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_B DATA FIRST_RESID 1 DATA SEQUENCE SRLVVVSNRI APPDXXXXSA GGLAVGILGA LKAAGGLWFG WSGETGNEDQ 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 EIAKQAAGPL PPKLAQLKAE 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 KQIVPRSA 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 0.000 174.611 174.600 0.019 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.209 63.200 0.014 0.000 0.593 2 R N 1.683 122.199 120.500 0.027 0.000 2.389 2 R HA 0.444 4.784 4.340 0.000 0.000 0.295 2 R C -0.891 175.439 176.300 0.049 0.000 1.075 2 R CA -0.267 55.854 56.100 0.036 0.000 1.005 2 R CB 0.609 30.933 30.300 0.039 0.000 0.987 2 R HN 0.442 nan 8.270 nan 0.000 0.452 3 L N 5.750 127.006 121.223 0.055 0.000 2.281 3 L HA 0.250 4.590 4.340 0.000 0.000 0.285 3 L C -1.128 175.800 176.870 0.096 0.000 1.074 3 L CA -0.094 54.797 54.840 0.085 0.000 0.817 3 L CB 1.504 43.617 42.059 0.090 0.000 1.168 3 L HN 0.332 nan 8.230 nan 0.000 0.434 4 V N 6.478 126.471 119.914 0.131 0.000 2.328 4 V HA 0.378 4.498 4.120 0.000 0.000 0.278 4 V C -0.075 176.135 176.094 0.193 0.000 1.021 4 V CA -0.638 61.750 62.300 0.147 0.000 0.838 4 V CB 1.406 33.313 31.823 0.140 0.000 0.999 4 V HN 0.528 nan 8.190 nan 0.000 0.447 5 V N 6.053 126.048 119.914 0.135 0.000 2.427 5 V HA 0.497 4.618 4.120 0.000 0.000 0.286 5 V C -0.103 176.125 176.094 0.223 0.000 1.034 5 V CA -0.419 61.922 62.300 0.069 0.000 0.893 5 V CB 1.944 33.549 31.823 -0.362 0.000 0.982 5 V HN 0.607 nan 8.190 nan 0.000 0.452 6 V N 4.570 124.645 119.914 0.268 0.000 2.531 6 V HA 0.761 4.881 4.120 0.000 0.000 0.301 6 V C -0.188 176.081 176.094 0.291 0.000 1.034 6 V CA -0.274 62.228 62.300 0.338 0.000 0.865 6 V CB 1.910 33.852 31.823 0.198 0.000 0.995 6 V HN 1.031 nan 8.190 nan 0.000 0.424 7 S N 2.731 118.635 115.700 0.341 0.000 2.556 7 S HA 0.422 4.892 4.470 0.000 0.000 0.271 7 S C 0.378 175.094 174.600 0.192 0.000 1.135 7 S CA -0.691 57.666 58.200 0.262 0.000 0.858 7 S CB 1.845 65.201 63.200 0.260 0.000 1.114 7 S HN 0.592 nan 8.310 nan 0.000 0.468 8 N N 0.854 119.620 118.700 0.110 0.000 2.022 8 N HA -0.123 4.617 4.740 0.000 0.000 0.195 8 N C 0.544 176.089 175.510 0.058 0.000 1.063 8 N CA 1.018 54.108 53.050 0.067 0.000 0.851 8 N CB -0.123 38.190 38.487 -0.289 0.000 1.050 8 N HN 0.601 nan 8.380 nan 0.000 0.425 9 R N 1.358 121.852 120.500 -0.011 0.000 2.401 9 R HA 0.205 4.545 4.340 0.000 0.000 0.299 9 R C -0.253 176.007 176.300 -0.067 0.000 1.064 9 R CA 0.004 56.080 56.100 -0.041 0.000 1.000 9 R CB -0.070 30.221 30.300 -0.015 0.000 0.973 9 R HN 0.348 nan 8.270 nan 0.000 0.438 10 I N 0.627 121.029 120.570 -0.281 0.000 2.822 10 I HA 