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 2wtx_1_C DATA FIRST_RESID 1 DATA SEQUENCE SRLVVVSNRI APXXXXXXXX XGLAVGILGA LKAAGGLWFG WSGETGNXXQ DATA SEQUENCE PLKKVKKGNI TWASFNLSEQ DLDEYYNQFS NAVLWPAFHY RLDLVQFQRP DATA SEQUENCE AWDGYLRVNA LLADKLLPLL QDDDIIWIHD YHLLPFAHEL RKRGVNNRIG DATA SEQUENCE FFLHIPFPTP EIFNALPTYD TLLEQLCDYD LLGFQTENDR LAFLDCLSNL DATA SEQUENCE TRVTTRSAKS HTAWGKAFRT EVYPIGIEPK EIAKQAAGPX XXXXAQLKAE DATA SEQUENCE LKNVQNIFSV ERLDYSKGLP ERFLAYEALL EKYPQHHGKI RYTQIAPTSR DATA SEQUENCE GDVQAYQDIR HQLENEAGRI NGKYGQLGWT PLYYLNQHFD RKLLMKIFRY DATA SEQUENCE SDVGLVTPLR DGMNLVAKEY VAAQDPANPG VLVLSQFAGA ANELTSALIV DATA SEQUENCE NPYDRDEVAA ALDRALTMSL AERISRHAEM LDVIVKNDIN HWQECFISDL DATA SEQUENCE KQIVPR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.603 174.600 0.005 0.000 1.055 1 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 1 S CB 0.000 63.202 63.200 0.003 0.000 0.593 2 R N 0.679 121.186 120.500 0.012 0.000 2.643 2 R HA 0.370 4.710 4.340 0.001 0.000 0.270 2 R C -0.669 175.652 176.300 0.035 0.000 1.061 2 R CA -0.230 55.881 56.100 0.018 0.000 1.107 2 R CB 0.206 30.518 30.300 0.020 0.000 0.999 2 R HN 0.453 nan 8.270 nan 0.000 0.460 3 L N 3.072 124.320 121.223 0.043 0.000 2.275 3 L HA 0.288 4.629 4.340 0.001 0.000 0.288 3 L C -0.959 175.974 176.870 0.104 0.000 1.046 3 L CA -0.306 54.583 54.840 0.081 0.000 0.805 3 L CB 1.769 43.879 42.059 0.085 0.000 1.193 3 L HN 0.247 nan 8.230 nan 0.000 0.426 4 V N 6.110 126.119 119.914 0.157 0.000 2.357 4 V HA 0.484 4.604 4.120 0.001 0.000 0.284 4 V C -0.272 175.990 176.094 0.279 0.000 1.018 4 V CA -0.679 61.738 62.300 0.194 0.000 0.841 4 V CB 1.481 33.411 31.823 0.179 0.000 0.991 4 V HN 0.544 nan 8.190 nan 0.000 0.437 5 V N 5.809 125.884 119.914 0.270 0.000 2.417 5 V HA 0.515 4.636 4.120 0.001 0.000 0.291 5 V C -0.218 176.163 176.094 0.477 0.000 1.024 5 V CA -0.529 61.936 62.300 0.275 0.000 0.861 5 V CB 1.924 33.687 31.823 -0.101 0.000 0.985 5 V HN 0.631 nan 8.190 nan 0.000 0.436 6 V N 4.375 124.560 119.914 0.452 0.000 2.444 6 V HA 0.810 4.931 4.120 0.001 0.000 0.294 6 V C -0.032 176.275 176.094 0.355 0.000 1.022 6 V CA -0.251 62.315 62.300 0.443 0.000 0.850 6 V CB 1.595 33.649 31.823 0.385 0.000 0.992 6 V HN 1.017 nan 8.190 nan 0.000 0.426 7 S N 2.579 118.459 115.700 0.300 0.000 2.607 7 S HA 0.372 4.843 4.470 0.001 0.000 0.273 7 S C 0.601 175.230 174.600 0.048 0.000 1.148 7 S CA -0.502 57.828 58.200 0.216 0.000 0.833 7 S CB 1.743 65.108 63.200 0.275 0.000 1.130 7 S HN 0.605 nan 8.310 nan 0.000 0.470 8 N N 0.691 119.382 118.700 -0.014 0.000 2.061 8 N HA -0.120 4.621 4.740 0.001 0.000 0.193 8 N C 0.055 175.504 175.510 -0.102 0.000 1.030 8 N CA 1.005 53.993 53.050 -0.103 0.000 0.856 8 N CB 0.002 38.192 38.487 -0.495 0.000 1.023 8 N HN 0.559 nan 8.380 nan 0.000 0.424 9 R N 0.202 120.586 120.500 -0.193 0.000 2.807 9 R HA 0.477 4.817 4.340 0.001 0.000 0.276 9 R C -0.453 175.569 176.300 -0.463 0.000 0.979 9 R CA -0.700 55.184 56.100 -0.360 0.000 0.928 9 R CB 2.076 32.159 30.300 -0.361 0.000 1.191 9 R HN 0.149 nan 8.270 nan 0.000 0.471 10 I N -1.725 118.409 120.570 -0.726 0.000 2.863 10 I HA 0.796 4.967 4.170 0.001 0.000 0.311 10 I C -0.497 175.102 176.117 -0.863 0.000 1.026 10 I CA -1.079 59.446 61.300 -1.291 0.000 1.077 10 I CB 2.241 39.383 38.000 -1.430 0.000 1.262 10 I HN 0.572 nan 8.210 nan 0.000 0.461 11 A N 4.499 126.804 122.820 -0.859 0.000 2.399 11 A HA 0.778 5.098 4.320 0.001 0.000 0.327 11 A C -2.617 174.839 177.584 -0.214 0.000 1.367 11 A CA -1.397 50.489 52.037 -0.253 0.000 0.842 11 A CB -0.235 18.819 19.000 0.089 0.000 1.142 11 A HN 0.627 nan 8.150 nan 0.000 0.495 23 L N 0.985 122.156 121.223 -0.088 0.000 2.156 23 L HA 0.138 4.479 4.340 0.001 0.000 0.208 23 L C 3.044 179.831 176.870 -0.138 0.000 1.095 23 L CA 1.939 56.678 54.840 -0.168 0.000 0.770 23 L CB -0.228 41.694 42.059 -0.229 0.000 0.914 23 L HN 0.805 nan 8.230 nan 0.000 0.439 24 A N -0.026 122.767 122.820 -0.045 0.000 1.884 24 A HA -0.290 4.031 4.320 0.001 0.000 0.219 24 A C 2.239 179.793 177.584 -0.050 0.000 1.197 24 A CA 2.714 54.748 52.037 -0.005 0.000 0.637 24 A CB -1.305 17.771 19.000 0.127 0.000 0.827 24 A HN 0.438 nan 8.150 nan 0.000 0.450 25 V N -1.808 118.100 119.914 -0.010 0.000 2.407 25 V HA -0.066 4.055 4.120 0.001 0.000 0.248 25 V C 2.356 178.461 176.094 0.019 0.000 1.055 25 V CA 2.188 64.496 62.300 0.013 0.000 1.049 25 V CB -1.827 30.014 31.823 0.030 0.000 0.662 25 V HN 0.466 nan 8.190 nan 0.000 0.455 26 G N 0.144 108.960 108.800 0.026 0.000 2.394 26 G HA2 -0.155 3.806 3.960 0.001 0.000 0.214 26 G HA3 -0.155 3.806 3.960 0.001 0.000 0.214 26 G C 1.612 176.569 174.900 0.096 0.000 1.176 26 G CA 0.935 46.125 45.100 0.150 0.000 0.786 26 G HN 0.462 nan 8.290 nan 0.000 0.533 27 I N 0.490 120.996 120.570 -0.107 0.000 2.202 27 I HA -0.058 4.113 4.170 0.001 0.000 0.242 27 I C 2.374 178.302 176.117 -0.314 0.000 1.091 27 I CA 1.125 62.215 61.300 -0.349 0.000 1.368 27 I CB -0.425 37.098 38.000 -0.794 0.000 1.058 27 I HN 0.002 nan 8.210 nan 0.000 0.410 28 L N 1.415 122.476 121.223 -0.269 0.000 2.079 28 L HA -0.121 4.219 4.340 0.001 0.000 0.210 28 L C 2.744 179.584 176.870 -0.050 0.000 1.081 28 L CA 1.986 56.745 54.840 -0.135 0.000 0.752 28 L CB -2.354 39.707 42.059 0.003 0.000 0.896 28 L HN 0.319 nan 8.230 nan 0.000 0.433 29 G N -0.730 108.064 108.800 -0.010 0.000 2.459 29 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 29 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 29 G C 1.724 176.642 174.900 0.030 0.000 1.183 29 G CA 1.017 46.134 45.100 0.030 0.000 0.776 29 G HN 0.497 nan 8.290 nan 0.000 0.552 30 A N 0.749 123.598 122.820 0.048 0.000 1.933 30 A HA 0.073 4.394 4.320 0.001 0.000 0.218 30 A C 2.258 179.857 177.584 0.025 0.000 1.175 30 A CA 1.851 53.925 52.037 0.061 0.000 0.628 30 A CB -0.354 18.745 19.000 0.164 0.000 0.814 30 A HN 0.768 nan 8.150 nan 0.000 0.444 31 L N -1.493 119.720 121.223 -0.017 0.000 2.492 31 L HA 0.195 4.536 4.340 0.001 0.000 0.223 31 L C 1.281 178.124 176.870 -0.045 0.000 1.132 31 L CA 1.610 56.424 54.840 -0.043 0.000 0.850 31 L CB -1.139 40.846 42.059 -0.122 0.000 0.966 31 L HN 0.252 nan 8.230 nan 0.000 0.454 32 K N 0.357 120.741 120.400 -0.027 0.000 2.305 32 K HA 0.252 4.573 4.320 0.001 0.000 0.199 32 K C 1.881 178.482 176.600 0.001 0.000 1.047 32 K CA 0.757 57.039 56.287 -0.010 0.000 0.976 32 K CB 0.088 32.593 32.500 0.008 0.000 0.765 32 K HN 0.443 nan 8.250 nan 0.000 0.474 33 A N 0.877 123.699 122.820 0.003 0.000 2.238 33 A HA 0.316 4.637 4.320 0.001 0.000 0.208 33 A C 0.703 178.287 177.584 -0.000 0.000 1.177 33 A CA 0.698 52.738 52.037 0.004 0.000 0.804 33 A CB 0.014 19.017 19.000 0.004 0.000 0.823 33 A HN 0.251 nan 8.150 nan 0.000 0.482 34 A N -2.456 120.362 122.820 -0.003 0.000 2.529 34 A HA 0.758 5.079 4.320 0.001 0.000 0.296 34 A C 0.217 177.794 177.584 -0.011 0.000 1.205 34 A CA -0.089 51.945 52.037 -0.005 0.000 0.671 34 A CB 0.000 18.999 19.000 -0.003 0.000 1.301 34 A HN 0.948 nan 8.150 nan 0.000 0.450 35 G N -2.349 106.444 108.800 -0.013 0.000 3.252 35 G HA2 0.847 4.808 3.960 0.001 0.000 0.181 35 G HA3 0.847 4.808 3.960 0.001 0.000 0.181 35 G C 0.366 175.251 174.900 -0.025 0.000 1.187 35 G CA -0.020 45.062 45.100 -0.029 0.000 0.886 35 G HN 2.361 nan 8.290 nan 0.000 0.615 36 G N -1.640 107.137 108.800 -0.039 0.000 2.233 36 G HA2 0.196 4.157 3.960 0.001 0.000 0.162 36 G HA3 0.196 4.157 3.960 0.001 0.000 0.162 36 G C -1.498 173.382 174.900 -0.035 0.000 1.327 36 G CA -0.204 44.885 45.100 -0.018 0.000 1.187 36 G HN 1.005 nan 8.290 nan 0.000 0.479 37 L N -0.221 121.014 121.223 0.019 0.000 2.365 37 L HA 0.689 5.030 4.340 0.001 0.000 0.273 37 L C -1.346 175.622 176.870 0.163 0.000 1.000 37 L CA -0.858 54.024 54.840 0.071 0.000 0.819 37 L CB 1.981 44.115 42.059 0.125 0.000 1.284 37 L HN 0.695 nan 8.230 nan 0.000 0.418 38 W N 5.934 127.175 121.300 -0.098 0.000 2.338 38 W HA 0.319 4.979 4.660 0.001 0.000 0.315 38 W C -1.455 175.157 176.519 0.154 0.000 1.005 38 W CA -1.536 55.796 57.345 -0.021 0.000 1.380 38 W CB 0.980 30.331 29.460 -0.183 0.000 1.235 38 W HN 0.222 nan 8.180 nan 0.000 0.409 39 F N 5.322 125.464 119.950 0.320 0.000 2.420 39 F HA 0.799 5.326 4.527 0.001 0.000 0.342 39 F C 0.327 176.223 175.800 0.160 0.000 1.113 39 F CA 0.053 58.181 58.000 0.213 0.000 1.059 39 F CB 1.211 40.357 39.000 0.244 0.000 1.128 39 F HN 0.416 nan 8.300 nan 0.000 0.475 40 G N 4.074 112.543 108.800 -0.551 0.000 2.489 40 G HA2 0.200 4.161 3.960 0.001 0.000 0.291 40 G HA3 0.200 4.161 3.960 0.001 0.000 0.291 40 G C -2.463 171.932 174.900 -0.843 0.000 1.487 40 G CA -1.022 43.763 45.100 -0.524 0.000 0.795 40 G HN 0.857 nan 8.290 nan 0.000 0.513 41 W N 1.632 122.287 121.300 -1.076 0.000 2.181 41 W HA 0.414 5.075 4.660 0.001 0.000 0.335 41 W C 1.598 177.585 176.519 -0.887 0.000 1.310 41 W CA 0.430 56.912 57.345 -1.438 0.000 1.226 41 W CB 1.175 30.129 29.460 -0.843 0.000 1.155 41 W HN 0.806 nan 8.180 nan 0.000 0.565 42 S N 3.270 118.244 115.700 -1.210 0.000 2.419 42 S HA 0.011 4.481 4.470 0.001 0.000 0.233 42 S C 1.688 175.537 174.600 -1.252 0.000 1.016 42 S CA 1.120 58.731 58.200 -0.981 0.000 0.974 42 S CB -0.706 62.120 63.200 -0.623 0.000 0.786 42 S HN 1.848 nan 8.310 nan 0.000 0.492 43 G N 0.375 107.767 108.800 -2.346 0.000 2.175 43 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 43 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 43 G C -0.142 174.067 174.900 -1.150 0.000 0.982 43 G CA 0.349 44.143 45.100 -2.177 0.000 0.641 43 G HN 0.676 nan 8.290 nan 0.000 0.527 44 E N -0.731 119.014 120.200 -0.758 0.000 2.316 44 E HA 0.741 5.092 4.350 0.001 0.000 0.258 44 E C -0.523 176.142 176.600 0.107 0.000 0.952 44 E CA -0.259 56.005 56.400 -0.228 0.000 0.818 44 E CB 1.942 31.509 29.700 -0.222 0.000 1.260 44 E HN 0.070 nan 8.360 nan 0.000 0.416 45 T N -0.815 113.792 114.554 0.089 0.000 2.887 45 T HA 0.723 5.074 4.350 0.001 0.000 0.292 45 T C -1.029 173.709 174.700 0.063 0.000 1.087 45 T CA 0.433 62.611 62.100 0.130 0.000 1.009 45 T CB 1.427 70.368 68.868 0.122 0.000 1.203 45 T HN 0.790 nan 8.240 nan 0.000 0.518 46 G N 2.551 111.388 108.800 0.061 0.000 2.576 46 G HA2 0.153 4.114 3.960 0.001 0.000 0.686 46 G HA3 0.153 4.114 3.960 0.001 0.000 0.686 46 G C -0.381 174.546 174.900 0.045 0.000 1.242 46 G CA -0.213 44.910 45.100 0.039 0.000 0.819 46 G HN 1.118 nan 8.290 nan 0.000 0.655 51 P HA 0.381 nan 4.420 nan 0.000 0.284 51 P C -1.308 176.040 177.300 0.081 0.000 1.258 51 P CA -0.851 62.282 63.100 0.055 0.000 0.824 51 P CB 0.553 32.278 31.700 0.041 0.000 1.038 52 L N 1.725 123.009 121.223 0.102 0.000 2.477 52 L HA 0.122 4.463 4.340 0.001 0.000 0.272 52 L C 0.009 176.956 176.870 0.129 0.000 1.157 52 L CA 0.024 54.956 54.840 0.153 0.000 0.889 52 L CB -0.009 42.160 42.059 0.183 0.000 1.158 52 L HN 0.256 nan 8.230 nan 0.000 0.473 53 K N 5.962 126.435 120.400 0.123 0.000 2.276 53 K HA 0.345 4.665 4.320 0.001 0.000 0.283 53 K C -0.761 175.903 176.600 0.107 0.000 1.044 53 K CA -0.409 55.927 56.287 0.082 0.000 0.944 53 K CB 0.973 33.493 32.500 0.034 0.000 1.012 53 K HN 0.577 nan 8.250 nan 0.000 0.472 54 K N 1.818 122.278 120.400 0.100 0.000 2.371 54 K HA 0.497 4.818 4.320 0.001 0.000 0.251 54 K C -1.215 175.462 176.600 0.128 0.000 0.934 54 K CA -0.901 55.466 56.287 0.133 0.000 0.798 54 K CB 2.336 34.912 32.500 0.127 0.000 1.204 54 K HN 0.191 nan 8.250 nan 0.000 0.427 55 V N 3.151 123.185 119.914 0.200 0.000 2.569 55 V HA 0.288 4.409 4.120 0.001 0.000 0.301 55 V C -1.146 175.156 176.094 0.347 0.000 1.044 55 V CA -1.011 61.417 62.300 0.214 0.000 0.874 55 V CB 1.718 33.627 31.823 0.144 0.000 1.002 55 V HN 0.740 nan 8.190 nan 0.000 0.424 56 K N 3.029 123.576 120.400 0.244 0.000 2.203 56 K HA 0.920 5.240 4.320 0.001 0.000 0.251 56 K C -0.826 175.916 176.600 0.237 0.000 0.944 56 K CA -1.055 55.369 56.287 0.228 0.000 0.829 56 K CB 2.207 34.783 32.500 0.128 0.000 1.125 56 K HN 0.319 nan 8.250 nan 0.000 0.430 57 K N 1.224 121.767 120.400 0.239 0.000 2.896 57 K HA 0.348 4.669 4.320 0.001 0.000 0.228 57 K C -0.175 176.505 176.600 0.135 0.000 1.151 57 K CA 0.643 57.063 56.287 0.222 0.000 1.035 57 K CB 0.689 33.418 32.500 0.382 0.000 1.263 57 K HN 0.918 nan 8.250 nan 0.000 0.574 58 G N 2.471 111.323 108.800 0.087 0.000 2.509 58 G HA2 -0.395 3.565 3.960 0.001 0.000 0.256 58 G HA3 -0.395 3.565 3.960 0.001 0.000 0.256 58 G C 0.480 175.398 174.900 0.030 0.000 1.152 58 G CA 0.293 45.425 45.100 0.054 0.000 0.951 58 G HN 0.600 nan 8.290 nan 0.000 0.559 59 N N 1.053 119.760 118.700 0.012 0.000 2.459 59 N HA 0.111 4.851 4.740 0.001 0.000 0.181 59 N C 1.142 176.626 175.510 -0.044 0.000 1.046 59 N CA 1.537 54.582 53.050 -0.009 0.000 0.904 59 N CB 0.030 38.511 38.487 -0.009 0.000 0.964 59 N HN 1.237 nan 8.380 nan 0.000 0.444 60 I N 0.649 121.169 120.570 -0.083 0.000 2.437 60 I HA 0.408 4.578 4.170 0.001 0.000 0.298 60 I C -0.715 175.272 176.117 -0.215 0.000 0.984 60 I CA -0.469 60.696 61.300 -0.226 0.000 1.214 60 I CB 1.579 39.316 38.000 -0.437 0.000 1.365 60 I HN 0.129 nan 8.210 nan 0.000 0.469 61 T N 3.111 117.522 114.554 -0.238 0.000 2.876 61 T HA 0.477 4.828 4.350 0.001 0.000 0.289 61 T C -1.044 173.575 174.700 -0.135 0.000 1.014 61 T CA -0.663 61.394 62.100 -0.072 0.000 0.986 61 T CB 1.102 69.995 68.868 0.042 0.000 1.021 61 T HN 0.585 nan 8.240 nan 0.000 0.458 62 W N 1.234 122.604 121.300 0.115 0.000 2.478 62 W HA 0.655 5.316 4.660 0.001 0.000 0.318 62 W C -0.390 176.170 176.519 0.068 0.000 1.062 62 W CA -1.086 56.310 57.345 0.085 0.000 1.210 62 W CB 2.083 31.543 29.460 -0.000 0.000 1.325 62 W HN 0.992 nan 8.180 nan 0.000 0.496 63 A N 2.890 125.875 122.820 0.275 0.000 2.340 63 A HA 0.609 4.930 4.320 0.001 0.000 0.297 63 A C -0.280 177.387 177.584 0.138 0.000 1.195 63 A CA -0.386 51.814 52.037 0.272 0.000 0.769 63 A CB 1.058 20.328 19.000 0.450 0.000 1.163 63 A HN 0.455 nan 8.150 nan 0.000 0.472 64 S N 1.304 117.040 115.700 0.061 0.000 2.726 64 S HA 0.993 5.463 4.470 0.001 0.000 0.308 64 S C -0.525 174.114 174.600 0.065 0.000 1.115 64 S CA -0.611 57.502 58.200 -0.144 0.000 0.965 64 S CB 1.413 64.435 63.200 -0.297 0.000 1.145 64 S HN 1.655 nan 8.310 nan 0.000 0.532 65 F N -1.562 118.342 119.950 -0.076 0.000 2.703 65 F HA 0.660 5.188 4.527 0.001 0.000 0.308 65 F C -1.108 174.751 175.800 0.098 0.000 1.126 65 F CA -1.174 56.833 58.000 0.012 0.000 0.959 65 F CB 0.238 39.258 39.000 0.033 0.000 1.297 65 F HN 0.486 nan 8.300 nan 0.000 0.441 66 N N 0.748 119.603 118.700 0.260 0.000 2.413 66 N HA 0.760 5.501 4.740 0.001 0.000 0.266 66 N C -1.526 174.173 175.510 0.315 0.000 1.238 66 N CA -0.411 52.791 53.050 0.253 0.000 0.972 66 N CB 1.095 39.664 38.487 0.138 0.000 1.210 66 N HN 0.689 nan 8.380 nan 0.000 0.547 67 L N -0.382 120.975 121.223 0.223 0.000 2.388 67 L HA 0.439 4.780 4.340 0.001 0.000 0.264 67 L C -0.032 176.860 176.870 0.036 0.000 0.998 67 L CA -0.618 54.245 54.840 0.038 0.000 0.817 67 L CB 1.790 43.704 42.059 -0.241 0.000 1.338 67 L HN 0.687 nan 8.230 nan 0.000 0.414 68 S N 0.442 116.146 115.700 0.006 0.000 2.584 68 S HA 0.128 4.599 4.470 0.001 0.000 0.270 68 S C 0.902 175.508 174.600 0.010 0.000 1.346 68 S CA -0.107 58.100 58.200 0.012 0.000 1.018 68 S CB 0.872 64.074 63.200 0.003 