000 0.210 106 K C 2.401 179.058 176.600 0.095 0.000 1.048 106 K CA 1.763 58.120 56.287 0.117 0.000 0.926 106 K CB -0.346 32.196 32.500 0.071 0.000 0.714 106 K HN 0.138 nan 8.250 nan 0.000 0.448 107 S N -0.209 115.511 115.700 0.034 0.000 2.374 107 S HA -0.163 4.304 4.470 -0.005 0.000 0.227 107 S C 1.768 176.386 174.600 0.030 0.000 1.037 107 S CA 1.320 59.517 58.200 -0.004 0.000 1.024 107 S CB -0.161 62.912 63.200 -0.212 0.000 0.861 107 S HN 0.343 nan 8.310 nan 0.000 0.456 108 Y N -1.329 118.926 120.300 -0.076 0.000 2.262 108 Y HA 0.104 4.652 4.550 -0.005 0.000 0.295 108 Y C 1.748 177.265 175.900 -0.638 0.000 1.121 108 Y CA 0.750 58.497 58.100 -0.589 0.000 1.144 108 Y CB -0.017 37.949 38.460 -0.823 0.000 1.043 108 Y HN 0.244 nan 8.280 nan 0.000 0.528 109 F N -1.254 118.769 119.950 0.122 0.000 2.656 109 F HA 0.103 4.627 4.527 -0.005 0.000 0.291 109 F C 1.536 177.372 175.800 0.061 0.000 1.122 109 F CA -0.093 57.969 58.000 0.104 0.000 1.427 109 F CB -0.263 38.802 39.000 0.107 0.000 1.125 109 F HN -0.245 nan 8.300 nan 0.000 0.583 110 S N 1.178 117.001 115.700 0.205 0.000 2.580 110 S HA -0.057 4.410 4.470 -0.005 0.000 0.266 110 S C 1.436 176.069 174.600 0.054 0.000 1.354 110 S CA -0.136 58.135 58.200 0.118 0.000 1.008 110 S CB 0.581 63.841 63.200 0.100 0.000 0.898 110 S HN 0.528 nan 8.310 nan 0.000 0.555 111 E N 1.071 121.289 120.200 0.030 0.000 2.474 111 E HA 0.006 4.353 4.350 -0.005 0.000 0.194 111 E C 0.785 177.376 176.600 -0.014 0.000 1.041 111 E CA 0.437 56.819 56.400 -0.031 0.000 0.874 111 E CB -0.146 29.535 29.700 -0.033 0.000 0.914 111 E HN 0.834 nan 8.360 nan 0.000 0.498 112 E N 1.085 121.322 120.200 0.062 0.000 2.481 112 E HA 0.120 4.466 4.350 -0.005 0.000 0.195 112 E C 1.019 177.773 176.600 0.257 0.000 1.047 112 E CA 0.481 56.973 56.400 0.154 0.000 0.867 112 E CB 0.565 30.323 29.700 0.097 0.000 0.858 112 E HN 0.355 nan 8.360 nan 0.000 0.513 113 G N 1.302 110.191 108.800 0.149 0.000 3.075 113 G HA2 0.291 4.248 3.960 -0.005 0.000 0.156 113 G HA3 0.291 4.248 3.960 -0.005 0.000 0.156 113 G C 0.689 175.585 174.900 -0.007 0.000 1.403 113 G CA -0.429 44.764 45.100 0.155 0.000 1.033 113 G HN 0.242 nan 8.290 nan 0.000 0.589 114 I N -2.421 118.055 120.570 -0.158 0.000 3.927 114 I HA 0.469 4.636 4.170 -0.005 0.000 0.332 114 I C 1.058 177.012 176.117 -0.271 0.000 1.485 114 I CA 0.316 61.406 61.300 -0.350 0.000 1.131 114 I CB 0.238 37.923 38.000 -0.525 0.000 1.092 114 I HN 0.779 nan 8.210 nan 0.000 0.410 115 G N 1.669 110.368 108.800 -0.168 0.000 2.323 115 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.292 115 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.292 115 G C 0.002 174.946 174.900 0.073 0.000 1.040 115 G CA 0.001 45.060 45.100 -0.069 0.000 0.942 115 G HN 0.678 nan 8.290 nan 0.000 0.506 116 Y N 0.061 120.236 120.300 -0.209 0.000 2.788 116 Y HA 0.034 4.581 4.550 -0.005 0.000 0.341 116 Y C 1.678 177.590 175.900 0.020 0.000 1.258 116 Y CA 0.611 58.589 58.100 -0.202 0.000 1.503 116 Y CB 0.526 38.588 38.460 -0.664 0.000 1.325 116 Y HN 0.522 nan 8.280 nan 0.000 0.614 117 N N 1.864 120.663 118.700 0.166 0.000 2.142 117 N HA 0.167 4.904 4.740 -0.005 0.000 0.233 117 N C -1.014 174.546 175.510 0.083 0.000 1.335 117 N CA 0.106 53.245 53.050 0.148 0.000 0.837 117 N CB 0.160 38.696 38.487 0.081 0.000 1.238 117 N HN 0.484 nan 8.380 nan 0.000 0.501 118 I N 1.339 121.953 120.570 0.072 0.000 2.619 118 I HA 0.488 4.655 4.170 -0.005 0.000 0.292 118 I C -0.910 175.287 176.117 0.132 0.000 1.100 118 I CA -0.821 60.520 61.300 0.068 0.000 1.043 118 I CB 2.477 40.504 38.000 0.044 0.000 1.239 118 I HN -0.142 nan 8.210 nan 0.000 0.420 119 I N 5.269 125.941 120.570 0.169 0.000 2.466 119 I HA 0.473 4.640 4.170 -0.005 0.000 0.289 119 I C -0.270 175.968 176.117 0.202 0.000 1.026 119 I CA -0.650 60.766 61.300 0.193 0.000 1.078 119 I CB 2.015 40.124 38.000 0.181 0.000 1.249 119 I HN 0.514 nan 8.210 nan 0.000 0.429 120 R N 4.984 125.617 120.500 0.222 0.000 2.428 120 R HA 0.762 5.099 4.340 -0.005 0.000 0.294 120 R C -1.497 174.980 176.300 0.296 0.000 1.000 120 R CA -0.440 55.821 56.100 0.268 0.000 0.960 120 R CB 1.657 32.113 30.300 0.261 0.000 1.076 120 R HN 0.486 nan 8.270 nan 0.000 0.475 121 V N 6.303 126.416 119.914 0.332 0.000 2.498 121 V HA 0.268 4.385 4.120 -0.005 0.000 0.283 121 V C -2.362 173.914 176.094 0.302 0.000 1.015 121 V CA -1.725 60.775 62.300 0.334 0.000 0.867 121 V CB 1.641 33.729 31.823 0.441 0.000 1.025 121 V HN 0.820 nan 8.190 nan 0.000 0.441 122 P HA 0.274 nan 4.420 nan 0.000 0.269 122 P C -0.282 177.141 177.300 0.205 0.000 1.215 122 P CA -0.094 63.178 63.100 0.287 0.000 0.780 122 P CB 0.492 32.185 31.700 -0.013 0.000 0.898 123 M N 2.497 122.165 119.600 0.113 0.000 2.589 123 M HA 0.474 4.951 4.480 -0.005 0.000 0.340 123 M C 0.452 176.768 176.300 0.027 0.000 1.308 123 M CA 0.134 55.486 55.300 0.088 0.000 1.332 123 M CB -0.576 31.824 32.600 -0.333 0.000 1.219 123 M HN 0.591 nan 8.290 nan 0.000 0.467 124 A N 1.149 123.887 122.820 -0.136 0.000 6.058 124 A HA -0.135 4.182 4.320 -0.005 0.000 0.237 124 A C 0.225 177.490 177.584 -0.532 0.000 2.308 124 A CA 0.071 51.745 52.037 -0.605 0.000 0.701 124 A CB -1.661 16.739 19.000 -0.999 0.000 0.931 124 A HN 0.841 nan 8.150 nan 0.000 0.347 125 S N -0.273 114.839 115.700 -0.979 0.000 2.585 125 S HA 0.573 5.040 4.470 -0.005 0.000 0.273 125 S C 0.680 175.015 174.600 -0.442 0.000 1.339 125 S CA 0.124 57.870 58.200 -0.757 0.000 1.028 125 S CB 0.462 63.102 63.200 -0.933 0.000 0.906 125 S HN 2.455 nan 8.310 nan 0.000 0.528 126 C N 0.523 119.556 119.300 -0.444 0.000 3.459 126 C HA 0.634 5.091 4.460 -0.005 0.000 0.358 126 C C 1.500 176.443 174.990 -0.077 0.000 2.992 126 C CA 0.011 58.722 59.018 -0.510 0.000 1.568 126 C CB 0.200 27.036 27.740 -1.506 0.000 3.388 126 C HN 0.836 nan 8.230 nan 0.000 0.515 127 D N 0.901 121.231 120.400 -0.116 0.000 2.144 127 D HA -0.123 4.514 4.640 -0.005 0.000 0.200 127 D C 0.995 177.115 176.300 -0.301 0.000 0.978 127 D CA 1.258 55.108 54.000 -0.251 0.000 0.833 127 D CB -0.633 39.660 40.800 -0.845 0.000 0.961 127 D HN 0.566 nan 8.370 nan 0.000 0.470 128 F N 1.379 121.208 119.950 -0.203 0.000 2.726 128 F HA 0.186 4.710 4.527 -0.005 0.000 0.296 128 F C 0.908 176.629 175.800 -0.130 0.000 1.250 128 F CA -0.002 57.859 58.000 -0.231 0.000 1.434 128 F CB -0.323 38.387 39.000 -0.484 0.000 1.043 128 F HN -0.245 nan 8.300 nan 0.000 0.508 129 S N 0.175 115.900 115.700 0.041 0.000 2.747 129 S HA 0.456 4.923 4.470 -0.005 0.000 0.300 129 S C 1.413 176.075 174.600 0.104 0.000 1.121 129 S CA -0.710 57.529 58.200 0.066 0.000 0.995 129 S CB 1.391 64.598 63.200 0.013 0.000 1.113 129 S HN 0.357 nan 8.310 nan 0.000 0.547 130 I N -0.978 119.633 120.570 0.069 0.000 3.603 130 I HA 0.364 4.531 4.170 -0.005 0.000 0.297 130 I C 0.527 176.636 176.117 -0.013 0.000 1.269 130 I CA 0.055 61.390 61.300 0.058 0.000 1.361 130 I CB -0.052 37.970 38.000 0.037 0.000 1.063 130 I HN 0.483 nan 8.210 nan 0.000 0.448 131 R N 1.047 121.475 120.500 -0.121 0.000 2.712 131 R HA 0.413 4.749 4.340 -0.005 0.000 0.272 131 R C -0.867 175.208 176.300 -0.376 0.000 1.032 131 R CA -0.327 55.609 56.100 -0.273 0.000 0.874 131 R CB 0.749 30.993 30.300 -0.093 0.000 1.256 131 R HN 0.090 nan 8.270 nan 0.000 0.468 132 T N -0.740 113.508 114.554 -0.510 0.000 2.918 132 T HA 0.674 5.021 4.350 -0.005 0.000 0.283 132 T C -0.512 174.121 174.700 -0.111 0.000 1.001 132 T CA -0.293 61.526 62.100 -0.468 0.000 1.041 132 T CB 0.673 69.212 68.868 -0.547 0.000 1.028 132 T HN 0.772 nan 8.240 nan 0.000 0.511 133 Y N -2.030 118.143 120.300 -0.211 0.000 2.673 133 Y HA 0.511 5.059 4.550 -0.005 0.000 0.357 133 Y C -0.598 175.202 175.900 -0.167 0.000 1.211 133 Y CA -0.906 57.102 58.100 -0.153 0.000 1.307 133 Y CB 0.104 38.484 38.460 -0.133 0.000 1.384 133 Y HN 1.057 nan 8.280 nan 0.000 0.499 134 T N -2.038 112.518 114.554 0.003 0.000 2.804 134 T HA 0.472 4.819 4.350 -0.005 0.000 0.272 134 T C -0.360 174.382 174.700 0.070 0.000 0.986 134 T CA -0.565 61.501 62.100 -0.056 0.000 0.999 134 T CB 1.221 70.106 68.868 0.028 0.000 1.307 134 T HN 0.789 nan 8.240 nan 0.000 0.586 135 Y N -0.200 120.199 120.300 0.165 0.000 2.466 135 Y HA 0.522 5.069 4.550 -0.005 0.000 0.272 135 Y C 1.392 177.079 175.900 -0.354 0.000 1.169 135 Y CA -0.356 57.559 58.100 -0.309 0.000 1.285 135 Y CB 0.543 38.412 38.460 -0.984 0.000 1.078 135 Y HN 0.793 nan 8.280 nan 0.000 0.523 136 A N -0.259 122.699 122.820 0.230 0.000 3.158 136 A HA 0.254 4.571 4.320 -0.005 0.000 0.302 136 A C -0.408 177.453 177.584 0.461 0.000 1.162 136 A CA -0.458 51.787 52.037 0.347 0.000 0.824 136 A CB -0.110 19.220 19.000 0.551 0.000 1.322 136 A HN 0.118 nan 8.150 nan 0.000 0.510 137 D N 0.628 121.218 120.400 0.318 0.000 2.333 137 D HA 0.012 4.649 4.640 -0.005 0.000 0.208 137 D C 0.498 176.967 176.300 0.282 0.000 0.984 137 D CA 1.102 55.292 54.000 0.316 0.000 0.873 137 D CB 0.361 41.263 40.800 0.170 0.000 0.935 137 D HN 0.498 nan 8.370 nan 0.000 0.521 138 T N 4.173 118.822 114.554 0.158 0.000 2.761 138 T HA 0.151 4.498 4.350 -0.005 0.000 0.287 138 T C -2.226 172.228 174.700 -0.410 0.000 0.931 138 T CA -1.210 60.859 62.100 -0.052 0.000 1.164 138 T CB 1.128 69.983 68.868 -0.021 0.000 0.876 138 T HN 0.073 nan 8.240 nan 0.000 0.534 139 P HA 0.140 nan 4.420 nan 0.000 0.270 139 P C -0.288 176.223 177.300 -1.315 0.000 1.223 139 P CA -0.111 62.073 63.100 -1.526 0.000 0.785 139 P CB 0.309 31.603 31.700 -0.677 0.000 0.923 140 D N -0.958 118.398 120.400 -1.740 0.000 2.699 140 D HA -0.173 4.464 4.640 -0.005 0.000 0.239 140 D C -0.203 175.710 176.300 -0.644 0.000 1.136 140 D CA 1.139 54.570 54.000 -0.949 0.000 0.668 140 D CB -2.137 38.491 40.800 -0.286 0.000 1.060 140 D HN 0.453 nan 8.370 nan 0.000 0.429 141 D N -1.018 118.902 120.400 -0.800 0.000 3.008 141 D HA 0.188 4.825 4.640 -0.005 0.000 0.312 141 D C 0.849 177.223 176.300 0.122 0.000 1.361 141 D CA -0.591 53.319 54.000 -0.150 0.000 0.858 141 D CB -0.581 40.212 40.800 -0.013 0.000 1.098 141 D HN 0.172 nan 8.370 nan 0.000 0.482 142 F N 0.200 120.289 119.950 0.232 0.000 2.481 142 F HA -0.125 4.399 4.527 -0.005 0.000 0.297 142 F C 2.193 178.098 175.800 0.174 0.000 1.095 142 F CA 0.858 59.026 58.000 0.280 0.000 1.465 142 F CB 0.250 39.346 39.000 0.161 0.000 1.098 142 F HN 0.178 nan 8.300 nan 0.000 0.585 143 Q N -0.340 119.583 119.800 0.205 0.000 2.319 143 Q HA 0.214 4.551 4.340 -0.005 0.000 0.209 143 Q C 0.805 176.737 176.000 -0.114 0.000 0.884 143 Q CA 0.070 55.855 55.803 -0.031 0.000 0.938 143 Q CB 0.312 28.901 28.738 -0.248 0.000 1.098 143 Q HN 0.434 nan 8.270 nan 0.000 0.517 144 L N 1.406 122.692 121.223 0.105 0.000 3.746 144 L HA -0.290 4.047 4.340 -0.005 0.000 0.542 144 L C 0.522 177.465 176.870 0.123 0.000 1.268 144 L CA 0.140 55.117 54.840 0.228 0.000 0.818 144 L CB -1.826 40.430 42.059 0.329 0.000 1.472 144 L HN 0.378 nan 8.230 nan 0.000 0.843 145 H N -0.889 118.305 119.070 0.206 0.000 2.512 145 H HA 0.071 4.624 4.556 -0.005 0.000 0.279 145 H C 1.637 177.066 175.328 0.168 0.000 0.999 145 H CA 0.805 56.948 56.048 0.157 0.000 1.283 145 H CB 0.332 30.160 29.762 0.110 0.000 1.421 145 H HN 0.428 nan 8.280 nan 0.000 0.554 146 N N 0.430 119.301 118.700 0.286 0.000 2.276 146 N HA -0.015 4.722 4.740 -0.005 0.000 0.212 146 N C -0.691 174.971 175.510 0.255 0.000 1.127 146 N CA -0.127 53.056 53.050 0.222 0.000 0.834 146 N CB -0.119 38.457 38.487 0.149 0.000 1.014 146 N HN 0.189 nan 8.380 nan 0.000 0.491 147 F N 2.355 122.402 119.950 0.163 0.000 2.571 147 F HA 0.080 4.604 4.527 -0.005 0.000 0.384 147 F C 0.715 176.570 175.800 0.092 0.000 1.058 147 F CA -0.045 58.039 58.000 0.141 0.000 1.200 147 F CB 0.342 39.394 39.000 0.085 0.000 1.077 147 F HN -0.030 nan 8.300 nan 0.000 0.558 148 S N 5.901 121.534 115.700 -0.112 0.000 2.625 148 S HA 0.598 5.064 4.470 -0.005 0.000 0.271 148 S C -1.317 173.197 174.600 -0.144 0.000 1.161 148 S CA -1.249 56.941 58.200 -0.018 0.000 0.820 148 S CB 1.317 64.554 63.200 0.060 0.000 1.137 148 S HN 0.624 nan 8.310 nan 0.000 0.470 149 L N 2.441 123.622 121.223 -0.069 0.000 2.276 149 L HA 0.484 4.821 4.340 -0.005 0.000 0.286 149 L C -1.728 175.152 176.870 0.017 0.000 1.061 149 L CA -1.786 53.024 54.840 -0.050 0.000 0.807 149 L CB 0.890 42.867 42.059 -0.136 0.000 1.177 149 L HN 0.621 nan 8.230 nan 0.000 0.429 150 P HA 0.088 nan 4.420 nan 0.000 0.293 150 P C 0.334 177.594 177.300 -0.066 0.000 1.298 150 P CA -0.388 62.671 63.100 -0.068 0.000 0.757 150 P CB 0.933 32.475 31.700 -0.263 0.000 1.262 151 E N -0.417 119.722 120.200 -0.101 0.000 2.150 151 E HA -0.188 4.159 4.350 -0.005 0.000 0.193 151 E C 1.725 178.291 176.600 -0.056 0.000 0.985 151 E CA 1.134 57.492 56.400 -0.070 0.000 0.814 151 E CB -0.062 29.593 29.700 -0.073 0.000 0.752 151 E HN 0.440 nan 8.360 nan 0.000 0.466 152 E N 0.678 120.828 120.200 -0.083 0.000 2.171 152 E HA -0.188 4.158 4.350 -0.005 0.000 0.197 152 E C 1.532 178.171 176.600 0.065 0.000 0.997 152 E CA 1.277 57.675 56.400 -0.003 0.000 0.810 152 E CB 0.085 29.802 29.700 0.027 0.000 0.738 152 E HN 0.271 nan 8.360 nan 0.000 0.467 153 D N -1.055 119.387 120.400 0.070 0.000 2.232 153 D HA -0.051 4.585 4.640 -0.005 0.000 0.220 153 D C 2.089 178.324 176.300 -0.107 0.000 0.982 153 D CA 1.855 55.882 54.000 0.045 0.000 0.892 153 D CB -0.180 40.675 40.800 0.092 0.000 1.040 153 D HN 0.283 nan 8.370 nan 0.000 0.463 154 T N -0.751 113.729 114.554 -0.123 0.000 2.951 154 T HA 0.001 4.347 4.350 -0.005 0.000 0.268 154 T C 1.767 176.446 174.700 -0.035 0.000 1.073 154 T CA 0.748 62.775 62.100 -0.121 0.000 1.134 154 T CB 0.166 69.018 68.868 -0.026 0.000 0.884 154 T HN -0.048 nan 8.240 nan 0.000 0.479 155 K N 0.124 120.509 120.400 -0.026 0.000 2.276 155 K HA 0.334 4.651 4.320 -0.005 0.000 0.198 