0.721 4.891 4.170 0.000 0.000 0.312 10 I C -0.376 175.495 176.117 -0.410 0.000 1.011 10 I CA -1.354 59.606 61.300 -0.566 0.000 1.105 10 I CB 2.224 39.637 38.000 -0.978 0.000 1.291 10 I HN 0.633 nan 8.210 nan 0.000 0.474 11 A N 4.117 126.689 122.820 -0.414 0.000 2.362 11 A HA 0.640 4.960 4.320 0.000 0.000 0.276 11 A C -2.472 174.980 177.584 -0.220 0.000 1.153 11 A CA -1.497 50.470 52.037 -0.118 0.000 0.813 11 A CB -0.586 18.547 19.000 0.222 0.000 1.081 11 A HN 0.601 nan 8.150 nan 0.000 0.507 12 P HA 0.213 nan 4.420 nan 0.000 0.271 12 P C -1.942 175.010 177.300 -0.579 0.000 1.220 12 P CA -1.154 61.664 63.100 -0.469 0.000 0.768 12 P CB 0.350 31.823 31.700 -0.378 0.000 0.848 13 P HA -0.198 nan 4.420 nan 0.000 0.217 13 P C 0.288 177.231 177.300 -0.595 0.000 1.158 13 P CA 1.689 64.006 63.100 -1.305 0.000 0.887 13 P CB 0.033 30.941 31.700 -1.321 0.000 0.792 20 A N 1.967 124.866 122.820 0.132 0.000 2.540 20 A HA 0.657 4.978 4.320 0.000 0.000 0.239 20 A C 0.869 178.506 177.584 0.089 0.000 1.061 20 A CA 0.821 52.957 52.037 0.165 0.000 0.758 20 A CB -0.367 18.747 19.000 0.190 0.000 0.991 20 A HN 1.927 nan 8.150 nan 0.000 0.502 21 G N 0.342 109.200 108.800 0.097 0.000 2.249 21 G HA2 0.467 4.427 3.960 0.000 0.000 0.252 21 G HA3 0.467 4.427 3.960 0.000 0.000 0.252 21 G C 0.368 175.320 174.900 0.086 0.000 1.697 21 G CA 0.012 45.167 45.100 0.092 0.000 0.916 21 G HN 1.459 nan 8.290 nan 0.000 0.725 22 G N 0.396 109.259 108.800 0.105 0.000 2.511 22 G HA2 0.188 4.148 3.960 0.000 0.000 0.217 22 G HA3 0.188 4.148 3.960 0.000 0.000 0.217 22 G C 1.770 176.673 174.900 0.006 0.000 1.133 22 G CA 1.260 46.407 45.100 0.078 0.000 0.792 22 G HN 1.125 nan 8.290 nan 0.000 0.539 23 L N 0.728 121.921 121.223 -0.050 0.000 1.994 23 L HA 0.084 4.424 4.340 0.000 0.000 0.208 23 L C 3.077 179.852 176.870 -0.158 0.000 1.071 23 L CA 1.948 56.621 54.840 -0.278 0.000 0.745 23 L CB -0.298 41.532 42.059 -0.382 0.000 0.892 23 L HN 0.207 nan 8.230 nan 0.000 0.431 24 A N -0.699 122.115 122.820 -0.010 0.000 1.902 24 A HA -0.162 4.159 4.320 0.000 0.000 0.217 24 A C 2.226 179.880 177.584 0.117 0.000 1.181 24 A CA 1.982 54.102 52.037 0.139 0.000 0.623 24 A CB -1.079 17.991 19.000 0.116 0.000 0.818 24 A HN 0.365 nan 8.150 nan 0.000 0.443 25 V N -0.235 119.707 119.914 0.045 0.000 2.358 25 V HA -0.161 3.959 4.120 0.000 0.000 0.246 25 V C 2.792 178.862 176.094 -0.039 0.000 1.047 25 V CA 1.937 64.256 62.300 0.031 0.000 1.035 25 V CB -1.307 30.537 31.823 0.034 0.000 0.658 25 V HN 0.619 nan 8.190 nan 0.000 0.452 26 G N -0.061 108.670 108.800 -0.115 0.000 2.421 26 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 26 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 