0.000 0.899 68 S HN 0.754 nan 8.310 nan 0.000 0.542 69 E N 0.480 120.694 120.200 0.022 0.000 2.077 69 E HA -0.217 4.133 4.350 0.001 0.000 0.193 69 E C 2.183 178.801 176.600 0.031 0.000 0.989 69 E CA 1.422 57.840 56.400 0.030 0.000 0.800 69 E CB -0.144 29.574 29.700 0.031 0.000 0.746 69 E HN 0.836 nan 8.360 nan 0.000 0.452 70 Q N 0.163 119.977 119.800 0.024 0.000 2.119 70 Q HA -0.198 4.143 4.340 0.001 0.000 0.201 70 Q C 1.289 177.310 176.000 0.035 0.000 0.972 70 Q CA 1.640 57.460 55.803 0.028 0.000 0.847 70 Q CB 0.093 28.841 28.738 0.018 0.000 0.903 70 Q HN 0.220 nan 8.270 nan 0.000 0.433 71 D N 0.268 120.677 120.400 0.015 0.000 2.117 71 D HA -0.140 4.500 4.640 0.001 0.000 0.198 71 D C 1.778 178.121 176.300 0.071 0.000 0.982 71 D CA 0.571 54.577 54.000 0.010 0.000 0.828 71 D CB -0.092 40.673 40.800 -0.058 0.000 0.967 71 D HN 0.174 nan 8.370 nan 0.000 0.464 72 L N 0.736 121.978 121.223 0.031 0.000 2.017 72 L HA -0.160 4.181 4.340 0.001 0.000 0.208 72 L C 1.730 178.693 176.870 0.155 0.000 1.073 72 L CA 1.836 56.708 54.840 0.054 0.000 0.745 72 L CB -0.619 41.420 42.059 -0.034 0.000 0.894 72 L HN -0.075 nan 8.230 nan 0.000 0.432 73 D N -0.720 119.748 120.400 0.113 0.000 2.092 73 D HA -0.241 4.400 4.640 0.001 0.000 0.193 73 D C 2.009 178.385 176.300 0.127 0.000 0.994 73 D CA 1.927 55.992 54.000 0.109 0.000 0.828 73 D CB -0.021 40.824 40.800 0.076 0.000 0.963 73 D HN 0.538 nan 8.370 nan 0.000 0.450 74 E N -1.500 118.782 120.200 0.138 0.000 2.072 74 E HA -0.161 4.190 4.350 0.001 0.000 0.191 74 E C 1.980 178.737 176.600 0.262 0.000 0.985 74 E CA 0.956 57.451 56.400 0.159 0.000 0.801 74 E CB -0.259 29.511 29.700 0.116 0.000 0.750 74 E HN 0.547 nan 8.360 nan 0.000 0.452 75 Y N -0.682 119.718 120.300 0.167 0.000 2.269 75 Y HA -0.164 4.386 4.550 0.001 0.000 0.294 75 Y C 1.950 178.073 175.900 0.373 0.000 1.120 75 Y CA 1.052 59.322 58.100 0.283 0.000 1.159 75 Y CB -0.106 38.444 38.460 0.151 0.000 1.024 75 Y HN 0.008 nan 8.280 nan 0.000 0.532 76 Y N 0.863 121.034 120.300 -0.216 0.000 2.265 76 Y HA 0.099 4.649 4.550 0.001 0.000 0.290 76 Y C 2.020 177.871 175.900 -0.082 0.000 1.137 76 Y CA 1.742 59.637 58.100 -0.341 0.000 1.147 76 Y CB -0.795 37.490 38.460 -0.292 0.000 1.104 76 Y HN 0.146 nan 8.280 nan 0.000 0.514 77 N N -0.408 118.289 118.700 -0.006 0.000 2.120 77 N HA -0.191 4.550 4.740 0.001 0.000 0.188 77 N C 1.641 177.123 175.510 -0.048 0.000 1.024 77 N CA 1.610 54.618 53.050 -0.070 0.000 0.852 77 N CB -0.055 38.461 38.487 0.047 0.000 1.003 77 N HN 0.512 nan 8.380 nan 0.000 0.424 78 Q N -0.159 119.659 119.800 0.029 0.000 2.103 78 Q HA 0.043 4.384 4.340 0.001 0.000 0.193 78 Q C 1.574 177.609 176.000 0.057 0.000 0.986 78 Q CA 0.581 56.416 55.803 0.054 0.000 0.834 78 Q CB -0.232 28.559 28.738 0.089 0.000 0.915 78 Q HN 0.227 nan 8.270 nan 0.000 0.483 79 F N 1.347 121.294 119.950 -0.005 0.000 2.113 79 F HA -0.170 4.358 4.527 0.001 0.000 0.297 79 F C 2.460 178.199 175.800 -0.102 0.000 1.103 79 F CA 1.333 59.307 58.000 -0.044 0.000 1.248 79 F CB -0.029 38.947 39.000 -0.040 0.000 0.999 79 F HN -0.021 nan 8.300 nan 0.000 0.475 80 S N 0.265 115.981 115.700 0.026 0.000 2.345 80 S HA -0.164 4.306 4.470 0.001 0.000 0.220 80 S C 1.626 176.223 174.600 -0.005 0.000 1.031 80 S CA 1.562 59.780 58.200 0.030 0.000 0.996 80 S CB -0.343 62.891 63.200 0.055 0.000 0.882 80 S HN 0.386 nan 8.310 nan 0.000 0.445 81 N N 0.845 119.484 118.700 -0.102 0.000 2.424 81 N HA 0.229 4.970 4.740 0.001 0.000 0.178 81 N C 0.981 176.515 175.510 0.039 0.000 1.060 81 N CA 0.756 53.749 53.050 -0.094 0.000 0.901 81 N CB -0.005 38.288 38.487 -0.324 0.000 0.979 81 N HN 0.377 nan 8.380 nan 0.000 0.451 82 A N -0.728 122.088 122.820 -0.007 0.000 2.382 82 A HA 0.356 4.676 4.320 0.001 0.000 0.228 82 A C 1.548 179.104 177.584 -0.046 0.000 1.217 82 A CA 0.023 52.077 52.037 0.029 0.000 0.923 82 A CB 0.518 19.532 19.000 0.024 0.000 0.979 82 A HN 0.028 nan 8.150 nan 0.000 0.515 83 V N -0.856 118.940 119.914 -0.196 0.000 3.001 83 V HA 0.095 4.216 4.120 0.001 0.000 0.228 83 V C 2.175 178.076 176.094 -0.322 0.000 1.204 83 V CA 0.729 62.819 62.300 -0.349 0.000 1.247 83 V CB -0.723 30.610 31.823 -0.817 0.000 1.093 83 V HN 0.419 nan 8.190 nan 0.000 0.504 84 L N -0.382 120.581 121.223 -0.433 0.000 2.027 84 L HA -0.148 4.193 4.340 0.001 0.000 0.206 84 L C 2.440 179.146 176.870 -0.274 0.000 1.074 84 L CA 2.056 56.654 54.840 -0.403 0.000 0.745 84 L CB -0.526 41.252 42.059 -0.470 0.000 0.898 84 L HN 0.552 nan 8.230 nan 0.000 0.433 85 W N 2.895 123.985 121.300 -0.350 0.000 2.315 85 W HA -0.168 4.492 4.660 0.001 0.000 0.323 85 W C -0.638 175.976 176.519 0.159 0.000 1.233 85 W CA 2.083 59.309 57.345 -0.197 0.000 1.267 85 W CB -1.490 27.849 29.460 -0.202 0.000 1.160 85 W HN 0.109 nan 8.180 nan 0.000 0.474 86 P HA -0.160 nan 4.420 nan 0.000 0.215 86 P C 1.607 178.966 177.300 0.099 0.000 1.157 86 P CA 3.121 66.367 63.100 0.243 0.000 0.863 86 P CB -0.472 31.317 31.700 0.148 0.000 0.787 87 A N -0.674 122.173 122.820 0.045 0.000 1.902 87 A HA -0.147 4.174 4.320 0.001 0.000 0.217 87 A C 2.206 179.790 177.584 0.001 0.000 1.181 87 A CA 1.364 53.403 52.037 0.003 0.000 0.623 87 A CB -1.844 17.157 19.000 0.002 0.000 0.818 87 A HN 0.119 nan 8.150 nan 0.000 0.443 88 F N -1.102 118.692 119.950 -0.259 0.000 2.407 88 F HA -0.115 4.412 4.527 0.001 0.000 0.299 88 F C 1.703 177.250 175.800 -0.421 0.000 1.097 88 F CA 0.954 58.730 58.000 -0.373 0.000 1.422 88 F CB -0.068 38.690 39.000 -0.405 0.000 1.067 88 F HN 0.320 nan 8.300 nan 0.000 0.539 89 H N -1.939 117.080 119.070 -0.086 0.000 2.567 89 H HA 0.118 4.674 4.556 0.001 0.000 0.294 89 H C -0.544 174.900 175.328 0.193 0.000 1.050 89 H CA -0.152 55.891 56.048 -0.009 0.000 1.168 89 H CB -0.710 28.916 29.762 -0.226 0.000 1.422 89 H HN 0.163 nan 8.280 nan 0.000 0.562 90 Y N -0.348 119.918 120.300 -0.057 0.000 4.032 90 Y HA -0.268 4.282 4.550 0.001 0.000 0.230 90 Y C 0.083 175.948 175.900 -0.059 0.000 1.202 90 Y CA -0.095 57.958 58.100 -0.077 0.000 1.878 90 Y CB -1.007 37.391 38.460 -0.103 0.000 1.586 90 Y HN 0.278 nan 8.280 nan 0.000 0.673 91 R N 0.681 121.213 120.500 0.053 0.000 3.301 91 R HA 0.247 4.587 4.340 0.001 0.000 0.286 91 R C 0.873 177.131 176.300 -0.069 0.000 1.386 91 R CA -0.478 55.608 56.100 -0.023 0.000 1.607 91 R CB 0.342 30.601 30.300 -0.069 0.000 1.305 91 R HN 0.206 nan 8.270 nan 0.000 0.637 92 L N 1.710 122.885 121.223 -0.080 0.000 2.079 92 L HA -0.212 4.128 4.340 0.001 0.000 0.210 92 L C 2.039 178.855 176.870 -0.090 0.000 1.081 92 L CA 1.982 56.764 54.840 -0.096 0.000 0.752 92 L CB -0.532 41.461 42.059 -0.109 0.000 0.896 92 L HN 0.476 nan 8.230 nan 0.000 0.433 93 D N -1.456 118.889 120.400 -0.092 0.000 2.271 93 D HA -0.235 4.406 4.640 0.001 0.000 0.207 93 D C 1.774 178.010 176.300 -0.106 0.000 0.983 93 D CA 0.975 54.920 54.000 -0.092 0.000 0.878 93 D CB -0.035 40.711 40.800 -0.091 0.000 0.920 93 D HN 0.242 nan 8.370 nan 0.000 0.479 94 L N 0.867 122.009 121.223 -0.136 0.000 2.590 94 L HA 0.148 4.489 4.340 0.001 0.000 0.227 94 L C 0.891 177.712 176.870 -0.081 0.000 1.099 94 L CA -0.075 54.670 54.840 -0.159 0.000 0.872 94 L CB 0.220 42.078 42.059 -0.334 0.000 1.088 94 L HN 0.022 nan 8.230 nan 0.000 0.479 95 V N -0.252 119.627 119.914 -0.059 0.000 2.740 95 V HA 0.204 4.324 4.120 0.001 0.000 0.303 95 V C 0.093 176.189 176.094 0.002 0.000 1.054 95 V CA -0.213 62.069 62.300 -0.029 0.000 1.106 95 V CB 0.816 32.609 31.823 -0.049 0.000 0.957 95 V HN 0.336 nan 8.190 nan 0.000 0.486 96 Q N 5.160 124.974 119.800 0.024 0.000 2.943 96 Q HA 0.331 4.671 4.340 0.001 0.000 0.327 96 Q C -0.839 175.215 176.000 0.089 0.000 0.937 96 Q CA -0.177 55.655 55.803 0.050 0.000 0.914 96 Q CB 1.210 29.966 28.738 0.032 0.000 1.339 96 Q HN 0.904 nan 8.270 nan 0.000 0.417 97 F N 2.387 122.331 119.950 -0.010 0.000 2.467 97 F HA 0.168 4.695 4.527 0.001 0.000 0.362 97 F C -0.023 175.827 175.800 0.084 0.000 1.090 97 F CA 0.377 58.404 58.000 0.044 0.000 1.202 97 F CB 0.589 39.599 39.000 0.016 0.000 1.113 97 F HN 0.143 nan 8.300 nan 0.000 0.541 98 Q N 6.038 125.561 119.800 -0.463 0.000 2.397 98 Q HA 0.322 4.662 4.340 0.001 0.000 0.275 98 Q C 0.645 176.269 176.000 -0.626 0.000 1.090 98 Q CA -1.074 54.519 55.803 -0.350 0.000 0.809 98 Q CB 2.411 31.093 28.738 -0.093 0.000 1.362 98 Q HN 0.698 nan 8.270 nan 0.000 0.431 99 R N 0.783 121.119 120.500 -0.273 0.000 2.073 99 R HA -0.108 4.232 4.340 0.001 0.000 0.234 99 R C -0.913 175.384 176.300 -0.005 0.000 1.134 99 R CA 1.640 57.700 56.100 -0.067 0.000 0.952 99 R CB -1.120 29.253 30.300 0.121 0.000 0.850 99 R HN 0.459 nan 8.270 nan 0.000 0.433 100 P HA -0.065 nan 4.420 nan 0.000 0.223 100 P C 0.699 178.005 177.300 0.010 0.000 1.144 100 P CA 1.330 64.435 63.100 0.008 0.000 0.783 100 P CB -0.002 31.706 31.700 0.012 0.000 0.771 101 A N -1.231 121.591 122.820 0.004 0.000 1.903 101 A HA -0.118 4.203 4.320 0.001 0.000 0.213 101 A C 2.136 179.774 177.584 0.091 0.000 1.185 101 A CA 0.605 52.692 52.037 0.084 0.000 0.628 101 A CB -1.805 17.268 19.000 0.122 0.000 0.830 101 A HN 0.289 nan 8.150 nan 0.000 0.446 102 W N 1.322 122.488 121.300 -0.224 0.000 2.363 102 W HA -0.189 4.472 4.660 0.001 0.000 0.296 102 W C 0.759 177.161 176.519 -0.195 0.000 1.212 102 W CA 1.845 58.925 57.345 -0.443 0.000 1.260 102 W CB -0.151 29.148 29.460 -0.269 0.000 1.131 102 W HN 0.372 nan 8.180 nan 0.000 0.530 103 D N 0.197 120.459 120.400 -0.230 0.000 2.117 103 D HA -0.113 4.527 4.640 0.001 0.000 0.198 103 D C 2.424 178.587 176.300 -0.228 0.000 0.982 103 D CA 1.991 55.823 54.000 -0.280 0.000 0.828 103 D CB -1.115 39.632 40.800 -0.089 0.000 0.967 103 D HN 0.296 nan 8.370 nan 0.000 0.464 104 G N -0.161 108.582 108.800 -0.095 0.000 2.440 104 G HA2 -0.327 3.633 3.960 0.001 0.000 0.218 104 G HA3 -0.327 3.633 3.960 0.001 0.000 0.218 104 G C 1.618 176.532 174.900 0.024 0.000 1.154 104 G CA 0.732 45.825 45.100 -0.011 0.000 0.767 104 G HN 0.301 nan 8.290 nan 0.000 0.552 105 Y N 0.978 121.212 120.300 -0.109 0.000 2.224 105 Y HA 0.025 4.576 4.550 0.001 0.000 0.289 105 Y C 2.515 178.293 175.900 -0.203 0.000 1.146 105 Y CA 1.195 59.283 58.100 -0.020 0.000 1.182 105 Y CB -0.126 38.229 38.460 -0.175 0.000 0.983 105 Y HN 0.116 nan 8.280 nan 0.000 0.524 106 L N -0.470 120.478 121.223 -0.458 0.000 2.109 106 L HA -0.158 4.183 4.340 0.001 0.000 0.207 106 L C 2.706 179.393 176.870 -0.304 0.000 1.086 106 L CA 1.342 55.889 54.840 -0.488 0.000 0.760 106 L CB -0.439 41.246 42.059 -0.624 0.000 0.910 106 L HN 0.110 nan 8.230 nan 0.000 0.437 107 R N -0.034 120.317 120.500 -0.248 0.000 2.092 107 R HA -0.143 4.198 4.340 0.001 0.000 0.231 107 R C 2.282 178.468 176.300 -0.191 0.000 1.119 107 R CA 1.656 57.647 56.100 -0.181 0.000 0.970 107 R CB -0.062 30.155 30.300 -0.138 0.000 0.864 107 R HN 0.366 nan 8.270 nan 0.000 0.440 108 V N -0.694 119.064 119.914 -0.260 0.000 2.649 108 V HA -0.071 4.049 4.120 0.001 0.000 0.248 108 V C 1.624 177.547 176.094 -0.285 0.000 1.054 108 V CA 1.502 63.590 62.300 -0.352 0.000 1.073 108 V CB -0.496 30.934 31.823 -0.655 0.000 0.699 108 V HN 0.295 nan 8.190 nan 0.000 0.463 109 N N 1.306 119.853 118.700 -0.255 0.000 2.104 109 N HA -0.157 4.584 4.740 0.001 0.000 0.190 109 N C 1.971 177.538 175.510 0.095 0.000 1.024 109 N CA 1.981 55.016 53.050 -0.024 0.000 0.853 109 N CB -0.237 38.196 38.487 -0.089 0.000 1.008 109 N HN 0.671 nan 8.380 nan 0.000 0.424 110 A N 1.357 124.147 122.820 -0.051 0.000 1.855 110 A HA -0.106 4.215 4.320 0.001 0.000 0.215 110 A C 2.297 179.849 177.584 -0.053 0.000 1.191 110 A CA 0.883 52.882 52.037 -0.063 0.000 0.613 110 A CB -0.868 18.076 19.000 -0.093 0.000 0.829 110 A HN 0.238 nan 8.150 nan 0.000 0.442 111 L N -0.838 120.336 121.223 -0.081 0.000 2.043 111 L HA -0.183 4.158 4.340 0.001 0.000 0.212 111 L C 2.118 178.944 176.870 -0.074 0.000 1.075 111 L CA 1.671 56.454 54.840 -0.096 0.000 0.752 111 L CB -0.375 41.601 42.059 -0.138 0.000 0.891 111 L HN 0.297 nan 8.230 nan 0.000 0.432 112 L N -0.762 120.462 121.223 0.001 0.000 2.291 112 L HA -0.033 4.308 4.340 0.001 0.000 0.214 112 L C 2.522 179.608 176.870 0.360 0.000 1.120 112 L CA 1.593 56.522 54.840 0.148 0.000 0.799 112 L CB -1.422 40.760 42.059 0.205 0.000 0.925 112 L HN 0.326 nan 8.230 nan 0.000 0.446 113 A N -0.835 122.113 122.820 0.214 0.000 1.897 113 A HA -0.150 4.170 4.320 0.001 0.000 0.215 113 A C 1.997 179.521 177.584 -0.099 0.000 1.181 113 A CA 1.427 53.409 52.037 -0.092 0.000 0.620 113 A CB -0.439 18.373 19.000 -0.314 0.000 0.821 113 A HN 0.330 nan 8.150 nan 0.000 0.443 114 D N 0.112 120.464 120.400 -0.080 0.000 2.087 114 D HA -0.155 4.486 4.640 0.001 0.000 0.192 114 D C 1.844 178.089 176.300 -0.092 0.000 0.993 114 D CA 1.645 55.593 54.000 -0.087 0.000 0.828 114 D CB -0.320 40.433 40.800 -0.077 0.000 0.968 114 D HN 0.316 nan 8.370 nan 0.000 0.448 115 K N 0.052 120.400 120.400 -0.087 0.000 2.209 115 K HA 0.000 4.321 4.320 0.001 0.000 0.204 115 K C 1.721 178.208 176.600 -0.189 0.000 1.048 115 K CA 0.228 56.462 56.287 -0.088 0.000 0.940 115 K CB -0.052 32.397 32.500 -0.085 0.000 0.729 115 K HN 0.103 nan 8.250 nan 0.000 0.451 116 L N 0.880 121.910 121.223 -0.321 0.000 2.592 116 L HA 0.040 4.380 4.340 0.001 0.000 0.227 116 L C 1.337 178.042 176.870 -0.277 0.000 1.127 116 L CA 0.488 54.985 54.840 -0.570 0.000 0.884 116 L CB -0.168 41.479 42.059 -0.686 0.000 1.065 116 L HN 0.270 nan 8.230 nan 0.000 0.457 117 L N 1.499 122.614 121.223 -0.178 0.000 2.005 117 L HA -0.042 4.299 4.340 0.001 0.000 0.207 117 L C -0.487 176.324 176.870 -0.099 0.000 1.072 117 L CA 1.679 56.443 54.840 -0.126 0.000 0.744 117 L CB -1.861 40.134 42.059 -0.107 0.000 0.895 117 L HN 0.206 nan 8.230 nan 0.000 0.433 118 P HA -0.003 nan 4.420 nan 0.000 0.247 118 P C 1.331 178.601 177.300 -0.049 0.000 1.225 118 P CA 0.805 63.872 63.100 -0.056 0.000 0.768 118 P CB 0.005 31.681 31.700 -0.040 0.000 1.020 119 L N -2.667 118.512 121.223 -0.073 0.000 2.749 119 L HA 0.214 4.555 4.340 0.001 0.000 0.242 119 L C 1.017 177.862 176.870 -0.042 0.000 1.103 119 L CA -0.109 54.698 54.840 -0.055 0.000 0.906 119 L CB 0.080 42.091 42.059 -0.080 0.000 1.228 119 L HN -0.056 nan 8.230 nan 0.000 0.517 120 L N 0.442 121.633 121.223 -0.054 0.000 2.466 120 L HA 0.210 4.551 4.340 0.001 0.000 0.257 120 L C -0.274 176.585 176.870 -0.019 0.000 1.189 120 L CA 0.188 55.009 54.840 -0.031 0.000 0.813 120 L CB 0.867 42.904 42.059 -0.037 0.000 1.118 120 L HN 0.138 nan 8.230 nan 0.000 0.471 121 Q N -0.290 119.506 119.800 -0.007 0.000 2.389 121 Q HA 0.162 4.503 4.340 0.001 0.000 0.277 121 Q C -0.448 175.551 176.000 -0.003 0.000 1.082 121 Q CA -0.743 55.057 55.803 -0.005 0.000 0.810 121 Q CB 2.194 30.933 28.738 0.001 0.000 1.374 121 Q HN 0.454 nan 8.270 nan 0.000 0.422 122 D N 0.639 121.035 120.400 -0.006 0.000 2.311 122 D HA -0.157 4.484 4.640 0.001 0.000 0.212 122 D C 0.403 176.702 176.300 -0.003 0.000 0.972 122 D CA 1.401 55.397 54.000 -0.007 0.000 0.887 122 D CB 0.098 40.892 40.800 -0.010 0.000 0.915 122 D HN 0.536 nan 8.370 nan 0.000 0.497 123 D N -1.177 119.224 120.400 0.001 0.000 2.398 123 D HA 0.016 4.657 4.640 0.001 0.000 0.210 123 D C -0.063 176.242 176.300 0.009 0.000 1.094 123 D CA -0.382 53.620 54.000 0.002 0.000 0.839 123 D CB -0.125 40.674 40.800 -0.001 0.000 