155 K C 1.940 178.538 176.600 -0.003 0.000 1.052 155 K CA 0.367 56.649 56.287 -0.008 0.000 0.984 155 K CB 0.181 32.674 32.500 -0.011 0.000 0.836 155 K HN 0.383 nan 8.250 nan 0.000 0.490 156 L N -0.470 120.752 121.223 -0.002 0.000 2.488 156 L HA 0.129 4.466 4.340 -0.005 0.000 0.186 156 L C 2.094 178.972 176.870 0.014 0.000 1.124 156 L CA 0.167 55.013 54.840 0.009 0.000 0.838 156 L CB -0.547 41.521 42.059 0.015 0.000 1.107 156 L HN -0.178 nan 8.230 nan 0.000 0.494 157 K N 1.075 121.495 120.400 0.033 0.000 1.985 157 K HA -0.088 4.229 4.320 -0.005 0.000 0.210 157 K C 2.074 178.678 176.600 0.007 0.000 1.047 157 K CA 1.667 57.990 56.287 0.060 0.000 0.932 157 K CB -0.266 32.325 32.500 0.153 0.000 0.716 157 K HN 0.148 nan 8.250 nan 0.000 0.439 158 I N 0.861 121.394 120.570 -0.063 0.000 2.076 158 I HA -0.241 3.926 4.170 -0.005 0.000 0.237 158 I C -0.917 175.139 176.117 -0.101 0.000 1.059 158 I CA 1.419 62.611 61.300 -0.180 0.000 1.317 158 I CB -1.216 36.574 38.000 -0.350 0.000 1.037 158 I HN 0.094 nan 8.210 nan 0.000 0.398 159 P HA -0.171 nan 4.420 nan 0.000 0.216 159 P C 1.962 179.286 177.300 0.040 0.000 1.150 159 P CA 1.537 64.708 63.100 0.119 0.000 0.843 159 P CB -0.011 31.730 31.700 0.069 0.000 0.787 160 L N -0.896 120.320 121.223 -0.011 0.000 2.056 160 L HA -0.139 4.198 4.340 -0.005 0.000 0.207 160 L C 2.494 179.300 176.870 -0.106 0.000 1.078 160 L CA 1.203 56.020 54.840 -0.038 0.000 0.749 160 L CB -0.836 41.213 42.059 -0.017 0.000 0.901 160 L HN -0.022 nan 8.230 nan 0.000 0.433 161 I N -1.139 119.351 120.570 -0.134 0.000 2.286 161 I HA -0.335 3.832 4.170 -0.005 0.000 0.248 161 I C 2.523 178.484 176.117 -0.260 0.000 1.115 161 I CA 1.554 62.720 61.300 -0.223 0.000 1.392 161 I CB -0.392 37.501 38.000 -0.179 0.000 1.065 161 I HN 0.356 nan 8.210 nan 0.000 0.418 162 H N 1.559 120.578 119.070 -0.086 0.000 2.422 162 H HA -0.131 4.422 4.556 -0.005 0.000 0.298 162 H C 2.221 177.489 175.328 -0.099 0.000 1.098 162 H CA 1.638 57.639 56.048 -0.079 0.000 1.315 162 H CB -0.204 29.529 29.762 -0.047 0.000 1.382 162 H HN 0.507 nan 8.280 nan 0.000 0.523 163 R N -0.097 120.398 120.500 -0.008 0.000 2.210 163 R HA 0.174 4.511 4.340 -0.005 0.000 0.203 163 R C 2.471 178.686 176.300 -0.141 0.000 1.010 163 R CA 0.618 56.694 56.100 -0.040 0.000 1.008 163 R CB 0.202 30.489 30.300 -0.022 0.000 0.923 163 R HN 0.149 nan 8.270 nan 0.000 0.469 164 A N 1.409 124.029 122.820 -0.334 0.000 1.930 164 A HA -0.071 4.246 4.320 -0.005 0.000 0.217 164 A C 2.053 179.375 177.584 -0.437 0.000 1.175 164 A CA 1.000 52.580 52.037 -0.762 0.000 0.627 164 A CB -0.389 17.618 19.000 -1.654 0.000 0.815 164 A HN 0.123 nan 8.150 nan 0.000 0.443 165 L N -1.136 119.933 121.223 -0.257 0.000 2.005 165 L HA -0.234 4.103 4.340 -0.005 0.000 0.207 165 L C 2.821 179.677 176.870 -0.024 0.000 1.072 165 L CA 1.709 56.492 54.840 -0.095 0.000 0.744 165 L CB -1.095 40.934 42.059 -0.051 0.000 0.895 165 L HN 0.443 nan 8.230 nan 0.000 0.433 166 Q N 0.061 119.854 119.800 -0.012 0.000 2.217 166 Q HA -0.222 4.115 4.340 -0.005 0.000 0.209 166 Q C 2.325 178.338 176.000 0.021 0.000 0.988 166 Q CA 1.486 57.295 55.803 0.010 0.000 0.878 166 Q CB -0.161 28.582 28.738 0.009 0.000 0.909 166 Q HN 0.503 nan 8.270 nan 0.000 0.424 167 L N -0.358 120.880 121.223 0.024 0.000 2.131 167 L HA 0.049 4.386 4.340 -0.005 0.000 0.206 167 L C 0.836 177.763 176.870 0.096 0.000 1.087 167 L CA -0.166 54.712 54.840 0.063 0.000 0.767 167 L CB -0.123 41.989 42.059 0.088 0.000 0.917 167 L HN 0.044 nan 8.230 nan 0.000 0.441 168 A N -0.303 122.585 122.820 0.113 0.000 2.409 168 A HA 0.050 4.367 4.320 -0.005 0.000 0.267 168 A C 0.958 178.595 177.584 0.087 0.000 1.127 168 A CA -0.128 51.996 52.037 0.145 0.000 0.795 168 A CB 0.718 19.849 19.000 0.218 0.000 1.061 168 A HN 0.306 nan 8.150 nan 0.000 0.502 169 Q N 1.456 121.301 119.800 0.075 0.000 2.302 169 Q HA -0.004 4.333 4.340 -0.005 0.000 0.202 169 Q C 0.305 176.336 176.000 0.050 0.000 0.936 169 Q CA 0.552 56.387 55.803 0.053 0.000 0.886 169 Q CB 0.134 28.898 28.738 0.044 0.000 0.986 169 Q HN 0.802 nan 8.270 nan 0.000 0.487 170 R N 1.816 122.351 120.500 0.057 0.000 2.438 170 R HA 0.208 4.545 4.340 -0.005 0.000 0.287 170 R C -2.336 173.994 176.300 0.050 0.000 1.077 170 R CA -1.689 54.441 56.100 0.049 0.000 1.034 170 R CB 0.040 30.370 30.300 0.051 0.000 0.993 170 R HN 0.054 nan 8.270 nan 0.000 0.459 171 P HA -0.046 nan 4.420 nan 0.000 0.264 171 P C -0.767 176.543 177.300 0.017 0.000 1.183 171 P CA 0.106 63.217 63.100 0.017 0.000 0.763 171 P CB 0.535 32.235 31.700 -0.001 0.000 0.807 172 V N 3.616 123.542 119.914 0.020 0.000 2.398 172 V HA 0.251 4.368 4.120 -0.005 0.000 0.286 172 V C 0.268 176.351 176.094 -0.019 0.000 1.026 172 V CA -0.212 62.106 62.300 0.031 0.000 0.868 172 V CB 1.662 33.532 31.823 0.078 0.000 0.982 172 V HN 0.486 nan 8.190 nan 0.000 0.443 173 S N 5.815 121.486 115.700 -0.049 0.000 2.508 173 S HA 0.692 5.159 4.470 -0.005 0.000 0.284 173 S C -0.427 174.200 174.600 0.044 0.000 1.192 173 S CA -0.502 57.672 58.200 -0.043 0.000 1.070 173 S CB 0.974 64.009 63.200 -0.276 0.000 1.004 173 S HN 0.487 nan 8.310 nan 0.000 0.493 174 L N 3.269 124.514 121.223 0.037 0.000 2.317 174 L HA 0.639 4.976 4.340 -0.005 0.000 0.281 174 L C -0.793 176.233 176.870 0.259 0.000 1.024 174 L CA -0.878 53.915 54.840 -0.079 0.000 0.810 174 L CB 1.236 42.830 42.059 -0.775 0.000 1.240 174 L HN 0.416 nan 8.230 nan 0.000 0.427 175 L N 3.178 124.628 121.223 0.378 0.000 2.365 175 L HA 0.914 5.251 4.340 -0.005 0.000 0.273 175 L C -0.657 176.459 176.870 0.411 0.000 1.000 175 L CA -0.173 54.902 54.840 0.392 0.000 0.819 175 L CB 1.742 43.953 42.059 0.253 0.000 1.284 175 L HN 0.665 nan 8.230 nan 0.000 0.418 176 A N 2.855 125.776 122.820 0.168 0.000 2.380 176 A HA 0.949 5.266 4.320 -0.005 0.000 0.315 176 A C -0.949 176.518 177.584 -0.196 0.000 1.101 176 A CA -0.468 51.491 52.037 -0.130 0.000 0.771 176 A CB 1.469 19.946 19.000 -0.872 0.000 1.287 176 A HN 0.718 nan 8.150 nan 0.000 0.436 177 S N 2.197 117.808 115.700 -0.149 0.000 2.603 177 S HA 0.643 5.110 4.470 -0.005 0.000 0.274 177 S C -3.157 171.441 174.600 -0.004 0.000 1.168 177 S CA -0.744 57.392 58.200 -0.107 0.000 0.963 177 S CB 2.214 65.365 63.200 -0.083 0.000 1.078 177 S HN 0.614 nan 8.310 nan 0.000 0.477 178 P HA 0.304 nan 4.420 nan 0.000 0.286 178 P C 0.133 177.534 177.300 0.169 0.000 1.261 178 P CA -0.638 62.526 63.100 0.106 0.000 0.821 178 P CB 0.986 32.723 31.700 0.062 0.000 1.013 179 W N 0.771 122.090 121.300 0.032 0.000 2.601 179 W HA 0.046 4.703 4.660 -0.005 0.000 0.292 179 W C 0.796 177.332 176.519 0.028 0.000 1.153 179 W CA 0.786 58.169 57.345 0.063 0.000 1.448 179 W CB 0.260 29.773 29.460 0.089 0.000 1.113 179 W HN 0.259 nan 8.180 nan 0.000 0.548 180 T N -0.347 114.308 114.554 0.168 0.000 2.864 180 T HA 0.329 4.676 4.350 -0.005 0.000 0.299 180 T C -0.366 174.149 174.700 -0.309 0.000 1.166 180 T CA -0.435 61.618 62.100 -0.078 0.000 1.007 180 T CB 1.576 70.397 68.868 -0.079 0.000 1.219 180 T HN -0.082 nan 8.240 nan 0.000 0.506 181 S N 2.632 117.881 115.700 -0.752 0.000 2.713 181 S HA 0.721 5.188 4.470 -0.005 0.000 0.283 181 S C -2.797 171.363 174.600 -0.733 0.000 1.161 181 S CA -1.336 56.108 58.200 -1.261 0.000 0.999 181 S CB 0.625 62.630 63.200 -1.992 0.000 1.039 181 S HN 0.540 nan 8.310 nan 0.000 0.548 182 P HA -0.043 nan 4.420 nan 0.000 0.263 182 P C 1.114 178.012 177.300 -0.669 0.000 1.162 182 P CA 0.652 63.391 63.100 -0.601 0.000 0.758 182 P CB 0.228 31.316 31.700 -1.019 0.000 0.773 183 T N 0.108 114.464 114.554 -0.330 0.000 3.085 183 T HA -0.078 4.269 4.350 -0.005 0.000 0.263 183 T C 1.164 175.773 174.700 -0.151 0.000 1.127 183 T CA 0.238 62.206 62.100 -0.219 0.000 1.103 183 T CB -0.577 68.244 68.868 -0.078 0.000 0.921 183 T HN 0.558 nan 8.240 nan 0.000 0.510 184 W N 1.256 122.488 121.300 -0.113 0.000 3.077 184 W HA 0.314 4.971 4.660 -0.006 0.000 0.245 184 W C 0.341 176.812 176.519 -0.080 0.000 1.316 184 W CA -0.444 56.851 57.345 -0.083 0.000 1.537 184 W CB -0.878 28.546 29.460 -0.059 0.000 1.131 184 W HN 0.287 nan 8.180 nan 0.000 0.695 185 L N 0.777 121.728 121.223 -0.453 0.000 2.640 185 L HA 0.260 4.597 4.340 -0.005 0.000 0.230 185 L C 0.709 177.305 176.870 -0.455 0.000 1.123 185 L CA 0.268 54.874 54.840 -0.390 0.000 0.900 185 L CB -0.331 41.413 42.059 -0.525 0.000 1.146 185 L HN -0.294 nan 8.230 nan 0.000 0.484 186 K N 0.015 120.188 120.400 -0.379 0.000 2.118 186 K HA 0.255 4.572 4.320 -0.005 0.000 0.254 186 K C 1.245 177.688 176.600 -0.262 0.000 0.961 186 K CA 0.067 56.146 56.287 -0.347 0.000 0.876 186 K CB 1.777 34.092 32.500 -0.308 0.000 1.077 186 K HN -0.032 nan 8.250 nan 0.000 0.440 187 T N -1.635 112.777 114.554 -0.237 0.000 2.881 187 T HA -0.159 4.188 4.350 -0.005 0.000 0.270 187 T C 1.108 175.734 174.700 -0.123 0.000 1.068 187 T CA 1.523 63.520 62.100 -0.171 0.000 1.131 187 T CB -0.225 68.559 68.868 -0.140 0.000 0.871 187 T HN 0.666 nan 8.240 nan 0.000 0.479 188 N N 0.882 119.512 118.700 -0.118 0.000 2.205 188 N HA 0.215 4.952 4.740 -0.005 0.000 0.201 188 N C 1.394 176.868 175.510 -0.060 0.000 1.128 188 N CA 0.373 53.377 53.050 -0.077 0.000 0.867 188 N CB -0.410 38.038 38.487 -0.065 0.000 0.996 188 N HN 0.597 nan 8.380 nan 0.000 0.503 189 G N -0.268 108.488 108.800 -0.074 0.000 2.283 189 G HA2 -0.031 3.926 3.960 -0.005 0.000 0.280 189 G HA3 -0.031 3.926 3.960 -0.005 0.000 0.280 189 G C -0.002 174.879 174.900 -0.032 0.000 1.029 189 G CA 0.520 45.596 45.100 -0.040 0.000 0.840 189 G HN 0.911 nan 8.290 nan 0.000 0.505 190 A N -1.507 121.281 122.820 -0.052 0.000 2.515 190 A HA 0.843 5.160 4.320 -0.005 0.000 0.298 190 A C 1.104 178.660 177.584 -0.046 0.000 1.059 190 A CA 0.243 52.262 52.037 -0.030 0.000 0.698 190 A CB 1.307 20.303 19.000 -0.007 0.000 1.289 190 A HN 1.532 nan 8.150 nan 0.000 0.404 191 V N -0.477 119.423 119.914 -0.023 0.000 3.078 191 V HA 0.050 4.167 4.120 -0.005 0.000 0.265 191 V C 0.618 176.751 176.094 0.064 0.000 1.122 191 V CA 1.854 64.145 62.300 -0.014 0.000 1.141 191 V CB -1.852 29.959 31.823 -0.020 0.000 0.735 191 V HN 0.978 nan 8.190 nan 0.000 0.498 192 N N -0.228 118.520 118.700 0.081 0.000 3.600 192 N HA 0.575 5.312 4.740 -0.005 0.000 0.348 192 N C 0.611 176.165 175.510 0.075 0.000 1.649 192 N CA 0.261 53.385 53.050 0.123 0.000 0.710 192 N CB 0.486 39.077 38.487 0.173 0.000 2.380 192 N HN 0.887 nan 8.380 nan 0.000 0.631 193 G N 0.294 109.148 108.800 0.089 0.000 2.692 193 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.248 193 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.248 193 G C -0.716 174.211 174.900 0.046 0.000 1.340 193 G CA 0.267 45.404 45.100 0.062 0.000 0.896 193 G HN 0.878 nan 8.290 nan 0.000 0.570 194 K N 0.626 121.030 120.400 0.008 0.000 2.339 194 K HA 0.547 4.864 4.320 -0.005 0.000 0.286 194 K C 0.446 177.012 176.600 -0.056 0.000 1.050 194 K CA 0.536 56.807 56.287 -0.027 0.000 0.956 194 K CB 0.044 32.528 32.500 -0.026 0.000 0.990 194 K HN 1.934 nan 8.250 nan 0.000 0.475 195 G N 1.739 110.485 108.800 -0.089 0.000 2.378 195 G HA2 0.164 4.121 3.960 -0.005 0.000 0.302 195 G HA3 0.164 4.121 3.960 -0.005 0.000 0.302 195 G C -1.226 173.552 174.900 -0.204 0.000 1.669 195 G CA -0.462 44.560 45.100 -0.130 0.000 0.920 195 G HN 0.667 nan 8.290 nan 0.000 0.697 196 S N 0.517 116.071 115.700 -0.244 0.000 2.823 196 S HA 0.857 5.324 4.470 -0.005 0.000 0.316 196 S C 0.246 174.593 174.600 -0.421 0.000 1.116 196 S CA -0.983 56.992 58.200 -0.376 0.000 0.911 196 S CB 1.118 64.157 63.200 -0.269 0.000 1.276 196 S HN 0.817 nan 8.310 nan 0.000 0.565 197 L N 1.050 121.946 121.223 -0.545 0.000 2.473 197 L HA 0.299 4.636 4.340 -0.005 0.000 0.268 197 L C 0.415 177.111 176.870 -0.289 0.000 1.215 197 L CA -0.124 54.398 54.840 -0.529 0.000 0.823 197 L CB 0.283 41.848 42.059 -0.823 0.000 1.099 197 L HN 0.640 nan 8.230 nan 0.000 0.483 198 K N 1.256 121.445 120.400 -0.352 0.000 2.205 198 K HA 0.485 4.802 4.320 -0.005 0.000 0.279 198 K C 0.541 177.129 176.600 -0.019 0.000 1.027 198 K CA 0.447 56.530 56.287 -0.340 0.000 0.932 198 K CB 1.161 33.145 32.500 -0.861 0.000 1.032 198 K HN 0.783 nan 8.250 nan 0.000 0.466 199 G N 1.606 110.418 108.800 0.021 0.000 2.509 199 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.256 199 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.256 199 G C -0.926 174.004 174.900 0.050 0.000 1.152 199 G CA -0.293 44.870 45.100 0.103 0.000 0.951 199 G HN 0.492 nan 8.290 nan 0.000 0.559 200 Q N 0.929 120.706 119.800 -0.038 0.000 2.372 200 Q HA 0.655 4.992 4.340 -0.005 0.000 0.273 200 Q C -2.601 172.970 176.000 -0.716 0.000 1.078 200 Q CA -1.667 53.948 55.803 -0.313 0.000 0.806 200 Q CB 2.227 30.867 28.738 -0.163 0.000 1.332 200 Q HN 0.418 nan 8.270 nan 0.000 0.435 201 P HA 0.063 nan 4.420 nan 0.000 0.263 201 P C 0.338 177.519 177.300 -0.198 0.000 1.175 201 P CA 1.765 64.572 63.100 -0.490 0.000 0.761 201 P CB 0.582 32.223 31.700 -0.099 0.000 0.794 202 G N 2.110 110.890 108.800 -0.034 0.000 2.397 202 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.211 202 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.211 202 G C 0.163 175.091 174.900 0.047 0.000 1.077 202 G CA 0.260 45.367 45.100 0.010 0.000 0.649 202 G HN 0.707 nan 8.290 nan 0.000 0.511 203 D N 0.630 121.057 120.400 0.046 0.000 2.414 203 D HA 0.413 5.050 4.640 -0.005 0.000 0.259 203 D C 1.815 178.178 176.300 0.106 0.000 1.269 203 D CA -0.192 53.854 54.000 0.077 0.000 1.028 203 D CB 0.229 41.093 40.800 0.107 0.000 1.093 203 D HN 0.389 nan 8.370 nan 0.000 0.545 204 I N -0.754 119.778 120.570 -0.063 0.000 2.493 204 I HA -0.250 3.917 4.170 -0.005 0.000 0.254 204 I C 1.314 177.404 176.117 -0.046 0.000 1.160 204 I CA 0.910 62.099 61.300 -0.185 0.000 1.445 204 I CB -0.056 