26 G C 1.557 176.311 174.900 -0.244 0.000 1.171 26 G CA 1.062 46.016 45.100 -0.245 0.000 0.775 26 G HN 0.485 nan 8.290 nan 0.000 0.543 27 I N 0.057 120.439 120.570 -0.314 0.000 2.226 27 I HA -0.110 4.061 4.170 0.000 0.000 0.245 27 I C 2.586 178.425 176.117 -0.463 0.000 1.100 27 I CA 0.395 61.369 61.300 -0.543 0.000 1.374 27 I CB -0.265 37.126 38.000 -1.015 0.000 1.057 27 I HN 0.137 nan 8.210 nan 0.000 0.413 28 L N 1.458 122.555 121.223 -0.210 0.000 1.989 28 L HA -0.128 4.212 4.340 0.000 0.000 0.211 28 L C 2.432 179.291 176.870 -0.018 0.000 1.071 28 L CA 2.388 57.229 54.840 0.001 0.000 0.749 28 L CB -1.413 40.773 42.059 0.211 0.000 0.890 28 L HN 0.208 nan 8.230 nan 0.000 0.431 29 G N -1.359 107.436 108.800 -0.009 0.000 2.442 29 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 29 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 29 G C 1.596 176.510 174.900 0.023 0.000 1.141 29 G CA 0.950 46.059 45.100 0.015 0.000 0.763 29 G HN 0.677 nan 8.290 nan 0.000 0.554 30 A N 0.520 123.345 122.820 0.008 0.000 1.902 30 A HA 0.105 4.425 4.320 0.000 0.000 0.217 30 A C 2.371 179.955 177.584 -0.000 0.000 1.181 30 A CA 1.213 53.300 52.037 0.084 0.000 0.623 30 A CB -0.406 18.694 19.000 0.167 0.000 0.818 30 A HN 0.352 nan 8.150 nan 0.000 0.443 31 L N -0.855 120.294 121.223 -0.123 0.000 2.376 31 L HA -0.094 4.246 4.340 0.000 0.000 0.219 31 L C 2.256 179.098 176.870 -0.047 0.000 1.133 31 L CA 0.898 55.659 54.840 -0.133 0.000 0.816 31 L CB -0.170 41.718 42.059 -0.285 0.000 0.933 31 L HN 0.362 nan 8.230 nan 0.000 0.449 32 K N -0.320 120.077 120.400 -0.006 0.000 2.296 32 K HA 0.003 4.323 4.320 0.000 0.000 0.200 32 K C 2.114 178.735 176.600 0.036 0.000 1.048 32 K CA 0.943 57.248 56.287 0.030 0.000 0.966 32 K CB 0.045 32.575 32.500 0.050 0.000 0.754 32 K HN 0.256 nan 8.250 nan 0.000 0.466 33 A N 1.593 124.437 122.820 0.041 0.000 1.874 33 A HA 0.060 4.381 4.320 0.000 0.000 0.214 33 A C 2.320 179.928 177.584 0.039 0.000 1.189 33 A CA 1.406 53.473 52.037 0.050 0.000 0.615 33 A CB -0.427 18.616 19.000 0.073 0.000 0.830 33 A HN 0.260 nan 8.150 nan 0.000 0.443 34 A N -1.080 121.759 122.820 0.032 0.000 1.831 34 A HA 0.449 4.770 4.320 0.000 0.000 0.213 34 A C 1.607 179.199 177.584 0.014 0.000 1.223 34 A CA 1.633 53.686 52.037 0.025 0.000 0.604 34 A CB -1.172 17.849 19.000 0.034 0.000 0.878 34 A HN 2.225 nan 8.150 nan 0.000 0.450 35 G N -3.452 105.346 108.800 -0.004 0.000 2.663 35 G HA2 0.510 4.470 3.960 0.000 0.000 0.686 35 G HA3 0.510 4.470 3.960 0.000 0.000 0.686 35 G C 0.173 175.058 174.900 -0.024 0.000 1.246 35 G CA -0.155 44.939 45.100 -0.009 0.000 0.795 35 G HN 2.342 nan 8.290 nan 0.000 