0.963 123 D HN -0.156 nan 8.370 nan 0.000 0.506 124 D N 1.224 121.633 120.400 0.015 0.000 2.506 124 D HA 0.085 4.726 4.640 0.001 0.000 0.234 124 D C 0.746 177.070 176.300 0.040 0.000 1.143 124 D CA 0.110 54.128 54.000 0.030 0.000 0.871 124 D CB 0.778 41.600 40.800 0.038 0.000 1.190 124 D HN 0.371 nan 8.370 nan 0.000 0.459 125 I N -1.232 119.368 120.570 0.051 0.000 2.488 125 I HA 0.528 4.699 4.170 0.001 0.000 0.299 125 I C -0.292 175.904 176.117 0.132 0.000 0.984 125 I CA -0.826 60.514 61.300 0.066 0.000 1.250 125 I CB 1.182 39.199 38.000 0.028 0.000 1.389 125 I HN 0.099 nan 8.210 nan 0.000 0.488 126 I N 4.631 125.307 120.570 0.178 0.000 2.418 126 I HA 0.286 4.457 4.170 0.001 0.000 0.287 126 I C -1.332 175.030 176.117 0.409 0.000 1.008 126 I CA -0.226 61.243 61.300 0.282 0.000 1.104 126 I CB 1.843 40.002 38.000 0.266 0.000 1.264 126 I HN 0.620 nan 8.210 nan 0.000 0.438 127 W N 8.556 129.990 121.300 0.224 0.000 2.362 127 W HA 0.531 5.192 4.660 0.001 0.000 0.316 127 W C -1.351 175.277 176.519 0.181 0.000 1.024 127 W CA -1.111 56.343 57.345 0.181 0.000 1.270 127 W CB 0.967 30.483 29.460 0.092 0.000 1.273 127 W HN 0.169 nan 8.180 nan 0.000 0.424 128 I N 6.214 127.119 120.570 0.558 0.000 2.359 128 I HA 0.229 4.399 4.170 0.001 0.000 0.294 128 I C 0.089 176.183 176.117 -0.038 0.000 0.987 128 I CA -0.745 60.800 61.300 0.408 0.000 1.225 128 I CB 1.202 39.665 38.000 0.773 0.000 1.366 128 I HN 0.281 nan 8.210 nan 0.000 0.466 129 H N 4.610 123.725 119.070 0.075 0.000 2.587 129 H HA 0.383 4.940 4.556 0.001 0.000 0.325 129 H C -0.714 174.675 175.328 0.101 0.000 1.012 129 H CA -0.261 55.765 56.048 -0.035 0.000 1.213 129 H CB 1.714 31.502 29.762 0.044 0.000 1.431 129 H HN 0.606 nan 8.280 nan 0.000 0.492 130 D N 0.447 120.844 120.400 -0.005 0.000 10.639 130 D HA -0.222 4.418 4.640 0.001 0.000 0.349 130 D C 0.902 177.489 176.300 0.478 0.000 3.131 130 D CA 0.564 54.741 54.000 0.295 0.000 2.623 130 D CB -0.381 40.665 40.800 0.410 0.000 1.239 130 D HN 0.644 nan 8.370 nan 0.000 0.947 131 Y N 0.128 120.660 120.300 0.387 0.000 2.298 131 Y HA -0.122 4.428 4.550 0.001 0.000 0.287 131 Y C 2.037 178.129 175.900 0.320 0.000 1.164 131 Y CA 2.218 60.467 58.100 0.249 0.000 1.229 131 Y CB -1.042 37.361 38.460 -0.095 0.000 0.977 131 Y HN 0.531 nan 8.280 nan 0.000 0.538 132 H N 0.402 119.526 119.070 0.090 0.000 2.489 132 H HA 0.071 4.627 4.556 0.001 0.000 0.293 132 H C 0.852 176.465 175.328 0.475 0.000 1.066 132 H CA 1.575 57.830 56.048 0.345 0.000 1.305 132 H CB -0.196 29.662 29.762 0.160 0.000 1.386 132 H HN 0.415 nan 8.280 nan 0.000 0.551 133 L N 0.344 121.910 121.223 0.571 0.000 3.202 133 L HA 0.182 4.523 4.340 0.001 0.000 0.278 133 L C 0.714 177.921 176.870 0.562 0.000 1.268 133 L CA -0.078 55.050 54.840 0.480 0.000 1.034 133 L CB 0.436 42.723 42.059 0.380 0.000 1.407 133 L HN 0.193 nan 8.230 nan 0.000 0.581 134 L N 1.254 122.788 121.223 0.517 0.000 2.079 134 L HA -0.109 4.232 4.340 0.001 0.000 0.210 134 L C -0.482 176.600 176.870 0.353 0.000 1.081 134 L CA 1.404 56.433 54.840 0.314 0.000 0.752 134 L CB -1.086 41.246 42.059 0.454 0.000 0.896 134 L HN 0.312 nan 8.230 nan 0.000 0.433 135 P HA -0.036 nan 4.420 nan 0.000 0.258 135 P C 1.077 178.519 177.300 0.236 0.000 1.416 135 P CA 0.287 63.527 63.100 0.233 0.000 0.927 135 P CB 0.054 31.825 31.700 0.119 0.000 1.444 136 F N 2.090 122.128 119.950 0.146 0.000 2.128 136 F HA -0.007 4.521 4.527 0.001 0.000 0.295 136 F C 2.448 178.234 175.800 -0.024 0.000 1.100 136 F CA 1.377 59.446 58.000 0.115 0.000 1.260 136 F CB -0.942 38.215 39.000 0.261 0.000 1.009 136 F HN -0.030 nan 8.300 nan 0.000 0.476 137 A N -0.873 121.810 122.820 -0.230 0.000 1.958 137 A HA -0.352 3.969 4.320 0.001 0.000 0.221 137 A C 2.045 179.439 177.584 -0.317 0.000 1.178 137 A CA 2.347 54.053 52.037 -0.551 0.000 0.642 137 A CB -1.444 16.722 19.000 -1.391 0.000 0.816 137 A HN 0.662 nan 8.150 nan 0.000 0.453 138 H N -0.593 118.318 119.070 -0.265 0.000 2.357 138 H HA -0.050 4.506 4.556 0.001 0.000 0.301 138 H C 1.989 177.203 175.328 -0.191 0.000 1.082 138 H CA 1.632 57.575 56.048 -0.175 0.000 1.342 138 H CB 0.096 29.802 29.762 -0.095 0.000 1.389 138 H HN 0.420 nan 8.280 nan 0.000 0.511 139 E N 0.479 120.596 120.200 -0.138 0.000 2.106 139 E HA -0.128 4.222 4.350 0.001 0.000 0.192 139 E C 2.465 178.861 176.600 -0.340 0.000 0.984 139 E CA 0.881 57.148 56.400 -0.223 0.000 0.806 139 E CB -0.111 29.446 29.700 -0.237 0.000 0.750 139 E HN 0.549 nan 8.360 nan 0.000 0.458 140 L N 0.431 121.394 121.223 -0.433 0.000 2.023 140 L HA -0.092 4.249 4.340 0.001 0.000 0.205 140 L C 2.653 179.366 176.870 -0.262 0.000 1.073 140 L CA 0.973 55.591 54.840 -0.371 0.000 0.745 140 L CB -0.404 41.423 42.059 -0.386 0.000 0.900 140 L HN -0.005 nan 8.230 nan 0.000 0.435 141 R N 0.455 120.799 120.500 -0.260 0.000 2.127 141 R HA -0.208 4.133 4.340 0.001 0.000 0.238 141 R C 2.229 178.394 176.300 -0.223 0.000 1.134 141 R CA 1.199 57.172 56.100 -0.213 0.000 0.975 141 R CB -0.373 29.807 30.300 -0.199 0.000 0.865 141 R HN 0.357 nan 8.270 nan 0.000 0.447 142 K N 1.281 121.503 120.400 -0.297 0.000 2.209 142 K HA -0.123 4.198 4.320 0.001 0.000 0.204 142 K C 1.318 177.814 176.600 -0.173 0.000 1.048 142 K CA 1.238 57.372 56.287 -0.255 0.000 0.940 142 K CB 0.122 32.442 32.500 -0.299 0.000 0.729 142 K HN 0.038 nan 8.250 nan 0.000 0.451 143 R N -0.953 119.442 120.500 -0.174 0.000 2.426 143 R HA 0.111 4.452 4.340 0.001 0.000 0.263 143 R C 0.635 176.865 176.300 -0.116 0.000 0.961 143 R CA 0.458 56.475 56.100 -0.137 0.000 1.086 143 R CB 0.713 30.924 30.300 -0.148 0.000 1.186 143 R HN 0.496 nan 8.270 nan 0.000 0.537 144 G N 0.562 109.293 108.800 -0.115 0.000 2.194 144 G HA2 -0.297 3.664 3.960 0.001 0.000 0.236 144 G HA3 -0.297 3.664 3.960 0.001 0.000 0.236 144 G C 0.280 175.133 174.900 -0.079 0.000 0.987 144 G CA 0.074 45.122 45.100 -0.087 0.000 0.635 144 G HN 0.310 nan 8.290 nan 0.000 0.520 145 V N -0.863 118.995 119.914 -0.094 0.000 2.655 145 V HA 0.577 4.698 4.120 0.001 0.000 0.300 145 V C 0.767 176.826 176.094 -0.058 0.000 1.044 145 V CA 1.181 63.436 62.300 -0.074 0.000 1.095 145 V CB 1.195 32.968 31.823 -0.084 0.000 0.952 145 V HN 0.327 nan 8.190 nan 0.000 0.485 146 N N 2.468 121.147 118.700 -0.035 0.000 2.143 146 N HA 0.212 4.952 4.740 0.001 0.000 0.222 146 N C -0.313 175.195 175.510 -0.003 0.000 1.264 146 N CA -0.453 52.585 53.050 -0.019 0.000 0.897 146 N CB 0.225 38.702 38.487 -0.016 0.000 1.092 146 N HN 0.804 nan 8.380 nan 0.000 0.516 147 N N 1.259 119.960 118.700 0.000 0.000 2.344 147 N HA 0.005 4.746 4.740 0.001 0.000 0.236 147 N C -0.146 175.385 175.510 0.034 0.000 1.279 147 N CA 0.323 53.383 53.050 0.017 0.000 0.882 147 N CB 0.459 38.962 38.487 0.026 0.000 1.110 147 N HN 0.026 nan 8.380 nan 0.000 0.436 148 R N 0.944 121.466 120.500 0.037 0.000 2.404 148 R HA 0.188 4.528 4.340 0.001 0.000 0.315 148 R C -0.335 176.022 176.300 0.094 0.000 1.032 148 R CA 0.286 56.414 56.100 0.047 0.000 0.992 148 R CB -0.192 30.113 30.300 0.009 0.000 0.959 148 R HN 0.477 nan 8.270 nan 0.000 0.428 149 I N 1.945 122.602 120.570 0.146 0.000 2.406 149 I HA 0.369 4.540 4.170 0.001 0.000 0.290 149 I C 0.645 176.991 176.117 0.383 0.000 0.999 149 I CA -0.713 60.749 61.300 0.271 0.000 1.124 149 I CB 2.112 40.267 38.000 0.258 0.000 1.289 149 I HN 0.594 nan 8.210 nan 0.000 0.441 150 G N 5.100 114.143 108.800 0.404 0.000 2.416 150 G HA2 0.654 4.615 3.960 0.001 0.000 0.329 150 G HA3 0.654 4.615 3.960 0.001 0.000 0.329 150 G C -1.713 173.510 174.900 0.539 0.000 1.173 150 G CA -0.362 44.982 45.100 0.407 0.000 0.929 150 G HN 0.410 nan 8.290 nan 0.000 0.475 151 F N 1.701 121.716 119.950 0.108 0.000 2.532 151 F HA 0.772 5.300 4.527 0.001 0.000 0.321 151 F C -1.583 174.221 175.800 0.008 0.000 1.089 151 F CA -1.789 56.081 58.000 -0.217 0.000 0.926 151 F CB 2.121 40.440 39.000 -1.134 0.000 1.168 151 F HN 0.367 nan 8.300 nan 0.000 0.459 152 F N 7.357 126.750 119.950 -0.929 0.000 2.507 152 F HA 0.573 5.101 4.527 0.001 0.000 0.328 152 F C -1.813 173.357 175.800 -1.050 0.000 1.136 152 F CA -1.051 56.491 58.000 -0.764 0.000 0.930 152 F CB 1.346 40.038 39.000 -0.513 0.000 1.166 152 F HN 0.428 nan 8.300 nan 0.000 0.436 153 L N 7.008 127.482 121.223 -1.249 0.000 2.255 153 L HA 0.322 4.662 4.340 0.001 0.000 0.289 153 L C 0.712 177.261 176.870 -0.535 0.000 1.046 153 L CA 0.113 54.606 54.840 -0.578 0.000 0.816 153 L CB 0.316 42.354 42.059 -0.035 0.000 1.197 153 L HN 0.680 nan 8.230 nan 0.000 0.427 154 H N 5.344 124.438 119.070 0.040 0.000 2.502 154 H HA 0.108 4.665 4.556 0.001 0.000 0.283 154 H C 0.519 175.991 175.328 0.238 0.000 1.015 154 H CA 1.178 57.369 56.048 0.239 0.000 1.298 154 H CB 0.191 30.174 29.762 0.368 0.000 1.411 154 H HN 0.647 nan 8.280 nan 0.000 0.556 155 I N -1.160 119.615 120.570 0.343 0.000 3.062 155 I HA 0.468 4.639 4.170 0.001 0.000 0.316 155 I C -2.607 173.606 176.117 0.159 0.000 1.041 155 I CA -2.660 58.758 61.300 0.198 0.000 1.069 155 I CB 1.324 39.361 38.000 0.062 0.000 1.300 155 I HN -0.305 nan 8.210 nan 0.000 0.518 156 P HA 0.167 nan 4.420 nan 0.000 0.272 156 P C -1.360 176.017 177.300 0.129 0.000 1.240 156 P CA 0.153 63.303 63.100 0.084 0.000 0.791 156 P CB 0.279 31.978 31.700 -0.001 0.000 0.978 157 F N 2.764 122.723 119.950 0.015 0.000 2.402 157 F HA 0.434 4.961 4.527 0.001 0.000 0.355 157 F C -2.221 173.425 175.800 -0.256 0.000 1.123 157 F CA -2.581 55.301 58.000 -0.196 0.000 1.021 157 F CB 1.425 40.422 39.000 -0.006 0.000 1.160 157 F HN 0.174 nan 8.300 nan 0.000 0.451 158 P HA 0.162 nan 4.420 nan 0.000 0.278 158 P C -0.611 176.545 177.300 -0.240 0.000 1.238 158 P CA -0.308 62.462 63.100 -0.550 0.000 0.794 158 P CB 0.883 31.997 31.700 -0.977 0.000 0.955 159 T N 0.278 114.776 114.554 -0.094 0.000 2.906 159 T HA 0.045 4.396 4.350 0.001 0.000 0.320 159 T C -1.690 172.987 174.700 -0.039 0.000 1.088 159 T CA -0.863 61.231 62.100 -0.009 0.000 1.120 159 T CB -0.849 68.048 68.868 0.049 0.000 1.000 159 T HN 0.237 nan 8.240 nan 0.000 0.550 160 P HA -0.169 nan 4.420 nan 0.000 0.216 160 P C 1.740 179.020 177.300 -0.032 0.000 1.157 160 P CA 1.116 64.239 63.100 0.038 0.000 0.880 160 P CB 0.025 31.736 31.700 0.018 0.000 0.791 161 E N -1.091 119.074 120.200 -0.058 0.000 2.171 161 E HA -0.177 4.174 4.350 0.001 0.000 0.197 161 E C 1.936 178.454 176.600 -0.137 0.000 0.997 161 E CA 1.176 57.522 56.400 -0.090 0.000 0.810 161 E CB -0.621 29.041 29.700 -0.062 0.000 0.738 161 E HN 0.313 nan 8.360 nan 0.000 0.467 162 I N -0.463 120.004 120.570 -0.173 0.000 2.429 162 I HA -0.142 4.029 4.170 0.001 0.000 0.247 162 I C 2.110 178.085 176.117 -0.237 0.000 1.099 162 I CA 0.444 61.590 61.300 -0.257 0.000 1.422 162 I CB -0.365 37.352 38.000 -0.471 0.000 1.112 162 I HN -0.028 nan 8.210 nan 0.000 0.430 163 F N 1.993 121.740 119.950 -0.337 0.000 2.134 163 F HA -0.223 4.305 4.527 0.001 0.000 0.299 163 F C 2.176 177.831 175.800 -0.243 0.000 1.097 163 F CA 1.539 59.370 58.000 -0.281 0.000 1.264 163 F CB -0.365 38.499 39.000 -0.227 0.000 1.001 163 F HN 0.118 nan 8.300 nan 0.000 0.479 164 N N 0.582 119.116 118.700 -0.276 0.000 2.573 164 N HA -0.076 4.665 4.740 0.001 0.000 0.187 164 N C 1.765 176.830 175.510 -0.742 0.000 1.107 164 N CA 0.933 53.537 53.050 -0.742 0.000 0.918 164 N CB -0.531 37.613 38.487 -0.571 0.000 0.966 164 N HN 0.416 nan 8.380 nan 0.000 0.448 165 A N 0.243 122.781 122.820 -0.471 0.000 2.016 165 A HA 0.033 4.354 4.320 0.001 0.000 0.217 165 A C 0.688 178.041 177.584 -0.385 0.000 1.162 165 A CA 0.100 51.915 52.037 -0.371 0.000 0.662 165 A CB -0.152 18.686 19.000 -0.271 0.000 0.812 165 A HN 0.096 nan 8.150 nan 0.000 0.450 166 L N 0.554 121.513 121.223 -0.440 0.000 2.584 166 L HA 0.119 4.459 4.340 0.001 0.000 0.272 166 L C -1.534 175.108 176.870 -0.381 0.000 1.195 166 L CA -1.226 53.369 54.840 -0.408 0.000 0.920 166 L CB 0.361 42.153 42.059 -0.444 0.000 1.173 166 L HN 0.068 nan 8.230 nan 0.000 0.489 167 P HA -0.062 nan 4.420 nan 0.000 0.228 167 P C 0.960 178.020 177.300 -0.400 0.000 1.151 167 P CA 0.957 63.716 63.100 -0.569 0.000 0.770 167 P CB 0.349 31.378 31.700 -1.118 0.000 0.786 168 T N -2.239 112.066 114.554 -0.415 0.000 3.200 168 T HA 0.105 4.456 4.350 0.001 0.000 0.284 168 T C 1.012 175.529 174.700 -0.304 0.000 1.009 168 T CA -0.453 61.331 62.100 -0.526 0.000 0.907 168 T CB -0.473 67.752 68.868 -1.072 0.000 1.120 168 T HN 0.120 nan 8.240 nan 0.000 0.534 169 Y N 1.425 121.533 120.300 -0.320 0.000 2.274 169 Y HA -0.116 4.434 4.550 0.001 0.000 0.290 169 Y C 1.933 177.904 175.900 0.119 0.000 1.145 169 Y CA 1.652 59.605 58.100 -0.245 0.000 1.203 169 Y CB -0.314 37.862 38.460 -0.474 0.000 0.984 169 Y HN 0.215 nan 8.280 nan 0.000 0.533 170 D N -0.330 119.484 120.400 -0.977 0.000 2.162 170 D HA -0.131 4.510 4.640 0.001 0.000 0.203 170 D C 1.679 177.854 176.300 -0.209 0.000 0.967 170 D CA 1.598 55.181 54.000 -0.696 0.000 0.840 170 D CB -0.963 39.382 40.800 -0.758 0.000 0.972 170 D HN 0.413 nan 8.370 nan 0.000 0.482 171 T N 1.218 115.678 114.554 -0.156 0.000 2.652 171 T HA -0.111 4.239 4.350 0.001 0.000 0.267 171 T C 1.874 176.643 174.700 0.114 0.000 1.039 171 T CA 0.813 62.901 62.100 -0.020 0.000 1.153 171 T CB -0.271 68.665 68.868 0.112 0.000 0.863 171 T HN 0.017 nan 8.240 nan 0.000 0.428 172 L N 0.561 121.932 121.223 0.246 0.000 2.013 172 L HA -0.038 4.302 4.340 0.001 0.000 0.212 172 L C 2.299 179.427 176.870 0.429 0.000 1.073 172 L CA 1.408 56.510 54.840 0.436 0.000 0.753 172 L CB -1.348 41.079 42.059 0.613 0.000 0.890 172 L HN 0.215 nan 8.230 nan 0.000 0.432 173 L N -0.601 120.884 121.223 0.437 0.000 2.083 173 L HA -0.187 4.154 4.340 0.001 0.000 0.209 173 L C 2.529 179.622 176.870 0.371 0.000 1.083 173 L CA 1.457 56.571 54.840 0.456 0.000 0.752 173 L CB -0.849 41.484 42.059 0.458 0.000 0.899 173 L HN 0.382 nan 8.230 nan 0.000 0.433 174 E N -1.132 119.109 120.200 0.068 0.000 2.051 174 E HA -0.251 4.100 4.350 0.001 0.000 0.192 174 E C 2.118 178.697 176.600 -0.036 0.000 0.991 174 E CA 1.226 57.428 56.400 -0.331 0.000 0.799 174 E CB -0.119 29.214 29.700 -0.612 0.000 0.748 174 E HN 0.597 nan 8.360 nan 0.000 0.449 175 Q N 0.280 120.096 119.800 0.027 0.000 2.172 175 Q HA -0.065 4.276 4.340 0.001 0.000 0.200 175 Q C 2.305 178.396 176.000 0.151 0.000 0.964 175 Q CA 0.666 56.514 55.803 0.075 0.000 0.855 175 Q CB 0.038 28.799 28.738 0.038 0.000 0.918 175 Q HN 0.307 nan 8.270 nan 0.000 0.444 176 L N -0.289 121.067 121.223 0.222 0.000 2.201 176 L HA -0.175 4.166 4.340 0.001 0.000 0.212 176 L C 2.100 179.070 176.870 0.168 0.000 1.105 176 L CA 0.436 55.418 54.840 0.236 0.000 0.775 176 L CB -0.199 41.981 42.059 0.202 0.000 0.913 176 L HN 0.356 nan 8.230 nan 0.000 0.440 177 C N -0.170 119.206 119.300 0.127 0.000 2.472 177 C HA -0.081 4.379 4.460 0.001 0.000 0.278 177 C C 1.831 176.897 174.990 0.128 0.000 1.447 177 C CA 0.091 59.110 59.018 0.001 0.000 1.773 177 C CB -0.969 26.937 27.740 0.277 0.000 1.793 177 C HN 0.484 nan 8.230 nan 0.000 0.544 178 D N -0.646 119.810 120.400 0.092 0.000 2.363 178 D HA 0.028 4.668 4.640 0.001 0.000 0.226 178 D C 0.166 176.419 176.300 -0.078 0.000 1.020 178 D CA 0.567 54.573 54.000 0.010 0.000 0.892 178 D CB -0.121 40.649 40.800 -0.051 0.000 0.900 178 D HN 0.485 nan 8.370 nan 0.000 0.531 