37.622 38.000 -0.536 0.000 1.086 204 I HN 0.337 nan 8.210 nan 0.000 0.433 205 Y N 0.076 120.531 120.300 0.258 0.000 2.130 205 Y HA -0.255 4.292 4.550 -0.005 0.000 0.287 205 Y C 2.601 178.630 175.900 0.214 0.000 1.124 205 Y CA 1.823 60.089 58.100 0.277 0.000 1.118 205 Y CB -0.733 37.831 38.460 0.175 0.000 0.994 205 Y HN 0.187 nan 8.280 nan 0.000 0.497 206 H N -0.346 118.924 119.070 0.333 0.000 2.352 206 H HA -0.186 4.367 4.556 -0.005 0.000 0.299 206 H C 2.145 177.713 175.328 0.399 0.000 1.097 206 H CA 1.756 58.006 56.048 0.336 0.000 1.311 206 H CB -0.264 29.695 29.762 0.328 0.000 1.377 206 H HN 0.245 nan 8.280 nan 0.000 0.504 207 Q N -0.050 119.992 119.800 0.403 0.000 2.030 207 Q HA -0.125 4.212 4.340 -0.005 0.000 0.204 207 Q C 2.414 178.605 176.000 0.319 0.000 0.986 207 Q CA 1.898 57.877 55.803 0.294 0.000 0.843 207 Q CB -0.749 28.098 28.738 0.182 0.000 0.904 207 Q HN 0.490 nan 8.270 nan 0.000 0.420 208 T N 0.738 115.510 114.554 0.362 0.000 2.720 208 T HA -0.178 4.169 4.350 -0.005 0.000 0.268 208 T C 1.257 176.244 174.700 0.478 0.000 1.037 208 T CA 1.087 63.432 62.100 0.410 0.000 1.144 208 T CB -0.415 68.758 68.868 0.510 0.000 0.864 208 T HN 0.494 nan 8.240 nan 0.000 0.444 209 W N 1.544 122.966 121.300 0.203 0.000 2.333 209 W HA -0.191 4.466 4.660 -0.004 0.000 0.316 209 W C 2.646 179.423 176.519 0.430 0.000 1.215 209 W CA 0.865 58.325 57.345 0.192 0.000 1.278 209 W CB -0.271 29.174 29.460 -0.026 0.000 1.154 209 W HN 0.287 nan 8.180 nan 0.000 0.486 210 A N 0.750 123.820 122.820 0.417 0.000 1.948 210 A HA -0.269 4.048 4.320 -0.005 0.000 0.220 210 A C 1.936 179.603 177.584 0.139 0.000 1.177 210 A CA 1.991 54.119 52.037 0.151 0.000 0.636 210 A CB -1.045 18.016 19.000 0.101 0.000 0.815 210 A HN 0.428 nan 8.150 nan 0.000 0.449 211 R N -2.276 118.351 120.500 0.212 0.000 2.120 211 R HA -0.146 4.191 4.340 -0.005 0.000 0.234 211 R C 1.995 178.400 176.300 0.175 0.000 1.123 211 R CA 1.511 57.707 56.100 0.161 0.000 0.975 211 R CB -0.395 30.002 30.300 0.161 0.000 0.866 211 R HN 0.737 nan 8.270 nan 0.000 0.446 212 Y N -0.198 120.187 120.300 0.142 0.000 2.224 212 Y HA -0.258 4.289 4.550 -0.004 0.000 0.289 212 Y C 1.469 177.377 175.900 0.014 0.000 1.146 212 Y CA 1.457 59.647 58.100 0.149 0.000 1.182 212 Y CB -0.114 38.538 38.460 0.320 0.000 0.983 212 Y HN -0.027 nan 8.280 nan 0.000 0.524 213 F N -0.773 119.143 119.950 -0.056 0.000 2.126 213 F HA -0.259 4.264 4.527 -0.005 0.000 0.299 213 F C 2.349 178.072 175.800 -0.128 0.000 1.096 213 F CA 1.593 59.500 58.000 -0.155 0.000 1.255 213 F CB -1.146 37.693 39.000 -0.268 0.000 0.997 213 F HN -0.104 nan 8.300 nan 0.000 0.479 214 V N -0.237 119.720 119.914 0.071 0.000 2.307 214 V HA -0.248 3.869 4.120 -0.005 0.000 0.245 214 V C 2.506 178.501 176.094 -0.166 0.000 1.045 214 V CA 1.561 63.850 62.300 -0.019 0.000 1.024 214 V CB -0.524 31.320 31.823 0.035 0.000 0.651 214 V HN 0.167 nan 8.190 nan 0.000 0.449 215 K N -0.427 119.776 120.400 -0.329 0.000 2.103 215 K HA -0.175 4.142 4.320 -0.005 0.000 0.207 215 K C 2.012 178.085 176.600 -0.878 0.000 1.048 215 K CA 1.614 57.445 56.287 -0.760 0.000 0.930 215 K CB -0.735 31.033 32.500 -1.220 0.000 0.716 215 K HN 0.529 nan 8.250 nan 0.000 0.444 216 F N 1.648 121.170 119.950 -0.713 0.000 2.069 216 F HA -0.205 4.319 4.527 -0.005 0.000 0.298 216 F C 2.031 177.689 175.800 -0.237 0.000 1.113 216 F CA 1.406 59.227 58.000 -0.298 0.000 1.214 216 F CB -0.377 38.455 39.000 -0.280 0.000 0.978 216 F HN -0.111 nan 8.300 nan 0.000 0.474 217 L N 0.117 121.191 121.223 -0.248 0.000 2.042 217 L HA -0.249 4.088 4.340 -0.005 0.000 0.210 217 L C 2.277 178.922 176.870 -0.375 0.000 1.076 217 L CA 1.460 56.047 54.840 -0.421 0.000 0.749 217 L CB -0.917 40.743 42.059 -0.665 0.000 0.893 217 L HN 0.167 nan 8.230 nan 0.000 0.432 218 D N 0.278 120.530 120.400 -0.247 0.000 2.106 218 D HA -0.226 4.411 4.640 -0.005 0.000 0.191 218 D C 2.207 178.482 176.300 -0.041 0.000 0.997 218 D CA 1.742 55.724 54.000 -0.031 0.000 0.834 218 D CB -0.130 40.640 40.800 -0.050 0.000 0.956 218 D HN 0.354 nan 8.370 nan 0.000 0.448 219 A N 0.178 122.928 122.820 -0.117 0.000 1.883 219 A HA -0.227 4.090 4.320 -0.005 0.000 0.217 219 A C 2.168 179.747 177.584 -0.009 0.000 1.186 219 A CA 1.349 53.361 52.037 -0.041 0.000 0.624 219 A CB -1.111 17.865 19.000 -0.040 0.000 0.822 219 A HN 0.247 nan 8.150 nan 0.000 0.444 220 Y N -0.256 119.869 120.300 -0.292 0.000 2.314 220 Y HA 0.029 4.576 4.550 -0.005 0.000 0.293 220 Y C 2.852 178.762 175.900 0.016 0.000 1.129 220 Y CA 0.510 58.507 58.100 -0.172 0.000 1.201 220 Y CB -0.477 37.837 38.460 -0.243 0.000 0.999 220 Y HN 0.342 nan 8.280 nan 0.000 0.541 221 A N 0.275 123.187 122.820 0.154 0.000 1.883 221 A HA -0.252 4.065 4.320 -0.005 0.000 0.217 221 A C 1.999 179.653 177.584 0.116 0.000 1.186 221 A CA 2.044 54.174 52.037 0.156 0.000 0.624 221 A CB -0.661 18.461 19.000 0.202 0.000 0.822 221 A HN 0.516 nan 8.150 nan 0.000 0.444 222 E N -0.811 119.442 120.200 0.089 0.000 2.265 222 E HA -0.148 4.199 4.350 -0.005 0.000 0.196 222 E C 1.091 177.666 176.600 -0.042 0.000 0.996 222 E CA 0.951 57.361 56.400 0.016 0.000 0.832 222 E CB -0.206 29.485 29.700 -0.015 0.000 0.756 222 E HN 0.750 nan 8.360 nan 0.000 0.491 223 H N 0.408 119.455 119.070 -0.038 0.000 2.538 223 H HA 0.167 4.720 4.556 -0.005 0.000 0.286 223 H C -0.168 175.213 175.328 0.088 0.000 1.035 223 H CA 0.099 56.141 56.048 -0.010 0.000 1.169 223 H CB 0.186 29.893 29.762 -0.091 0.000 1.417 223 H HN 0.036 nan 8.280 nan 0.000 0.567 224 K N 0.683 121.175 120.400 0.153 0.000 3.096 224 K HA -0.167 4.150 4.320 -0.005 0.000 0.266 224 K C -0.728 175.983 176.600 0.185 0.000 1.043 224 K CA 0.243 56.615 56.287 0.141 0.000 0.758 224 K CB -1.514 31.038 32.500 0.087 0.000 1.260 224 K HN 0.301 nan 8.250 nan 0.000 0.481 225 L N 1.384 122.707 121.223 0.167 0.000 2.346 225 L HA 0.364 4.701 4.340 -0.005 0.000 0.276 225 L C 0.162 177.105 176.870 0.122 0.000 1.006 225 L CA -0.930 53.972 54.840 0.103 0.000 0.817 225 L CB 1.657 43.780 42.059 0.107 0.000 1.272 225 L HN 0.062 nan 8.230 nan 0.000 0.421 226 Q N 2.723 122.539 119.800 0.026 0.000 2.375 226 Q HA 0.524 4.861 4.340 -0.005 0.000 0.271 226 Q C -1.336 174.652 176.000 -0.020 0.000 1.074 226 Q CA -0.664 55.200 55.803 0.101 0.000 0.808 226 Q CB 2.668 31.470 28.738 0.106 0.000 1.327 226 Q HN 0.281 nan 8.270 nan 0.000 0.441 227 F N 0.784 120.771 119.950 0.061 0.000 2.404 227 F HA 0.199 4.724 4.527 -0.005 0.000 0.339 227 F C 1.084 176.943 175.800 0.098 0.000 1.105 227 F CA -0.696 57.347 58.000 0.072 0.000 1.087 227 F CB 0.814 39.830 39.000 0.026 0.000 1.143 227 F HN 0.771 nan 8.300 nan 0.000 0.491 228 W N 3.787 125.118 121.300 0.051 0.000 2.379 228 W HA 0.295 4.953 4.660 -0.005 0.000 0.307 228 W C -0.086 176.432 176.519 -0.001 0.000 1.200 228 W CA 1.247 58.589 57.345 -0.004 0.000 1.297 228 W CB -0.167 29.263 29.460 -0.050 0.000 1.140 228 W HN 0.451 nan 8.180 nan 0.000 0.507 229 A N -0.214 122.422 122.820 -0.307 0.000 2.610 229 A HA 0.590 4.907 4.320 -0.005 0.000 0.291 229 A C -1.304 176.124 177.584 -0.260 0.000 1.086 229 A CA -0.245 51.426 52.037 -0.610 0.000 0.677 229 A CB 0.872 19.021 19.000 -1.419 0.000 1.278 229 A HN 0.564 nan 8.150 nan 0.000 0.414 230 V N -1.275 118.465 119.914 -0.291 0.000 2.914 230 V HA 0.934 5.051 4.120 -0.005 0.000 0.314 230 V C 0.023 175.992 176.094 -0.209 0.000 1.084 230 V CA 0.078 62.254 62.300 -0.208 0.000 0.963 230 V CB 1.294 33.051 31.823 -0.110 0.000 1.025 230 V HN 1.674 nan 8.190 nan 0.000 0.432 231 T N 0.652 115.111 114.554 -0.157 0.000 2.934 231 T HA 0.701 5.048 4.350 -0.005 0.000 0.283 231 T C 1.199 175.867 174.700 -0.054 0.000 1.005 231 T CA 0.029 62.039 62.100 -0.151 0.000 1.041 231 T CB 1.648 70.409 68.868 -0.179 0.000 1.042 231 T HN 1.603 nan 8.240 nan 0.000 0.505 232 A N 0.952 123.691 122.820 -0.135 0.000 2.019 232 A HA 0.251 4.568 4.320 -0.005 0.000 0.219 232 A C 0.886 178.447 177.584 -0.038 0.000 1.164 232 A CA 1.545 53.495 52.037 -0.144 0.000 0.644 232 A CB -0.803 18.048 19.000 -0.248 0.000 0.805 232 A HN 1.090 nan 8.150 nan 0.000 0.449 233 E N -1.834 118.298 120.200 -0.114 0.000 2.745 233 E HA 0.205 4.552 4.350 -0.005 0.000 0.306 233 E C -1.217 175.209 176.600 -0.290 0.000 1.090 233 E CA -0.409 55.926 56.400 -0.108 0.000 0.893 233 E CB -0.250 29.375 29.700 -0.125 0.000 1.205 233 E HN 0.177 nan 8.360 nan 0.000 0.438 234 N N 2.635 121.071 118.700 -0.440 0.000 2.492 234 N HA 0.095 4.832 4.740 -0.005 0.000 0.260 234 N C -0.683 174.497 175.510 -0.549 0.000 1.215 234 N CA 0.466 53.078 53.050 -0.730 0.000 0.923 234 N CB 0.497 38.002 38.487 -1.636 0.000 1.092 234 N HN 0.555 nan 8.380 nan 0.000 0.448 235 E N 1.684 121.546 120.200 -0.565 0.000 1.580 235 E HA -0.202 4.145 4.350 -0.005 0.000 0.174 235 E C -1.575 174.832 176.600 -0.321 0.000 1.177 235 E CA -0.108 56.013 56.400 -0.466 0.000 0.512 235 E CB -0.454 29.047 29.700 -0.331 0.000 1.034 235 E HN 0.638 nan 8.360 nan 0.000 0.266 236 P HA -0.244 nan 4.420 nan 0.000 0.218 236 P C 1.473 178.759 177.300 -0.024 0.000 1.148 236 P CA 1.686 64.759 63.100 -0.045 0.000 0.822 236 P CB 0.053 31.773 31.700 0.033 0.000 0.784 237 S N 0.129 115.739 115.700 -0.150 0.000 2.419 237 S HA -0.064 4.403 4.470 -0.005 0.000 0.233 237 S C 2.229 176.722 174.600 -0.179 0.000 1.016 237 S CA 1.027 59.187 58.200 -0.067 0.000 0.974 237 S CB -1.350 61.794 63.200 -0.094 0.000 0.786 237 S HN 0.154 nan 8.310 nan 0.000 0.492 238 A N 1.884 124.500 122.820 -0.342 0.000 1.972 238 A HA 0.208 4.525 4.320 -0.005 0.000 0.219 238 A C 2.283 179.534 177.584 -0.555 0.000 1.169 238 A CA 1.367 52.981 52.037 -0.705 0.000 0.635 238 A CB -1.565 16.785 19.000 -1.084 0.000 0.810 238 A HN 0.675 nan 8.150 nan 0.000 0.446 239 G N -0.689 107.949 108.800 -0.269 0.000 2.776 239 G HA2 0.184 4.141 3.960 -0.005 0.000 0.209 239 G HA3 0.184 4.141 3.960 -0.005 0.000 0.209 239 G C 0.936 175.767 174.900 -0.114 0.000 1.145 239 G CA 0.535 45.548 45.100 -0.145 0.000 0.791 239 G HN 0.479 nan 8.290 nan 0.000 0.530 240 L N -0.035 121.120 121.223 -0.115 0.000 2.872 240 L HA 0.437 4.774 4.340 -0.005 0.000 0.245 240 L C -0.565 176.264 176.870 -0.068 0.000 1.211 240 L CA -0.267 54.534 54.840 -0.066 0.000 1.013 240 L CB 0.249 42.294 42.059 -0.023 0.000 1.326 240 L HN -0.044 nan 8.230 nan 0.000 0.525 241 L N 0.348 121.515 121.223 -0.092 0.000 2.316 241 L HA 0.305 4.642 4.340 -0.005 0.000 0.280 241 L C 0.661 177.535 176.870 0.008 0.000 1.006 241 L CA -0.264 54.550 54.840 -0.043 0.000 0.836 241 L CB 1.689 43.717 42.059 -0.052 0.000 1.221 241 L HN 0.084 nan 8.230 nan 0.000 0.418 242 S N 1.651 117.351 115.700 0.000 0.000 2.702 242 S HA 0.269 4.735 4.470 -0.005 0.000 0.314 242 S C 1.222 175.831 174.600 0.015 0.000 1.244 242 S CA 0.002 58.204 58.200 0.003 0.000 1.058 242 S CB 0.040 63.237 63.200 -0.006 0.000 0.783 242 S HN 1.310 nan 8.310 nan 0.000 0.503 243 G N 1.753 110.562 108.800 0.015 0.000 2.273 243 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.280 243 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.280 243 G C -0.240 174.653 174.900 -0.011 0.000 1.047 243 G CA 0.268 45.366 45.100 -0.004 0.000 0.869 243 G HN 1.113 nan 8.290 nan 0.000 0.502 244 Y N 1.233 121.462 120.300 -0.118 0.000 2.544 244 Y HA 0.335 4.882 4.550 -0.005 0.000 0.330 244 Y C -0.341 175.440 175.900 -0.199 0.000 1.136 244 Y CA -1.082 56.905 58.100 -0.189 0.000 1.417 244 Y CB 1.179 39.550 38.460 -0.149 0.000 1.229 244 Y HN 0.121 nan 8.280 nan 0.000 0.532 245 P HA -0.053 nan 4.420 nan 0.000 0.230 245 P C -0.321 176.770 177.300 -0.349 0.000 1.168 245 P CA 0.885 63.659 63.100 -0.543 0.000 0.793 245 P CB 0.241 31.554 31.700 -0.646 0.000 0.851 246 F N 0.133 119.808 119.950 -0.458 0.000 2.380 246 F HA 0.335 4.859 4.527 -0.004 0.000 0.321 246 F C 0.966 176.882 175.800 0.193 0.000 1.103 246 F CA -1.664 56.277 58.000 -0.099 0.000 1.067 246 F CB 0.116 39.127 39.000 0.019 0.000 1.265 246 F HN -0.355 nan 8.300 nan 0.000 0.517 247 Q N 1.435 121.563 119.800 0.547 0.000 2.362 247 Q HA 0.072 4.409 4.340 -0.005 0.000 0.305 247 Q C -0.435 175.866 176.000 0.502 0.000 1.120 247 Q CA 0.145 56.206 55.803 0.429 0.000 1.011 247 Q CB -0.069 28.876 28.738 0.344 0.000 1.048 247 Q HN 0.632 nan 8.270 nan 0.000 0.386 248 C N 0.651 120.147 119.300 0.325 0.000 3.235 248 C HA 0.942 5.399 4.460 -0.005 0.000 0.351 248 C C -1.119 173.900 174.990 0.047 0.000 1.520 248 C CA -1.257 57.887 59.018 0.211 0.000 1.474 248 C CB 0.998 28.859 27.740 0.201 0.000 2.019 248 C HN 0.749 nan 8.230 nan 0.000 0.446 249 L N 1.222 122.435 121.223 -0.016 0.000 2.849 249 L HA 0.613 4.950 4.340 -0.005 0.000 0.256 249 L C -0.057 176.753 176.870 -0.101 0.000 0.951 249 L CA 0.270 55.039 54.840 -0.117 0.000 1.003 249 L CB 0.704 42.700 42.059 -0.106 0.000 1.408 249 L HN 1.315 nan 8.230 nan 0.000 0.463 250 G N 3.473 112.130 108.800 -0.238 0.000 2.364 250 G HA2 0.480 4.437 3.960 -0.005 0.000 0.267 250 G HA3 0.480 4.437 3.960 -0.005 0.000 0.267 250 G C -1.098 173.571 174.900 -0.384 0.000 1.233 250 G CA 0.035 45.024 45.100 -0.186 0.000 0.885 250 G HN 0.364 nan 8.290 nan 0.000 0.490 251 F N 0.755 120.662 119.950 -0.071 0.000 2.539 251 F HA 0.373 4.898 4.527 -0.004 0.000 0.318 251 F C 0.942 176.814 175.800 0.121 0.000 1.135 251 F CA -0.862 57.096 58.000 -0.072 0.000 0.915 251 F CB 2.114 41.089 39.000 -0.042 0.000 1.176 251 F HN 0.603 nan 8.300 nan 0.000 0.440 252 T N 0.385 115.062 114.554 0.205 0.000 2.860 252 T HA 0.181 4.528 4.350 -0.005 0.000 0.299 252 T C -1.794 172.707 174.700 -0.331 0.000 1.045 252 T CA -1.472 60.651 62.100 0.039 0.000 1.071 252 T CB 1.092 69.969 68.868 0.015 0.000 0.985 252 T HN 0.324 nan 8.240 nan 0.000 0.537 253 P HA -0.158 nan 4.420 nan 0.000 0.216 253 P C 1.168 178.078 177.300 -0.650 0.000 1.154 253 P