0.627 36 G N -0.864 107.915 108.800 -0.035 0.000 2.343 36 G HA2 0.553 4.513 3.960 0.000 0.000 0.289 36 G HA3 0.553 4.513 3.960 0.000 0.000 0.289 36 G C -1.435 173.450 174.900 -0.025 0.000 1.295 36 G CA -0.218 44.867 45.100 -0.024 0.000 0.869 36 G HN 1.592 nan 8.290 nan 0.000 0.522 37 L N 0.403 121.639 121.223 0.021 0.000 2.296 37 L HA 0.626 4.966 4.340 0.000 0.000 0.286 37 L C -1.117 175.826 176.870 0.121 0.000 1.023 37 L CA -0.838 54.045 54.840 0.072 0.000 0.812 37 L CB 1.276 43.404 42.059 0.115 0.000 1.223 37 L HN 0.672 nan 8.230 nan 0.000 0.421 38 W N 6.955 128.158 121.300 -0.161 0.000 2.318 38 W HA 0.303 4.963 4.660 0.000 0.000 0.315 38 W C -1.515 175.010 176.519 0.010 0.000 1.033 38 W CA -1.559 55.675 57.345 -0.184 0.000 1.275 38 W CB 1.131 30.263 29.460 -0.547 0.000 1.250 38 W HN 0.299 nan 8.180 nan 0.000 0.421 39 F N 5.530 125.696 119.950 0.361 0.000 2.427 39 F HA 0.774 5.301 4.527 0.000 0.000 0.346 39 F C 0.325 176.262 175.800 0.229 0.000 1.120 39 F CA 0.241 58.387 58.000 0.244 0.000 1.033 39 F CB 1.170 40.323 39.000 0.256 0.000 1.126 39 F HN 0.451 nan 8.300 nan 0.000 0.462 40 G N 3.856 112.365 108.800 -0.484 0.000 2.430 40 G HA2 0.173 4.133 3.960 0.000 0.000 0.300 40 G HA3 0.173 4.133 3.960 0.000 0.000 0.300 40 G C -2.546 171.679 174.900 -1.126 0.000 1.330 40 G CA -1.005 43.821 45.100 -0.457 0.000 0.813 40 G HN 0.735 nan 8.290 nan 0.000 0.487 41 W N 1.657 122.288 121.300 -1.116 0.000 2.287 41 W HA 0.487 5.147 4.660 0.000 0.000 0.313 41 W C 1.627 177.670 176.519 -0.793 0.000 1.267 41 W CA -0.042 56.532 57.345 -1.285 0.000 1.201 41 W CB 1.473 30.589 29.460 -0.572 0.000 1.196 41 W HN 0.791 nan 8.180 nan 0.000 0.536 42 S N 3.493 118.643 115.700 -0.917 0.000 2.419 42 S HA 0.026 4.496 4.470 0.000 0.000 0.233 42 S C 1.670 175.614 174.600 -1.094 0.000 1.016 42 S CA 1.351 59.065 58.200 -0.810 0.000 0.974 42 S CB -0.518 62.369 63.200 -0.522 0.000 0.786 42 S HN 1.691 nan 8.310 nan 0.000 0.492 43 G N 0.935 108.503 108.800 -2.054 0.000 2.254 43 G HA2 -0.201 3.759 3.960 0.000 0.000 0.225 43 G HA3 -0.201 3.759 3.960 0.000 0.000 0.225 43 G C -0.093 174.186 174.900 -1.035 0.000 1.003 43 G CA 0.068 43.950 45.100 -2.029 0.000 0.622 43 G HN 0.655 nan 8.290 nan 0.000 0.507 44 E N 1.207 121.074 120.200 -0.555 0.000 2.345 44 E HA 0.523 4.874 4.350 0.000 0.000 0.259 44 E C 0.336 177.039 176.600 0.172 0.000 1.117 44 E CA 0.356 56.670 56.400 -0.144 0.000 0.913 44 E CB 1.124 30.742 29.700 -0.136 0.000 1.057 44 E HN 0.583 nan 8.360 nan 0.000 0.432 45 T N -2.892 111.739 114.554 0.128 0.000 2.924 45 T HA 0.664 5.015 4.350 0.000 0.000 0.291 45 T C 0.332 175.076 174.700 0.074 0.000 1.045 45 T CA -0.071 62.117 62.100 