179 Y N 0.945 121.297 120.300 0.087 0.000 2.299 179 Y HA 0.095 4.646 4.550 0.001 0.000 0.326 179 Y C 1.621 177.628 175.900 0.178 0.000 1.164 179 Y CA -0.472 57.704 58.100 0.126 0.000 1.234 179 Y CB 1.036 39.567 38.460 0.118 0.000 1.219 179 Y HN -0.211 nan 8.280 nan 0.000 0.497 180 D N 1.246 121.847 120.400 0.336 0.000 2.194 180 D HA -0.029 4.612 4.640 0.001 0.000 0.204 180 D C -0.273 176.197 176.300 0.283 0.000 0.964 180 D CA 1.228 55.390 54.000 0.271 0.000 0.846 180 D CB 0.430 41.327 40.800 0.162 0.000 0.962 180 D HN 0.204 nan 8.370 nan 0.000 0.490 181 L N 0.922 122.303 121.223 0.263 0.000 2.436 181 L HA 0.326 4.667 4.340 0.001 0.000 0.268 181 L C -1.883 175.125 176.870 0.230 0.000 0.974 181 L CA -0.615 54.343 54.840 0.198 0.000 0.826 181 L CB 2.170 44.205 42.059 -0.039 0.000 1.291 181 L HN -0.291 nan 8.230 nan 0.000 0.406 182 L N 4.710 126.076 121.223 0.239 0.000 2.343 182 L HA 0.683 5.024 4.340 0.001 0.000 0.278 182 L C 0.379 177.326 176.870 0.129 0.000 0.996 182 L CA -0.291 54.603 54.840 0.090 0.000 0.831 182 L CB 0.995 43.018 42.059 -0.060 0.000 1.232 182 L HN 0.790 nan 8.230 nan 0.000 0.413 183 G N 2.859 111.753 108.800 0.156 0.000 2.356 183 G HA2 0.655 4.616 3.960 0.001 0.000 0.322 183 G HA3 0.655 4.616 3.960 0.001 0.000 0.322 183 G C -1.131 173.536 174.900 -0.389 0.000 1.125 183 G CA -0.150 45.222 45.100 0.454 0.000 0.885 183 G HN 0.282 nan 8.290 nan 0.000 0.467 184 F N -0.288 119.742 119.950 0.133 0.000 2.579 184 F HA 0.372 4.900 4.527 0.001 0.000 0.324 184 F C 1.432 177.308 175.800 0.126 0.000 1.058 184 F CA -0.947 57.002 58.000 -0.084 0.000 0.944 184 F CB 2.290 41.288 39.000 -0.004 0.000 1.245 184 F HN 0.294 nan 8.300 nan 0.000 0.477 185 Q N 0.099 120.057 119.800 0.264 0.000 2.123 185 Q HA -0.019 4.322 4.340 0.001 0.000 0.199 185 Q C 0.825 177.016 176.000 0.319 0.000 0.966 185 Q CA 1.493 57.522 55.803 0.377 0.000 0.845 185 Q CB -0.021 28.891 28.738 0.291 0.000 0.907 185 Q HN 0.825 nan 8.270 nan 0.000 0.439 186 T N -3.524 111.182 114.554 0.254 0.000 2.864 186 T HA 0.324 4.674 4.350 0.001 0.000 0.289 186 T C 0.667 175.443 174.700 0.126 0.000 1.082 186 T CA -0.609 61.597 62.100 0.178 0.000 1.009 186 T CB 2.052 71.002 68.868 0.137 0.000 1.234 186 T HN -0.151 nan 8.240 nan 0.000 0.526 187 E N 0.578 120.827 120.200 0.081 0.000 2.106 187 E HA -0.076 4.274 4.350 0.001 0.000 0.192 187 E C 1.663 178.260 176.600 -0.005 0.000 0.984 187 E CA 1.662 58.082 56.400 0.033 0.000 0.806 187 E CB -0.374 29.345 29.700 0.032 0.000 0.750 187 E HN 0.614 nan 8.360 nan 0.000 0.458 188 N N 0.927 119.639 118.700 0.020 0.000 2.244 188 N HA -0.111 4.629 4.740 0.001 0.000 0.183 188 N C 1.065 176.571 175.510 -0.007 0.000 1.016 188 N CA 1.252 54.310 53.050 0.013 0.000 0.866 188 N CB -0.245 38.268 38.487 0.045 0.000 0.980 188 N HN 0.244 nan 8.380 nan 0.000 0.430 189 D N 0.423 120.828 120.400 0.008 0.000 2.097 189 D HA -0.145 4.496 4.640 0.001 0.000 0.195 189 D C 1.953 177.986 176.300 -0.445 0.000 0.989 189 D CA 0.761 54.746 54.000 -0.025 0.000 0.827 189 D CB -0.140 40.763 40.800 0.173 0.000 0.966 189 D HN 0.264 nan 8.370 nan 0.000 0.456 190 R N 0.084 120.258 120.500 -0.543 0.000 2.080 190 R HA -0.157 4.184 4.340 0.001 0.000 0.236 190 R C 2.255 178.294 176.300 -0.436 0.000 1.137 190 R CA 0.970 56.606 56.100 -0.773 0.000 0.943 190 R CB -0.263 29.855 30.300 -0.303 0.000 0.846 190 R HN 0.060 nan 8.270 nan 0.000 0.431 191 L N 0.489 121.574 121.223 -0.230 0.000 2.046 191 L HA -0.105 4.236 4.340 0.001 0.000 0.208 191 L C 2.512 179.286 176.870 -0.160 0.000 1.077 191 L CA 2.049 56.799 54.840 -0.150 0.000 0.747 191 L CB -1.060 40.952 42.059 -0.078 0.000 0.896 191 L HN 0.280 nan 8.230 nan 0.000 0.432 192 A N -0.995 121.749 122.820 -0.126 0.000 1.883 192 A HA -0.295 4.025 4.320 0.001 0.000 0.217 192 A C 2.305 179.807 177.584 -0.138 0.000 1.186 192 A CA 1.908 53.918 52.037 -0.044 0.000 0.624 192 A CB -1.049 18.015 19.000 0.108 0.000 0.822 192 A HN 0.413 nan 8.150 nan 0.000 0.444 193 F N 0.258 119.840 119.950 -0.612 0.000 2.102 193 F HA -0.154 4.374 4.527 0.001 0.000 0.298 193 F C 1.759 177.267 175.800 -0.486 0.000 1.105 193 F CA 1.614 59.017 58.000 -0.995 0.000 1.239 193 F CB -0.359 37.816 39.000 -1.375 0.000 0.991 193 F HN 0.133 nan 8.300 nan 0.000 0.474 194 L N 0.714 121.609 121.223 -0.546 0.000 2.083 194 L HA -0.217 4.124 4.340 0.001 0.000 0.209 194 L C 2.270 178.921 176.870 -0.365 0.000 1.083 194 L CA 1.652 56.197 54.840 -0.491 0.000 0.752 194 L CB -1.411 40.475 42.059 -0.289 0.000 0.899 194 L HN 0.205 nan 8.230 nan 0.000 0.433 195 D N -1.051 119.196 120.400 -0.256 0.000 2.104 195 D HA -0.192 4.449 4.640 0.001 0.000 0.194 195 D C 2.260 178.474 176.300 -0.143 0.000 0.994 195 D CA 1.628 55.534 54.000 -0.156 0.000 0.830 195 D CB 0.094 40.839 40.800 -0.091 0.000 0.959 195 D HN 0.361 nan 8.370 nan 0.000 0.452 196 C N 0.385 119.587 119.300 -0.163 0.000 2.413 196 C HA -0.147 4.314 4.460 0.001 0.000 0.276 196 C C 2.738 177.677 174.990 -0.085 0.000 1.236 196 C CA 0.041 59.025 59.018 -0.056 0.000 1.735 196 C CB -1.079 26.641 27.740 -0.033 0.000 2.031 196 C HN 0.338 nan 8.230 nan 0.000 0.474 197 L N 0.965 122.003 121.223 -0.309 0.000 1.989 197 L HA -0.137 4.203 4.340 0.001 0.000 0.211 197 L C 2.772 179.514 176.870 -0.212 0.000 1.071 197 L CA 2.199 56.861 54.840 -0.297 0.000 0.749 197 L CB -1.007 40.741 42.059 -0.519 0.000 0.890 197 L HN 0.329 nan 8.230 nan 0.000 0.431 198 S N -0.797 114.778 115.700 -0.208 0.000 2.423 198 S HA -0.228 4.243 4.470 0.001 0.000 0.238 198 S C 1.794 176.344 174.600 -0.084 0.000 1.028 198 S CA 1.648 59.761 58.200 -0.146 0.000 1.000 198 S CB -0.385 62.739 63.200 -0.128 0.000 0.797 198 S HN 0.570 nan 8.310 nan 0.000 0.487 199 N N 0.721 119.396 118.700 -0.041 0.000 2.270 199 N HA 0.116 4.856 4.740 0.001 0.000 0.181 199 N C 1.562 177.102 175.510 0.050 0.000 1.016 199 N CA 0.652 53.711 53.050 0.015 0.000 0.870 199 N CB -0.223 38.297 38.487 0.054 0.000 0.979 199 N HN 0.360 nan 8.380 nan 0.000 0.431 200 L N -1.381 119.877 121.223 0.058 0.000 2.145 200 L HA 0.102 4.442 4.340 0.001 0.000 0.201 200 L C 0.577 177.461 176.870 0.023 0.000 1.075 200 L CA 0.853 55.760 54.840 0.111 0.000 0.773 200 L CB 0.211 42.389 42.059 0.198 0.000 0.936 200 L HN 0.128 nan 8.230 nan 0.000 0.451 201 T N -1.626 112.843 114.554 -0.141 0.000 2.787 201 T HA 0.272 4.622 4.350 0.001 0.000 0.297 201 T C -0.855 173.684 174.700 -0.269 0.000 1.221 201 T CA -0.683 61.249 62.100 -0.280 0.000 1.006 201 T CB 1.884 70.297 68.868 -0.758 0.000 1.328 201 T HN 0.058 nan 8.240 nan 0.000 0.509 202 R N 1.622 121.974 120.500 -0.245 0.000 2.347 202 R HA 0.553 4.894 4.340 0.001 0.000 0.304 202 R C -0.423 175.750 176.300 -0.211 0.000 1.072 202 R CA -0.405 55.588 56.100 -0.178 0.000 0.980 202 R CB 0.196 30.425 30.300 -0.118 0.000 0.986 202 R HN 0.486 nan 8.270 nan 0.000 0.448 203 V N 1.244 121.062 119.914 -0.160 0.000 2.459 203 V HA 0.502 4.623 4.120 0.001 0.000 0.295 203 V C -0.432 175.616 176.094 -0.077 0.000 1.029 203 V CA -0.638 61.584 62.300 -0.130 0.000 0.874 203 V CB 1.928 33.674 31.823 -0.129 0.000 0.985 203 V HN 0.704 nan 8.190 nan 0.000 0.438 204 T N 3.498 118.013 114.554 -0.066 0.000 2.743 204 T HA 0.373 4.723 4.350 0.001 0.000 0.292 204 T C 0.348 175.021 174.700 -0.044 0.000 0.972 204 T CA -0.028 62.041 62.100 -0.053 0.000 0.967 204 T CB 0.818 69.651 68.868 -0.058 0.000 0.926 204 T HN 0.887 nan 8.240 nan 0.000 0.459 205 T N 4.036 118.576 114.554 -0.024 0.000 3.316 205 T HA 0.143 4.494 4.350 0.001 0.000 0.341 205 T C 1.593 176.236 174.700 -0.094 0.000 1.397 205 T CA -0.586 61.484 62.100 -0.050 0.000 1.085 205 T CB 0.344 69.225 68.868 0.021 0.000 1.160 205 T HN 0.491 nan 8.240 nan 0.000 0.694 206 R N 3.009 123.435 120.500 -0.124 0.000 2.136 206 R HA -0.140 4.200 4.340 0.001 0.000 0.242 206 R C 0.868 177.110 176.300 -0.097 0.000 1.131 206 R CA 2.164 58.202 56.100 -0.103 0.000 0.937 206 R CB -0.175 30.058 30.300 -0.111 0.000 0.863 206 R HN 0.604 nan 8.270 nan 0.000 0.435 207 S N -2.501 113.121 115.700 -0.129 0.000 2.685 207 S HA 0.729 5.200 4.470 0.001 0.000 0.282 207 S C -0.907 173.608 174.600 -0.142 0.000 1.159 207 S CA -0.718 57.418 58.200 -0.107 0.000 0.833 207 S CB 1.098 64.246 63.200 -0.087 0.000 1.151 207 S HN 0.463 nan 8.310 nan 0.000 0.485 208 A N 1.058 123.821 122.820 -0.096 0.000 2.573 208 A HA 0.320 4.641 4.320 0.001 0.000 0.250 208 A C 0.870 178.376 177.584 -0.129 0.000 1.049 208 A CA 0.772 52.759 52.037 -0.083 0.000 0.767 208 A CB -1.186 17.789 19.000 -0.041 0.000 0.965 208 A HN 1.108 nan 8.150 nan 0.000 0.514 209 K N -0.322 119.988 120.400 -0.150 0.000 3.341 209 K HA -0.148 4.172 4.320 0.001 0.000 0.305 209 K C 0.120 176.474 176.600 -0.410 0.000 1.270 209 K CA 1.183 57.393 56.287 -0.129 0.000 0.897 209 K CB -1.854 30.652 32.500 0.010 0.000 1.264 209 K HN 0.838 nan 8.250 nan 0.000 0.468 210 S N 0.495 115.747 115.700 -0.746 0.000 2.561 210 S HA 0.485 4.956 4.470 0.001 0.000 0.303 210 S C -1.001 173.086 174.600 -0.854 0.000 1.110 210 S CA -0.774 57.047 58.200 -0.633 0.000 1.034 210 S CB 0.791 63.815 63.200 -0.294 0.000 1.010 210 S HN 0.291 nan 8.310 nan 0.000 0.482 211 H N 1.849 120.679 119.070 -0.400 0.000 2.928 211 H HA 0.551 5.107 4.556 0.001 0.000 0.371 211 H C -0.885 174.057 175.328 -0.642 0.000 1.186 211 H CA -0.738 54.973 56.048 -0.561 0.000 1.134 211 H CB 1.928 31.243 29.762 -0.746 0.000 1.824 211 H HN 0.497 nan 8.280 nan 0.000 0.554 212 T N 1.042 115.444 114.554 -0.254 0.000 2.886 212 T HA 0.682 5.032 4.350 0.001 0.000 0.292 212 T C -0.828 173.854 174.700 -0.031 0.000 1.012 212 T CA -0.666 61.363 62.100 -0.118 0.000 0.982 212 T CB 1.799 70.636 68.868 -0.052 0.000 1.018 212 T HN 0.785 nan 8.240 nan 0.000 0.451 213 A N 1.926 124.812 122.820 0.110 0.000 2.547 213 A HA 0.627 4.948 4.320 0.001 0.000 0.297 213 A C -0.708 176.967 177.584 0.152 0.000 1.056 213 A CA -0.761 51.247 52.037 -0.049 0.000 0.688 213 A CB 0.767 19.648 19.000 -0.199 0.000 1.282 213 A HN 0.925 nan 8.150 nan 0.000 0.400 214 W N 1.562 122.929 121.300 0.111 0.000 5.692 214 W HA -0.272 4.388 4.660 0.001 0.000 0.371 214 W C 1.307 177.879 176.519 0.088 0.000 1.354 214 W CA 1.659 59.058 57.345 0.091 0.000 0.955 214 W CB -1.838 27.679 29.460 0.095 0.000 2.465 214 W HN 2.483 nan 8.180 nan 0.000 1.554 215 G N -0.889 108.040 108.800 0.216 0.000 2.396 215 G HA2 -0.380 3.581 3.960 0.001 0.000 0.242 215 G HA3 -0.380 3.581 3.960 0.001 0.000 0.242 215 G C 0.675 175.683 174.900 0.179 0.000 1.069 215 G CA 0.905 46.102 45.100 0.162 0.000 0.633 215 G HN 0.289 nan 8.290 nan 0.000 0.517 216 K N 1.341 121.905 120.400 0.274 0.000 2.382 216 K HA 0.562 4.882 4.320 0.001 0.000 0.275 216 K C 0.428 177.213 176.600 0.309 0.000 1.009 216 K CA 0.404 56.870 56.287 0.299 0.000 0.970 216 K CB 1.038 33.772 32.500 0.389 0.000 0.934 216 K HN 0.661 nan 8.250 nan 0.000 0.479 217 A N 2.819 125.796 122.820 0.263 0.000 2.340 217 A HA 0.818 5.139 4.320 0.001 0.000 0.331 217 A C -0.835 176.948 177.584 0.332 0.000 1.140 217 A CA -0.675 51.463 52.037 0.169 0.000 0.801 217 A CB 0.237 19.282 19.000 0.077 0.000 1.234 217 A HN 0.687 nan 8.150 nan 0.000 0.469 218 F N -1.010 119.041 119.950 0.169 0.000 2.769 218 F HA 0.707 5.235 4.527 0.001 0.000 0.313 218 F C -1.008 174.926 175.800 0.224 0.000 1.146 218 F CA -1.028 57.094 58.000 0.203 0.000 0.934 218 F CB 1.043 40.205 39.000 0.270 0.000 1.283 218 F HN 0.575 nan 8.300 nan 0.000 0.443 219 R N 0.733 121.477 120.500 0.407 0.000 2.778 219 R HA 0.788 5.128 4.340 0.001 0.000 0.277 219 R C -1.031 175.563 176.300 0.490 0.000 0.977 219 R CA -0.775 55.511 56.100 0.309 0.000 0.950 219 R CB 2.381 32.761 30.300 0.132 0.000 1.165 219 R HN 0.934 nan 8.270 nan 0.000 0.474 220 T N -1.179 113.664 114.554 0.481 0.000 2.863 220 T HA 0.623 4.974 4.350 0.001 0.000 0.285 220 T C -0.648 174.225 174.700 0.288 0.000 1.009 220 T CA -0.838 61.541 62.100 0.465 0.000 0.989 220 T CB 2.273 71.454 68.868 0.522 0.000 1.004 220 T HN 0.520 nan 8.240 nan 0.000 0.455 221 E N 1.054 121.404 120.200 0.251 0.000 2.390 221 E HA 0.529 4.879 4.350 0.001 0.000 0.280 221 E C -1.784 174.750 176.600 -0.110 0.000 0.992 221 E CA -0.813 55.568 56.400 -0.032 0.000 0.790 221 E CB 2.196 31.739 29.700 -0.261 0.000 1.248 221 E HN 0.610 nan 8.360 nan 0.000 0.447 222 V N 4.043 123.831 119.914 -0.211 0.000 2.348 222 V HA 0.324 4.445 4.120 0.001 0.000 0.270 222 V C -0.915 175.085 176.094 -0.156 0.000 1.037 222 V CA -0.269 62.011 62.300 -0.034 0.000 0.872 222 V CB 0.111 31.973 31.823 0.065 0.000 1.002 222 V HN 0.541 nan 8.190 nan 0.000 0.464 223 Y N 6.084 126.709 120.300 0.541 0.000 2.842 223 Y HA 0.404 4.954 4.550 0.001 0.000 0.334 223 Y C -2.400 173.957 175.900 0.760 0.000 1.019 223 Y CA -3.431 55.013 58.100 0.574 0.000 1.258 223 Y CB 0.911 39.619 38.460 0.414 0.000 1.106 223 Y HN 0.496 nan 8.280 nan 0.000 0.545 224 P HA 0.051 nan 4.420 nan 0.000 0.269 224 P C 0.331 177.857 177.300 0.377 0.000 1.252 224 P CA 0.134 63.514 63.100 0.466 0.000 0.780 224 P CB 0.631 32.515 31.700 0.307 0.000 0.829 225 I N 2.844 123.484 120.570 0.117 0.000 2.754 225 I HA 0.338 4.508 4.170 0.001 0.000 0.285 225 I C 0.863 176.878 176.117 -0.170 0.000 1.166 225 I CA 0.730 61.732 61.300 -0.496 0.000 1.417 225 I CB 0.530 38.088 38.000 -0.737 0.000 1.382 225 I HN 0.410 nan 8.210 nan 0.000 0.588 226 G N 6.167 114.860 108.800 -0.178 0.000 3.176 226 G HA2 0.650 4.611 3.960 0.001 0.000 0.272 226 G HA3 0.650 4.611 3.960 0.001 0.000 0.272 226 G C -1.030 173.842 174.900 -0.046 0.000 1.349 226 G CA -0.667 44.415 45.100 -0.030 0.000 0.953 226 G HN 0.686 nan 8.290 nan 0.000 0.559 227 I N -3.344 117.229 120.570 0.005 0.000 3.522 227 I HA 0.705 4.876 4.170 0.001 0.000 0.292 227 I C -0.246 175.893 176.117 0.037 0.000 1.147 227 I CA -1.351 59.956 61.300 0.012 0.000 1.032 227 I CB 2.017 40.028 38.000 0.019 0.000 1.337 227 I HN 0.432 nan 8.210 nan 0.000 0.496 228 E N 1.257 121.480 120.200 0.039 0.000 2.261 228 E HA 0.363 4.713 4.350 0.001 0.000 0.239 228 E C -2.041 174.584 176.600 0.042 0.000 0.991 228 E CA -1.862 54.566 56.400 0.047 0.000 0.847 228 E CB 0.692 30.420 29.700 0.046 0.000 1.223 228 E HN 0.439 nan 8.360 nan 0.000 0.446 229 P HA -0.174 nan 4.420 nan 0.000 0.216 229 P C 0.774 178.093 177.300 0.032 0.000 1.150 229 P CA 1.052 64.171 63.100 0.031 0.000 0.837 229 P CB 0.371 32.086 31.700 0.024 0.000 0.786 230 K N -0.467 119.953 120.400 0.033 0.000 2.025 230 K HA -0.150 4.171 4.320 0.001 0.000 0.207 230 K C 2.154 178.773 176.600 0.032 0.000 1.049 230 K CA 1.252 57.558 56.287 0.031 0.000 0.933 230 K CB -0.754 31.765 32.500 0.031 0.000 0.714 230 K HN 0.005 nan 8.250 nan 0.000 0.438 231 E N 0.731 120.952 120.200 0.036 0.000 2.077 231 E HA -0.107 4.243 4.350 0.001 0.000 0.193 231 E C 1.706 178.330 176.600 0.039 0.000 0.989 231 E CA 1.306 57.728 56.400 0.036 0.000 0.800 231 E CB -0.212 29.511 29.700 0.039 0.000 0.746 231 E HN 0.269 nan 8.360 nan 0.000 0.452 232 I N 0.333 120.930 120.570 0.045 0.000 2.226 232 I HA -0.290 3.881 4.170 0.001 0.000 0.245 232 I C 2.344 178.487 176.117 0.043 0.000 1.100 232 I CA 1.088 62.421 61.300 0.054 0.000 1.374 232 I CB -0.393 37.645 38.000 0.064 0.000 1.057 232 I HN 0.195 nan 8.210 nan 0.000 0.413 233 A N 0.939 123.779 122.820 0.034 0.000 1.908 233 A