CA 1.363 63.488 63.100 -1.625 0.000 0.865 253 P CB 0.104 30.883 31.700 -1.536 0.000 0.789 254 E N -1.300 118.685 120.200 -0.358 0.000 2.058 254 E HA -0.213 4.133 4.350 -0.005 0.000 0.194 254 E C 2.281 178.888 176.600 0.012 0.000 0.997 254 E CA 1.200 57.511 56.400 -0.149 0.000 0.801 254 E CB -1.142 28.499 29.700 -0.098 0.000 0.746 254 E HN 0.510 nan 8.360 nan 0.000 0.450 255 H N -0.204 118.849 119.070 -0.029 0.000 2.387 255 H HA -0.143 4.410 4.556 -0.004 0.000 0.299 255 H C 2.262 177.772 175.328 0.302 0.000 1.090 255 H CA 1.382 57.509 56.048 0.131 0.000 1.332 255 H CB 0.262 30.100 29.762 0.126 0.000 1.386 255 H HN 0.160 nan 8.280 nan 0.000 0.516 256 Q N 0.823 120.800 119.800 0.297 0.000 2.050 256 Q HA -0.198 4.139 4.340 -0.005 0.000 0.202 256 Q C 2.566 178.640 176.000 0.123 0.000 0.980 256 Q CA 1.531 57.452 55.803 0.197 0.000 0.840 256 Q CB -0.121 28.680 28.738 0.105 0.000 0.898 256 Q HN 0.349 nan 8.270 nan 0.000 0.424 257 R N -0.002 120.511 120.500 0.022 0.000 2.096 257 R HA -0.209 4.128 4.340 -0.005 0.000 0.240 257 R C 1.363 177.693 176.300 0.050 0.000 1.139 257 R CA 2.117 58.212 56.100 -0.009 0.000 0.952 257 R CB -0.261 30.003 30.300 -0.061 0.000 0.854 257 R HN 0.421 nan 8.270 nan 0.000 0.436 258 D N -0.466 120.011 120.400 0.128 0.000 2.149 258 D HA -0.141 4.496 4.640 -0.005 0.000 0.201 258 D C 1.549 177.981 176.300 0.221 0.000 0.972 258 D CA 0.808 54.889 54.000 0.135 0.000 0.835 258 D CB -0.284 40.583 40.800 0.112 0.000 0.966 258 D HN 0.202 nan 8.370 nan 0.000 0.476 259 F N 1.411 121.486 119.950 0.209 0.000 2.186 259 F HA -0.035 4.489 4.527 -0.005 0.000 0.299 259 F C 2.023 177.836 175.800 0.022 0.000 1.090 259 F CA 0.680 58.819 58.000 0.233 0.000 1.307 259 F CB -0.409 38.856 39.000 0.441 0.000 1.019 259 F HN -0.158 nan 8.300 nan 0.000 0.489 260 I N 0.275 120.708 120.570 -0.228 0.000 2.179 260 I HA -0.290 3.877 4.170 -0.005 0.000 0.242 260 I C 2.709 178.628 176.117 -0.330 0.000 1.088 260 I CA 1.360 62.405 61.300 -0.424 0.000 1.357 260 I CB -0.918 36.927 38.000 -0.258 0.000 1.051 260 I HN 0.201 nan 8.210 nan 0.000 0.409 261 A N 0.611 123.364 122.820 -0.111 0.000 1.858 261 A HA -0.163 4.154 4.320 -0.005 0.000 0.216 261 A C 2.384 179.929 177.584 -0.065 0.000 1.190 261 A CA 1.454 53.486 52.037 -0.008 0.000 0.617 261 A CB -0.374 18.649 19.000 0.039 0.000 0.827 261 A HN 0.247 nan 8.150 nan 0.000 0.443 262 R N -0.538 119.932 120.500 -0.051 0.000 2.140 262 R HA 0.048 4.385 4.340 -0.005 0.000 0.213 262 R C 0.764 177.034 176.300 -0.051 0.000 1.059 262 R CA 1.394 57.485 56.100 -0.016 0.000 1.000 262 R CB -0.292 30.029 30.300 0.035 0.000 0.910 262 R HN 0.638 nan 8.270 nan 0.000 0.455 263 D N -0.366 119.965 120.400 -0.115 0.000 3.234 263 D HA -0.023 4.614 4.640 -0.005 0.000 0.281 263 D C 1.833 177.890 176.300 -0.404 0.000 1.405 263 D CA -0.169 53.767 54.000 -0.106 0.000 1.115 263 D CB -0.343 40.615 40.800 0.263 0.000 1.198 263 D HN -0.090 nan 8.370 nan 0.000 0.388 264 L N 2.139 122.860 121.223 -0.838 0.000 2.017 264 L HA 0.013 4.350 4.340 -0.005 0.000 0.208 264 L C 2.225 178.627 176.870 -0.780 0.000 1.073 264 L CA 2.180 56.439 54.840 -0.969 0.000 0.745 264 L CB -0.974 40.224 42.059 -1.435 0.000 0.894 264 L HN 0.124 nan 8.230 nan 0.000 0.432 265 G N -0.584 107.649 108.800 -0.944 0.000 2.484 265 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.215 265 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.215 265 G C -0.626 173.611 174.900 -1.106 0.000 1.219 265 G CA 0.908 45.091 45.100 -1.527 0.000 0.791 265 G HN 0.353 nan 8.290 nan 0.000 0.550 266 P HA -0.090 nan 4.420 nan 0.000 0.214 266 P C 2.122 179.313 177.300 -0.182 0.000 1.163 266 P CA 2.215 65.158 63.100 -0.261 0.000 0.889 266 P CB -0.428 31.188 31.700 -0.141 0.000 0.790 267 T N -0.115 114.315 114.554 -0.208 0.000 2.684 267 T HA -0.151 4.195 4.350 -0.005 0.000 0.267 267 T C 1.833 176.473 174.700 -0.099 0.000 1.036 267 T CA 1.266 63.292 62.100 -0.124 0.000 1.148 267 T CB -1.078 67.715 68.868 -0.125 0.000 0.863 267 T HN 0.044 nan 8.240 nan 0.000 0.436 268 L N 0.598 121.721 121.223 -0.167 0.000 2.056 268 L HA -0.046 4.291 4.340 -0.005 0.000 0.207 268 L C 2.994 179.866 176.870 0.003 0.000 1.078 268 L CA 1.231 56.020 54.840 -0.085 0.000 0.749 268 L CB -0.578 41.386 42.059 -0.158 0.000 0.901 268 L HN 0.257 nan 8.230 nan 0.000 0.433 269 A N -0.153 122.657 122.820 -0.016 0.000 1.929 269 A HA -0.202 4.115 4.320 -0.005 0.000 0.216 269 A C 1.913 179.530 177.584 0.054 0.000 1.176 269 A CA 1.686 53.769 52.037 0.076 0.000 0.628 269 A CB -0.621 18.464 19.000 0.142 0.000 0.816 269 A HN 0.450 nan 8.150 nan 0.000 0.444 270 N N 0.077 118.786 118.700 0.015 0.000 2.485 270 N HA -0.003 4.734 4.740 -0.005 0.000 0.199 270 N C 0.181 175.703 175.510 0.020 0.000 1.236 270 N CA 0.741 53.795 53.050 0.007 0.000 0.852 270 N CB -0.209 38.276 38.487 -0.004 0.000 1.018 270 N HN 0.494 nan 8.380 nan 0.000 0.457 271 S N -2.693 113.040 115.700 0.054 0.000 2.671 271 S HA 0.263 4.730 4.470 -0.005 0.000 0.299 271 S C 1.063 175.711 174.600 0.080 0.000 1.116 271 S CA -0.222 58.013 58.200 0.059 0.000 0.912 271 S CB 0.807 64.061 63.200 0.090 0.000 1.130 271 S HN 0.179 nan 8.310 nan 0.000 0.501 272 T N -1.340 113.179 114.554 -0.059 0.000 3.163 272 T HA 0.017 4.364 4.350 -0.005 0.000 0.260 272 T C 0.420 174.890 174.700 -0.384 0.000 1.156 272 T CA 0.703 62.707 62.100 -0.160 0.000 1.072 272 T CB -0.782 67.891 68.868 -0.324 0.000 0.937 272 T HN 0.752 nan 8.240 nan 0.000 0.528 273 H N 0.786 119.853 119.070 -0.004 0.000 2.503 273 H HA 0.194 4.747 4.556 -0.005 0.000 0.296 273 H C 1.237 176.481 175.328 -0.139 0.000 1.097 273 H CA 0.228 56.217 56.048 -0.098 0.000 1.055 273 H CB -0.336 29.409 29.762 -0.029 0.000 1.580 273 H HN 0.809 nan 8.280 nan 0.000 0.546 274 H N -0.868 118.223 119.070 0.035 0.000 2.489 274 H HA -0.064 4.489 4.556 -0.005 0.000 0.295 274 H C 1.338 176.673 175.328 0.011 0.000 1.082 274 H CA 0.990 57.047 56.048 0.015 0.000 1.295 274 H CB 0.087 29.849 29.762 -0.000 0.000 1.380 274 H HN 0.064 nan 8.280 nan 0.000 0.548 275 N N 0.806 119.297 118.700 -0.348 0.000 2.409 275 N HA -0.016 4.721 4.740 -0.005 0.000 0.179 275 N C -0.036 175.415 175.510 -0.099 0.000 1.032 275 N CA 0.444 53.387 53.050 -0.178 0.000 0.898 275 N CB 0.086 38.430 38.487 -0.238 0.000 0.971 275 N HN 0.185 nan 8.380 nan 0.000 0.441 276 V N 2.955 122.823 119.914 -0.077 0.000 2.673 276 V HA -0.006 4.111 4.120 -0.005 0.000 0.303 276 V C 0.977 176.963 176.094 -0.181 0.000 1.046 276 V CA 0.028 62.270 62.300 -0.096 0.000 1.126 276 V CB 0.522 32.325 31.823 -0.033 0.000 0.934 276 V HN 0.140 nan 8.190 nan 0.000 0.487 277 R N 2.942 123.243 120.500 -0.331 0.000 2.553 277 R HA 0.669 5.006 4.340 -0.005 0.000 0.263 277 R C -0.760 175.343 176.300 -0.329 0.000 1.066 277 R CA -0.891 54.982 56.100 -0.379 0.000 1.135 277 R CB 1.379 31.291 30.300 -0.648 0.000 1.148 277 R HN 0.516 nan 8.270 nan 0.000 0.558 278 L N 1.388 122.473 121.223 -0.229 0.000 2.362 278 L HA 0.459 4.796 4.340 -0.005 0.000 0.275 278 L C -1.320 175.433 176.870 -0.195 0.000 0.998 278 L CA -0.378 54.326 54.840 -0.226 0.000 0.820 278 L CB 1.493 43.424 42.059 -0.214 0.000 1.270 278 L HN 0.409 nan 8.230 nan 0.000 0.415 279 L N 5.573 126.655 121.223 -0.234 0.000 2.322 279 L HA 0.586 4.922 4.340 -0.005 0.000 0.281 279 L C 0.146 176.906 176.870 -0.182 0.000 1.014 279 L CA -0.783 53.935 54.840 -0.204 0.000 0.815 279 L CB 1.674 43.584 42.059 -0.247 0.000 1.247 279 L HN 0.780 nan 8.230 nan 0.000 0.421 280 M N 1.782 121.290 119.600 -0.153 0.000 2.369 280 M HA 0.533 5.010 4.480 -0.005 0.000 0.291 280 M C 0.670 176.864 176.300 -0.177 0.000 1.178 280 M CA -0.303 54.915 55.300 -0.136 0.000 0.996 280 M CB 1.179 33.732 32.600 -0.079 0.000 1.472 280 M HN 0.471 nan 8.290 nan 0.000 0.496 281 L N 0.087 121.177 121.223 -0.221 0.000 3.604 281 L HA -0.360 3.977 4.340 -0.005 0.000 0.053 281 L C 0.396 176.961 176.870 -0.509 0.000 4.343 281 L CA 2.963 57.511 54.840 -0.487 0.000 0.628 281 L CB -1.873 39.944 42.059 -0.404 0.000 3.503 281 L HN 1.169 nan 8.230 nan 0.000 0.843 282 D N 0.726 120.898 120.400 -0.380 0.000 2.704 282 D HA -0.130 4.507 4.640 -0.005 0.000 0.232 282 D C -0.240 175.577 176.300 -0.806 0.000 1.183 282 D CA 1.436 55.190 54.000 -0.411 0.000 0.647 282 D CB -0.736 39.864 40.800 -0.335 0.000 1.013 282 D HN 0.689 nan 8.370 nan 0.000 0.415 283 D N -0.808 119.127 120.400 -0.775 0.000 2.759 283 D HA 0.147 4.784 4.640 -0.005 0.000 0.321 283 D C -0.513 175.487 176.300 -0.500 0.000 1.267 283 D CA -0.416 53.083 54.000 -0.835 0.000 0.933 283 D CB 0.727 41.067 40.800 -0.767 0.000 1.431 283 D HN -0.122 nan 8.370 nan 0.000 0.504 284 Q N 1.208 120.804 119.800 -0.340 0.000 2.274 284 Q HA 0.048 4.385 4.340 -0.005 0.000 0.280 284 Q C 1.189 177.103 176.000 -0.144 0.000 1.047 284 Q CA 0.211 55.929 55.803 -0.141 0.000 0.907 284 Q CB 0.550 29.236 28.738 -0.087 0.000 1.171 284 Q HN 0.511 nan 8.270 nan 0.000 0.381 285 R N 2.093 122.548 120.500 -0.075 0.000 2.185 285 R HA -0.227 4.110 4.340 -0.005 0.000 0.247 285 R C 1.487 177.746 176.300 -0.068 0.000 1.159 285 R CA 1.223 57.281 56.100 -0.069 0.000 0.988 285 R CB -0.435 29.839 30.300 -0.044 0.000 0.871 285 R HN 0.442 nan 8.270 nan 0.000 0.458 286 L N 1.520 122.697 121.223 -0.077 0.000 2.137 286 L HA -0.121 4.216 4.340 -0.005 0.000 0.213 286 L C 1.898 178.762 176.870 -0.010 0.000 1.085 286 L CA 1.594 56.402 54.840 -0.053 0.000 0.760 286 L CB -0.224 41.797 42.059 -0.065 0.000 0.893 286 L HN 0.296 nan 8.230 nan 0.000 0.434 287 L N -1.134 120.070 121.223 -0.032 0.000 2.622 287 L HA -0.010 4.327 4.340 -0.005 0.000 0.233 287 L C 0.434 177.400 176.870 0.159 0.000 1.156 287 L CA -0.016 54.860 54.840 0.060 0.000 0.866 287 L CB -0.417 41.545 42.059 -0.161 0.000 0.980 287 L HN 0.124 nan 8.230 nan 0.000 0.448 288 L N -0.422 120.851 121.223 0.082 0.000 2.331 288 L HA 0.295 4.632 4.340 -0.005 0.000 0.275 288 L C -1.431 175.505 176.870 0.111 0.000 1.022 288 L CA -1.724 53.180 54.840 0.107 0.000 0.812 288 L CB 1.484 43.573 42.059 0.050 0.000 1.257 288 L HN -0.208 nan 8.230 nan 0.000 0.435 289 P HA -0.088 nan 4.420 nan 0.000 0.222 289 P C 1.183 178.612 177.300 0.215 0.000 1.153 289 P CA 0.730 63.939 63.100 0.181 0.000 0.798 289 P CB 0.137 31.947 31.700 0.183 0.000 0.796 290 H N -1.082 118.065 119.070 0.127 0.000 2.292 290 H HA -0.215 4.337 4.556 -0.005 0.000 0.292 290 H C 1.592 176.986 175.328 0.110 0.000 1.100 290 H CA 2.098 58.211 56.048 0.109 0.000 1.238 290 H CB -1.071 28.749 29.762 0.097 0.000 1.355 290 H HN 0.082 nan 8.280 nan 0.000 0.484 291 W N 0.236 121.439 121.300 -0.162 0.000 2.342 291 W HA -0.094 4.563 4.660 -0.004 0.000 0.297 291 W C 2.860 179.218 176.519 -0.270 0.000 1.213 291 W CA 2.321 59.512 57.345 -0.256 0.000 1.251 291 W CB -0.561 28.815 29.460 -0.139 0.000 1.136 291 W HN 0.393 nan 8.180 nan 0.000 0.526 292 A N -0.614 122.197 122.820 -0.016 0.000 2.016 292 A HA -0.097 4.220 4.320 -0.005 0.000 0.217 292 A C 1.976 179.328 177.584 -0.387 0.000 1.162 292 A CA 1.018 52.884 52.037 -0.285 0.000 0.662 292 A CB -0.432 18.328 19.000 -0.399 0.000 0.812 292 A HN 0.135 nan 8.150 nan 0.000 0.450 293 K N -0.108 120.247 120.400 -0.074 0.000 2.009 293 K HA -0.133 4.184 4.320 -0.005 0.000 0.210 293 K C 1.941 178.501 176.600 -0.067 0.000 1.049 293 K CA 1.736 58.085 56.287 0.103 0.000 0.929 293 K CB -0.511 32.086 32.500 0.162 0.000 0.714 293 K HN 0.334 nan 8.250 nan 0.000 0.440 294 V N 1.030 120.794 119.914 -0.249 0.000 2.343 294 V HA -0.195 3.922 4.120 -0.005 0.000 0.247 294 V C 2.368 178.334 176.094 -0.214 0.000 1.051 294 V CA 1.449 63.583 62.300 -0.276 0.000 1.036 294 V CB -0.254 31.277 31.823 -0.487 0.000 0.654 294 V HN 0.060 nan 8.190 nan 0.000 0.451 295 V N -0.616 119.158 119.914 -0.233 0.000 2.407 295 V HA -0.098 4.019 4.120 -0.005 0.000 0.245 295 V C 2.143 178.139 176.094 -0.165 0.000 1.041 295 V CA 1.492 63.686 62.300 -0.177 0.000 1.040 295 V CB -0.368 31.371 31.823 -0.141 0.000 0.671 295 V HN 0.405 nan 8.190 nan 0.000 0.455 296 L N 0.659 121.727 121.223 -0.259 0.000 2.270 296 L HA -0.061 4.276 4.340 -0.005 0.000 0.210 296 L C 2.704 179.563 176.870 -0.018 0.000 1.104 296 L CA 1.529 56.218 54.840 -0.251 0.000 0.804 296 L CB -0.846 40.801 42.059 -0.687 0.000 0.937 296 L HN 0.552 nan 8.230 nan 0.000 0.450 297 T N -3.498 111.091 114.554 0.057 0.000 3.025 297 T HA -0.171 4.176 4.350 -0.005 0.000 0.270 297 T C 0.691 175.406 174.700 0.025 0.000 1.126 297 T CA 0.472 62.629 62.100 0.096 0.000 1.105 297 T CB -0.477 68.452 68.868 0.101 0.000 0.884 297 T HN 0.137 nan 8.240 nan 0.000 0.522 298 D N 2.674 123.067 120.400 -0.011 0.000 2.380 298 D HA 0.255 4.892 4.640 -0.005 0.000 0.230 298 D C -1.288 175.000 176.300 -0.021 0.000 1.154 298 D CA -2.884 51.105 54.000 -0.017 0.000 0.859 298 D CB 1.589 42.373 40.800 -0.026 0.000 1.045 298 D HN 0.009 nan 8.370 nan 0.000 0.495 299 P HA -0.191 nan 4.420 nan 0.000 0.218 299 P C 1.072 178.338 177.300 -0.058 0.000 1.146 299 P CA 0.750 63.828 63.100 -0.037 0.000 0.813 299 P CB 0.493 32.172 31.700 -0.034 0.000 0.778 300 E N -0.124 120.057 120.200 -0.032 0.000 2.072 300 E HA -0.104 4.243 4.350 -0.005 0.000 0.191 300 E C 2.004 178.630 176.600 0.043 0.000 0.985 300 E CA 1.163 57.558 56.400 -0.009 0.000 0.801 300 E CB -0.321 29.391 29.700 0.020 0.000 0.750 300 E HN 0.110 nan 8.360 nan 0.000 0.452 301 A N 1.376 124.213 122.820 0.029 0.000 1.832 301 A HA -0.049 4.268 4.320 -0.005 0.000 0.214 301 A C 2.460 180.058 177.584 0.024 0.000 1.200 301 A CA 2.104 54.167 52.037 0.044 0.000 0.610 301 A CB -0.957 18.032 19.000 -0.018 0.000 0.842 301 A HN 0.298 nan 8.150 nan 0.000 0.444 302 A N 1.104 123.901 122.820 -0.038 0.000 1.948 302 A HA -0.250 4.066 4.320 -0.005 0.000 0.220 302 A C 2.021 179.556 177.584 -0.082 0.000 1.177 