0.147 0.000 1.015 45 T CB 1.716 70.653 68.868 0.115 0.000 1.103 45 T HN 0.887 nan 8.240 nan 0.000 0.496 46 G N 1.881 110.719 108.800 0.064 0.000 2.690 46 G HA2 0.025 3.985 3.960 0.000 0.000 0.686 46 G HA3 0.025 3.985 3.960 0.000 0.000 0.686 46 G C -0.099 174.823 174.900 0.037 0.000 1.277 46 G CA -0.276 44.846 45.100 0.037 0.000 0.799 46 G HN 2.057 nan 8.290 nan 0.000 0.613 47 N N -0.676 118.039 118.700 0.025 0.000 2.705 47 N HA -0.214 4.526 4.740 0.000 0.000 0.255 47 N C 0.754 176.287 175.510 0.039 0.000 1.008 47 N CA 1.146 54.210 53.050 0.023 0.000 0.742 47 N CB -0.473 38.022 38.487 0.013 0.000 0.906 47 N HN 0.885 nan 8.380 nan 0.000 0.541 48 E N 0.422 120.646 120.200 0.040 0.000 2.333 48 E HA -0.153 4.197 4.350 0.000 0.000 0.198 48 E C 0.532 177.158 176.600 0.044 0.000 1.007 48 E CA 1.015 57.445 56.400 0.051 0.000 0.845 48 E CB 0.135 29.848 29.700 0.021 0.000 0.766 48 E HN 0.536 nan 8.360 nan 0.000 0.507 49 D N -0.026 120.392 120.400 0.030 0.000 2.346 49 D HA -0.063 4.578 4.640 0.000 0.000 0.206 49 D C 0.773 177.091 176.300 0.030 0.000 1.001 49 D CA 0.013 54.027 54.000 0.023 0.000 0.871 49 D CB 0.189 40.996 40.800 0.011 0.000 0.943 49 D HN 0.168 nan 8.370 nan 0.000 0.518 50 Q N 1.892 121.712 119.800 0.033 0.000 2.369 50 Q HA 0.042 4.382 4.340 0.000 0.000 0.295 50 Q C -2.284 173.745 176.000 0.047 0.000 1.075 50 Q CA -0.891 54.931 55.803 0.032 0.000 0.941 50 Q CB 0.664 29.416 28.738 0.023 0.000 1.260 50 Q HN -0.149 nan 8.270 nan 0.000 0.417 51 P HA -0.061 nan 4.420 nan 0.000 0.270 51 P C -1.033 176.313 177.300 0.077 0.000 1.227 51 P CA -0.422 62.714 63.100 0.059 0.000 0.788 51 P CB 0.394 32.122 31.700 0.046 0.000 0.926 52 L N 1.471 122.760 121.223 0.110 0.000 2.540 52 L HA -0.014 4.326 4.340 0.000 0.000 0.276 52 L C 0.849 177.766 176.870 0.078 0.000 1.212 52 L CA 0.679 55.599 54.840 0.132 0.000 0.893 52 L CB -0.821 41.359 42.059 0.202 0.000 1.138 52 L HN 0.274 nan 8.230 nan 0.000 0.491 53 K N 4.245 124.669 120.400 0.039 0.000 2.273 53 K HA 0.211 4.531 4.320 0.000 0.000 0.287 53 K C -0.586 176.029 176.600 0.025 0.000 1.089 53 K CA 0.049 56.335 56.287 -0.001 0.000 0.909 53 K CB 0.110 32.570 32.500 -0.066 0.000 1.123 53 K HN 0.340 nan 8.250 nan 0.000 0.473 54 K N 3.024 123.453 120.400 0.047 0.000 2.263 54 K HA 0.377 4.697 4.320 0.000 0.000 0.272 54 K C -1.063 175.578 176.600 0.069 0.000 1.033 54 K CA -0.846 55.493 56.287 0.086 0.000 0.884 54 K CB 1.657 34.215 32.500 0.095 0.000 1.107 54 K HN 0.193 nan 8.250 nan 0.000 0.460 55 V N 3.471 123.454 119.914 0.115 0.000 2.588 55 V HA 0.314 4.434 4.120 0.000 0.000 0.304 55 V C -0.417 175.811 176.094 0.224 0.000 1.042 55 V CA -0.944 61.405 62.300 0.082 