HA -0.228 4.092 4.320 0.001 0.000 0.218 233 A C 2.306 179.902 177.584 0.020 0.000 1.181 233 A CA 1.634 53.686 52.037 0.025 0.000 0.627 233 A CB -0.386 18.629 19.000 0.025 0.000 0.818 233 A HN 0.238 nan 8.150 nan 0.000 0.445 234 K N 0.411 120.824 120.400 0.023 0.000 1.991 234 K HA -0.225 4.095 4.320 0.001 0.000 0.212 234 K C 2.178 178.787 176.600 0.016 0.000 1.049 234 K CA 1.934 58.232 56.287 0.019 0.000 0.932 234 K CB -0.983 31.529 32.500 0.021 0.000 0.717 234 K HN 0.903 nan 8.250 nan 0.000 0.441 235 Q N 0.390 120.202 119.800 0.020 0.000 2.224 235 Q HA 0.053 4.393 4.340 0.001 0.000 0.203 235 Q C 2.048 178.052 176.000 0.007 0.000 0.970 235 Q CA 1.237 57.048 55.803 0.015 0.000 0.865 235 Q CB -0.363 28.386 28.738 0.019 0.000 0.922 235 Q HN 0.236 nan 8.270 nan 0.000 0.445 236 A N 1.844 124.671 122.820 0.011 0.000 1.898 236 A HA 0.045 4.365 4.320 0.001 0.000 0.216 236 A C 2.354 179.935 177.584 -0.005 0.000 1.181 236 A CA 1.517 53.553 52.037 -0.001 0.000 0.620 236 A CB -0.712 18.293 19.000 0.007 0.000 0.819 236 A HN 0.503 nan 8.150 nan 0.000 0.442 237 A N -0.279 122.542 122.820 0.002 0.000 2.206 237 A HA 0.424 4.745 4.320 0.001 0.000 0.211 237 A C 1.489 179.076 177.584 0.005 0.000 1.158 237 A CA 0.761 52.799 52.037 0.003 0.000 0.761 237 A CB -1.070 17.932 19.000 0.003 0.000 0.801 237 A HN 0.725 nan 8.150 nan 0.000 0.473 238 G N 0.761 109.564 108.800 0.006 0.000 2.699 238 G HA2 0.392 4.353 3.960 0.001 0.000 0.246 238 G HA3 0.392 4.353 3.960 0.001 0.000 0.246 238 G C -1.477 173.428 174.900 0.008 0.000 1.219 238 G CA -0.507 44.596 45.100 0.006 0.000 0.866 238 G HN 0.328 nan 8.290 nan 0.000 0.572 246 Q N 0.463 120.234 119.800 -0.048 0.000 2.234 246 Q HA -0.200 4.141 4.340 0.001 0.000 0.206 246 Q C 1.959 177.921 176.000 -0.063 0.000 0.980 246 Q CA 2.019 57.794 55.803 -0.046 0.000 0.869 246 Q CB -0.294 28.430 28.738 -0.023 0.000 0.912 246 Q HN 0.926 nan 8.270 nan 0.000 0.436 247 L N -0.751 120.425 121.223 -0.077 0.000 2.131 247 L HA -0.100 4.241 4.340 0.001 0.000 0.210 247 L C 2.262 179.027 176.870 -0.174 0.000 1.092 247 L CA 1.918 56.699 54.840 -0.098 0.000 0.759 247 L CB -0.634 41.374 42.059 -0.085 0.000 0.903 247 L HN -0.063 nan 8.230 nan 0.000 0.435 248 K N 0.475 120.724 120.400 -0.251 0.000 2.057 248 K HA -0.039 4.282 4.320 0.001 0.000 0.206 248 K C 2.131 178.623 176.600 -0.180 0.000 1.050 248 K CA 1.176 57.270 56.287 -0.323 0.000 0.935 248 K CB -0.238 32.031 32.500 -0.386 0.000 0.715 248 K HN 0.481 nan 8.250 nan 0.000 0.439 249 A N 0.640 123.387 122.820 -0.121 0.000 2.067 249 A HA -0.157 4.163 4.320 0.001 0.000 0.219 249 A C 1.789 179.338 177.584 -0.058 0.000 1.158 249 A CA 1.628 53.619 52.037 -0.076 0.000 0.661 249 A CB -0.277 18.691 19.000 -0.055 0.000 0.801 249 A HN 0.444 nan 8.150 nan 0.000 0.452 250 E N -1.189 118.974 120.200 -0.062 0.000 2.340 250 E HA 0.080 4.431 4.350 0.001 0.000 0.194 250 E C 0.261 176.841 176.600 -0.033 0.000 0.996 250 E CA 0.311 56.690 56.400 -0.035 0.000 0.869 250 E CB 0.187 29.874 29.700 -0.021 0.000 0.835 250 E HN 0.288 nan 8.360 nan 0.000 0.493 251 L N 1.957 123.143 121.223 -0.063 0.000 3.100 251 L HA 0.171 4.511 4.340 0.001 0.000 0.259 251 L C 0.950 177.791 176.870 -0.048 0.000 1.316 251 L CA 0.158 54.968 54.840 -0.049 0.000 0.992 251 L CB 0.493 42.512 42.059 -0.068 0.000 1.390 251 L HN 0.127 nan 8.230 nan 0.000 0.550 252 K N -0.170 120.207 120.400 -0.038 0.000 2.486 252 K HA -0.066 4.254 4.320 0.001 0.000 0.194 252 K C 0.754 177.349 176.600 -0.008 0.000 1.033 252 K CA 0.904 57.175 56.287 -0.026 0.000 1.004 252 K CB 0.150 32.635 32.500 -0.026 0.000 0.798 252 K HN 0.402 nan 8.250 nan 0.000 0.495 253 N N 0.263 118.961 118.700 -0.003 0.000 2.368 253 N HA -0.010 4.730 4.740 0.001 0.000 0.178 253 N C 0.327 175.847 175.510 0.017 0.000 1.021 253 N CA -0.082 52.970 53.050 0.005 0.000 0.875 253 N CB -0.083 38.406 38.487 0.003 0.000 1.020 253 N HN -0.109 nan 8.380 nan 0.000 0.433 254 V N 1.912 121.844 119.914 0.029 0.000 2.461 254 V HA 0.130 4.250 4.120 0.001 0.000 0.275 254 V C -0.130 175.999 176.094 0.058 0.000 1.047 254 V CA -0.509 61.827 62.300 0.060 0.000 0.955 254 V CB 1.126 33.004 31.823 0.092 0.000 0.988 254 V HN 0.296 nan 8.190 nan 0.000 0.471 255 Q N 4.159 124.003 119.800 0.073 0.000 2.286 255 Q HA 0.299 4.639 4.340 0.001 0.000 0.257 255 Q C -0.420 175.635 176.000 0.091 0.000 0.941 255 Q CA -0.215 55.631 55.803 0.073 0.000 0.912 255 Q CB 0.855 29.628 28.738 0.058 0.000 1.192 255 Q HN 0.619 nan 8.270 nan 0.000 0.410 256 N N 3.320 122.081 118.700 0.102 0.000 2.425 256 N HA 0.319 5.060 4.740 0.001 0.000 0.268 256 N C -0.761 174.834 175.510 0.141 0.000 0.991 256 N CA -0.186 52.935 53.050 0.119 0.000 0.931 256 N CB 1.188 39.759 38.487 0.139 0.000 1.130 256 N HN 0.422 nan 8.380 nan 0.000 0.493 257 I N 2.575 123.226 120.570 0.135 0.000 2.342 257 I HA 0.313 4.483 4.170 0.001 0.000 0.291 257 I C -0.432 175.857 176.117 0.287 0.000 1.010 257 I CA -0.510 60.871 61.300 0.135 0.000 1.308 257 I CB 0.516 38.518 38.000 0.003 0.000 1.400 257 I HN 0.313 nan 8.210 nan 0.000 0.488 258 F N 5.065 125.062 119.950 0.079 0.000 2.556 258 F HA 0.622 5.150 4.527 0.001 0.000 0.314 258 F C -0.525 175.343 175.800 0.115 0.000 1.106 258 F CA -0.204 57.851 58.000 0.091 0.000 0.911 258 F CB 1.917 40.953 39.000 0.061 0.000 1.190 258 F HN 0.328 nan 8.300 nan 0.000 0.448 259 S N 3.597 118.890 115.700 -0.678 0.000 2.541 259 S HA 0.799 5.269 4.470 0.001 0.000 0.280 259 S C -1.720 172.465 174.600 -0.693 0.000 1.112 259 S CA -0.726 57.224 58.200 -0.417 0.000 0.925 259 S CB 2.037 65.226 63.200 -0.019 0.000 1.067 259 S HN 0.680 nan 8.310 nan 0.000 0.479 260 V N 3.755 123.486 119.914 -0.305 0.000 2.851 260 V HA 0.847 4.967 4.120 0.001 0.000 0.307 260 V C -1.952 174.135 176.094 -0.011 0.000 1.129 260 V CA -0.249 61.940 62.300 -0.184 0.000 0.932 260 V CB 1.621 33.362 31.823 -0.137 0.000 1.024 260 V HN 1.042 nan 8.190 nan 0.000 0.426 261 E N 4.990 125.194 120.200 0.007 0.000 2.398 261 E HA 0.338 4.689 4.350 0.001 0.000 0.280 261 E C -1.319 175.313 176.600 0.053 0.000 1.122 261 E CA -1.109 55.320 56.400 0.050 0.000 0.873 261 E CB 1.337 31.070 29.700 0.056 0.000 1.294 261 E HN 0.665 nan 8.360 nan 0.000 0.435 262 R N 0.419 120.957 120.500 0.063 0.000 2.698 262 R HA 0.119 4.459 4.340 0.001 0.000 0.266 262 R C 0.284 176.616 176.300 0.054 0.000 1.026 262 R CA -0.099 56.031 56.100 0.051 0.000 1.102 262 R CB 0.294 30.609 30.300 0.026 0.000 0.978 262 R HN 0.440 nan 8.270 nan 0.000 0.436 263 L N 3.668 124.928 121.223 0.061 0.000 2.462 263 L HA 0.072 4.412 4.340 0.001 0.000 0.283 263 L C -0.525 176.415 176.870 0.117 0.000 1.166 263 L CA 0.380 55.267 54.840 0.078 0.000 0.964 263 L CB -0.120 41.996 42.059 0.095 0.000 1.294 263 L HN 0.540 nan 8.230 nan 0.000 0.449 264 D N 2.273 122.702 120.400 0.048 0.000 2.934 264 D HA 0.050 4.691 4.640 0.001 0.000 0.230 264 D C 0.393 176.595 176.300 -0.163 0.000 1.204 264 D CA -0.469 53.508 54.000 -0.039 0.000 0.873 264 D CB 1.436 42.242 40.800 0.010 0.000 1.645 264 D HN 0.445 nan 8.370 nan 0.000 0.502 265 Y N 1.451 121.645 120.300 -0.176 0.000 2.403 265 Y HA -0.102 4.449 4.550 0.001 0.000 0.291 265 Y C 2.066 177.929 175.900 -0.061 0.000 1.143 265 Y CA 1.040 59.052 58.100 -0.148 0.000 1.257 265 Y CB -0.580 37.747 38.460 -0.221 0.000 0.984 265 Y HN 0.226 nan 8.280 nan 0.000 0.550 266 S N 0.084 115.745 115.700 -0.066 0.000 2.419 266 S HA -0.149 4.321 4.470 0.001 0.000 0.233 266 S C 1.594 176.217 174.600 0.039 0.000 1.016 266 S CA 0.834 59.035 58.200 0.001 0.000 0.974 266 S CB -0.244 62.834 63.200 -0.204 0.000 0.786 266 S HN 0.366 nan 8.310 nan 0.000 0.492 267 K N 1.092 121.506 120.400 0.023 0.000 2.418 267 K HA 0.203 4.523 4.320 0.001 0.000 0.195 267 K C 1.451 178.050 176.600 -0.001 0.000 1.035 267 K CA 0.644 56.947 56.287 0.027 0.000 1.003 267 K CB -1.053 31.464 32.500 0.028 0.000 0.793 267 K HN 0.615 nan 8.250 nan 0.000 0.494 268 G N 2.148 110.938 108.800 -0.016 0.000 2.273 268 G HA2 -0.245 3.715 3.960 0.001 0.000 0.280 268 G HA3 -0.245 3.715 3.960 0.001 0.000 0.280 268 G C 0.646 175.503 174.900 -0.072 0.000 1.047 268 G CA 0.173 45.241 45.100 -0.053 0.000 0.869 268 G HN 0.141 nan 8.290 nan 0.000 0.502 269 L N 0.184 121.345 121.223 -0.104 0.000 2.042 269 L HA 0.009 4.350 4.340 0.001 0.000 0.210 269 L C 0.682 177.337 176.870 -0.358 0.000 1.076 269 L CA 2.626 57.342 54.840 -0.207 0.000 0.749 269 L CB -1.508 40.385 42.059 -0.276 0.000 0.893 269 L HN 0.241 nan 8.230 nan 0.000 0.432 270 P HA -0.112 nan 4.420 nan 0.000 0.217 270 P C 1.368 178.642 177.300 -0.044 0.000 1.151 270 P CA 0.956 63.913 63.100 -0.237 0.000 0.828 270 P CB 0.128 31.739 31.700 -0.148 0.000 0.788 271 E N -0.777 119.402 120.200 -0.037 0.000 2.153 271 E HA -0.163 4.187 4.350 0.001 0.000 0.194 271 E C 2.126 178.753 176.600 0.045 0.000 0.988 271 E CA 0.921 57.319 56.400 -0.003 0.000 0.811 271 E CB -0.465 29.191 29.700 -0.073 0.000 0.746 271 E HN 0.073 nan 8.360 nan 0.000 0.466 272 R N -0.602 119.937 120.500 0.065 0.000 2.066 272 R HA -0.086 4.254 4.340 0.001 0.000 0.232 272 R C 1.661 178.160 176.300 0.331 0.000 1.131 272 R CA 1.120 57.307 56.100 0.145 0.000 0.955 272 R CB -0.190 30.223 30.300 0.187 0.000 0.851 272 R HN 0.119 nan 8.270 nan 0.000 0.432 273 F N 0.570 120.583 119.950 0.105 0.000 2.171 273 F HA -0.113 4.414 4.527 0.001 0.000 0.300 273 F C 1.933 177.818 175.800 0.142 0.000 1.090 273 F CA 0.943 59.049 58.000 0.177 0.000 1.293 273 F CB -0.639 38.432 39.000 0.117 0.000 1.013 273 F HN 0.028 nan 8.300 nan 0.000 0.486 274 L N -0.836 120.553 121.223 0.277 0.000 2.093 274 L HA -0.146 4.194 4.340 0.001 0.000 0.208 274 L C 2.646 179.589 176.870 0.123 0.000 1.085 274 L CA 1.046 55.987 54.840 0.169 0.000 0.755 274 L CB -0.992 41.139 42.059 0.120 0.000 0.904 274 L HN 0.087 nan 8.230 nan 0.000 0.435 275 A N -0.663 122.222 122.820 0.108 0.000 1.898 275 A HA -0.271 4.050 4.320 0.001 0.000 0.216 275 A C 2.194 179.818 177.584 0.065 0.000 1.181 275 A CA 1.340 53.415 52.037 0.064 0.000 0.620 275 A CB -0.804 18.210 19.000 0.024 0.000 0.819 275 A HN 0.424 nan 8.150 nan 0.000 0.442 276 Y N 0.712 120.965 120.300 -0.078 0.000 2.145 276 Y HA -0.214 4.337 4.550 0.001 0.000 0.286 276 Y C 2.331 178.180 175.900 -0.085 0.000 1.145 276 Y CA 2.030 60.053 58.100 -0.129 0.000 1.148 276 Y CB -0.497 37.865 38.460 -0.164 0.000 0.981 276 Y HN 0.564 nan 8.280 nan 0.000 0.507 277 E N -0.172 119.983 120.200 -0.076 0.000 2.085 277 E HA -0.255 4.095 4.350 0.001 0.000 0.194 277 E C 2.251 178.751 176.600 -0.167 0.000 0.994 277 E CA 1.325 57.617 56.400 -0.179 0.000 0.801 277 E CB -0.351 29.383 29.700 0.056 0.000 0.743 277 E HN 0.517 nan 8.360 nan 0.000 0.453 278 A N 0.994 123.796 122.820 -0.030 0.000 1.933 278 A HA -0.164 4.157 4.320 0.001 0.000 0.218 278 A C 2.136 179.758 177.584 0.064 0.000 1.175 278 A CA 1.322 53.379 52.037 0.033 0.000 0.628 278 A CB -0.679 18.365 19.000 0.073 0.000 0.814 278 A HN 0.401 nan 8.150 nan 0.000 0.444 279 L N -0.686 120.537 121.223 -0.001 0.000 1.989 279 L HA -0.157 4.184 4.340 0.001 0.000 0.211 279 L C 2.129 179.042 176.870 0.072 0.000 1.071 279 L CA 1.817 56.684 54.840 0.045 0.000 0.749 279 L CB -0.634 41.367 42.059 -0.098 0.000 0.890 279 L HN 0.263 nan 8.230 nan 0.000 0.431 280 L N -0.318 120.757 121.223 -0.247 0.000 2.131 280 L HA -0.158 4.183 4.340 0.001 0.000 0.210 280 L C 2.613 179.452 176.870 -0.053 0.000 1.092 280 L CA 1.461 56.133 54.840 -0.280 0.000 0.759 280 L CB -1.311 40.156 42.059 -0.987 0.000 0.903 280 L HN 0.427 nan 8.230 nan 0.000 0.435 281 E N -0.088 120.072 120.200 -0.067 0.000 2.076 281 E HA -0.135 4.215 4.350 0.001 0.000 0.190 281 E C 1.774 178.428 176.600 0.089 0.000 0.979 281 E CA 1.006 57.482 56.400 0.126 0.000 0.807 281 E CB 0.284 30.063 29.700 0.131 0.000 0.761 281 E HN 0.424 nan 8.360 nan 0.000 0.454 282 K N -1.110 119.323 120.400 0.055 0.000 2.355 282 K HA 0.079 4.399 4.320 0.001 0.000 0.198 282 K C -0.272 176.082 176.600 -0.410 0.000 1.039 282 K CA -0.034 56.156 56.287 -0.161 0.000 1.075 282 K CB 0.687 33.057 32.500 -0.218 0.000 0.870 282 K HN 0.012 nan 8.250 nan 0.000 0.540 283 Y N 0.643 120.956 120.300 0.021 0.000 2.562 283 Y HA 0.199 4.749 4.550 0.001 0.000 0.363 283 Y C -1.967 173.908 175.900 -0.041 0.000 0.991 283 Y CA -2.165 55.944 58.100 0.015 0.000 1.121 283 Y CB 0.905 39.457 38.460 0.153 0.000 1.159 283 Y HN -0.023 nan 8.280 nan 0.000 0.651 284 P HA -0.245 nan 4.420 nan 0.000 0.222 284 P C 1.296 178.404 177.300 -0.320 0.000 1.147 284 P CA 1.328 64.160 63.100 -0.447 0.000 0.790 284 P CB 0.376 31.829 31.700 -0.411 0.000 0.780 285 Q N -0.386 119.282 119.800 -0.220 0.000 2.308 285 Q HA -0.211 4.130 4.340 0.001 0.000 0.209 285 Q C 1.248 177.097 176.000 -0.251 0.000 0.985 285 Q CA 1.548 57.200 55.803 -0.251 0.000 0.881 285 Q CB -1.389 27.175 28.738 -0.290 0.000 0.917 285 Q HN 0.464 nan 8.270 nan 0.000 0.443 286 H N 0.031 119.124 119.070 0.038 0.000 2.553 286 H HA 0.178 4.735 4.556 0.001 0.000 0.265 286 H C 0.007 175.333 175.328 -0.003 0.000 0.964 286 H CA -0.103 55.976 56.048 0.051 0.000 1.156 286 H CB -0.064 29.762 29.762 0.108 0.000 1.411 286 H HN 0.468 nan 8.280 nan 0.000 0.558 287 H N 0.403 119.398 119.070 -0.125 0.000 3.070 287 H HA 0.042 4.598 4.556 0.001 0.000 0.313 287 H C 1.242 176.054 175.328 -0.861 0.000 0.997 287 H CA 0.613 56.386 56.048 -0.459 0.000 1.438 287 H CB 0.641 30.298 29.762 -0.174 0.000 1.455 287 H HN 0.575 nan 8.280 nan 0.000 0.575 288 G N 3.179 110.793 108.800 -1.977 0.000 2.225 288 G HA2 -0.333 3.628 3.960 0.001 0.000 0.254 288 G HA3 -0.333 3.628 3.960 0.001 0.000 0.254 288 G C 1.046 175.430 174.900 -0.861 0.000 0.988 288 G CA 0.536 44.651 45.100 -1.641 0.000 0.625 288 G HN 0.597 nan 8.290 nan 0.000 0.527 289 K N -0.037 120.088 120.400 -0.458 0.000 2.374 289 K HA 0.479 4.800 4.320 0.001 0.000 0.202 289 K C 0.914 177.551 176.600 0.061 0.000 1.040 289 K CA 0.597 56.819 56.287 -0.108 0.000 1.085 289 K CB 0.634 33.115 32.500 -0.031 0.000 0.873 289 K HN 0.723 nan 8.250 nan 0.000 0.539 290 I N -2.786 117.895 120.570 0.185 0.000 3.042 290 I HA 0.545 4.715 4.170 0.001 0.000 0.310 290 I C -1.321 175.106 176.117 0.517 0.000 1.117 290 I CA -1.279 60.196 61.300 0.292 0.000 1.003 290 I CB 2.316 40.452 38.000 0.227 0.000 1.228 290 I HN -0.218 nan 8.210 nan 0.000 0.443 291 R N 2.520 123.215 120.500 0.327 0.000 2.698 291 R HA 0.445 4.786 4.340 0.001 0.000 0.275 291 R C -2.371 173.993 176.300 0.107 0.000 1.001 291 R CA -0.635 55.599 56.100 0.223 0.000 0.896 291 R CB 2.431 32.752 30.300 0.034 0.000 1.218 291 R HN 0.779 nan 8.270 nan 0.000 0.462 292 Y N 2.062 122.218 120.300 -0.240 0.000 2.331 292 Y HA 0.441 4.991 4.550 0.001 0.000 0.334 292 Y C -1.437 174.302 175.900 -0.268 0.000 0.960 292 Y CA -0.505 57.333 58.100 -0.437 0.000 1.130 292 Y CB 2.071 39.833 38.460 -1.163 0.000 1.164 292 Y HN 0.499 nan 8.280 nan 0.000 0.458 293 T N 6.710 121.096 114.554 -0.280 0.000 2.770 293 T HA 0.293 4.644 4.350 0.001 0.000 0.283 293 T C -0.973 173.414 174.700 -0.523 0.000 0.988 293 T CA -0.529 61.401 62.100 -0.283 0.000 0.957 293 T CB 1.009 69.919 68.868 0.070 0.000 0.930 293 T HN 0.578 nan 8.240 nan 0.000 0.443 294 Q N 3.669 123.133 119.800 -0.559 0.000 2.348 294 Q HA 0.531 4.871 4.340 0.001 0.000 0.265 294 Q C -1.259 