302 A CA 2.259 54.260 52.037 -0.060 0.000 0.636 302 A CB -0.765 18.205 19.000 -0.051 0.000 0.815 302 A HN 0.736 nan 8.150 nan 0.000 0.449 303 K N -1.786 118.516 120.400 -0.162 0.000 2.360 303 K HA -0.157 4.160 4.320 -0.005 0.000 0.201 303 K C 1.001 177.402 176.600 -0.332 0.000 1.046 303 K CA 1.740 57.858 56.287 -0.282 0.000 0.940 303 K CB -0.452 31.787 32.500 -0.435 0.000 0.748 303 K HN 0.644 nan 8.250 nan 0.000 0.465 304 Y N 0.722 120.976 120.300 -0.077 0.000 2.444 304 Y HA 0.199 4.746 4.550 -0.005 0.000 0.249 304 Y C 0.314 176.153 175.900 -0.102 0.000 1.134 304 Y CA -0.789 57.252 58.100 -0.098 0.000 1.261 304 Y CB 1.158 39.534 38.460 -0.140 0.000 1.143 304 Y HN -0.216 nan 8.280 nan 0.000 0.523 305 V N 1.085 121.023 119.914 0.040 0.000 2.348 305 V HA 0.014 4.131 4.120 -0.005 0.000 0.270 305 V C 0.815 176.921 176.094 0.020 0.000 1.037 305 V CA -0.260 62.035 62.300 -0.008 0.000 0.872 305 V CB 0.745 32.531 31.823 -0.062 0.000 1.002 305 V HN 0.324 nan 8.190 nan 0.000 0.464 306 H N 3.951 122.967 119.070 -0.091 0.000 2.462 306 H HA 0.277 4.830 4.556 -0.005 0.000 0.292 306 H C 0.822 176.113 175.328 -0.062 0.000 1.049 306 H CA 1.041 57.043 56.048 -0.077 0.000 1.334 306 H CB 0.429 30.118 29.762 -0.122 0.000 1.404 306 H HN 0.737 nan 8.280 nan 0.000 0.544 307 G N -0.857 107.857 108.800 -0.144 0.000 2.673 307 G HA2 0.440 4.397 3.960 -0.005 0.000 0.292 307 G HA3 0.440 4.397 3.960 -0.005 0.000 0.292 307 G C -1.576 173.252 174.900 -0.119 0.000 1.450 307 G CA -0.721 44.273 45.100 -0.177 0.000 0.837 307 G HN 0.141 nan 8.290 nan 0.000 0.505 308 I N 1.432 121.951 120.570 -0.086 0.000 2.355 308 I HA 0.541 4.708 4.170 -0.005 0.000 0.288 308 I C 0.654 176.746 176.117 -0.042 0.000 0.999 308 I CA -0.753 60.498 61.300 -0.082 0.000 1.163 308 I CB 1.905 39.861 38.000 -0.073 0.000 1.316 308 I HN 0.614 nan 8.210 nan 0.000 0.454 309 A N 6.914 129.695 122.820 -0.064 0.000 2.328 309 A HA 0.703 5.020 4.320 -0.005 0.000 0.284 309 A C -0.182 177.371 177.584 -0.053 0.000 1.160 309 A CA -0.423 51.615 52.037 0.003 0.000 0.818 309 A CB 0.707 19.704 19.000 -0.005 0.000 1.087 309 A HN 0.620 nan 8.150 nan 0.000 0.504 310 V N 0.871 120.780 119.914 -0.009 0.000 2.864 310 V HA 0.620 4.737 4.120 -0.005 0.000 0.314 310 V C -0.361 175.817 176.094 0.140 0.000 1.073 310 V CA -0.802 61.498 62.300 -0.001 0.000 0.956 310 V CB 1.329 33.152 31.823 -0.000 0.000 1.023 310 V HN 0.913 nan 8.190 nan 0.000 0.435 311 H N 1.671 120.690 119.070 -0.084 0.000 2.533 311 H HA 0.407 4.960 4.556 -0.005 0.000 0.343 311 H C -1.420 174.017 175.328 0.181 0.000 1.160 311 H CA -0.581 55.435 56.048 -0.053 0.000 1.218 311 H CB 1.872 31.562 29.762 -0.119 0.000 1.566 311 H HN 0.704 nan 8.280 nan 0.000 0.522 312 W N 3.636 124.954 121.300 0.029 0.000 2.296 312 W HA 0.115 4.772 4.660 -0.006 0.000 0.333 312 W C -0.377 176.241 176.519 0.164 0.000 0.931 312 W CA -0.650 56.712 57.345 0.029 0.000 1.538 312 W CB -0.607 28.837 29.460 -0.027 0.000 1.417 312 W HN 0.648 nan 8.180 nan 0.000 0.380 313 Y N 1.232 121.604 120.300 0.119 0.000 2.972 313 Y HA 0.302 4.849 4.550 -0.005 0.000 0.211 313 Y C 1.529 177.434 175.900 0.008 0.000 0.969 313 Y CA 0.357 58.522 58.100 0.108 0.000 1.574 313 Y CB -0.211 38.344 38.460 0.159 0.000 1.364 313 Y HN -0.068 nan 8.280 nan 0.000 0.467 314 L N 2.677 123.479 121.223 -0.702 0.000 3.597 314 L HA -0.293 4.044 4.340 -0.005 0.000 0.440 314 L C -0.766 175.819 176.870 -0.476 0.000 1.277 314 L CA 1.070 55.575 54.840 -0.559 0.000 0.852 314 L CB -1.451 40.579 42.059 -0.049 0.000 1.708 314 L HN 0.563 nan 8.230 nan 0.000 0.885 315 D N -0.831 119.104 120.400 -0.775 0.000 2.097 315 D HA 0.039 4.676 4.640 -0.005 0.000 0.325 315 D C 1.630 177.744 176.300 -0.308 0.000 1.087 315 D CA 0.857 54.630 54.000 -0.378 0.000 0.917 315 D CB -0.228 40.452 40.800 -0.200 0.000 1.784 315 D HN 0.388 nan 8.370 nan 0.000 0.532 316 F N 1.444 121.383 119.950 -0.020 0.000 2.126 316 F HA -0.101 4.423 4.527 -0.005 0.000 0.299 316 F C 2.035 177.834 175.800 -0.002 0.000 1.096 316 F CA 0.545 58.539 58.000 -0.010 0.000 1.255 316 F CB -1.048 37.949 39.000 -0.005 0.000 0.997 316 F HN -0.142 nan 8.300 nan 0.000 0.479 317 L N 0.223 121.352 121.223 -0.158 0.000 2.450 317 L HA 0.094 4.431 4.340 -0.005 0.000 0.225 317 L C 0.886 177.723 176.870 -0.055 0.000 1.145 317 L CA 0.638 55.439 54.840 -0.065 0.000 0.801 317 L CB -1.611 40.356 42.059 -0.153 0.000 0.924 317 L HN 0.423 nan 8.230 nan 0.000 0.447 318 A N -1.452 121.320 122.820 -0.080 0.000 2.517 318 A HA 0.682 4.999 4.320 -0.005 0.000 0.297 318 A C -2.645 174.897 177.584 -0.070 0.000 1.050 318 A CA -1.000 50.998 52.037 -0.065 0.000 0.694 318 A CB 1.046 20.000 19.000 -0.077 0.000 1.277 318 A HN -0.146 nan 8.150 nan 0.000 0.400 319 P HA 0.364 nan 4.420 nan 0.000 0.274 319 P C 0.832 178.028 177.300 -0.174 0.000 1.237 319 P CA 0.310 63.354 63.100 -0.093 0.000 0.793 319 P CB 1.240 32.896 31.700 -0.072 0.000 0.977 320 A N 1.902 124.555 122.820 -0.279 0.000 1.968 320 A HA -0.142 4.175 4.320 -0.005 0.000 0.217 320 A C 2.216 179.410 177.584 -0.651 0.000 1.169 320 A CA 1.606 53.370 52.037 -0.455 0.000 0.638 320 A CB -0.938 17.739 19.000 -0.539 0.000 0.812 320 A HN 0.616 nan 8.150 nan 0.000 0.446 321 K N 0.030 120.022 120.400 -0.680 0.000 2.057 321 K HA -0.032 4.285 4.320 -0.005 0.000 0.207 321 K C 1.928 178.422 176.600 -0.177 0.000 1.049 321 K CA 1.243 57.251 56.287 -0.464 0.000 0.931 321 K CB -0.334 32.053 32.500 -0.189 0.000 0.714 321 K HN 0.317 nan 8.250 nan 0.000 0.440 322 A N 0.142 122.883 122.820 -0.131 0.000 2.172 322 A HA -0.094 4.223 4.320 -0.005 0.000 0.216 322 A C 1.755 179.316 177.584 -0.038 0.000 1.154 322 A CA 1.881 53.884 52.037 -0.056 0.000 0.701 322 A CB -0.520 18.456 19.000 -0.041 0.000 0.789 322 A HN 0.670 nan 8.150 nan 0.000 0.465 323 T N -3.565 110.944 114.554 -0.075 0.000 3.447 323 T HA 0.207 4.554 4.350 -0.005 0.000 0.218 323 T C 1.685 176.385 174.700 -0.000 0.000 0.972 323 T CA 0.453 62.533 62.100 -0.033 0.000 1.264 323 T CB -0.649 68.185 68.868 -0.057 0.000 1.284 323 T HN 0.078 nan 8.240 nan 0.000 0.361 324 L N 1.601 122.805 121.223 -0.031 0.000 2.079 324 L HA 0.132 4.469 4.340 -0.005 0.000 0.210 324 L C 3.007 179.967 176.870 0.150 0.000 1.081 324 L CA 1.680 56.551 54.840 0.051 0.000 0.752 324 L CB -0.952 41.132 42.059 0.041 0.000 0.896 324 L HN 0.607 nan 8.230 nan 0.000 0.433 325 G N -0.571 108.268 108.800 0.065 0.000 2.396 325 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.214 325 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.214 325 G C 1.505 176.522 174.900 0.195 0.000 1.166 325 G CA 0.501 45.738 45.100 0.228 0.000 0.793 325 G HN 0.276 nan 8.290 nan 0.000 0.533 326 E N 0.465 120.726 120.200 0.102 0.000 2.152 326 E HA -0.020 4.327 4.350 -0.005 0.000 0.192 326 E C 2.537 179.200 176.600 0.105 0.000 0.983 326 E CA 1.284 57.734 56.400 0.084 0.000 0.818 326 E CB -0.421 29.312 29.700 0.055 0.000 0.758 326 E HN 0.307 nan 8.360 nan 0.000 0.467 327 T N -0.284 114.358 114.554 0.147 0.000 2.857 327 T HA -0.124 4.223 4.350 -0.005 0.000 0.266 327 T C 1.603 176.437 174.700 0.224 0.000 1.048 327 T CA 1.196 63.426 62.100 0.217 0.000 1.139 327 T CB -0.442 68.533 68.868 0.179 0.000 0.874 327 T HN 0.386 nan 8.240 nan 0.000 0.455 328 H N 1.492 120.597 119.070 0.059 0.000 2.293 328 H HA -0.029 4.524 4.556 -0.005 0.000 0.300 328 H C 2.660 177.944 175.328 -0.074 0.000 1.082 328 H CA 1.621 57.629 56.048 -0.066 0.000 1.308 328 H CB -0.044 29.491 29.762 -0.379 0.000 1.375 328 H HN 0.187 nan 8.280 nan 0.000 0.495 329 R N 0.324 120.756 120.500 -0.114 0.000 2.115 329 R HA -0.177 4.160 4.340 -0.005 0.000 0.239 329 R C 2.853 179.001 176.300 -0.254 0.000 1.133 329 R CA 2.028 58.029 56.100 -0.166 0.000 0.935 329 R CB -0.353 29.922 30.300 -0.041 0.000 0.853 329 R HN 0.338 nan 8.270 nan 0.000 0.433 330 L N -0.757 120.315 121.223 -0.252 0.000 2.079 330 L HA -0.147 4.190 4.340 -0.005 0.000 0.210 330 L C 0.333 176.610 176.870 -0.989 0.000 1.081 330 L CA 1.106 55.586 54.840 -0.600 0.000 0.752 330 L CB -0.025 41.678 42.059 -0.593 0.000 0.896 330 L HN 0.160 nan 8.230 nan 0.000 0.433 331 F N -1.465 118.411 119.950 -0.124 0.000 2.769 331 F HA 0.302 4.826 4.527 -0.005 0.000 0.358 331 F C -1.996 173.688 175.800 -0.194 0.000 1.285 331 F CA -1.666 56.262 58.000 -0.120 0.000 1.199 331 F CB 0.319 39.278 39.000 -0.068 0.000 1.558 331 F HN -0.193 nan 8.300 nan 0.000 0.583 332 P HA 0.059 nan 4.420 nan 0.000 0.249 332 P C 0.324 177.550 177.300 -0.123 0.000 1.229 332 P CA 0.688 63.520 63.100 -0.447 0.000 0.788 332 P CB 0.309 31.682 31.700 -0.545 0.000 1.072 333 N N -0.818 117.873 118.700 -0.016 0.000 2.204 333 N HA 0.075 4.812 4.740 -0.005 0.000 0.219 333 N C -0.257 175.267 175.510 0.023 0.000 1.151 333 N CA 0.325 53.389 53.050 0.023 0.000 0.867 333 N CB 0.555 39.053 38.487 0.018 0.000 1.043 333 N HN 0.059 nan 8.380 nan 0.000 0.516 334 T N 1.966 116.543 114.554 0.039 0.000 2.758 334 T HA 0.385 4.732 4.350 -0.005 0.000 0.285 334 T C 0.616 175.313 174.700 -0.004 0.000 0.981 334 T CA -0.778 61.312 62.100 -0.017 0.000 0.965 334 T CB 1.292 70.142 68.868 -0.030 0.000 0.927 334 T HN 0.070 nan 8.240 nan 0.000 0.448 335 M N 2.820 122.363 119.600 -0.094 0.000 2.240 335 M HA 0.502 4.979 4.480 -0.005 0.000 0.333 335 M C -0.948 175.352 176.300 0.001 0.000 1.110 335 M CA 0.021 55.301 55.300 -0.033 0.000 1.173 335 M CB -0.126 32.432 32.600 -0.070 0.000 1.458 335 M HN 0.393 nan 8.290 nan 0.000 0.458 336 L N 2.707 123.951 121.223 0.035 0.000 2.307 336 L HA 0.663 5.000 4.340 -0.005 0.000 0.284 336 L C -1.215 175.649 176.870 -0.011 0.000 1.023 336 L CA -0.302 54.548 54.840 0.018 0.000 0.810 336 L CB 1.209 43.284 42.059 0.025 0.000 1.231 336 L HN 0.782 nan 8.230 nan 0.000 0.423 337 F N 2.365 122.194 119.950 -0.201 0.000 2.556 337 F HA 0.696 5.220 4.527 -0.005 0.000 0.314 337 F C -0.306 175.281 175.800 -0.356 0.000 1.106 337 F CA -0.710 57.111 58.000 -0.299 0.000 0.911 337 F CB 1.744 40.665 39.000 -0.132 0.000 1.190 337 F HN 0.408 nan 8.300 nan 0.000 0.448 338 A N 3.311 125.362 122.820 -1.283 0.000 2.294 338 A HA 0.443 4.760 4.320 -0.005 0.000 0.316 338 A C 0.503 177.614 177.584 -0.788 0.000 1.359 338 A CA 0.207 51.728 52.037 -0.860 0.000 0.956 338 A CB -0.088 18.346 19.000 -0.943 0.000 1.155 338 A HN 0.935 nan 8.150 nan 0.000 0.544 339 S N 1.368 116.928 115.700 -0.234 0.000 2.501 339 S HA 0.120 4.587 4.470 -0.005 0.000 0.220 339 S C 0.425 174.851 174.600 -0.290 0.000 0.997 339 S CA 0.568 58.763 58.200 -0.009 0.000 0.919 339 S CB 0.094 63.406 63.200 0.187 0.000 0.778 339 S HN 0.736 nan 8.310 nan 0.000 0.523 340 E N 0.367 120.218 120.200 -0.581 0.000 2.361 340 E HA 0.567 4.914 4.350 -0.005 0.000 0.270 340 E C -1.669 174.455 176.600 -0.792 0.000 0.911 340 E CA -0.404 55.512 56.400 -0.805 0.000 0.818 340 E CB 1.720 30.563 29.700 -1.428 0.000 1.332 340 E HN 0.384 nan 8.360 nan 0.000 0.402 341 A N 3.328 125.679 122.820 -0.782 0.000 2.249 341 A HA 0.597 4.914 4.320 -0.005 0.000 0.314 341 A C -0.831 176.502 177.584 -0.417 0.000 1.290 341 A CA -0.415 50.973 52.037 -1.081 0.000 0.893 341 A CB 0.660 18.764 19.000 -1.494 0.000 1.165 341 A HN 0.624 nan 8.150 nan 0.000 0.530 342 C N 1.989 121.260 119.300 -0.048 0.000 2.880 342 C HA 0.813 5.270 4.460 -0.005 0.000 0.320 342 C C -0.794 174.417 174.990 0.368 0.000 1.176 342 C CA -0.207 58.933 59.018 0.203 0.000 1.390 342 C CB 1.369 29.228 27.740 0.199 0.000 1.846 342 C HN 1.003 nan 8.230 nan 0.000 0.478 343 V N 3.357 123.491 119.914 0.367 0.000 3.147 343 V HA 0.884 5.001 4.120 -0.005 0.000 0.299 343 V C 0.214 176.434 176.094 0.210 0.000 1.302 343 V CA 0.885 63.370 62.300 0.308 0.000 1.015 343 V CB 2.063 34.105 31.823 0.364 0.000 1.086 343 V HN 1.549 nan 8.190 nan 0.000 0.437 344 G N 2.727 111.598 108.800 0.119 0.000 2.276 344 G HA2 -0.104 3.853 3.960 -0.005 0.000 0.177 344 G HA3 -0.104 3.853 3.960 -0.005 0.000 0.177 344 G C 0.385 175.319 174.900 0.056 0.000 1.017 344 G CA 0.746 45.878 45.100 0.053 0.000 0.750 344 G HN 1.468 nan 8.290 nan 0.000 0.506 345 S N 0.737 116.459 115.700 0.037 0.000 2.116 345 S HA 0.247 4.714 4.470 -0.005 0.000 0.173 345 S C 0.864 175.361 174.600 -0.172 0.000 1.419 345 S CA 0.972 59.164 58.200 -0.013 0.000 2.163 345 S CB -0.369 62.798 63.200 -0.055 0.000 0.340 345 S HN 0.732 nan 8.310 nan 0.000 0.358 346 K N 1.983 122.189 120.400 -0.323 0.000 5.073 346 K HA -0.193 4.124 4.320 -0.005 0.000 0.322 346 K C 0.712 176.760 176.600 -0.920 0.000 0.716 346 K CA 0.433 56.276 56.287 -0.740 0.000 0.891 346 K CB -1.404 30.390 32.500 -1.178 0.000 2.014 346 K HN 0.567 nan 8.250 nan 0.000 0.363 347 F N 0.982 120.710 119.950 -0.370 0.000 2.167 347 F HA -0.255 4.269 4.527 -0.004 0.000 0.301 347 F C 1.429 177.202 175.800 -0.046 0.000 1.066 347 F CA 0.979 58.918 58.000 -0.102 0.000 1.285 347 F CB -0.594 38.453 39.000 0.078 0.000 1.032 347 F HN 0.521 nan 8.300 nan 0.000 0.495 348 W N 1.517 122.512 121.300 -0.508 0.000 3.377 348 W HA 0.434 5.091 4.660 -0.005 0.000 0.277 348 W C -0.339 176.105 176.519 -0.126 0.000 1.311 348 W CA -0.527 56.643 57.345 -0.291 0.000 1.703 348 W CB -1.409 27.736 29.460 -0.525 0.000 1.095 348 W HN 0.208 nan 8.180 nan 0.000 0.715 349 E N 1.263 121.276 120.200 -0.313 0.000 2.227 349 E HA 0.123 4.470 4.350 -0.005 0.000 0.268 349 E C -0.162 176.381 176.600 -0.095 0.000 0.907 349 E CA -0.752 55.505 56.400 -0.239 0.000 0.786 349 E CB 2.060 31.449 29.700 -0.518 0.000 1.191 349 E HN -0.160 nan 8.360 nan 0.000 0.411 350 Q N 1.097 120.878 119.800 -0.031 0.000 2.386 350 Q HA -0.043 4.294 4.340 -0.005 0.000 0.282 350 Q C 1.089 177.067 176.000 -0.037 0.000 1.050 350 Q CA 0.473 56.276 55.803 0.000 0.000 0.918 350 Q CB 0.991 29.747 28.738 0.029 0.000 1.266 350 Q HN 0.786 nan 8.270 nan 0.000 0.423 351 S N 1.756 