0.000 0.877 55 V CB 1.854 33.629 31.823 -0.080 0.000 0.996 55 V HN 0.563 nan 8.190 nan 0.000 0.425 56 K N 3.521 124.017 120.400 0.160 0.000 2.274 56 K HA 0.589 4.909 4.320 0.000 0.000 0.262 56 K C -1.036 175.674 176.600 0.184 0.000 0.961 56 K CA -0.788 55.620 56.287 0.202 0.000 0.833 56 K CB 1.514 34.090 32.500 0.126 0.000 1.102 56 K HN 0.550 nan 8.250 nan 0.000 0.436 57 K N 2.336 122.911 120.400 0.291 0.000 2.814 57 K HA 0.341 4.662 4.320 0.000 0.000 0.205 57 K C -0.151 176.584 176.600 0.225 0.000 1.093 57 K CA 0.399 56.823 56.287 0.229 0.000 1.035 57 K CB 0.593 33.225 32.500 0.220 0.000 1.220 57 K HN 0.928 nan 8.250 nan 0.000 0.576 58 G N 2.284 111.169 108.800 0.141 0.000 2.509 58 G HA2 -0.352 3.609 3.960 0.000 0.000 0.256 58 G HA3 -0.352 3.609 3.960 0.000 0.000 0.256 58 G C 0.218 175.178 174.900 0.099 0.000 1.152 58 G CA 0.146 45.311 45.100 0.109 0.000 0.951 58 G HN 0.576 nan 8.290 nan 0.000 0.559 59 N N 1.063 119.811 118.700 0.079 0.000 2.398 59 N HA 0.166 4.906 4.740 0.000 0.000 0.188 59 N C 0.765 176.293 175.510 0.029 0.000 1.122 59 N CA 0.668 53.750 53.050 0.052 0.000 0.866 59 N CB -0.038 38.471 38.487 0.037 0.000 0.970 59 N HN 0.725 nan 8.380 nan 0.000 0.462 60 I N 1.036 121.629 120.570 0.038 0.000 2.321 60 I HA 0.172 4.342 4.170 0.000 0.000 0.291 60 I C -0.361 175.767 176.117 0.019 0.000 0.998 60 I CA -0.526 60.718 61.300 -0.094 0.000 1.227 60 I CB 1.439 39.221 38.000 -0.362 0.000 1.368 60 I HN -0.189 nan 8.210 nan 0.000 0.466 61 T N 5.429 119.984 114.554 0.000 0.000 2.767 61 T HA 0.290 4.640 4.350 0.000 0.000 0.288 61 T C -0.404 174.356 174.700 0.098 0.000 0.963 61 T CA -0.370 61.812 62.100 0.137 0.000 1.019 61 T CB 0.657 69.597 68.868 0.119 0.000 0.923 61 T HN 0.354 nan 8.240 nan 0.000 0.468 62 W N 1.742 123.085 121.300 0.071 0.000 2.381 62 W HA 0.614 5.274 4.660 0.000 0.000 0.329 62 W C -0.014 176.518 176.519 0.022 0.000 1.157 62 W CA -1.067 56.289 57.345 0.017 0.000 1.240 62 W CB 1.353 30.744 29.460 -0.116 0.000 1.199 62 W HN 0.580 nan 8.180 nan 0.000 0.579 63 A N 2.488 125.442 122.820 0.223 0.000 2.411 63 A HA 0.566 4.886 4.320 0.000 0.000 0.285 63 A C -0.546 177.034 177.584 -0.007 0.000 1.129 63 A CA -0.450 51.691 52.037 0.174 0.000 0.736 63 A CB 0.930 20.117 19.000 0.311 0.000 1.186 63 A HN 0.427 nan 8.150 nan 0.000 0.445 64 S N 1.131 116.773 115.700 -0.097 0.000 2.607 64 S HA 0.938 5.409 4.470 0.000 0.000 0.303 64 S C -0.458 174.022 174.600 -0.201 0.000 1.086 64 S CA -0.672 57.324 58.200 -0.341 0.000 0.995 64 S CB 1.306 64.265 63.200 -0.402 0.000 1.084 64 S HN 1.333 nan 8.310 nan 0.000 0.507 65 F N -0.707 119.146 119.950 -0.162 0.000 2.593 65 F HA 0.702 5.229 4.527 0.000 