174.636 176.000 -0.175 0.000 0.998 294 Q CA -0.442 55.145 55.803 -0.360 0.000 0.831 294 Q CB 0.544 29.211 28.738 -0.118 0.000 1.251 294 Q HN 0.661 nan 8.270 nan 0.000 0.456 295 I N 2.884 123.298 120.570 -0.259 0.000 2.336 295 I HA 0.721 4.892 4.170 0.001 0.000 0.292 295 I C -0.444 175.648 176.117 -0.041 0.000 0.991 295 I CA -0.948 60.262 61.300 -0.149 0.000 1.227 295 I CB 1.684 39.558 38.000 -0.210 0.000 1.366 295 I HN 0.763 nan 8.210 nan 0.000 0.466 296 A N 8.527 131.359 122.820 0.019 0.000 3.005 296 A HA 0.509 4.829 4.320 0.001 0.000 0.308 296 A C -2.746 174.879 177.584 0.069 0.000 1.173 296 A CA -1.127 50.957 52.037 0.078 0.000 0.796 296 A CB 0.341 19.452 19.000 0.185 0.000 1.325 296 A HN 0.370 nan 8.150 nan 0.000 0.467 297 P HA 0.168 nan 4.420 nan 0.000 0.269 297 P C 0.173 177.504 177.300 0.052 0.000 1.209 297 P CA 0.512 63.655 63.100 0.071 0.000 0.776 297 P CB 0.552 32.329 31.700 0.129 0.000 0.876 298 T N 1.540 116.111 114.554 0.029 0.000 2.916 298 T HA 0.207 4.558 4.350 0.001 0.000 0.303 298 T C 0.478 175.157 174.700 -0.035 0.000 1.025 298 T CA 0.574 62.678 62.100 0.007 0.000 1.142 298 T CB -0.104 68.762 68.868 -0.005 0.000 0.947 298 T HN 0.373 nan 8.240 nan 0.000 0.544 299 S N 2.301 117.954 115.700 -0.078 0.000 2.538 299 S HA 0.434 4.905 4.470 0.001 0.000 0.288 299 S C -0.089 174.267 174.600 -0.406 0.000 1.108 299 S CA -0.919 57.164 58.200 -0.196 0.000 0.971 299 S CB 0.489 63.579 63.200 -0.183 0.000 1.041 299 S HN 0.762 nan 8.310 nan 0.000 0.483 300 R N 2.149 122.394 120.500 -0.426 0.000 3.322 300 R HA -0.169 4.172 4.340 0.001 0.000 0.253 300 R C 1.078 177.120 176.300 -0.430 0.000 0.987 300 R CA 0.661 56.429 56.100 -0.553 0.000 0.666 300 R CB -2.032 27.646 30.300 -1.036 0.000 1.072 300 R HN 0.769 nan 8.270 nan 0.000 0.447 301 G N -0.170 108.510 108.800 -0.201 0.000 2.776 301 G HA2 -0.150 3.810 3.960 0.001 0.000 0.209 301 G HA3 -0.150 3.810 3.960 0.001 0.000 0.209 301 G C 0.694 175.578 174.900 -0.027 0.000 1.145 301 G CA 0.358 45.410 45.100 -0.080 0.000 0.791 301 G HN 0.361 nan 8.290 nan 0.000 0.530 302 D N -0.062 120.313 120.400 -0.041 0.000 2.349 302 D HA 0.088 4.729 4.640 0.001 0.000 0.214 302 D C 0.707 177.023 176.300 0.027 0.000 1.063 302 D CA 0.094 54.096 54.000 0.003 0.000 0.847 302 D CB 1.086 41.891 40.800 0.007 0.000 0.933 302 D HN 0.079 nan 8.370 nan 0.000 0.513 303 V N 1.826 121.761 119.914 0.035 0.000 2.509 303 V HA 0.024 4.145 4.120 0.001 0.000 0.284 303 V C 1.461 177.666 176.094 0.185 0.000 1.047 303 V CA -0.335 62.038 62.300 0.123 0.000 0.952 303 V CB 1.957 33.900 31.823 0.200 0.000 0.988 303 V HN -0.145 nan 8.190 nan 0.000 0.469 304 Q N 4.666 124.547 119.800 0.134 0.000 2.124 304 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 304 Q C 2.041 178.100 176.000 0.099 0.000 0.977 304 Q CA 2.223 58.087 55.803 0.102 0.000 0.850 304 Q CB -0.346 28.431 28.738 0.066 0.000 0.901 304 Q HN 0.926 nan 8.270 nan 0.000 0.429 305 A N -0.995 121.885 122.820 0.099 0.000 1.969 305 A HA -0.140 4.181 4.320 0.001 0.000 0.218 305 A C 1.697 179.273 177.584 -0.014 0.000 1.169 305 A CA 1.238 53.268 52.037 -0.011 0.000 0.635 305 A CB -0.754 18.167 19.000 -0.132 0.000 0.810 305 A HN 0.527 nan 8.150 nan 0.000 0.445 306 Y N 0.053 120.421 120.300 0.113 0.000 2.220 306 Y HA -0.181 4.369 4.550 0.001 0.000 0.291 306 Y C 2.756 178.640 175.900 -0.027 0.000 1.129 306 Y CA 1.773 59.905 58.100 0.053 0.000 1.161 306 Y CB -0.375 38.081 38.460 -0.007 0.000 0.997 306 Y HN 0.391 nan 8.280 nan 0.000 0.522 307 Q N 0.043 119.907 119.800 0.106 0.000 2.084 307 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 307 Q C 1.588 177.528 176.000 -0.099 0.000 0.978 307 Q CA 1.540 57.307 55.803 -0.060 0.000 0.844 307 Q CB -0.225 28.526 28.738 0.022 0.000 0.898 307 Q HN 0.434 nan 8.270 nan 0.000 0.426 308 D N 0.772 121.187 120.400 0.025 0.000 2.127 308 D HA -0.186 4.455 4.640 0.001 0.000 0.190 308 D C 1.825 178.123 176.300 -0.003 0.000 1.000 308 D CA 1.094 55.118 54.000 0.040 0.000 0.839 308 D CB -0.202 40.605 40.800 0.012 0.000 0.955 308 D HN 0.157 nan 8.370 nan 0.000 0.446 309 I N 0.482 121.031 120.570 -0.034 0.000 2.286 309 I HA -0.197 3.974 4.170 0.001 0.000 0.248 309 I C 2.469 178.536 176.117 -0.084 0.000 1.115 309 I CA 0.850 62.116 61.300 -0.057 0.000 1.392 309 I CB -0.787 37.184 38.000 -0.048 0.000 1.065 309 I HN 0.057 nan 8.210 nan 0.000 0.418 310 R N 0.029 120.470 120.500 -0.100 0.000 2.081 310 R HA -0.187 4.153 4.340 0.001 0.000 0.235 310 R C 2.429 178.656 176.300 -0.121 0.000 1.131 310 R CA 1.384 57.408 56.100 -0.125 0.000 0.960 310 R CB -0.144 30.051 30.300 -0.176 0.000 0.856 310 R HN 0.407 nan 8.270 nan 0.000 0.436 311 H N -0.408 118.671 119.070 0.015 0.000 2.423 311 H HA -0.095 4.462 4.556 0.001 0.000 0.297 311 H C 1.983 177.298 175.328 -0.020 0.000 1.075 311 H CA 1.428 57.482 56.048 0.010 0.000 1.342 311 H CB -0.127 29.644 29.762 0.016 0.000 1.395 311 H HN 0.263 nan 8.280 nan 0.000 0.530 312 Q N 0.750 120.580 119.800 0.051 0.000 2.084 312 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 312 Q C 2.097 178.050 176.000 -0.079 0.000 0.978 312 Q CA 0.948 56.744 55.803 -0.012 0.000 0.844 312 Q CB -0.290 28.422 28.738 -0.043 0.000 0.898 312 Q HN 0.186 nan 8.270 nan 0.000 0.426 313 L N 0.690 121.798 121.223 -0.192 0.000 2.093 313 L HA -0.107 4.234 4.340 0.001 0.000 0.208 313 L C 2.048 178.757 176.870 -0.269 0.000 1.085 313 L CA 1.777 56.385 54.840 -0.386 0.000 0.755 313 L CB -0.936 40.740 42.059 -0.638 0.000 0.904 313 L HN 0.324 nan 8.230 nan 0.000 0.435 314 E N -0.553 119.578 120.200 -0.114 0.000 2.038 314 E HA -0.258 4.093 4.350 0.001 0.000 0.195 314 E C 1.954 178.585 176.600 0.052 0.000 1.000 314 E CA 1.678 58.102 56.400 0.041 0.000 0.803 314 E CB -0.204 29.582 29.700 0.145 0.000 0.750 314 E HN 0.493 nan 8.360 nan 0.000 0.448 315 N N 0.339 119.069 118.700 0.050 0.000 2.104 315 N HA -0.159 4.582 4.740 0.001 0.000 0.190 315 N C 1.650 177.202 175.510 0.070 0.000 1.024 315 N CA 1.061 54.144 53.050 0.054 0.000 0.853 315 N CB 0.076 38.591 38.487 0.047 0.000 1.008 315 N HN 0.100 nan 8.380 nan 0.000 0.424 316 E N 0.281 120.535 120.200 0.091 0.000 2.107 316 E HA -0.026 4.325 4.350 0.001 0.000 0.191 316 E C 1.971 178.690 176.600 0.199 0.000 0.982 316 E CA 0.706 57.214 56.400 0.180 0.000 0.809 316 E CB -0.339 29.522 29.700 0.268 0.000 0.756 316 E HN 0.387 nan 8.360 nan 0.000 0.459 317 A N 1.199 124.125 122.820 0.176 0.000 1.883 317 A HA -0.108 4.213 4.320 0.001 0.000 0.217 317 A C 2.497 180.111 177.584 0.051 0.000 1.186 317 A CA 2.041 54.122 52.037 0.072 0.000 0.624 317 A CB -1.148 17.913 19.000 0.100 0.000 0.822 317 A HN 0.337 nan 8.150 nan 0.000 0.444 318 G N -0.914 107.923 108.800 0.061 0.000 2.418 318 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 318 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 318 G C 1.768 176.689 174.900 0.035 0.000 1.158 318 G CA 1.039 46.164 45.100 0.041 0.000 0.771 318 G HN 0.546 nan 8.290 nan 0.000 0.545 319 R N -0.096 120.436 120.500 0.053 0.000 2.066 319 R HA 0.068 4.409 4.340 0.001 0.000 0.232 319 R C 2.600 178.938 176.300 0.063 0.000 1.131 319 R CA 1.108 57.239 56.100 0.051 0.000 0.955 319 R CB -0.307 30.032 30.300 0.065 0.000 0.851 319 R HN 0.410 nan 8.270 nan 0.000 0.432 320 I N 1.365 121.992 120.570 0.096 0.000 2.179 320 I HA -0.285 3.886 4.170 0.001 0.000 0.242 320 I C 1.854 178.043 176.117 0.119 0.000 1.088 320 I CA 1.097 62.489 61.300 0.153 0.000 1.357 320 I CB -0.391 37.692 38.000 0.140 0.000 1.051 320 I HN 0.214 nan 8.210 nan 0.000 0.409 321 N N 1.084 119.804 118.700 0.032 0.000 2.166 321 N HA -0.125 4.615 4.740 0.001 0.000 0.186 321 N C 1.878 177.375 175.510 -0.022 0.000 1.019 321 N CA 1.595 54.630 53.050 -0.025 0.000 0.856 321 N CB -0.626 37.826 38.487 -0.058 0.000 0.993 321 N HN 0.445 nan 8.380 nan 0.000 0.426 322 G N 0.449 109.242 108.800 -0.011 0.000 2.448 322 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 322 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 322 G C 1.642 176.510 174.900 -0.053 0.000 1.135 322 G CA 0.485 45.571 45.100 -0.024 0.000 0.784 322 G HN 0.302 nan 8.290 nan 0.000 0.543 323 K N -1.109 119.239 120.400 -0.086 0.000 2.128 323 K HA 0.101 4.422 4.320 0.001 0.000 0.202 323 K C 1.507 177.889 176.600 -0.364 0.000 1.050 323 K CA 0.504 56.638 56.287 -0.255 0.000 0.966 323 K CB 0.031 32.309 32.500 -0.369 0.000 0.759 323 K HN 0.380 nan 8.250 nan 0.000 0.454 324 Y N -0.196 120.081 120.300 -0.039 0.000 2.444 324 Y HA 0.288 4.839 4.550 0.001 0.000 0.249 324 Y C 1.031 176.898 175.900 -0.054 0.000 1.134 324 Y CA -0.244 57.823 58.100 -0.056 0.000 1.261 324 Y CB 0.593 38.971 38.460 -0.137 0.000 1.143 324 Y HN 0.005 nan 8.280 nan 0.000 0.523 325 G N 0.475 109.288 108.800 0.021 0.000 2.636 325 G HA2 0.418 4.379 3.960 0.001 0.000 0.246 325 G HA3 0.418 4.379 3.960 0.001 0.000 0.246 325 G C -0.456 174.515 174.900 0.118 0.000 1.216 325 G CA -0.203 44.884 45.100 -0.022 0.000 0.854 325 G HN 0.216 nan 8.290 nan 0.000 0.572 326 Q N -0.808 119.099 119.800 0.178 0.000 2.544 326 Q HA 0.335 4.675 4.340 0.001 0.000 0.291 326 Q C 1.284 177.376 176.000 0.153 0.000 1.068 326 Q CA -0.999 54.926 55.803 0.204 0.000 0.785 326 Q CB 2.188 31.116 28.738 0.316 0.000 1.481 326 Q HN 0.355 nan 8.270 nan 0.000 0.430 327 L N -0.075 121.222 121.223 0.123 0.000 2.081 327 L HA -0.152 4.189 4.340 0.001 0.000 0.212 327 L C 1.333 178.269 176.870 0.110 0.000 1.080 327 L CA 1.798 56.694 54.840 0.093 0.000 0.754 327 L CB -0.188 41.915 42.059 0.074 0.000 0.893 327 L HN 0.859 nan 8.230 nan 0.000 0.433 328 G N -2.892 106.002 108.800 0.158 0.000 3.863 328 G HA2 0.122 4.083 3.960 0.001 0.000 0.290 328 G HA3 0.122 4.083 3.960 0.001 0.000 0.290 328 G C -1.061 174.015 174.900 0.292 0.000 1.018 328 G CA -0.276 44.929 45.100 0.176 0.000 0.824 328 G HN 0.218 nan 8.290 nan 0.000 0.507 329 W N 1.510 122.857 121.300 0.078 0.000 3.089 329 W HA 0.536 5.196 4.660 0.001 0.000 0.333 329 W C -1.133 175.456 176.519 0.115 0.000 1.053 329 W CA -0.844 56.562 57.345 0.102 0.000 1.257 329 W CB 1.182 30.695 29.460 0.088 0.000 1.281 329 W HN -0.115 nan 8.180 nan 0.000 0.427 330 T N 8.327 122.739 114.554 -0.237 0.000 2.738 330 T HA 0.200 4.551 4.350 0.001 0.000 0.298 330 T C -1.736 172.631 174.700 -0.555 0.000 0.962 330 T CA -0.958 60.947 62.100 -0.325 0.000 0.972 330 T CB 1.488 70.289 68.868 -0.113 0.000 0.928 330 T HN 0.190 nan 8.240 nan 0.000 0.474 331 P HA 0.071 nan 4.420 nan 0.000 0.218 331 P C 0.075 177.360 177.300 -0.024 0.000 1.149 331 P CA 0.532 63.202 63.100 -0.717 0.000 0.817 331 P CB 0.444 31.751 31.700 -0.656 0.000 0.785 332 L N -1.002 120.217 121.223 -0.005 0.000 2.406 332 L HA 0.426 4.767 4.340 0.001 0.000 0.272 332 L C -1.368 175.539 176.870 0.063 0.000 0.980 332 L CA -1.080 53.742 54.840 -0.030 0.000 0.831 332 L CB 1.334 43.328 42.059 -0.109 0.000 1.253 332 L HN -0.236 nan 8.230 nan 0.000 0.406 333 Y N 4.731 124.873 120.300 -0.264 0.000 2.417 333 Y HA 0.281 4.831 4.550 0.001 0.000 0.336 333 Y C -0.623 175.176 175.900 -0.169 0.000 0.961 333 Y CA -0.738 57.263 58.100 -0.166 0.000 1.215 333 Y CB 0.931 39.318 38.460 -0.123 0.000 1.120 333 Y HN 0.410 nan 8.280 nan 0.000 0.499 334 Y N 4.573 124.817 120.300 -0.094 0.000 2.331 334 Y HA 0.708 5.258 4.550 0.001 0.000 0.338 334 Y C -1.664 174.245 175.900 0.015 0.000 0.992 334 Y CA -1.596 56.478 58.100 -0.043 0.000 1.121 334 Y CB 0.764 39.257 38.460 0.055 0.000 1.184 334 Y HN 0.492 nan 8.280 nan 0.000 0.469 335 L N 7.091 127.987 121.223 -0.546 0.000 2.372 335 L HA 0.355 4.695 4.340 0.001 0.000 0.273 335 L C -0.050 176.522 176.870 -0.496 0.000 0.989 335 L CA -0.438 54.150 54.840 -0.420 0.000 0.841 335 L CB 1.634 43.667 42.059 -0.044 0.000 1.225 335 L HN 0.736 nan 8.230 nan 0.000 0.414 336 N N 4.066 122.443 118.700 -0.540 0.000 3.331 336 N HA 0.211 4.951 4.740 0.001 0.000 0.303 336 N C -0.917 174.536 175.510 -0.093 0.000 1.326 336 N CA -0.169 52.701 53.050 -0.301 0.000 1.207 336 N CB 0.412 38.780 38.487 -0.198 0.000 1.477 336 N HN 0.676 nan 8.380 nan 0.000 0.541 337 Q N 0.366 120.158 119.800 -0.014 0.000 2.418 337 Q HA 0.168 4.509 4.340 0.001 0.000 0.282 337 Q C -1.332 174.731 176.000 0.105 0.000 1.044 337 Q CA -0.834 54.980 55.803 0.019 0.000 0.813 337 Q CB 2.011 30.732 28.738 -0.028 0.000 1.428 337 Q HN 0.370 nan 8.270 nan 0.000 0.402 338 H N 1.664 120.702 119.070 -0.054 0.000 2.580 338 H HA 0.375 4.932 4.556 0.001 0.000 0.322 338 H C -1.442 173.814 175.328 -0.120 0.000 1.082 338 H CA 0.061 56.102 56.048 -0.012 0.000 1.383 338 H CB 0.406 30.136 29.762 -0.053 0.000 1.450 338 H HN 0.429 nan 8.280 nan 0.000 0.505 339 F N 2.557 122.168 119.950 -0.566 0.000 2.508 339 F HA 0.127 4.655 4.527 0.001 0.000 0.325 339 F C 0.777 176.295 175.800 -0.469 0.000 1.090 339 F CA -0.749 57.040 58.000 -0.351 0.000 0.945 339 F CB 1.184 40.065 39.000 -0.199 0.000 1.156 339 F HN 0.525 nan 8.300 nan 0.000 0.463 340 D N 2.373 122.764 120.400 -0.013 0.000 2.414 340 D HA 0.037 4.678 4.640 0.001 0.000 0.242 340 D C 1.329 177.637 176.300 0.014 0.000 1.129 340 D CA 0.127 54.151 54.000 0.041 0.000 0.885 340 D CB 0.919 41.754 40.800 0.059 0.000 1.198 340 D HN 0.617 nan 8.370 nan 0.000 0.437 341 R N 2.598 123.116 120.500 0.030 0.000 2.103 341 R HA -0.215 4.125 4.340 0.001 0.000 0.242 341 R C 1.780 178.081 176.300 0.002 0.000 1.142 341 R CA 1.797 57.911 56.100 0.023 0.000 0.960 341 R CB 0.161 30.496 30.300 0.058 0.000 0.858 341 R HN 0.383 nan 8.270 nan 0.000 0.439 342 K N 0.126 120.532 120.400 0.010 0.000 2.097 342 K HA -0.149 4.172 4.320 0.001 0.000 0.206 342 K C 1.840 178.420 176.600 -0.034 0.000 1.049 342 K CA 0.888 57.174 56.287 -0.001 0.000 0.933 342 K CB -0.332 32.173 32.500 0.009 0.000 0.717 342 K HN 0.064 nan 8.250 nan 0.000 0.442 343 L N 1.014 122.219 121.223 -0.030 0.000 2.046 343 L HA -0.097 4.243 4.340 0.001 0.000 0.208 343 L C 1.688 178.449 176.870 -0.182 0.000 1.077 343 L CA 1.603 56.412 54.840 -0.052 0.000 0.747 343 L CB -0.396 41.685 42.059 0.037 0.000 0.896 343 L HN 0.170 nan 8.230 nan 0.000 0.432 344 L N -1.499 119.589 121.223 -0.225 0.000 2.083 344 L HA -0.226 4.115 4.340 0.001 0.000 0.209 344 L C 2.486 178.929 176.870 -0.712 0.000 1.083 344 L CA 0.901 55.443 54.840 -0.497 0.000 0.752 344 L CB -0.524 41.290 42.059 -0.409 0.000 0.899 344 L HN 0.311 nan 8.230 nan 0.000 0.433 345 M N -0.273 119.148 119.600 -0.300 0.000 2.159 345 M HA -0.189 4.292 4.480 0.001 0.000 0.263 345 M C 2.144 178.368 176.300 -0.126 0.000 1.063 345 M CA 1.697 56.962 55.300 -0.059 0.000 1.110 345 M CB -0.965 31.668 32.600 0.054 0.000 1.374 345 M HN 0.176 nan 8.290 nan 0.000 0.411 346 K N 0.360 120.647 120.400 -0.189 0.000 2.057 346 K HA -0.053 4.268 4.320 0.001 0.000 0.206 346 K C 1.993 178.334 176.600 -0.431 0.000 1.050 346 K CA 1.129 57.305 56.287 -0.184 0.000 0.935 346 K CB -0.263 32.179 32.500 -0.096 0.000 0.715 346 K HN 0.248 nan 8.250 nan 0.000 0.439 347 I N 0.359 120.508 120.570 -0.702 0.000 2.226 347 I HA -0.263 3.907 4.170 0.001 0.000 0.245 347 I C 1.873 177.372 176.117 -1.031 0.000 1.100 347 I CA 1.124 61.647 61.300 -1.296 0.000 1.374 347 I CB -0.306 36.885 38.000 -1.350 0.000 1.057 347 I HN -0.003 nan 8.210 nan 0.000 0.413 348 F N 0.981 120.618 119.950 -0.521 0.000 2.091 348 F HA -0.256 