117.462 115.700 0.009 0.000 2.348 351 S HA -0.082 4.385 4.470 -0.005 0.000 0.221 351 S C 0.843 175.419 174.600 -0.040 0.000 1.033 351 S CA 0.815 59.021 58.200 0.009 0.000 1.010 351 S CB 0.014 63.248 63.200 0.057 0.000 0.891 351 S HN 0.383 nan 8.310 nan 0.000 0.442 352 V N 2.794 122.681 119.914 -0.045 0.000 2.383 352 V HA 0.447 4.564 4.120 -0.005 0.000 0.275 352 V C 0.070 176.070 176.094 -0.156 0.000 1.036 352 V CA -0.616 61.634 62.300 -0.084 0.000 0.889 352 V CB 1.090 32.878 31.823 -0.059 0.000 0.985 352 V HN 0.358 nan 8.190 nan 0.000 0.459 353 R N 4.979 125.324 120.500 -0.258 0.000 2.287 353 R HA 0.442 4.779 4.340 -0.005 0.000 0.316 353 R C -0.773 175.320 176.300 -0.345 0.000 1.050 353 R CA -0.616 55.161 56.100 -0.539 0.000 0.983 353 R CB 1.112 30.903 30.300 -0.849 0.000 1.140 353 R HN 0.631 nan 8.270 nan 0.000 0.528 354 L N 2.898 124.016 121.223 -0.175 0.000 2.742 354 L HA 0.004 4.341 4.340 -0.005 0.000 0.275 354 L C 1.130 178.082 176.870 0.136 0.000 1.141 354 L CA 0.786 55.547 54.840 -0.132 0.000 0.987 354 L CB 0.291 41.980 42.059 -0.618 0.000 1.319 354 L HN 1.036 nan 8.230 nan 0.000 0.478 355 G N 2.021 110.886 108.800 0.108 0.000 2.140 355 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.211 355 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.211 355 G C 0.231 175.265 174.900 0.224 0.000 1.013 355 G CA 0.117 45.347 45.100 0.217 0.000 0.705 355 G HN 0.674 nan 8.290 nan 0.000 0.508 356 S N 0.138 115.899 115.700 0.102 0.000 2.405 356 S HA 0.307 4.774 4.470 -0.005 0.000 0.291 356 S C 1.190 175.875 174.600 0.142 0.000 1.137 356 S CA 0.283 58.532 58.200 0.081 0.000 1.061 356 S CB 0.083 63.216 63.200 -0.112 0.000 1.001 356 S HN 0.567 nan 8.310 nan 0.000 0.507 357 W N 4.521 125.831 121.300 0.018 0.000 2.392 357 W HA -0.149 4.508 4.660 -0.005 0.000 0.279 357 W C 0.968 177.466 176.519 -0.035 0.000 1.225 357 W CA 1.582 58.941 57.345 0.024 0.000 1.233 357 W CB -0.217 29.257 29.460 0.023 0.000 1.122 357 W HN 0.857 nan 8.180 nan 0.000 0.561 358 D N -0.225 120.219 120.400 0.073 0.000 2.144 358 D HA -0.174 4.463 4.640 -0.005 0.000 0.199 358 D C 2.293 178.536 176.300 -0.095 0.000 0.984 358 D CA 1.656 55.653 54.000 -0.005 0.000 0.834 358 D CB 0.012 40.831 40.800 0.032 0.000 0.955 358 D HN 0.049 nan 8.370 nan 0.000 0.465 359 R N -0.482 119.959 120.500 -0.098 0.000 2.148 359 R HA 0.069 4.406 4.340 -0.005 0.000 0.223 359 R C 2.345 178.564 176.300 -0.136 0.000 1.088 359 R CA 0.900 56.962 56.100 -0.063 0.000 0.985 359 R CB -0.221 30.051 30.300 -0.046 0.000 0.880 359 R HN 0.163 nan 8.270 nan 0.000 0.451 360 G N 1.384 109.952 108.800 -0.387 0.000 2.453 360 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.215 360 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.215 360 G C 1.452 175.727 174.900 -1.042 0.000 1.201 360 G CA 0.651 45.258 45.100 -0.822 0.000 0.784 360 G HN 0.119 nan 8.290 nan 0.000 0.545 361 M N 0.143 119.162 119.600 -0.968 0.000 2.108 361 M HA -0.204 4.273 4.480 -0.005 0.000 0.257 361 M C 2.791 179.052 176.300 -0.065 0.000 1.071 361 M CA 1.740 56.811 55.300 -0.381 0.000 1.093 361 M CB -0.459 32.053 32.600 -0.148 0.000 1.345 361 M HN 0.318 nan 8.290 nan 0.000 0.403 362 Q N -0.865 118.921 119.800 -0.024 0.000 2.084 362 Q HA -0.190 4.147 4.340 -0.005 0.000 0.202 362 Q C 1.881 177.983 176.000 0.171 0.000 0.978 362 Q CA 1.606 57.465 55.803 0.092 0.000 0.844 362 Q CB -0.279 28.523 28.738 0.108 0.000 0.898 362 Q HN 0.475 nan 8.270 nan 0.000 0.426 363 Y N 1.044 121.378 120.300 0.056 0.000 2.030 363 Y HA -0.323 4.224 4.550 -0.005 0.000 0.274 363 Y C 2.971 178.923 175.900 0.087 0.000 1.153 363 Y CA 1.790 60.001 58.100 0.186 0.000 1.115 363 Y CB -0.753 37.798 38.460 0.152 0.000 0.969 363 Y HN 0.213 nan 8.280 nan 0.000 0.488 364 S N -0.931 114.931 115.700 0.270 0.000 2.356 364 S HA -0.302 4.165 4.470 -0.005 0.000 0.223 364 S C 2.092 176.725 174.600 0.055 0.000 1.032 364 S CA 1.515 59.849 58.200 0.224 0.000 1.005 364 S CB -1.159 62.404 63.200 0.604 0.000 0.867 364 S HN 0.661 nan 8.310 nan 0.000 0.449 365 H N 1.479 120.570 119.070 0.035 0.000 2.357 365 H HA -0.116 4.436 4.556 -0.005 0.000 0.296 365 H C 2.218 177.453 175.328 -0.155 0.000 1.108 365 H CA 1.957 57.990 56.048 -0.024 0.000 1.273 365 H CB -0.517 29.236 29.762 -0.015 0.000 1.367 365 H HN 0.611 nan 8.280 nan 0.000 0.498 366 S N -0.590 114.896 115.700 -0.357 0.000 2.527 366 S HA 0.058 4.525 4.470 -0.005 0.000 0.222 366 S C 2.199 176.388 174.600 -0.686 0.000 0.985 366 S CA 0.228 58.011 58.200 -0.695 0.000 0.921 366 S CB -0.150 62.435 63.200 -1.025 0.000 0.772 366 S HN 0.436 nan 8.310 nan 0.000 0.529 367 I N 0.792 121.056 120.570 -0.510 0.000 2.400 367 I HA 0.011 4.178 4.170 -0.005 0.000 0.248 367 I C 2.094 177.917 176.117 -0.491 0.000 1.109 367 I CA 0.665 61.587 61.300 -0.629 0.000 1.425 367 I CB -0.206 37.066 38.000 -1.215 0.000 1.094 367 I HN 0.283 nan 8.210 nan 0.000 0.425 368 I N 0.574 120.911 120.570 -0.387 0.000 2.151 368 I HA -0.339 3.828 4.170 -0.005 0.000 0.243 368 I C 2.472 178.488 176.117 -0.169 0.000 1.080 368 I CA 1.745 62.953 61.300 -0.154 0.000 1.339 368 I CB -0.604 37.369 38.000 -0.045 0.000 1.039 368 I HN 0.246 nan 8.210 nan 0.000 0.409 369 T N 0.112 114.504 114.554 -0.270 0.000 2.857 369 T HA -0.110 4.237 4.350 -0.005 0.000 0.266 369 T C 1.737 176.434 174.700 -0.005 0.000 1.048 369 T CA 1.076 63.073 62.100 -0.172 0.000 1.139 369 T CB -0.325 68.363 68.868 -0.299 0.000 0.874 369 T HN 0.352 nan 8.240 nan 0.000 0.455 370 N N 0.896 119.600 118.700 0.007 0.000 2.104 370 N HA -0.034 4.703 4.740 -0.005 0.000 0.190 370 N C 1.885 177.539 175.510 0.240 0.000 1.024 370 N CA 1.029 54.209 53.050 0.216 0.000 0.853 370 N CB -0.203 38.653 38.487 0.615 0.000 1.008 370 N HN 0.310 nan 8.380 nan 0.000 0.424 371 L N 1.073 122.427 121.223 0.219 0.000 2.083 371 L HA -0.112 4.225 4.340 -0.005 0.000 0.209 371 L C 2.099 178.905 176.870 -0.107 0.000 1.083 371 L CA 0.749 55.680 54.840 0.151 0.000 0.752 371 L CB -0.215 41.912 42.059 0.114 0.000 0.899 371 L HN 0.178 nan 8.230 nan 0.000 0.433 372 L N -1.789 119.292 121.223 -0.236 0.000 2.465 372 L HA -0.166 4.171 4.340 -0.005 0.000 0.224 372 L C 0.705 177.021 176.870 -0.923 0.000 1.145 372 L CA 0.783 55.286 54.840 -0.561 0.000 0.834 372 L CB -0.183 41.545 42.059 -0.552 0.000 0.944 372 L HN 0.257 nan 8.230 nan 0.000 0.451 373 Y N -1.271 118.828 120.300 -0.335 0.000 2.713 373 Y HA 0.226 4.773 4.550 -0.005 0.000 0.269 373 Y C 0.408 176.147 175.900 -0.269 0.000 1.106 373 Y CA -0.545 57.323 58.100 -0.386 0.000 1.174 373 Y CB -0.080 38.300 38.460 -0.133 0.000 1.186 373 Y HN 0.174 nan 8.280 nan 0.000 0.555 374 H N -3.101 115.925 119.070 -0.073 0.000 3.434 374 H HA -0.133 4.419 4.556 -0.005 0.000 0.191 374 H C -0.002 175.281 175.328 -0.076 0.000 1.037 374 H CA 0.406 56.369 56.048 -0.142 0.000 1.187 374 H CB -1.639 27.915 29.762 -0.347 0.000 1.080 374 H HN 0.054 nan 8.280 nan 0.000 0.338 375 V N 2.964 122.894 119.914 0.027 0.000 2.572 375 V HA 0.029 4.145 4.120 -0.005 0.000 0.291 375 V C 2.040 178.001 176.094 -0.222 0.000 1.039 375 V CA 0.780 62.981 62.300 -0.164 0.000 1.055 375 V CB 1.480 33.106 31.823 -0.328 0.000 0.969 375 V HN 0.353 nan 8.190 nan 0.000 0.482 376 V N 1.934 121.701 119.914 -0.245 0.000 3.506 376 V HA 0.606 4.723 4.120 -0.005 0.000 0.263 376 V C 0.739 176.707 176.094 -0.210 0.000 1.203 376 V CA 1.045 63.285 62.300 -0.099 0.000 1.133 376 V CB -0.203 31.650 31.823 0.050 0.000 0.802 376 V HN 0.964 nan 8.190 nan 0.000 0.459 377 G N -1.812 106.524 108.800 -0.772 0.000 2.576 377 G HA2 0.480 4.437 3.960 -0.005 0.000 0.290 377 G HA3 0.480 4.437 3.960 -0.005 0.000 0.290 377 G C -2.099 171.721 174.900 -1.801 0.000 1.442 377 G CA -0.746 43.839 45.100 -0.859 0.000 0.792 377 G HN 0.170 nan 8.290 nan 0.000 0.491 378 W N 0.459 121.103 121.300 -1.094 0.000 2.883 378 W HA 0.524 5.181 4.660 -0.005 0.000 0.335 378 W C -0.895 175.238 176.519 -0.644 0.000 1.083 378 W CA -0.638 56.160 57.345 -0.912 0.000 1.233 378 W CB 2.865 31.959 29.460 -0.611 0.000 1.412 378 W HN 0.441 nan 8.180 nan 0.000 0.490 379 T N 2.399 116.716 114.554 -0.396 0.000 2.864 379 T HA 0.038 4.385 4.350 -0.005 0.000 0.310 379 T C -0.110 174.449 174.700 -0.235 0.000 1.040 379 T CA -0.362 61.629 62.100 -0.181 0.000 0.977 379 T CB 0.958 69.839 68.868 0.023 0.000 0.976 379 T HN 0.213 nan 8.240 nan 0.000 0.459 380 D N 1.670 121.984 120.400 -0.144 0.000 2.364 380 D HA 0.002 4.639 4.640 -0.005 0.000 0.236 380 D C 0.643 176.988 176.300 0.076 0.000 1.221 380 D CA -0.215 53.761 54.000 -0.041 0.000 0.891 380 D CB 0.820 41.718 40.800 0.163 0.000 1.190 380 D HN 0.546 nan 8.370 nan 0.000 0.449 381 W N 1.129 122.347 121.300 -0.136 0.000 1.612 381 W HA 0.006 4.663 4.660 -0.005 0.000 0.598 381 W C 0.743 177.172 176.519 -0.150 0.000 1.737 381 W CA -0.732 56.513 57.345 -0.166 0.000 1.901 381 W CB 0.013 29.334 29.460 -0.232 0.000 2.926 381 W HN 0.267 nan 8.180 nan 0.000 0.813 382 N N 2.554 121.057 118.700 -0.329 0.000 2.294 382 N HA -0.129 4.608 4.740 -0.005 0.000 0.263 382 N C 0.862 176.279 175.510 -0.155 0.000 1.281 382 N CA 0.569 53.337 53.050 -0.471 0.000 0.846 382 N CB 0.701 38.698 38.487 -0.816 0.000 1.061 382 N HN 0.345 nan 8.380 nan 0.000 0.478 383 L N 1.072 122.243 121.223 -0.086 0.000 2.083 383 L HA -0.115 4.222 4.340 -0.005 0.000 0.209 383 L C 1.080 178.027 176.870 0.129 0.000 1.083 383 L CA 1.020 55.857 54.840 -0.006 0.000 0.752 383 L CB -0.169 41.885 42.059 -0.008 0.000 0.899 383 L HN 0.581 nan 8.230 nan 0.000 0.433 384 A N -0.661 122.166 122.820 0.011 0.000 2.549 384 A HA 0.760 5.077 4.320 -0.005 0.000 0.297 384 A C -1.179 176.371 177.584 -0.056 0.000 1.061 384 A CA -0.429 51.610 52.037 0.004 0.000 0.690 384 A CB 1.601 20.597 19.000 -0.006 0.000 1.287 384 A HN 0.015 nan 8.150 nan 0.000 0.402 385 L N 1.286 122.490 121.223 -0.031 0.000 2.376 385 L HA 0.460 4.796 4.340 -0.005 0.000 0.258 385 L C -0.063 176.816 176.870 0.015 0.000 1.013 385 L CA -1.143 53.684 54.840 -0.022 0.000 0.822 385 L CB 2.421 44.456 42.059 -0.041 0.000 1.388 385 L HN 0.988 nan 8.230 nan 0.000 0.413 386 N N 0.591 119.309 118.700 0.029 0.000 2.347 386 N HA 0.251 4.988 4.740 -0.005 0.000 0.253 386 N C -2.355 173.178 175.510 0.039 0.000 1.274 386 N CA -1.460 51.614 53.050 0.039 0.000 0.941 386 N CB 0.058 38.569 38.487 0.040 0.000 1.200 386 N HN 0.181 nan 8.380 nan 0.000 0.514 387 P HA -0.044 nan 4.420 nan 0.000 0.222 387 P C 0.313 177.623 177.300 0.018 0.000 1.147 387 P CA 1.166 64.280 63.100 0.022 0.000 0.790 387 P CB 0.183 31.902 31.700 0.031 0.000 0.780 388 E N -1.236 118.983 120.200 0.032 0.000 2.285 388 E HA 0.138 4.485 4.350 -0.005 0.000 0.194 388 E C 1.528 178.153 176.600 0.042 0.000 0.997 388 E CA 0.902 57.324 56.400 0.037 0.000 0.845 388 E CB -0.860 28.864 29.700 0.040 0.000 0.782 388 E HN 0.150 nan 8.360 nan 0.000 0.491 389 G N -0.470 108.355 108.800 0.043 0.000 2.132 389 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.228 389 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.228 389 G C 0.478 175.452 174.900 0.123 0.000 1.000 389 G CA 0.018 45.153 45.100 0.059 0.000 0.693 389 G HN 0.578 nan 8.290 nan 0.000 0.515 390 G N -0.663 108.188 108.800 0.085 0.000 3.075 390 G HA2 0.851 4.808 3.960 -0.005 0.000 0.253 390 G HA3 0.851 4.808 3.960 -0.005 0.000 0.253 390 G C -2.786 172.162 174.900 0.080 0.000 1.353 390 G CA -0.947 44.191 45.100 0.064 0.000 1.051 390 G HN 0.178 nan 8.290 nan 0.000 0.553 391 P HA 0.149 nan 4.420 nan 0.000 0.271 391 P C -1.018 176.230 177.300 -0.087 0.000 1.220 391 P CA -0.080 63.025 63.100 0.009 0.000 0.768 391 P CB 1.038 32.754 31.700 0.027 0.000 0.848 392 N N 3.194 121.789 118.700 -0.176 0.000 2.397 392 N HA 0.104 4.841 4.740 -0.005 0.000 0.291 392 N C 0.462 175.856 175.510 -0.193 0.000 1.065 392 N CA -0.883 51.918 53.050 -0.414 0.000 0.884 392 N CB 1.094 39.154 38.487 -0.711 0.000 1.551 392 N HN 0.468 nan 8.380 nan 0.000 0.487 393 W N 4.172 125.332 121.300 -0.234 0.000 3.077 393 W HA 0.197 4.854 4.660 -0.006 0.000 0.245 393 W C -0.831 175.637 176.519 -0.086 0.000 1.316 393 W CA -0.109 57.162 57.345 -0.123 0.000 1.537 393 W CB -0.591 28.816 29.460 -0.089 0.000 1.131 393 W HN 0.214 nan 8.180 nan 0.000 0.695 394 V N 0.873 120.385 119.914 -0.670 0.000 3.264 394 V HA 0.389 4.506 4.120 -0.005 0.000 0.217 394 V C 0.439 176.365 176.094 -0.280 0.000 1.236 394 V CA 0.426 62.353 62.300 -0.622 0.000 1.287 394 V CB 0.052 31.430 31.823 -0.742 0.000 1.241 394 V HN -0.102 nan 8.190 nan 0.000 0.518 395 R N -0.085 120.295 120.500 -0.199 0.000 2.728 395 R HA 0.299 4.636 4.340 -0.005 0.000 0.259 395 R C -0.309 176.093 176.300 0.170 0.000 1.057 395 R CA -0.368 55.711 56.100 -0.035 0.000 0.908 395 R CB 1.092 31.378 30.300 -0.025 0.000 1.259 395 R HN 0.168 nan 8.270 nan 0.000 0.472 396 N N 2.369 121.191 118.700 0.203 0.000 2.416 396 N HA -0.075 4.662 4.740 -0.005 0.000 0.177 396 N C 1.397 177.117 175.510 0.350 0.000 1.036 396 N CA 1.225 54.411 53.050 0.227 0.000 0.901 396 N CB -0.013 38.540 38.487 0.109 0.000 0.976 396 N HN 0.644 nan 8.380 nan 0.000 0.444 397 F N 0.895 120.916 119.950 0.118 0.000 2.707 397 F HA -0.339 4.185 4.527 -0.004 0.000 0.367 397 F C 0.301 176.228 175.800 0.212 0.000 0.710 397 F CA 0.852 58.960 58.000 0.179 0.000 0.976 397 F CB -1.462 37.683 39.000 0.242 0.000 1.382 397 F HN -0.103 nan 8.300 nan 0.000 0.309 398 V N -2.067 117.683 119.914 -0.273 0.000 2.735 398 V HA 0.576 4.693 4.120 -0.005 0.000 0.310 398 V C -0.133 175.908 176.094 -0.088 0.000 1.061 398 V CA -0.928 61.250 62.300 -0.203 0.000 0.913 398 V CB 1.719 33.330 31.823 -0.353 0.000 1.005 398 V HN 0.186 nan 8.190 nan 0.000 0.428 399 D N 1.496 121.876 120.400 -0.033 0.000 2.398 399 D HA 0.579 5.215 4.640 -0.005 0.000 0.247 399 D C -0.143 176.135 176.300 -0.035 0.000 1.227 399 D CA 0.441 54.422 54.000 -0.032 0.000 0.980 399 D CB 1.876 42.662 40.800 -0.023 0.000 1.106 399 D HN 1.006 nan 8.370 nan 0.000 0.493 400 S N -0.512 115.166 115.700 -0.037 0.000 2.556 400 S HA 0.465 4.932 4.470 -0.005 0.000 0.271 400 S C -2.319 172.279 174.600 -0.003 0.000 1.135 400 S CA -1.183 57.003 58.200 -0.024 0.000 0.858 400 S CB 1.793 64.957 63.200 -0.059 0.000 1.114 400 S HN 0.082 nan 8.310 nan 0.000 0.468 401 P HA 0.138 nan 4.420 nan 0.000 0.219 401 P C -0.330 177.028 177.300 0.096 0.000 1.146 401 P CA 1.144 64.295 63.100 0.084 0.000 0.808 401 P CB 0.047 31.885 31.700 0.230 0.000 0.779 402 I N -0.379 120.246 120.570 0.092 0.000 2.447 402 I HA 0.227 4.394 4.170 -0.005 0.000 0.287 402 I C -0.635 175.519 176.117 0.062 0.000 1.023 402 I CA -0.928 60.395 61.300 0.038 0.000 1.083 402 I CB 2.250 40.211 38.000 -0.065 0.000 1.245 402 I HN -0.305 nan 8.210 nan 0.000 0.434 403 I N 7.225 127.863 120.570 0.114 0.000 2.330 403 I HA 0.305 4.472 4.170 -0.005 0.000 0.289 403 I C 0.096 176.288 176.117 0.126 0.000 1.001 403 I CA -0.687 60.684 61.300 0.119 0.000 1.193 403 I CB 1.639 39.731 38.000 0.154 0.000 1.345 403 I HN 0.119 nan 8.210 nan 0.000 0.461 404 V N 5.881 125.835 119.914 0.068 0.000 2.465 404 V HA 0.192 4.309 4.120 -0.005 0.000 0.279 404 V C 0.153 176.275 176.094 0.046 0.000 1.045 404 V CA -0.395 61.931 62.300 0.043 0.000 0.938 404 V CB 1.659 33.490 31.823 0.015 0.000 0.986 404 V HN 0.595 nan 8.190 nan 0.000 0.467 405 D N 4.752 125.157 120.400 0.009 0.000 2.485 405 D HA 0.213 4.850 4.640 -0.005 0.000 0.229 405 D C 1.229 177.547 176.300 0.029 0.000 1.101 405 D CA -0.550 53.479 54.000 0.048 0.000 0.906 405 D CB 0.760 41.625 40.800 0.109 0.000 1.019 405 D HN 0.366 nan 8.370 nan 0.000 0.516 406 I N 1.861 122.452 120.570 0.034 0.000 2.113 406 I HA -0.270 3.897 4.170 -0.005 0.000 0.242 406 I C 1.881 178.016 176.117 0.030 0.000 1.064 406 I CA 1.958 63.275 61.300 0.028 0.000 1.320 406 I CB -2.448 35.568 38.000 0.027 0.000 1.028 406 I HN 0.393 nan 8.210 nan 0.000 0.406 407 T N -0.594 113.983 114.554 0.038 0.000 2.897 407 T HA -0.180 4.167 4.350 -0.005 0.000 0.271 407 T C 1.548 176.271 174.700 0.038 0.000 1.084 407 T CA 1.690 63.814 62.100 0.039 0.000 1.123 407 T CB -0.382 68.515 68.868 0.047 0.000 0.865 407 T HN 0.433 nan 8.240 nan 0.000 0.496 408 K N 0.364 120.787 120.400 0.037 0.000 2.414 408 K HA 0.244 4.561 4.320 -0.005 0.000 0.204 408 K C 0.343 176.946 176.600 0.006 0.000 1.026 408 K CA 0.225 56.529 56.287 0.028 0.000 1.108 408 K CB 0.182 32.710 32.500 0.046 0.000 0.855 408 K HN 0.219 nan 8.250 nan 0.000 0.517 409 D N 1.356 121.763 120.400 0.011 0.000 2.739 409 D HA -0.196 4.441 4.640 -0.005 0.000 0.230 409 D C -0.664 175.636 176.300 -0.000 0.000 1.167 409 D CA 1.471 55.480 54.000 0.015 0.000 0.640 409 D CB -0.612 40.198 40.800 0.017 0.000 1.045 409 D HN 0.400 nan 8.370 nan 0.000 0.421 410 T N -2.031 112.493 114.554 -0.049 0.000 2.924 410 T HA 0.729 5.076 4.350 -0.005 0.000 0.291 410 T C -0.174 174.405 174.700 -0.202 0.000 1.045 410 T CA -0.904 61.093 62.100 -0.172 0.000 1.015 410 T CB 1.580 70.287 68.868 -0.268 0.000 1.103 410 T HN 0.301 nan 8.240 nan 0.000 0.496 411 F N -0.521 119.181 119.950 -0.414 0.000 2.588 411 F HA 0.807 5.331 4.527 -0.005 0.000 0.314 411 F C -1.761 173.701 175.800 -0.563 0.000 1.069 411 F CA -1.803 55.904 58.000 -0.489 0.000 0.931 411 F CB 1.150 39.994 39.000 -0.259 0.000 1.260 411 F HN 0.588 nan 8.300 nan 0.000 0.465 412 Y N 0.740 121.097 120.300 0.095 0.000 2.360 412 Y HA 0.518 5.064 4.550 -0.005 0.000 0.337 412 Y C -0.239 175.674 175.900 0.021 0.000 1.039 412 Y CA -1.085 57.020 58.100 0.009 0.000 1.109 412 Y CB 1.826 40.299 38.460 0.022 0.000 1.201 412 Y HN 0.414 nan 8.280 nan 0.000 0.458 413 K N 3.737 124.200 120.400 0.105 0.000 2.281 413 K HA 0.237 4.554 4.320 -0.005 0.000 0.272 413 K C -0.455 176.245 176.600 0.167 0.000 1.048 413 K CA -0.738 55.513 56.287 -0.061 0.000 0.898 413 K CB 1.044 33.319 32.500 -0.375 0.000 1.128 413 K HN 0.618 nan 8.250 nan 0.000 0.460 414 Q N 2.115 122.001 119.800 0.143 0.000 2.417 414 Q HA 0.045 4.381 4.340 -0.005 0.000 0.241 414 Q C -1.699 174.498 176.000 0.328 0.000 1.008 414 Q CA -1.473 54.447 55.803 0.194 0.000 0.901 414 Q CB 0.311 29.099 28.738 0.083 0.000 1.259 414 Q HN 0.289 nan 8.270 nan 0.000 0.489 415 P HA -0.227 nan 4.420 nan 0.000 0.217 415 P C 1.358 178.831 177.300 0.290 0.000 1.158 415 P CA 1.698 65.046 63.100 0.413 0.000 0.887 415 P CB 0.019 31.884 31.700 0.275 0.000 0.792 416 M N -2.723 116.884 119.600 0.012 0.000 2.124 416 M HA -0.264 4.213 4.480 -0.005 0.000 0.253 416 M C 1.993 178.272 176.300 -0.035 0.000 1.077 416 M CA 2.002 57.191 55.300 -0.184 0.000 1.085 416 M CB -0.870 31.467 32.600 -0.437 0.000 1.320 416 M HN -0.085 nan 8.290 nan 0.000 0.404 417 F N -0.467 119.407 119.950 -0.126 0.000 2.171 417 F HA -0.251 4.273 4.527 -0.005 0.000 0.300 417 F C 1.668 177.327 175.800 -0.234 0.000 1.090 417 F CA 1.589 59.442 58.000 -0.244 0.000 1.293 417 F CB -0.249 38.461 39.000 -0.483 0.000 1.013 417 F HN 0.073 nan 8.300 nan 0.000 0.486 418 Y N -1.090 119.388 120.300 0.296 0.000 2.269 418 Y HA -0.130 4.417 4.550 -0.005 0.000 0.294 418 Y C 2.765 178.805 175.900 0.233 0.000 1.120 418 Y CA 1.535 59.784 58.100 0.248 0.000 1.159 418 Y CB -1.003 37.676 38.460 0.366 0.000 1.024 418 Y HN 0.068 nan 8.280 nan 0.000 0.532 419 H N -0.091 119.146 119.070 0.279 0.000 2.353 419 H HA -0.200 4.353 4.556 -0.005 0.000 0.298 419 H C 2.289 177.821 175.328 0.339 0.000 1.103 419 H CA 1.901 58.100 56.048 0.252 0.000 1.293 419 H CB -0.370 29.451 29.762 0.098 0.000 1.372 419 H HN 0.335 nan 8.280 nan 0.000 0.501 420 L N -0.046 121.361 121.223 0.306 0.000 2.046 420 L HA -0.122 4.215 4.340 -0.005 0.000 0.208 420 L C 2.843 179.754 176.870 0.068 0.000 1.077 420 L CA 1.186 56.156 54.840 0.216 0.000 0.747 420 L CB -0.528 41.625 42.059 0.157 0.000 0.896 420 L HN 0.301 nan 8.230 nan 0.000 0.432 421 G N -2.158 106.579 108.800 -0.104 0.000 2.448 421 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.219 421 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.219 421 G C 1.366 176.173 174.900 -0.155 0.000 1.127 421 G CA 0.280 45.230 45.100 -0.250 0.000 0.766 421 G HN 0.420 nan 8.290 nan 0.000 0.552 422 H N -0.727 118.329 119.070 -0.023 0.000 2.489 422 H HA -0.018 4.535 4.556 -0.005 0.000 0.293 422 H C 1.882 177.016 175.328 -0.324 0.000 1.066 422 H CA 1.128 57.107 56.048 -0.114 0.000 1.305 422 H CB 0.102 29.716 29.762 -0.246 0.000 1.386 422 H HN 0.480 nan 8.280 nan 0.000 0.551 423 F N -0.196 119.709 119.950 -0.076 0.000 2.315 423 F HA -0.063 4.461 4.527 -0.005 0.000 0.284 423 F C 2.831 178.215 175.800 -0.694 0.000 1.049 423 F CA 0.775 58.564 58.000 -0.352 0.000 1.323 423 F CB -0.442 38.263 39.000 -0.491 0.000 1.113 423 F HN 0.008 nan 8.300 nan 0.000 0.544 424 S N -0.007 115.285 115.700 -0.680 0.000 2.428 424 S HA -0.138 4.328 4.470 -0.005 0.000 0.230 424 S C 1.894 176.215 174.600 -0.465 0.000 1.014 424 S CA 0.885 58.607 58.200 -0.797 0.000 0.957 424 S CB -0.458 62.535 63.200 -0.344 0.000 0.784 424 S HN 0.336 nan 8.310 nan 0.000 0.499 425 K N 0.206 120.256 120.400 -0.583 0.000 2.228 425 K HA 0.115 4.432 4.320 -0.005 0.000 0.202 425 K C 0.333 176.363 176.600 -0.949 0.000 1.051 425 K CA 0.915 56.661 56.287 -0.903 0.000 0.960 425 K CB -0.071 31.554 32.500 -1.459 0.000 0.743 425 K HN 0.524 nan 8.250 nan 0.000 0.458 426 F N -0.133 119.646 119.950 -0.285 0.000 2.688 426 F HA 0.314 4.838 4.527 -0.005 0.000 0.310 426 F C 0.095 175.787 175.800 -0.179 0.000 1.098 426 F CA -0.392 57.505 58.000 -0.171 0.000 1.228 426 F CB 0.822 39.729 39.000 -0.154 0.000 1.042 426 F HN -0.187 nan 8.300 nan 0.000 0.557 427 I N 3.095 123.614 120.570 -0.084 0.000 2.750 427 I HA 0.231 4.398 4.170 -0.005 0.000 0.279 427 I C -2.339 173.756 176.117 -0.038 0.000 1.206 427 I CA -2.005 59.255 61.300 -0.066 0.000 1.101 427 I CB 0.609 38.689 38.000 0.132 0.000 1.431 427 I HN -0.214 nan 8.210 nan 0.000 0.551 428 P HA -0.049 nan 4.420 nan 0.000 0.269 428 P C -0.025 177.274 177.300 -0.003 0.000 1.217 428 P CA -0.032 63.026 63.100 -0.071 0.000 0.783 428 P CB 0.773 32.409 31.700 -0.107 0.000 0.898 429 E N 0.101 120.313 120.200 0.019 0.000 2.442 429 E HA 0.168 4.515 4.350 -0.005 0.000 0.262 429 E C 1.131 177.735 176.600 0.008 0.000 1.004 429 E CA 0.880 57.287 56.400 0.012 0.000 0.928 429 E CB -0.573 29.113 29.700 -0.024 0.000 0.937 429 E HN 0.768 nan 8.360 nan 0.000 0.446 430 G N 2.817 111.630 108.800 0.020 0.000 2.234 430 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.235 430 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.235 430 G C 0.191 175.113 174.900 0.037 0.000 0.997 430 G CA 0.128 45.244 45.100 0.027 0.000 0.623 430 G HN 0.607 nan 8.290 nan 0.000 0.514 431 S N 0.503 116.221 115.700 0.030 0.000 2.558 431 S HA 0.420 4.887 4.470 -0.005 0.000 0.288 431 S C 0.220 174.867 174.600 0.078 0.000 1.318 431 S CA 0.536 58.759 58.200 0.038 0.000 1.056 431 S CB 1.510 64.713 63.200 0.004 0.000 0.853 431 S HN 0.718 nan 8.310 nan 0.000 0.505 432 Q N 1.821 121.670 119.800 0.083 0.000 2.312 432 Q HA 0.379 4.716 4.340 -0.005 0.000 0.263 432 Q C -0.371 175.706 176.000 0.127 0.000 0.995 432 Q CA -0.805 55.058 55.803 0.100 0.000 0.853 432 Q CB 0.998 29.780 28.738 0.073 0.000 1.300 432 Q HN 0.589 nan 8.270 nan 0.000 0.448 433 R N 2.510 123.115 120.500 0.176 0.000 2.438 433 R HA 0.407 4.744 4.340 -0.005 0.000 0.287 433 R C -0.660 175.820 176.300 0.300 0.000 1.077 433 R CA -0.083 56.150 56.100 0.222 0.000 1.034 433 R CB 0.718 31.154 30.300 0.226 0.000 0.993 433 R HN 0.562 nan 8.270 nan 0.000 0.459 434 V N 0.728 120.801 119.914 0.265 0.000 3.158 434 V HA 0.778 4.895 4.120 -0.005 0.000 0.311 434 V C 0.160 176.449 176.094 0.325 0.000 1.181 434 V CA -0.684 61.749 62.300 0.223 0.000 1.054 434 V CB 1.489 33.358 31.823 0.077 0.000 1.085 434 V HN 0.842 nan 8.190 nan 0.000 0.446 435 G N 0.174 109.145 108.800 0.285 0.000 2.634 435 G HA2 0.558 4.515 3.960 -0.005 0.000 0.255 435 G HA3 0.558 4.515 3.960 -0.005 0.000 0.255 435 G C -1.068 173.924 174.900 0.153 0.000 1.205 435 G CA -0.186 45.097 45.100 0.305 0.000 0.884 435 G HN 1.404 nan 8.290 nan 0.000 0.549 436 L N 0.720 122.008 121.223 0.110 0.000 2.752 436 L HA 0.333 4.670 4.340 -0.005 0.000 0.257 436 L C -0.370 176.526 176.870 0.044 0.000 0.968 436 L CA -0.613 54.267 54.840 0.067 0.000 0.953 436 L CB 1.685 43.780 42.059 0.060 0.000 1.286 436 L HN 0.555 nan 8.230 nan 0.000 0.443 437 V N 2.480 122.416 119.914 0.037 0.000 2.364 437 V HA 0.895 5.012 4.120 -0.005 0.000 0.272 437 V C 0.944 177.050 176.094 0.021 0.000 1.036 437 V CA -0.408 61.910 62.300 0.030 0.000 0.880 437 V CB 0.985 32.828 31.823 0.033 0.000 0.991 437 V HN 0.926 nan 8.190 nan 0.000 0.460 438 A N 4.082 126.913 122.820 0.018 0.000 2.524 438 A HA 0.377 4.694 4.320 -0.005 0.000 0.250 438 A C 1.583 179.181 177.584 0.023 0.000 1.078 438 A CA 0.429 52.477 52.037 0.018 0.000 0.761 438 A CB 0.201 19.212 19.000 0.018 0.000 1.012 438 A HN 1.650 nan 8.150 nan 0.000 0.500 439 S N 1.482 117.198 115.700 0.027 0.000 2.469 439 S HA -0.057 4.410 4.470 -0.005 0.000 0.238 439 S C 0.652 175.271 174.600 0.032 0.000 0.998 439 S CA 1.201 59.422 58.200 0.036 0.000 0.957 439 S CB -0.449 62.782 63.200 0.050 0.000 0.764 439 S HN 1.156 nan 8.310 nan 0.000 0.514 440 Q N -0.806 119.010 119.800 0.027 0.000 2.756 440 Q HA 0.358 4.695 4.340 -0.005 0.000 0.295 440 Q C -1.653 174.360 176.000 0.022 0.000 0.903 440 Q CA -1.124 54.693 55.803 0.024 0.000 0.768 440 Q CB 0.657 29.409 28.738 0.024 0.000 1.472 440 Q HN 0.072 nan 8.270 nan 0.000 0.416 441 K N 1.152 121.565 120.400 0.021 0.000 2.448 441 K HA 0.110 4.427 4.320 -0.005 0.000 0.278 441 K C -0.691 175.921 176.600 0.019 0.000 1.009 441 K CA 0.839 57.138 56.287 0.021 0.000 0.995 441 K CB 0.207 32.719 32.500 0.020 0.000 0.917 441 K HN 0.763 nan 8.250 nan 0.000 0.481 442 N N 0.896 119.609 118.700 0.020 0.000 3.316 442 N HA 0.217 4.954 4.740 -0.005 0.000 0.300 442 N C -0.947 174.576 175.510 0.022 0.000 1.567 442 N CA -0.684 52.377 53.050 0.018 0.000 0.821 442 N CB 0.852 39.350 38.487 0.017 0.000 1.748 442 N HN 0.297 nan 8.380 nan 0.000 0.603 443 D N -0.657 119.754 120.400 0.019 0.000 2.433 443 D HA 0.237 4.874 4.640 -0.005 0.000 0.211 443 D C -0.123 176.200 176.300 0.038 0.000 1.114 443 D CA 0.088 54.102 54.000 0.025 0.000 0.837 443 D CB 0.637 41.443 40.800 0.010 0.000 0.984 443 D HN 0.331 nan 8.370 nan 0.000 0.505 444 L N 1.580 122.824 121.223 0.035 0.000 2.395 444 L HA 0.215 4.552 4.340 -0.005 0.000 0.269 444 L C 0.162 177.073 176.870 0.069 0.000 1.133 444 L CA -0.349 54.519 54.840 0.046 0.000 0.812 444 L CB 0.796 42.873 42.059 0.029 0.000 1.125 444 L HN -0.288 nan 8.230 nan 0.000 0.452 445 D N 2.287 122.745 120.400 0.097 0.000 2.232 445 D HA 0.578 5.215 4.640 -0.005 0.000 0.242 445 D C -0.387 175.965 176.300 0.087 0.000 1.093 445 D CA -0.050 54.008 54.000 0.097 0.000 0.845 445 D CB 2.027 42.910 40.800 0.138 0.000 1.124 445 D HN 0.577 nan 8.370 nan 0.000 0.467 446 A N 1.596 124.455 122.820 0.064 0.000 2.435 446 A HA 0.708 5.025 4.320 -0.005 0.000 0.304 446 A C -1.196 176.425 177.584 0.061 0.000 1.064 446 A CA -0.798 51.282 52.037 0.072 0.000 0.727 446 A CB 2.117 21.153 19.000 0.061 0.000 1.284 446 A HN 0.368 nan 8.150 nan 0.000 0.415 447 V N 0.562 120.528 119.914 0.087 0.000 2.888 447 V HA 0.835 4.952 4.120 -0.005 0.000 0.309 447 V C -0.453 175.696 176.094 0.092 0.000 1.114 447 V CA 0.140 62.487 62.300 0.079 0.000 0.940 447 V CB 1.885 33.775 31.823 0.111 0.000 1.021 447 V HN 1.915 nan 8.190 nan 0.000 0.426 448 A N 6.057 128.928 122.820 0.085 0.000 2.350 448 A HA 1.007 5.324 4.320 -0.005 0.000 0.324 448 A C -1.528 176.109 177.584 0.089 0.000 