0.000 0.320 65 F C -0.423 175.406 175.800 0.048 0.000 1.060 65 F CA -1.283 56.681 58.000 -0.061 0.000 0.940 65 F CB 0.724 39.676 39.000 -0.079 0.000 1.268 65 F HN 0.415 nan 8.300 nan 0.000 0.475 66 N N 1.141 120.012 118.700 0.285 0.000 2.476 66 N HA 0.500 5.241 4.740 0.000 0.000 0.275 66 N C -1.325 174.411 175.510 0.376 0.000 1.190 66 N CA -0.378 52.857 53.050 0.308 0.000 0.977 66 N CB 1.537 40.116 38.487 0.152 0.000 1.200 66 N HN 0.400 nan 8.380 nan 0.000 0.515 67 L N 0.174 121.565 121.223 0.279 0.000 2.333 67 L HA 0.359 4.700 4.340 0.000 0.000 0.269 67 L C 0.649 177.543 176.870 0.039 0.000 1.010 67 L CA -0.698 54.169 54.840 0.045 0.000 0.818 67 L CB 1.378 43.288 42.059 -0.247 0.000 1.306 67 L HN 0.681 nan 8.230 nan 0.000 0.430 68 S N 0.881 116.577 115.700 -0.007 0.000 2.592 68 S HA 0.128 4.598 4.470 0.000 0.000 0.271 68 S C 1.094 175.698 174.600 0.006 0.000 1.326 68 S CA 0.083 58.287 58.200 0.006 0.000 1.024 68 S CB 0.545 63.741 63.200 -0.006 0.000 0.921 68 S HN 0.740 nan 8.310 nan 0.000 0.527 69 E N 0.896 121.110 120.200 0.022 0.000 2.136 69 E HA -0.343 4.007 4.350 0.000 0.000 0.202 69 E C 1.646 178.265 176.600 0.031 0.000 1.019 69 E CA 1.854 58.272 56.400 0.030 0.000 0.819 69 E CB -0.216 29.503 29.700 0.031 0.000 0.739 69 E HN 0.774 nan 8.360 nan 0.000 0.458 70 Q N 0.553 120.366 119.800 0.023 0.000 2.187 70 Q HA -0.086 4.254 4.340 0.000 0.000 0.199 70 Q C 1.490 177.511 176.000 0.034 0.000 0.957 70 Q CA 1.644 57.464 55.803 0.029 0.000 0.857 70 Q CB 0.033 28.782 28.738 0.018 0.000 0.929 70 Q HN 0.336 nan 8.270 nan 0.000 0.453 71 D N -0.282 120.122 120.400 0.006 0.000 2.117 71 D HA -0.144 4.497 4.640 0.000 0.000 0.198 71 D C 1.841 178.176 176.300 0.059 0.000 0.982 71 D CA 0.901 54.898 54.000 -0.006 0.000 0.828 71 D CB -0.224 40.519 40.800 -0.095 0.000 0.967 71 D HN 0.290 nan 8.370 nan 0.000 0.464 72 L N 1.209 122.438 121.223 0.010 0.000 2.012 72 L HA -0.214 4.127 4.340 0.000 0.000 0.210 72 L C 1.783 178.753 176.870 0.167 0.000 1.073 72 L CA 2.087 56.943 54.840 0.027 0.000 0.748 72 L CB -0.618 41.421 42.059 -0.034 0.000 0.891 72 L HN -0.129 nan 8.230 nan 0.000 0.431 73 D N -0.784 119.692 120.400 0.127 0.000 2.087 73 D HA -0.245 4.395 4.640 0.000 0.000 0.192 73 D C 1.994 178.390 176.300 0.160 0.000 0.993 73 D CA 2.089 56.169 54.000 0.133 0.000 0.828 73 D CB -0.082 40.773 40.800 0.091 0.000 0.968 73 D HN 0.614 nan 8.370 nan 0.000 0.448 74 E N -1.586 118.714 120.200 0.167 0.000 2.076 74 E HA -0.104 4.246 4.350 0.000 0.000 0.190 74 E C 1.874 178.655 176.600 0.301 0.000 0.979 74 E CA 0.789 57.303 56.400 0.191 0.000 0.807 74 E CB -0.238 29.549 29.700 0.145 0.000 0.761 74 E HN 0.516 nan 8.360 nan 0.000 