4.272 4.527 0.001 0.000 0.299 348 F C 2.713 178.302 175.800 -0.352 0.000 1.103 348 F CA 1.531 59.380 58.000 -0.253 0.000 1.228 348 F CB -1.061 37.868 39.000 -0.119 0.000 0.984 348 F HN -0.028 nan 8.300 nan 0.000 0.477 349 R N -0.147 120.264 120.500 -0.149 0.000 2.083 349 R HA -0.221 4.119 4.340 0.001 0.000 0.237 349 R C 2.257 178.509 176.300 -0.080 0.000 1.137 349 R CA 2.047 58.068 56.100 -0.131 0.000 0.951 349 R CB -0.688 29.567 30.300 -0.076 0.000 0.851 349 R HN 0.528 nan 8.270 nan 0.000 0.434 350 Y N -1.565 118.680 120.300 -0.090 0.000 2.529 350 Y HA 0.369 4.919 4.550 0.001 0.000 0.290 350 Y C -0.102 175.769 175.900 -0.049 0.000 1.177 350 Y CA -0.599 57.454 58.100 -0.079 0.000 1.305 350 Y CB 0.249 38.653 38.460 -0.094 0.000 1.047 350 Y HN -0.204 nan 8.280 nan 0.000 0.522 351 S N 1.922 117.619 115.700 -0.005 0.000 2.465 351 S HA 0.035 4.505 4.470 0.001 0.000 0.279 351 S C 0.029 174.746 174.600 0.194 0.000 1.201 351 S CA -0.445 57.827 58.200 0.119 0.000 1.053 351 S CB 0.940 64.243 63.200 0.171 0.000 0.953 351 S HN 0.448 nan 8.310 nan 0.000 0.488 352 D N 1.512 122.011 120.400 0.164 0.000 2.219 352 D HA 0.004 4.645 4.640 0.001 0.000 0.205 352 D C -0.032 176.365 176.300 0.161 0.000 0.970 352 D CA 0.865 54.944 54.000 0.133 0.000 0.851 352 D CB 0.178 41.030 40.800 0.087 0.000 0.943 352 D HN 0.262 nan 8.370 nan 0.000 0.488 353 V N 0.011 120.026 119.914 0.168 0.000 2.733 353 V HA 0.595 4.716 4.120 0.001 0.000 0.306 353 V C 0.172 176.235 176.094 -0.051 0.000 1.084 353 V CA -1.239 61.103 62.300 0.069 0.000 0.905 353 V CB 2.033 33.850 31.823 -0.009 0.000 1.010 353 V HN 0.032 nan 8.190 nan 0.000 0.424 354 G N 3.894 112.413 108.800 -0.468 0.000 2.347 354 G HA2 0.610 4.570 3.960 0.001 0.000 0.314 354 G HA3 0.610 4.570 3.960 0.001 0.000 0.314 354 G C -0.905 173.720 174.900 -0.459 0.000 1.126 354 G CA -0.396 44.153 45.100 -0.918 0.000 0.929 354 G HN 0.617 nan 8.290 nan 0.000 0.441 355 L N 3.856 124.924 121.223 -0.259 0.000 2.277 355 L HA 0.475 4.816 4.340 0.001 0.000 0.284 355 L C -0.751 176.039 176.870 -0.134 0.000 1.028 355 L CA -0.675 54.056 54.840 -0.182 0.000 0.835 355 L CB 1.541 43.491 42.059 -0.181 0.000 1.215 355 L HN 0.214 nan 8.230 nan 0.000 0.425 356 V N 2.926 122.765 119.914 -0.125 0.000 2.380 356 V HA 0.206 4.326 4.120 0.001 0.000 0.268 356 V C 0.318 176.384 176.094 -0.047 0.000 1.008 356 V CA -0.375 61.881 62.300 -0.073 0.000 0.823 356 V CB 1.226 33.003 31.823 -0.078 0.000 1.053 356 V HN 0.813 nan 8.190 nan 0.000 0.446 357 T N 1.210 115.745 114.554 -0.031 0.000 3.444 357 T HA 0.375 4.726 4.350 0.001 0.000 0.265 357 T C -2.303 172.396 174.700 -0.001 0.000 1.537 357 T CA -1.715 60.371 62.100 -0.024 0.000 1.530 357 T CB 0.815 69.654 68.868 -0.048 0.000 0.958 357 T HN 0.397 nan 8.240 nan 0.000 0.684 358 P HA 0.215 nan 4.420 nan 0.000 0.275 358 P C 0.708 178.053 177.300 0.076 0.000 1.228 358 P CA -0.618 62.513 63.100 0.051 0.000 0.786 358 P CB 1.142 32.892 31.700 0.084 0.000 0.927 359 L N 1.203 122.442 121.223 0.028 0.000 2.201 359 L HA 0.020 4.361 4.340 0.001 0.000 0.212 359 L C 1.234 178.106 176.870 0.002 0.000 1.105 359 L CA 1.802 56.632 54.840 -0.016 0.000 0.775 359 L CB -1.368 40.665 42.059 -0.043 0.000 0.913 359 L HN 0.542 nan 8.230 nan 0.000 0.440 360 R N -0.823 119.728 120.500 0.085 0.000 2.633 360 R HA 0.465 4.805 4.340 0.001 0.000 0.256 360 R C -1.947 174.471 176.300 0.197 0.000 1.131 360 R CA -0.483 55.677 56.100 0.100 0.000 0.994 360 R CB 0.955 31.294 30.300 0.064 0.000 1.261 360 R HN -0.157 nan 8.270 nan 0.000 0.446 361 D N 1.341 121.839 120.400 0.163 0.000 2.886 361 D HA 0.324 4.965 4.640 0.001 0.000 0.216 361 D C 0.587 176.977 176.300 0.150 0.000 1.256 361 D CA 0.099 54.210 54.000 0.184 0.000 0.844 361 D CB 2.039 42.941 40.800 0.170 0.000 1.669 361 D HN 0.507 nan 8.370 nan 0.000 0.513 362 G N 1.527 110.430 108.800 0.171 0.000 2.421 362 G HA2 -0.191 3.770 3.960 0.001 0.000 0.216 362 G HA3 -0.191 3.770 3.960 0.001 0.000 0.216 362 G C 1.006 176.023 174.900 0.194 0.000 1.171 362 G CA 1.631 46.840 45.100 0.181 0.000 0.775 362 G HN 0.413 nan 8.290 nan 0.000 0.543 363 M N -2.054 117.662 119.600 0.194 0.000 2.146 363 M HA 0.312 4.793 4.480 0.001 0.000 0.194 363 M C -0.153 176.223 176.300 0.127 0.000 1.652 363 M CA 0.167 55.563 55.300 0.161 0.000 0.986 363 M CB 0.313 33.013 32.600 0.167 0.000 1.496 363 M HN 0.176 nan 8.290 nan 0.000 0.576 364 N N 1.366 120.144 118.700 0.131 0.000 2.438 364 N HA -0.127 4.614 4.740 0.001 0.000 0.279 364 N C -0.153 175.402 175.510 0.075 0.000 1.343 364 N CA 0.507 53.620 53.050 0.105 0.000 0.632 364 N CB -0.900 37.641 38.487 0.089 0.000 0.902 364 N HN 0.532 nan 8.380 nan 0.000 0.518 365 L N 2.243 123.510 121.223 0.073 0.000 2.217 365 L HA -0.065 4.276 4.340 0.001 0.000 0.211 365 L C 2.403 179.300 176.870 0.046 0.000 1.107 365 L CA 0.688 55.558 54.840 0.050 0.000 0.783 365 L CB -0.131 41.953 42.059 0.042 0.000 0.919 365 L HN 0.361 nan 8.230 nan 0.000 0.442 366 V N 0.647 120.603 119.914 0.069 0.000 2.317 366 V HA -0.388 3.733 4.120 0.001 0.000 0.251 366 V C 2.797 178.852 176.094 -0.066 0.000 1.065 366 V CA 2.102 64.439 62.300 0.062 0.000 1.049 366 V CB -0.819 31.080 31.823 0.126 0.000 0.651 366 V HN 0.537 nan 8.190 nan 0.000 0.450 367 A N -0.898 121.903 122.820 -0.032 0.000 1.933 367 A HA -0.233 4.088 4.320 0.001 0.000 0.218 367 A C 2.299 179.867 177.584 -0.025 0.000 1.175 367 A CA 1.967 53.975 52.037 -0.047 0.000 0.628 367 A CB -0.377 18.611 19.000 -0.019 0.000 0.814 367 A HN 0.565 nan 8.150 nan 0.000 0.444 368 K N -0.481 119.910 120.400 -0.016 0.000 2.062 368 K HA -0.081 4.239 4.320 0.001 0.000 0.205 368 K C 1.942 178.521 176.600 -0.035 0.000 1.051 368 K CA 1.378 57.660 56.287 -0.010 0.000 0.941 368 K CB -0.135 32.369 32.500 0.006 0.000 0.719 368 K HN 0.589 nan 8.250 nan 0.000 0.440 369 E N -0.138 120.028 120.200 -0.057 0.000 2.153 369 E HA -0.230 4.121 4.350 0.001 0.000 0.194 369 E C 1.748 178.186 176.600 -0.271 0.000 0.988 369 E CA 1.147 57.505 56.400 -0.069 0.000 0.811 369 E CB -0.128 29.612 29.700 0.068 0.000 0.746 369 E HN 0.327 nan 8.360 nan 0.000 0.466 370 Y N 1.072 120.974 120.300 -0.664 0.000 2.114 370 Y HA -0.263 4.288 4.550 0.001 0.000 0.284 370 Y C 2.391 178.143 175.900 -0.246 0.000 1.143 370 Y CA 1.639 59.279 58.100 -0.766 0.000 1.135 370 Y CB -0.309 37.760 38.460 -0.653 0.000 0.980 370 Y HN -0.017 nan 8.280 nan 0.000 0.499 371 V N 0.659 120.552 119.914 -0.035 0.000 2.343 371 V HA -0.211 3.909 4.120 0.001 0.000 0.247 371 V C 2.238 178.360 176.094 0.047 0.000 1.051 371 V CA 2.159 64.481 62.300 0.038 0.000 1.036 371 V CB -1.371 30.502 31.823 0.084 0.000 0.654 371 V HN 0.494 nan 8.190 nan 0.000 0.451 372 A N 0.358 123.172 122.820 -0.011 0.000 1.940 372 A HA 0.007 4.327 4.320 0.001 0.000 0.219 372 A C 2.421 180.011 177.584 0.010 0.000 1.176 372 A CA 2.328 54.373 52.037 0.014 0.000 0.631 372 A CB -1.078 17.927 19.000 0.010 0.000 0.814 372 A HN 1.156 nan 8.150 nan 0.000 0.446 373 A N -1.334 121.457 122.820 -0.048 0.000 2.169 373 A HA 0.126 4.446 4.320 0.001 0.000 0.212 373 A C 0.967 178.483 177.584 -0.114 0.000 1.153 373 A CA 0.119 52.132 52.037 -0.039 0.000 0.756 373 A CB -0.130 18.905 19.000 0.058 0.000 0.813 373 A HN 0.481 nan 8.150 nan 0.000 0.471 374 Q N 1.297 120.983 119.800 -0.189 0.000 2.364 374 Q HA 0.067 4.408 4.340 0.001 0.000 0.267 374 Q C -0.485 175.390 176.000 -0.208 0.000 0.999 374 Q CA -0.107 55.519 55.803 -0.294 0.000 0.886 374 Q CB 0.417 28.834 28.738 -0.535 0.000 1.243 374 Q HN 0.422 nan 8.270 nan 0.000 0.415 375 D N 4.194 124.484 120.400 -0.184 0.000 2.412 375 D HA -0.011 4.630 4.640 0.001 0.000 0.257 375 D C -1.521 174.668 176.300 -0.184 0.000 1.217 375 D CA -1.452 52.473 54.000 -0.125 0.000 0.897 375 D CB 0.878 41.626 40.800 -0.087 0.000 1.132 375 D HN 0.209 nan 8.370 nan 0.000 0.493 376 P HA -0.074 nan 4.420 nan 0.000 0.226 376 P C 0.775 178.051 177.300 -0.039 0.000 1.153 376 P CA 0.611 63.680 63.100 -0.052 0.000 0.777 376 P CB 0.229 31.990 31.700 0.101 0.000 0.794 377 A N -0.783 122.012 122.820 -0.041 0.000 2.072 377 A HA 0.004 4.325 4.320 0.001 0.000 0.216 377 A C 1.307 178.867 177.584 -0.040 0.000 1.156 377 A CA 0.757 52.779 52.037 -0.025 0.000 0.701 377 A CB -0.623 18.369 19.000 -0.014 0.000 0.816 377 A HN 0.147 nan 8.150 nan 0.000 0.458 378 N N -0.025 118.632 118.700 -0.072 0.000 2.726 378 N HA 0.278 5.019 4.740 0.001 0.000 0.253 378 N C -3.335 172.105 175.510 -0.117 0.000 1.530 378 N CA -1.612 51.398 53.050 -0.067 0.000 0.772 378 N CB 1.376 39.838 38.487 -0.041 0.000 1.220 378 N HN 0.065 nan 8.380 nan 0.000 0.508 379 P HA 0.372 nan 4.420 nan 0.000 0.290 379 P C 0.545 177.777 177.300 -0.112 0.000 1.275 379 P CA -0.226 62.711 63.100 -0.272 0.000 0.841 379 P CB 1.266 32.633 31.700 -0.555 0.000 1.042 380 G N 0.853 109.605 108.800 -0.080 0.000 2.653 380 G HA2 0.424 4.384 3.960 0.001 0.000 0.265 380 G HA3 0.424 4.384 3.960 0.001 0.000 0.265 380 G C -0.726 174.286 174.900 0.188 0.000 1.237 380 G CA -0.454 44.704 45.100 0.098 0.000 0.946 380 G HN 0.373 nan 8.290 nan 0.000 0.522 381 V N 0.204 120.249 119.914 0.219 0.000 2.513 381 V HA 0.385 4.505 4.120 0.001 0.000 0.299 381 V C -0.198 175.969 176.094 0.121 0.000 1.035 381 V CA -0.720 61.673 62.300 0.155 0.000 0.889 381 V CB 1.463 33.323 31.823 0.062 0.000 0.988 381 V HN 0.622 nan 8.190 nan 0.000 0.440 382 L N 5.869 127.149 121.223 0.095 0.000 2.264 382 L HA 0.596 4.936 4.340 0.001 0.000 0.289 382 L C -0.400 176.424 176.870 -0.077 0.000 1.044 382 L CA 0.285 55.087 54.840 -0.062 0.000 0.807 382 L CB 1.407 43.481 42.059 0.025 0.000 1.192 382 L HN 0.469 nan 8.230 nan 0.000 0.425 383 V N 6.903 126.736 119.914 -0.136 0.000 2.370 383 V HA 0.446 4.567 4.120 0.001 0.000 0.283 383 V C -0.111 175.919 176.094 -0.106 0.000 1.023 383 V CA -0.512 61.724 62.300 -0.106 0.000 0.857 383 V CB 1.297 33.051 31.823 -0.116 0.000 0.985 383 V HN 0.637 nan 8.190 nan 0.000 0.443 384 L N 3.635 124.810 121.223 -0.080 0.000 2.408 384 L HA 0.545 4.886 4.340 0.001 0.000 0.268 384 L C 0.194 177.020 176.870 -0.072 0.000 0.986 384 L CA -0.282 54.517 54.840 -0.069 0.000 0.820 384 L CB 2.464 44.492 42.059 -0.053 0.000 1.303 384 L HN 0.703 nan 8.230 nan 0.000 0.411 385 S N 2.186 117.850 115.700 -0.060 0.000 2.531 385 S HA 0.054 4.525 4.470 0.001 0.000 0.279 385 S C 1.077 175.597 174.600 -0.134 0.000 1.305 385 S CA -0.270 57.886 58.200 -0.074 0.000 1.058 385 S CB 1.046 64.249 63.200 0.005 0.000 0.899 385 S HN 0.765 nan 8.310 nan 0.000 0.493 386 Q N 3.580 123.202 119.800 -0.296 0.000 2.368 386 Q HA -0.132 4.208 4.340 0.001 0.000 0.210 386 Q C 0.419 176.165 176.000 -0.424 0.000 0.982 386 Q CA 1.707 57.265 55.803 -0.409 0.000 0.884 386 Q CB -0.426 27.976 28.738 -0.559 0.000 0.933 386 Q HN 0.824 nan 8.270 nan 0.000 0.460 387 F N 1.041 120.986 119.950 -0.008 0.000 2.765 387 F HA 0.399 4.926 4.527 0.001 0.000 0.302 387 F C 1.071 176.871 175.800 0.000 0.000 1.111 387 F CA -0.317 57.674 58.000 -0.015 0.000 1.359 387 F CB 0.030 39.017 39.000 -0.023 0.000 1.097 387 F HN 0.051 nan 8.300 nan 0.000 0.577 388 A N 0.433 123.327 122.820 0.124 0.000 2.388 388 A HA 0.515 4.836 4.320 0.001 0.000 0.257 388 A C 1.789 179.426 177.584 0.088 0.000 1.095 388 A CA 0.232 52.332 52.037 0.105 0.000 0.791 388 A CB 0.187 19.229 19.000 0.070 0.000 1.029 388 A HN 0.406 nan 8.150 nan 0.000 0.489 389 G N 1.310 110.175 108.800 0.109 0.000 2.450 389 G HA2 -0.027 3.934 3.960 0.001 0.000 0.220 389 G HA3 -0.027 3.934 3.960 0.001 0.000 0.220 389 G C 1.439 176.394 174.900 0.092 0.000 1.130 389 G CA 1.345 46.512 45.100 0.112 0.000 0.760 389 G HN 1.236 nan 8.290 nan 0.000 0.557 390 A N 1.035 123.902 122.820 0.078 0.000 2.019 390 A HA 0.316 4.637 4.320 0.001 0.000 0.219 390 A C 2.737 180.342 177.584 0.035 0.000 1.164 390 A CA 1.862 53.934 52.037 0.058 0.000 0.644 390 A CB -0.552 18.476 19.000 0.046 0.000 0.805 390 A HN 0.773 nan 8.150 nan 0.000 0.449 391 A N 0.562 123.394 122.820 0.021 0.000 2.076 391 A HA -0.209 4.112 4.320 0.001 0.000 0.220 391 A C 1.846 179.432 177.584 0.002 0.000 1.160 391 A CA 1.600 53.634 52.037 -0.006 0.000 0.653 391 A CB -0.601 18.374 19.000 -0.041 0.000 0.801 391 A HN 0.603 nan 8.150 nan 0.000 0.455 392 N N -0.152 118.562 118.700 0.024 0.000 2.166 392 N HA -0.140 4.600 4.740 0.001 0.000 0.186 392 N C 1.571 177.099 175.510 0.030 0.000 1.019 392 N CA 1.712 54.780 53.050 0.031 0.000 0.856 392 N CB -0.186 38.334 38.487 0.054 0.000 0.993 392 N HN 0.724 nan 8.380 nan 0.000 0.426 393 E N 0.238 120.460 120.200 0.035 0.000 2.132 393 E HA 0.156 4.507 4.350 0.001 0.000 0.193 393 E C 0.365 176.973 176.600 0.013 0.000 0.951 393 E CA 0.045 56.463 56.400 0.030 0.000 0.843 393 E CB 0.210 29.935 29.700 0.043 0.000 0.807 393 E HN 0.161 nan 8.360 nan 0.000 0.467 394 L N 2.345 123.574 121.223 0.010 0.000 2.437 394 L HA 0.101 4.441 4.340 0.001 0.000 0.243 394 L C 1.297 178.164 176.870 -0.005 0.000 1.346 394 L CA -0.022 54.818 54.840 0.001 0.000 1.233 394 L CB -0.066 41.995 42.059 0.003 0.000 1.436 394 L HN 0.102 nan 8.230 nan 0.000 0.416 395 T N -1.313 113.237 114.554 -0.006 0.000 3.085 395 T HA -0.049 4.301 4.350 0.001 0.000 0.263 395 T C 1.684 176.379 174.700 -0.009 0.000 1.127 395 T CA 0.990 63.085 62.100 -0.009 0.000 1.103 395 T CB 0.179 69.043 68.868 -0.006 0.000 0.921 395 T HN 0.470 nan 8.240 nan 0.000 0.510 396 S N 0.951 116.648 115.700 -0.006 0.000 2.575 396 S HA 0.512 4.983 4.470 0.001 0.000 0.215 396 S C 0.906 175.510 174.600 0.007 0.000 0.966 396 S CA -0.130 58.071 58.200 0.000 0.000 0.911 396 S CB 0.060 63.261 63.200 0.001 0.000 0.780 396 S HN 0.658 nan 8.310 nan 0.000 0.514 397 A N 1.296 124.117 122.820 0.002 0.000 2.346 397 A HA 0.471 4.791 4.320 0.001 0.000 0.252 397 A C -0.162 177.414 177.584 -0.013 0.000 1.089 397 A CA -0.311 51.726 52.037 -0.001 0.000 0.797 397 A CB 0.013 19.006 19.000 -0.011 0.000 1.047 397 A HN 0.248 nan 8.150 nan 0.000 0.494 398 L N 2.004 123.214 121.223 -0.021 0.000 2.385 398 L HA 0.172 4.512 4.340 0.001 0.000 0.281 398 L C -0.036 176.806 176.870 -0.046 0.000 1.106 398 L CA 0.211 55.033 54.840 -0.031 0.000 0.856 398 L CB -0.046 41.992 42.059 -0.035 0.000 1.186 398 L HN 0.377 nan 8.230 nan 0.000 0.453 399 I N 5.350 125.891 120.570 -0.048 0.000 2.342 399 I HA 0.384 4.554 4.170 0.001 0.000 0.291 399 I C 0.232 176.303 176.117 -0.076 0.000 1.010 399 I CA -0.315 60.944 61.300 -0.068 0.000 1.308 399 I CB 1.359 39.316 38.000 -0.073 0.000 1.400 399 I HN 0.304 nan 8.210 nan 0.000 0.488 400 V N 3.196 123.054 119.914 -0.093 0.000 3.078 400 V HA 0.548 4.669 4.120 0.001 0.000 0.311 400 V C -0.445 175.583 176.094 -0.110 0.000 1.138 400 V CA -1.060 61.192 62.300 -0.082 0.000 1.007 400 V CB 2.129 33.916 31.823 -0.060 0.000 1.045 400 V HN 0.800 nan 8.190 nan 0.000 0.432 401 N N 2.718 121.381 118.700 -0.061 0.000 2.485 401 N HA 0.451 5.192 4.740 0.001 0.000 0.243 401 N C -1.962 173.575 175.510 0.046 0.000 0.987 401 N CA -1.856 51.194 53.050 -0.000 0.000 0.940 401 N CB 2.008 40.537 38.487 0.069 0.000 1.122 401 N HN 0.526 nan 8.380 nan 0.000 0.509 402 P HA -0.116 nan 4.420 nan 0.000 0.226 402 P C -0.117 177.062 177.300 -0.201 0.000 1.146 402 P CA 1.079 64.102 63.100 -0.127 0.000 0.773 402 P CB -0.035 31.537 31.700 -0.214 0.000 0.772 403 Y N -1.247 