1.118 448 A CA -0.494 51.592 52.037 0.081 0.000 0.783 448 A CB 1.479 20.531 19.000 0.086 0.000 1.236 448 A HN 0.894 nan 8.150 nan 0.000 0.457 449 L N 0.438 121.700 121.223 0.066 0.000 2.502 449 L HA 0.726 5.063 4.340 -0.005 0.000 0.253 449 L C -0.473 176.431 176.870 0.057 0.000 1.070 449 L CA -0.283 54.610 54.840 0.088 0.000 0.871 449 L CB 2.006 44.140 42.059 0.124 0.000 1.487 449 L HN 0.812 nan 8.230 nan 0.000 0.408 450 M N 0.117 119.767 119.600 0.082 0.000 2.204 450 M HA 0.469 4.946 4.480 -0.005 0.000 0.293 450 M C -1.032 175.352 176.300 0.140 0.000 0.994 450 M CA -0.248 55.092 55.300 0.067 0.000 0.925 450 M CB 1.328 33.942 32.600 0.024 0.000 1.577 450 M HN 0.545 nan 8.290 nan 0.000 0.439 451 H N 4.284 123.333 119.070 -0.035 0.000 2.822 451 H HA 0.072 4.625 4.556 -0.005 0.000 0.373 451 H C -1.854 173.470 175.328 -0.006 0.000 1.223 451 H CA -1.018 55.030 56.048 -0.000 0.000 1.436 451 H CB 0.398 30.163 29.762 0.005 0.000 1.439 451 H HN 0.523 nan 8.280 nan 0.000 0.618 452 P HA -0.233 nan 4.420 nan 0.000 0.217 452 P C 0.994 178.321 177.300 0.045 0.000 1.162 452 P CA 1.960 65.098 63.100 0.065 0.000 0.901 452 P CB -0.077 31.655 31.700 0.053 0.000 0.793 453 D N -1.368 119.062 120.400 0.049 0.000 2.403 453 D HA -0.014 4.623 4.640 -0.005 0.000 0.227 453 D C 1.249 177.507 176.300 -0.070 0.000 0.995 453 D CA 0.993 54.979 54.000 -0.023 0.000 0.928 453 D CB -1.346 39.421 40.800 -0.055 0.000 0.887 453 D HN 0.315 nan 8.370 nan 0.000 0.529 454 G N -0.307 108.476 108.800 -0.028 0.000 2.143 454 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.248 454 G HA3 -0.292 3.665 3.960 -0.005 0.000 0.248 454 G C 0.363 175.174 174.900 -0.148 0.000 0.991 454 G CA 0.506 45.567 45.100 -0.065 0.000 0.689 454 G HN 0.733 nan 8.290 nan 0.000 0.522 455 S N -0.473 115.096 115.700 -0.218 0.000 2.624 455 S HA 0.784 5.251 4.470 -0.005 0.000 0.263 455 S C 0.538 174.893 174.600 -0.409 0.000 1.287 455 S CA 0.083 58.062 58.200 -0.368 0.000 0.990 455 S CB 2.066 64.983 63.200 -0.472 0.000 0.950 455 S HN 1.803 nan 8.310 nan 0.000 0.561 456 A N 0.270 122.692 122.820 -0.663 0.000 2.312 456 A HA 0.772 5.089 4.320 -0.005 0.000 0.328 456 A C -0.458 176.687 177.584 -0.730 0.000 1.158 456 A CA -0.838 50.696 52.037 -0.838 0.000 0.821 456 A CB 0.991 19.056 19.000 -1.558 0.000 1.170 456 A HN 1.407 nan 8.150 nan 0.000 0.490 457 V N 2.411 122.086 119.914 -0.398 0.000 2.808 457 V HA 0.709 4.826 4.120 -0.005 0.000 0.308 457 V C -1.564 174.485 176.094 -0.075 0.000 1.099 457 V CA -0.359 61.846 62.300 -0.159 0.000 0.920 457 V CB 1.981 33.886 31.823 0.137 0.000 1.014 457 V HN 0.876 nan 8.190 nan 0.000 0.425 458 V N 6.535 126.471 119.914 0.036 0.000 2.569 458 V HA 0.497 4.614 4.120 -0.005 0.000 0.301 458 V C -0.438 175.743 176.094 0.145 0.000 1.044 458 V CA -0.594 61.784 62.300 0.130 0.000 0.874 458 V CB 1.992 33.959 31.823 0.240 0.000 1.002 458 V HN 0.762 nan 8.190 nan 0.000 0.424 459 V N 5.483 125.423 119.914 0.043 0.000 2.439 459 V HA 0.560 4.677 4.120 -0.005 0.000 0.282 459 V C -0.113 176.022 176.094 0.068 0.000 1.039 459 V CA -0.498 61.777 62.300 -0.041 0.000 0.913 459 V CB 1.717 33.326 31.823 -0.356 0.000 0.983 459 V HN 0.598 nan 8.190 nan 0.000 0.460 460 V N 6.025 126.002 119.914 0.104 0.000 2.540 460 V HA 0.541 4.658 4.120 -0.005 0.000 0.302 460 V C -0.573 175.550 176.094 0.048 0.000 1.035 460 V CA -0.608 61.753 62.300 0.101 0.000 0.873 460 V CB 1.822 33.728 31.823 0.138 0.000 0.992 460 V HN 0.686 nan 8.190 nan 0.000 0.428 461 L N 4.326 125.594 121.223 0.075 0.000 2.362 461 L HA 0.671 5.008 4.340 -0.005 0.000 0.275 461 L C -0.433 176.495 176.870 0.097 0.000 0.998 461 L CA -0.032 54.870 54.840 0.103 0.000 0.820 461 L CB 1.866 44.033 42.059 0.182 0.000 1.270 461 L HN 0.609 nan 8.230 nan 0.000 0.415 462 N N 3.598 122.360 118.700 0.103 0.000 2.898 462 N HA 0.284 5.021 4.740 -0.005 0.000 0.245 462 N C -0.115 175.465 175.510 0.117 0.000 1.185 462 N CA -0.275 52.815 53.050 0.067 0.000 0.879 462 N CB 0.457 38.938 38.487 -0.010 0.000 1.157 462 N HN 0.603 nan 8.380 nan 0.000 0.503 463 R N 0.345 120.924 120.500 0.131 0.000 2.526 463 R HA 0.046 4.383 4.340 -0.005 0.000 0.223 463 R C 0.246 176.563 176.300 0.029 0.000 1.250 463 R CA 0.060 56.266 56.100 0.176 0.000 1.227 463 R CB -0.308 30.071 30.300 0.131 0.000 1.109 463 R HN 0.468 nan 8.270 nan 0.000 0.499 464 S N -1.590 113.994 115.700 -0.193 0.000 2.677 464 S HA 0.215 4.682 4.470 -0.005 0.000 0.304 464 S C 1.051 175.187 174.600 -0.774 0.000 1.108 464 S CA -0.678 57.329 58.200 -0.322 0.000 0.944 464 S CB 1.965 65.072 63.200 -0.154 0.000 1.127 464 S HN 0.101 nan 8.310 nan 0.000 0.511 465 S N 0.066 115.434 115.700 -0.553 0.000 2.489 465 S HA 0.145 4.612 4.470 -0.005 0.000 0.228 465 S C 0.299 174.741 174.600 -0.264 0.000 0.995 465 S CA 0.156 58.059 58.200 -0.494 0.000 0.934 465 S CB -0.452 62.698 63.200 -0.083 0.000 0.771 465 S HN 0.621 nan 8.310 nan 0.000 0.522 466 K N 2.336 122.620 120.400 -0.195 0.000 2.164 466 K HA 0.470 4.787 4.320 -0.005 0.000 0.258 466 K C -1.135 175.411 176.600 -0.091 0.000 0.951 466 K CA -0.861 55.365 56.287 -0.102 0.000 0.844 466 K CB 0.456 32.919 32.500 -0.062 0.000 1.099 466 K HN 0.027 nan 8.250 nan 0.000 0.435 467 D N 1.084 121.451 120.400 -0.055 0.000 2.458 467 D HA 0.081 4.718 4.640 -0.005 0.000 0.243 467 D C -0.407 175.874 176.300 -0.032 0.000 1.146 467 D CA 0.045 54.022 54.000 -0.038 0.000 0.877 467 D CB 0.714 41.505 40.800 -0.015 0.000 1.176 467 D HN 0.015 nan 8.370 nan 0.000 0.461 468 V N 5.181 125.076 119.914 -0.032 0.000 2.350 468 V HA 0.266 4.383 4.120 -0.005 0.000 0.285 468 V C -2.158 173.931 176.094 -0.009 0.000 1.014 468 V CA -1.753 60.534 62.300 -0.022 0.000 0.831 468 V CB 1.621 33.428 31.823 -0.026 0.000 1.000 468 V HN 0.388 nan 8.190 nan 0.000 0.433 469 P HA 0.353 nan 4.420 nan 0.000 0.268 469 P C -0.906 176.400 177.300 0.009 0.000 1.205 469 P CA -0.190 62.917 63.100 0.012 0.000 0.771 469 P CB 0.831 32.539 31.700 0.013 0.000 0.858 470 L N 2.405 123.633 121.223 0.008 0.000 2.513 470 L HA 0.501 4.838 4.340 -0.005 0.000 0.261 470 L C -1.030 175.820 176.870 -0.033 0.000 0.945 470 L CA 0.031 54.864 54.840 -0.012 0.000 0.848 470 L CB 2.109 44.151 42.059 -0.029 0.000 1.334 470 L HN 0.264 nan 8.230 nan 0.000 0.407 471 T N 5.253 119.787 114.554 -0.034 0.000 2.855 471 T HA 0.714 5.061 4.350 -0.005 0.000 0.281 471 T C -0.464 174.141 174.700 -0.159 0.000 1.007 471 T CA -0.210 61.842 62.100 -0.080 0.000 1.009 471 T CB 1.366 70.217 68.868 -0.028 0.000 0.983 471 T HN 0.420 nan 8.240 nan 0.000 0.455 472 I N 2.444 122.853 120.570 -0.268 0.000 2.418 472 I HA 0.414 4.581 4.170 -0.005 0.000 0.287 472 I C -0.076 175.802 176.117 -0.397 0.000 1.008 472 I CA -0.727 60.380 61.300 -0.322 0.000 1.104 472 I CB 1.763 39.489 38.000 -0.457 0.000 1.264 472 I HN 0.381 nan 8.210 nan 0.000 0.438 473 K N 5.226 125.401 120.400 -0.375 0.000 2.235 473 K HA 0.302 4.619 4.320 -0.005 0.000 0.266 473 K C -1.145 175.226 176.600 -0.381 0.000 0.980 473 K CA -0.548 55.382 56.287 -0.596 0.000 0.849 473 K CB 1.223 33.297 32.500 -0.709 0.000 1.098 473 K HN 0.425 nan 8.250 nan 0.000 0.445 474 D N 6.209 126.370 120.400 -0.398 0.000 2.392 474 D HA 0.200 4.837 4.640 -0.005 0.000 0.228 474 D C -1.636 174.546 176.300 -0.196 0.000 1.074 474 D CA -2.487 51.432 54.000 -0.136 0.000 0.838 474 D CB 1.818 42.664 40.800 0.077 0.000 1.067 474 D HN 0.345 nan 8.370 nan 0.000 0.511 475 P HA -0.188 nan 4.420 nan 0.000 0.217 475 P C 0.975 178.238 177.300 -0.062 0.000 1.151 475 P CA 1.070 64.101 63.100 -0.116 0.000 0.849 475 P CB 0.214 31.880 31.700 -0.057 0.000 0.787 476 A N -1.140 121.673 122.820 -0.012 0.000 2.066 476 A HA -0.000 4.317 4.320 -0.005 0.000 0.218 476 A C 2.111 179.704 177.584 0.016 0.000 1.157 476 A CA 1.654 53.703 52.037 0.019 0.000 0.670 476 A CB -0.768 18.265 19.000 0.055 0.000 0.804 476 A HN 0.169 nan 8.150 nan 0.000 0.453 477 V N -3.355 116.546 119.914 -0.021 0.000 3.159 477 V HA 0.531 4.648 4.120 -0.005 0.000 0.234 477 V C 1.242 177.287 176.094 -0.081 0.000 1.313 477 V CA 0.667 62.951 62.300 -0.027 0.000 1.271 477 V CB -0.200 31.620 31.823 -0.005 0.000 1.053 477 V HN 0.922 nan 8.190 nan 0.000 0.476 478 G N 0.158 108.839 108.800 -0.200 0.000 2.384 478 G HA2 0.157 4.114 3.960 -0.005 0.000 0.150 478 G HA3 0.157 4.114 3.960 -0.005 0.000 0.150 478 G C -1.751 172.879 174.900 -0.450 0.000 1.269 478 G CA -0.483 44.512 45.100 -0.176 0.000 1.094 478 G HN 0.065 nan 8.290 nan 0.000 0.467 479 F N 0.053 119.894 119.950 -0.181 0.000 2.563 479 F HA 0.776 5.300 4.527 -0.005 0.000 0.316 479 F C 0.024 175.673 175.800 -0.253 0.000 1.076 479 F CA -0.685 57.165 58.000 -0.250 0.000 0.921 479 F CB 2.382 41.249 39.000 -0.221 0.000 1.209 479 F HN 0.401 nan 8.300 nan 0.000 0.462 480 L N 3.519 124.628 121.223 -0.191 0.000 2.324 480 L HA 0.464 4.801 4.340 -0.005 0.000 0.274 480 L C -0.694 176.046 176.870 -0.217 0.000 1.012 480 L CA -0.519 54.133 54.840 -0.313 0.000 0.859 480 L CB 0.365 41.983 42.059 -0.736 0.000 1.224 480 L HN 0.487 nan 8.230 nan 0.000 0.429 481 E N 2.743 122.911 120.200 -0.053 0.000 2.331 481 E HA 0.468 4.814 4.350 -0.005 0.000 0.272 481 E C -0.256 176.339 176.600 -0.008 0.000 1.036 481 E CA -0.029 56.368 56.400 -0.006 0.000 0.864 481 E CB 1.886 31.617 29.700 0.052 0.000 1.035 481 E HN 0.542 nan 8.360 nan 0.000 0.408 482 T N 0.904 115.461 114.554 0.006 0.000 2.676 482 T HA 0.532 4.879 4.350 -0.005 0.000 0.308 482 T C -1.670 173.075 174.700 0.075 0.000 1.740 482 T CA -0.582 61.557 62.100 0.066 0.000 0.982 482 T CB 0.543 69.438 68.868 0.044 0.000 1.724 482 T HN 0.321 nan 8.240 nan 0.000 0.497 483 I N 1.764 122.412 120.570 0.130 0.000 2.582 483 I HA 0.530 4.697 4.170 -0.005 0.000 0.292 483 I C -0.374 175.789 176.117 0.077 0.000 1.066 483 I CA -0.723 60.628 61.300 0.086 0.000 1.053 483 I CB 2.294 40.341 38.000 0.078 0.000 1.241 483 I HN 0.493 nan 8.210 nan 0.000 0.421 484 S N 7.055 122.736 115.700 -0.032 0.000 2.474 484 S HA 0.514 4.981 4.470 -0.005 0.000 0.320 484 S C -2.500 172.029 174.600 -0.118 0.000 1.067 484 S CA -1.595 56.491 58.200 -0.189 0.000 1.127 484 S CB 0.400 63.505 63.200 -0.159 0.000 0.971 484 S HN 0.176 nan 8.310 nan 0.000 0.472 485 P HA 0.137 nan 4.420 nan 0.000 0.268 485 P C 0.398 177.668 177.300 -0.049 0.000 1.208 485 P CA 0.047 63.131 63.100 -0.027 0.000 0.777 485 P CB 0.279 32.001 31.700 0.036 0.000 0.875 486 G N 1.915 110.672 108.800 -0.073 0.000 2.287 486 G HA2 -0.054 3.903 3.960 -0.005 0.000 0.235 486 G HA3 -0.054 3.903 3.960 -0.005 0.000 0.235 486 G C -0.585 174.287 174.900 -0.047 0.000 1.258 486 G CA -0.045 44.943 45.100 -0.187 0.000 0.884 486 G HN 0.617 nan 8.290 nan 0.000 0.518 487 Y N -0.236 120.132 120.300 0.114 0.000 3.125 487 Y HA -0.245 4.302 4.550 -0.005 0.000 0.200 487 Y C 1.181 177.235 175.900 0.256 0.000 1.373 487 Y CA 0.580 58.820 58.100 0.233 0.000 1.180 487 Y CB -1.870 36.584 38.460 -0.010 0.000 1.381 487 Y HN 0.993 nan 8.280 nan 0.000 0.501 488 S N -0.021 115.910 115.700 0.385 0.000 2.595 488 S HA 0.879 5.345 4.470 -0.005 0.000 0.281 488 S C -0.834 173.922 174.600 0.260 0.000 1.117 488 S CA -0.879 57.522 58.200 0.335 0.000 0.873 488 S CB 3.148 66.428 63.200 0.134 0.000 1.108 488 S HN 0.480 nan 8.310 nan 0.000 0.477 489 I N 1.399 122.072 120.570 0.173 0.000 2.478 489 I HA 0.500 4.667 4.170 -0.005 0.000 0.287 489 I C -1.336 174.690 176.117 -0.152 0.000 1.042 489 I CA -0.494 60.719 61.300 -0.145 0.000 1.067 489 I CB 1.389 39.081 38.000 -0.513 0.000 1.233 489 I HN 0.877 nan 8.210 nan 0.000 0.431 490 H N 4.794 123.718 119.070 -0.244 0.000 2.492 490 H HA 0.463 5.016 4.556 -0.005 0.000 0.345 490 H C -0.899 174.322 175.328 -0.179 0.000 1.136 490 H CA -0.931 55.000 56.048 -0.195 0.000 1.202 490 H CB 2.127 31.775 29.762 -0.190 0.000 1.524 490 H HN 0.430 nan 8.280 nan 0.000 0.506 491 T N 3.515 118.017 114.554 -0.087 0.000 2.809 491 T HA 0.250 4.597 4.350 -0.005 0.000 0.284 491 T C -0.918 173.590 174.700 -0.320 0.000 0.992 491 T CA -0.643 61.335 62.100 -0.203 0.000 0.957 491 T CB 0.335 68.970 68.868 -0.388 0.000 0.942 491 T HN 0.314 nan 8.240 nan 0.000 0.439 492 Y N 2.451 122.763 120.300 0.020 0.000 2.420 492 Y HA 0.732 5.279 4.550 -0.005 0.000 0.334 492 Y C -0.001 175.981 175.900 0.136 0.000 1.094 492 Y CA -1.248 56.943 58.100 0.151 0.000 1.126 492 Y CB 1.228 39.842 38.460 0.258 0.000 1.217 492 Y HN 0.401 nan 8.280 nan 0.000 0.462 493 L N 2.735 124.204 121.223 0.410 0.000 2.464 493 L HA 0.574 4.911 4.340 -0.005 0.000 0.266 493 L C -1.455 175.684 176.870 0.448 0.000 0.965 493 L CA -0.670 54.299 54.840 0.215 0.000 0.833 493 L CB 1.727 43.870 42.059 0.139 0.000 1.296 493 L HN 0.797 nan 8.230 nan 0.000 0.405 494 W N 0.252 121.654 121.300 0.171 0.000 3.118 494 W HA 0.619 5.276 4.660 -0.005 0.000 0.328 494 W C -1.054 175.602 176.519 0.230 0.000 1.239 494 W CA -0.857 56.615 57.345 0.212 0.000 1.176 494 W CB 0.380 29.959 29.460 0.198 0.000 1.433 494 W HN 0.270 nan 8.180 nan 0.000 0.562 495 H N 1.635 120.858 119.070 0.255 0.000 2.629 495 H HA 0.381 4.934 4.556 -0.005 0.000 0.357 495 H C 1.078 176.546 175.328 0.233 0.000 1.121 495 H CA -0.152 55.970 56.048 0.123 0.000 1.406 495 H CB 1.415 31.232 29.762 0.091 0.000 1.456 495 H HN 0.480 nan 8.280 nan 0.000 0.579 496 R N 1.112 121.703 120.500 0.151 0.000 2.307 496 R HA 0.152 4.489 4.340 -0.005 0.000 0.200 496 R C -0.051 176.321 176.300 0.119 0.000 0.893 496 R CA 0.266 56.470 56.100 0.173 0.000 1.042 496 R CB 0.667 31.004 30.300 0.061 0.000 1.059 496 R HN 0.649 nan 8.270 nan 0.000 0.530 497 Q N 0.000 119.849 119.800 0.082 0.000 2.315 497 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 497 Q CA 0.000 55.848 55.803 0.075 0.000 1.022 497 Q CB 0.000 28.753 28.738 0.026 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481