119.125 120.300 0.119 0.000 2.546 403 Y HA 0.053 4.604 4.550 0.001 0.000 0.287 403 Y C 0.988 176.926 175.900 0.062 0.000 1.158 403 Y CA 0.181 58.329 58.100 0.081 0.000 1.307 403 Y CB -0.072 38.437 38.460 0.083 0.000 1.036 403 Y HN -0.103 nan 8.280 nan 0.000 0.532 404 D N 0.747 121.240 120.400 0.155 0.000 2.485 404 D HA 0.071 4.712 4.640 0.001 0.000 0.256 404 D C 1.279 177.619 176.300 0.067 0.000 1.141 404 D CA -0.321 53.742 54.000 0.105 0.000 0.942 404 D CB 0.373 41.227 40.800 0.090 0.000 1.003 404 D HN 0.269 nan 8.370 nan 0.000 0.507 405 R N 2.207 122.746 120.500 0.066 0.000 2.105 405 R HA -0.157 4.183 4.340 0.001 0.000 0.239 405 R C 0.255 176.589 176.300 0.057 0.000 1.135 405 R CA 1.088 57.220 56.100 0.052 0.000 0.967 405 R CB -0.116 30.221 30.300 0.062 0.000 0.861 405 R HN 0.175 nan 8.270 nan 0.000 0.442 406 D N 0.866 121.307 120.400 0.069 0.000 2.178 406 D HA -0.150 4.490 4.640 0.001 0.000 0.202 406 D C 1.790 178.139 176.300 0.081 0.000 0.974 406 D CA 1.139 55.192 54.000 0.087 0.000 0.841 406 D CB -0.132 40.718 40.800 0.084 0.000 0.953 406 D HN 0.543 nan 8.370 nan 0.000 0.478 407 E N 0.651 120.885 120.200 0.056 0.000 2.106 407 E HA -0.118 4.233 4.350 0.001 0.000 0.192 407 E C 2.016 178.623 176.600 0.011 0.000 0.984 407 E CA 0.632 57.054 56.400 0.037 0.000 0.806 407 E CB 0.285 30.003 29.700 0.030 0.000 0.750 407 E HN -0.003 nan 8.360 nan 0.000 0.458 408 V N 1.416 121.332 119.914 0.004 0.000 2.358 408 V HA -0.228 3.892 4.120 0.001 0.000 0.246 408 V C 2.516 178.583 176.094 -0.044 0.000 1.047 408 V CA 1.638 63.921 62.300 -0.027 0.000 1.035 408 V CB -0.820 30.984 31.823 -0.032 0.000 0.658 408 V HN 0.408 nan 8.190 nan 0.000 0.452 409 A N 0.451 123.263 122.820 -0.013 0.000 1.851 409 A HA -0.184 4.137 4.320 0.001 0.000 0.216 409 A C 2.496 179.989 177.584 -0.150 0.000 1.195 409 A CA 2.423 54.436 52.037 -0.041 0.000 0.622 409 A CB -1.080 17.977 19.000 0.094 0.000 0.831 409 A HN 0.582 nan 8.150 nan 0.000 0.444 410 A N -0.192 122.612 122.820 -0.027 0.000 1.903 410 A HA 0.012 4.333 4.320 0.001 0.000 0.219 410 A C 2.543 180.068 177.584 -0.098 0.000 1.191 410 A CA 2.767 54.789 52.037 -0.026 0.000 0.638 410 A CB -1.199 17.853 19.000 0.086 0.000 0.823 410 A HN 1.246 nan 8.150 nan 0.000 0.451 411 A N -0.643 122.134 122.820 -0.072 0.000 1.933 411 A HA -0.028 4.292 4.320 0.001 0.000 0.218 411 A C 2.198 179.716 177.584 -0.109 0.000 1.175 411 A CA 1.512 53.504 52.037 -0.075 0.000 0.628 411 A CB -0.568 18.396 19.000 -0.061 0.000 0.814 411 A HN 0.492 nan 8.150 nan 0.000 0.444 412 L N -0.747 120.387 121.223 -0.147 0.000 2.046 412 L HA -0.204 4.137 4.340 0.001 0.000 0.208 412 L C 2.429 179.166 176.870 -0.221 0.000 1.077 412 L CA 1.841 56.578 54.840 -0.172 0.000 0.747 412 L CB -0.542 41.414 42.059 -0.171 0.000 0.896 412 L HN 0.491 nan 8.230 nan 0.000 0.432 413 D N -0.059 120.146 120.400 -0.324 0.000 2.117 413 D HA -0.234 4.407 4.640 0.001 0.000 0.197 413 D C 2.324 178.555 176.300 -0.115 0.000 0.987 413 D CA 1.183 55.002 54.000 -0.302 0.000 0.829 413 D CB 0.060 40.491 40.800 -0.614 0.000 0.961 413 D HN 0.015 nan 8.370 nan 0.000 0.460 414 R N -0.294 120.147 120.500 -0.098 0.000 2.083 414 R HA -0.147 4.194 4.340 0.001 0.000 0.237 414 R C 2.186 178.469 176.300 -0.028 0.000 1.137 414 R CA 1.481 57.560 56.100 -0.035 0.000 0.951 414 R CB -0.362 29.922 30.300 -0.026 0.000 0.851 414 R HN 0.247 nan 8.270 nan 0.000 0.434 415 A N 0.644 123.434 122.820 -0.050 0.000 1.933 415 A HA -0.112 4.209 4.320 0.001 0.000 0.218 415 A C 2.137 179.706 177.584 -0.024 0.000 1.175 415 A CA 1.075 53.093 52.037 -0.032 0.000 0.628 415 A CB -0.397 18.575 19.000 -0.047 0.000 0.814 415 A HN 0.328 nan 8.150 nan 0.000 0.444 416 L N -0.305 120.886 121.223 -0.055 0.000 2.217 416 L HA -0.082 4.258 4.340 0.001 0.000 0.211 416 L C 2.317 179.202 176.870 0.024 0.000 1.107 416 L CA 1.594 56.408 54.840 -0.042 0.000 0.783 416 L CB -0.243 41.718 42.059 -0.164 0.000 0.919 416 L HN 0.621 nan 8.230 nan 0.000 0.442 417 T N -4.272 110.305 114.554 0.038 0.000 3.134 417 T HA 0.183 4.534 4.350 0.001 0.000 0.260 417 T C 0.526 175.248 174.700 0.037 0.000 1.027 417 T CA -0.328 61.806 62.100 0.058 0.000 0.913 417 T CB 0.021 68.937 68.868 0.079 0.000 1.046 417 T HN 0.014 nan 8.240 nan 0.000 0.553 418 M N 3.891 123.507 119.600 0.027 0.000 2.217 418 M HA 0.300 4.781 4.480 0.001 0.000 0.352 418 M C 0.508 176.822 176.300 0.024 0.000 1.376 418 M CA -0.355 54.959 55.300 0.024 0.000 1.107 418 M CB 0.605 33.218 32.600 0.021 0.000 1.723 418 M HN 0.455 nan 8.290 nan 0.000 0.461 419 S N 4.351 120.064 115.700 0.022 0.000 2.568 419 S HA -0.010 4.460 4.470 0.001 0.000 0.282 419 S C 0.862 175.473 174.600 0.019 0.000 1.338 419 S CA -0.709 57.503 58.200 0.020 0.000 1.045 419 S CB 0.794 64.004 63.200 0.018 0.000 0.873 419 S HN 0.872 nan 8.310 nan 0.000 0.516 420 L N 2.895 124.127 121.223 0.016 0.000 2.127 420 L HA -0.006 4.335 4.340 0.001 0.000 0.211 420 L C 2.493 179.373 176.870 0.017 0.000 1.089 420 L CA 2.321 57.169 54.840 0.013 0.000 0.757 420 L CB -1.451 40.613 42.059 0.008 0.000 0.899 420 L HN 0.958 nan 8.230 nan 0.000 0.434 421 A N -0.793 122.038 122.820 0.017 0.000 1.858 421 A HA -0.268 4.053 4.320 0.001 0.000 0.216 421 A C 2.355 179.953 177.584 0.024 0.000 1.190 421 A CA 1.812 53.861 52.037 0.019 0.000 0.617 421 A CB -0.753 18.257 19.000 0.016 0.000 0.827 421 A HN 0.591 nan 8.150 nan 0.000 0.443 422 E N -0.544 119.670 120.200 0.023 0.000 2.106 422 E HA -0.180 4.170 4.350 0.001 0.000 0.192 422 E C 2.302 178.924 176.600 0.037 0.000 0.984 422 E CA 0.767 57.183 56.400 0.027 0.000 0.806 422 E CB -0.074 29.640 29.700 0.023 0.000 0.750 422 E HN 0.550 nan 8.360 nan 0.000 0.458 423 R N 0.146 120.667 120.500 0.036 0.000 2.083 423 R HA -0.141 4.200 4.340 0.001 0.000 0.237 423 R C 2.480 178.821 176.300 0.068 0.000 1.137 423 R CA 1.527 57.655 56.100 0.046 0.000 0.951 423 R CB -0.332 29.985 30.300 0.028 0.000 0.851 423 R HN 0.281 nan 8.270 nan 0.000 0.434 424 I N 0.712 121.314 120.570 0.054 0.000 2.179 424 I HA -0.298 3.872 4.170 0.001 0.000 0.242 424 I C 2.489 178.662 176.117 0.093 0.000 1.088 424 I CA 1.637 62.983 61.300 0.077 0.000 1.357 424 I CB -0.299 37.730 38.000 0.048 0.000 1.051 424 I HN 0.230 nan 8.210 nan 0.000 0.409 425 S N 0.832 116.568 115.700 0.059 0.000 2.368 425 S HA -0.153 4.317 4.470 0.001 0.000 0.224 425 S C 2.053 176.677 174.600 0.041 0.000 1.029 425 S CA 0.748 58.974 58.200 0.043 0.000 0.988 425 S CB -0.536 62.681 63.200 0.028 0.000 0.838 425 S HN 0.373 nan 8.310 nan 0.000 0.462 426 R N 0.464 120.996 120.500 0.053 0.000 2.073 426 R HA -0.090 4.251 4.340 0.001 0.000 0.234 426 R C 2.598 178.933 176.300 0.059 0.000 1.134 426 R CA 1.575 57.705 56.100 0.049 0.000 0.952 426 R CB -0.697 29.636 30.300 0.056 0.000 0.850 426 R HN 0.626 nan 8.270 nan 0.000 0.433 427 H N 0.544 119.621 119.070 0.012 0.000 2.387 427 H HA -0.047 4.509 4.556 0.001 0.000 0.299 427 H C 1.757 177.085 175.328 0.001 0.000 1.090 427 H CA 1.675 57.728 56.048 0.008 0.000 1.332 427 H CB 0.179 29.941 29.762 0.001 0.000 1.386 427 H HN 0.253 nan 8.280 nan 0.000 0.516 428 A N 1.234 124.006 122.820 -0.079 0.000 1.873 428 A HA -0.155 4.166 4.320 0.001 0.000 0.215 428 A C 2.331 179.841 177.584 -0.123 0.000 1.186 428 A CA 1.450 53.417 52.037 -0.116 0.000 0.616 428 A CB -0.438 18.561 19.000 -0.001 0.000 0.823 428 A HN 0.631 nan 8.150 nan 0.000 0.442 429 E N -0.398 119.760 120.200 -0.071 0.000 2.070 429 E HA -0.228 4.122 4.350 0.001 0.000 0.197 429 E C 2.076 178.630 176.600 -0.077 0.000 1.004 429 E CA 1.623 57.990 56.400 -0.055 0.000 0.805 429 E CB -0.349 29.335 29.700 -0.027 0.000 0.744 429 E HN 0.633 nan 8.360 nan 0.000 0.451 430 M N 0.172 119.711 119.600 -0.103 0.000 2.175 430 M HA -0.121 4.359 4.480 0.001 0.000 0.264 430 M C 2.387 178.600 176.300 -0.145 0.000 1.063 430 M CA 0.854 56.093 55.300 -0.102 0.000 1.119 430 M CB -0.116 32.438 32.600 -0.077 0.000 1.377 430 M HN 0.132 nan 8.290 nan 0.000 0.415 431 L N 0.533 121.597 121.223 -0.264 0.000 2.109 431 L HA -0.164 4.176 4.340 0.001 0.000 0.207 431 L C 1.923 178.721 176.870 -0.121 0.000 1.086 431 L CA 1.869 56.568 54.840 -0.235 0.000 0.760 431 L CB -0.806 41.024 42.059 -0.382 0.000 0.910 431 L HN 0.210 nan 8.230 nan 0.000 0.437 432 D N -0.523 119.814 120.400 -0.106 0.000 2.127 432 D HA -0.213 4.428 4.640 0.001 0.000 0.190 432 D C 2.162 178.432 176.300 -0.050 0.000 1.000 432 D CA 2.160 56.123 54.000 -0.062 0.000 0.839 432 D CB -0.094 40.675 40.800 -0.052 0.000 0.955 432 D HN 0.229 nan 8.370 nan 0.000 0.446 433 V N 1.178 121.063 119.914 -0.047 0.000 2.282 433 V HA -0.252 3.869 4.120 0.001 0.000 0.249 433 V C 2.689 178.766 176.094 -0.027 0.000 1.057 433 V CA 1.453 63.734 62.300 -0.032 0.000 1.032 433 V CB -0.405 31.406 31.823 -0.020 0.000 0.645 433 V HN 0.266 nan 8.190 nan 0.000 0.447 434 I N -0.769 119.783 120.570 -0.029 0.000 2.315 434 I HA -0.185 3.985 4.170 0.001 0.000 0.248 434 I C 2.372 178.484 176.117 -0.008 0.000 1.117 434 I CA 0.966 62.258 61.300 -0.013 0.000 1.404 434 I CB -0.316 37.672 38.000 -0.021 0.000 1.071 434 I HN 0.146 nan 8.210 nan 0.000 0.419 435 V N 0.960 120.862 119.914 -0.021 0.000 2.270 435 V HA -0.291 3.830 4.120 0.001 0.000 0.245 435 V C 2.476 178.557 176.094 -0.022 0.000 1.043 435 V CA 1.870 64.163 62.300 -0.013 0.000 1.014 435 V CB -0.522 31.291 31.823 -0.016 0.000 0.645 435 V HN 0.363 nan 8.190 nan 0.000 0.447 436 K N 0.137 120.507 120.400 -0.049 0.000 2.020 436 K HA -0.195 4.126 4.320 0.001 0.000 0.212 436 K C 1.183 177.665 176.600 -0.198 0.000 1.050 436 K CA 1.696 57.920 56.287 -0.104 0.000 0.929 436 K CB -0.264 32.174 32.500 -0.103 0.000 0.714 436 K HN 0.361 nan 8.250 nan 0.000 0.443 437 N N 2.015 120.642 118.700 -0.123 0.000 3.234 437 N HA 0.022 4.762 4.740 0.001 0.000 0.272 437 N C -1.560 174.006 175.510 0.093 0.000 1.254 437 N CA -0.267 52.741 53.050 -0.069 0.000 1.087 437 N CB -0.032 38.469 38.487 0.023 0.000 1.356 437 N HN 0.025 nan 8.380 nan 0.000 0.511 438 D N 0.451 120.928 120.400 0.129 0.000 2.369 438 D HA -0.006 4.635 4.640 0.001 0.000 0.241 438 D C 1.588 178.024 176.300 0.227 0.000 1.271 438 D CA -0.476 53.615 54.000 0.152 0.000 0.942 438 D CB 0.860 41.746 40.800 0.145 0.000 1.129 438 D HN 0.219 nan 8.370 nan 0.000 0.476 439 I N 0.414 121.085 120.570 0.167 0.000 2.226 439 I HA -0.267 3.904 4.170 0.001 0.000 0.245 439 I C 1.447 177.752 176.117 0.313 0.000 1.100 439 I CA 1.704 63.123 61.300 0.198 0.000 1.374 439 I CB -0.348 37.705 38.000 0.088 0.000 1.057 439 I HN 0.280 nan 8.210 nan 0.000 0.413 440 N N -0.352 118.485 118.700 0.228 0.000 2.142 440 N HA -0.257 4.484 4.740 0.001 0.000 0.186 440 N C 1.980 177.616 175.510 0.211 0.000 1.023 440 N CA 1.643 54.812 53.050 0.199 0.000 0.852 440 N CB -0.359 38.211 38.487 0.139 0.000 0.998 440 N HN 0.588 nan 8.380 nan 0.000 0.424 441 H N -1.577 117.588 119.070 0.157 0.000 2.387 441 H HA -0.158 4.399 4.556 0.001 0.000 0.299 441 H C 1.891 177.340 175.328 0.201 0.000 1.099 441 H CA 2.100 58.238 56.048 0.150 0.000 1.315 441 H CB -0.257 29.590 29.762 0.142 0.000 1.380 441 H HN 0.462 nan 8.280 nan 0.000 0.513 442 W N 1.427 122.820 121.300 0.154 0.000 2.353 442 W HA -0.204 4.457 4.660 0.001 0.000 0.319 442 W C 2.648 179.174 176.519 0.012 0.000 1.207 442 W CA 1.922 59.335 57.345 0.113 0.000 1.291 442 W CB -0.473 29.054 29.460 0.112 0.000 1.159 442 W HN 0.306 nan 8.180 nan 0.000 0.478 443 Q N 1.341 121.174 119.800 0.055 0.000 2.167 443 Q HA -0.242 4.098 4.340 0.001 0.000 0.202 443 Q C 1.890 177.741 176.000 -0.249 0.000 0.970 443 Q CA 2.348 58.020 55.803 -0.218 0.000 0.855 443 Q CB -0.654 28.208 28.738 0.207 0.000 0.911 443 Q HN 0.735 nan 8.270 nan 0.000 0.438 444 E N -0.373 119.740 120.200 -0.146 0.000 2.072 444 E HA -0.142 4.209 4.350 0.001 0.000 0.191 444 E C 2.182 178.632 176.600 -0.250 0.000 0.985 444 E CA 1.425 57.726 56.400 -0.165 0.000 0.801 444 E CB -0.736 28.901 29.700 -0.104 0.000 0.750 444 E HN 0.297 nan 8.360 nan 0.000 0.452 445 C N 0.197 119.318 119.300 -0.298 0.000 2.429 445 C HA -0.077 4.384 4.460 0.001 0.000 0.277 445 C C 2.381 177.151 174.990 -0.368 0.000 1.262 445 C CA 0.760 59.630 59.018 -0.245 0.000 1.733 445 C CB -1.222 26.449 27.740 -0.115 0.000 2.010 445 C HN 0.534 nan 8.230 nan 0.000 0.483 446 F N 1.397 120.810 119.950 -0.896 0.000 2.051 446 F HA -0.101 4.426 4.527 0.001 0.000 0.296 446 F C 2.217 177.490 175.800 -0.878 0.000 1.122 446 F CA 1.704 58.926 58.000 -1.297 0.000 1.201 446 F CB -0.352 37.584 39.000 -1.773 0.000 0.978 446 F HN 0.043 nan 8.300 nan 0.000 0.472 447 I N -0.058 120.162 120.570 -0.583 0.000 2.208 447 I HA -0.317 3.854 4.170 0.001 0.000 0.245 447 I C 2.746 178.655 176.117 -0.347 0.000 1.097 447 I CA 1.816 62.853 61.300 -0.438 0.000 1.363 447 I CB -1.835 36.003 38.000 -0.270 0.000 1.051 447 I HN 0.323 nan 8.210 nan 0.000 0.413 448 S N 1.010 116.538 115.700 -0.287 0.000 2.351 448 S HA -0.246 4.225 4.470 0.001 0.000 0.220 448 S C 1.780 176.248 174.600 -0.220 0.000 1.035 448 S CA 2.044 60.121 58.200 -0.206 0.000 1.031 448 S CB -0.271 62.836 63.200 -0.156 0.000 0.928 448 S HN 0.360 nan 8.310 nan 0.000 0.433 449 D N 0.797 121.037 120.400 -0.268 0.000 2.149 449 D HA -0.064 4.576 4.640 0.001 0.000 0.198 449 D C 1.846 177.964 176.300 -0.302 0.000 0.990 449 D CA 0.933 54.791 54.000 -0.236 0.000 0.839 449 D CB -0.511 40.185 40.800 -0.173 0.000 0.948 449 D HN 0.394 nan 8.370 nan 0.000 0.460 450 L N 0.743 121.681 121.223 -0.474 0.000 2.093 450 L HA -0.085 4.256 4.340 0.001 0.000 0.208 450 L C 1.852 178.588 176.870 -0.223 0.000 1.085 450 L CA 1.709 56.300 54.840 -0.416 0.000 0.755 450 L CB -0.201 41.521 42.059 -0.562 0.000 0.904 450 L HN -0.177 nan 8.230 nan 0.000 0.435 451 K N -0.864 119.418 120.400 -0.197 0.000 2.097 451 K HA -0.118 4.203 4.320 0.001 0.000 0.205 451 K C 2.033 178.579 176.600 -0.091 0.000 1.050 451 K CA 1.431 57.645 56.287 -0.122 0.000 0.938 451 K CB -0.079 32.355 32.500 -0.110 0.000 0.718 451 K HN 0.449 nan 8.250 nan 0.000 0.442 452 Q N 0.254 119.996 119.800 -0.097 0.000 2.437 452 Q HA -0.060 4.281 4.340 0.001 0.000 0.210 452 Q C -0.091 175.876 176.000 -0.056 0.000 0.972 452 Q CA 0.298 56.060 55.803 -0.070 0.000 0.903 452 Q CB 0.104 28.801 28.738 -0.069 0.000 0.967 452 Q HN 0.170 nan 8.270 nan 0.000 0.486 453 I N 2.098 122.631 120.570 -0.062 0.000 2.533 453 I HA -0.010 4.160 4.170 0.001 0.000 0.284 453 I C 0.342 176.445 176.117 -0.022 0.000 1.109 453 I CA -0.409 60.870 61.300 -0.036 0.000 1.412 453 I CB 0.403 38.384 38.000 -0.031 0.000 1.396 453 I HN -0.122 nan 8.210 nan 0.000 0.543 454 V N 6.786 126.693 119.914 -0.012 0.000 2.455 454 V HA 0.402 4.522 4.120 0.001 0.000 0.273 454 V C -2.143 173.954 176.094 0.005 0.000 1.045 454 V CA -1.495 60.801 62.300 -0.006 0.000 0.976 454 V CB 0.104 31.923 31.823 -0.007 0.000 0.993 454 V HN 0.581 nan 8.190 nan 0.000 0.475 455 P HA 0.492 nan 4.420 nan 0.000 0.274 455 P C -0.461 176.846 177.300 0.011 0.000 1.237 455 P CA -0.478 62.628 63.100 0.011 0.000 0.793 455 P CB 0.735 32.438 31.700 0.005 0.000 0.977 456 R N 0.000 120.509 120.500 0.015 0.000 2.786 456 R HA 0.000 4.341 4.340 0.001 0.000 0.208 456 R CA 0.000 56.107 56.100 0.011 0.000 0.921 456 R CB 0.000 30.312 30.300 0.020 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535