0.454 75 Y N -0.584 119.837 120.300 0.200 0.000 2.231 75 Y HA -0.170 4.380 4.550 0.000 0.000 0.294 75 Y C 2.007 178.143 175.900 0.393 0.000 1.120 75 Y CA 1.146 59.435 58.100 0.316 0.000 1.141 75 Y CB -0.147 38.422 38.460 0.181 0.000 1.022 75 Y HN 0.027 nan 8.280 nan 0.000 0.523 76 Y N 0.815 121.143 120.300 0.047 0.000 2.190 76 Y HA 0.025 4.576 4.550 0.000 0.000 0.290 76 Y C 2.116 178.029 175.900 0.022 0.000 1.115 76 Y CA 2.015 60.071 58.100 -0.073 0.000 1.107 76 Y CB -0.792 37.623 38.460 -0.074 0.000 1.033 76 Y HN 0.153 nan 8.280 nan 0.000 0.502 77 N N -0.603 118.148 118.700 0.086 0.000 2.106 77 N HA -0.170 4.570 4.740 0.000 0.000 0.188 77 N C 1.759 177.274 175.510 0.008 0.000 1.029 77 N CA 1.382 54.428 53.050 -0.007 0.000 0.848 77 N CB -0.044 38.504 38.487 0.101 0.000 1.007 77 N HN 0.483 nan 8.380 nan 0.000 0.423 78 Q N -0.019 119.830 119.800 0.081 0.000 1.937 78 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 78 Q C 1.657 177.710 176.000 0.088 0.000 0.977 78 Q CA 1.034 56.892 55.803 0.093 0.000 0.836 78 Q CB -0.262 28.552 28.738 0.128 0.000 0.899 78 Q HN 0.283 nan 8.270 nan 0.000 0.437 79 F N 1.235 121.192 119.950 0.012 0.000 2.098 79 F HA -0.141 4.386 4.527 0.000 0.000 0.294 79 F C 2.507 178.241 175.800 -0.111 0.000 1.107 79 F CA 1.361 59.334 58.000 -0.045 0.000 1.234 79 F CB -0.097 38.866 39.000 -0.061 0.000 1.002 79 F HN -0.029 nan 8.300 nan 0.000 0.472 80 S N 0.467 116.177 115.700 0.016 0.000 2.348 80 S HA -0.178 4.292 4.470 0.000 0.000 0.221 80 S C 1.567 176.147 174.600 -0.033 0.000 1.033 80 S CA 1.593 59.785 58.200 -0.013 0.000 1.010 80 S CB -0.437 62.750 63.200 -0.022 0.000 0.891 80 S HN 0.394 nan 8.310 nan 0.000 0.442 81 N N 0.889 119.521 118.700 -0.114 0.000 2.422 81 N HA 0.252 4.992 4.740 0.000 0.000 0.181 81 N C 0.933 176.477 175.510 0.057 0.000 1.080 81 N CA 0.728 53.718 53.050 -0.100 0.000 0.893 81 N CB 0.065 38.326 38.487 -0.377 0.000 0.973 81 N HN 0.415 nan 8.380 nan 0.000 0.456 82 A N -0.817 122.006 122.820 0.004 0.000 2.469 82 A HA 0.382 4.702 4.320 0.000 0.000 0.245 82 A C 1.412 178.968 177.584 -0.046 0.000 1.221 82 A CA -0.021 52.039 52.037 0.040 0.000 0.946 82 A CB 0.584 19.607 19.000 0.038 0.000 1.049 82 A HN 0.024 nan 8.150 nan 0.000 0.529 83 V N -0.980 118.813 119.914 -0.201 0.000 3.278 83 V HA 0.110 4.230 4.120 0.000 0.000 0.215 83 V C 2.125 178.014 176.094 -0.342 0.000 1.287 83 V CA 0.607 62.697 62.300 -0.350 0.000 1.302 83 V CB -0.675 30.693 31.823 -0.758 0.000 1.228 83 V HN 0.407 nan 8.190 nan 0.000 0.523 84 L N -0.299 120.638 121.223 -0.476 0.000 2.027 84 L HA -0.157 4.183 4.340 0.000 0.000 0.206 84 L C 2.445 179.115 176.870 -0.335 0.000 1.074 84 L CA 2.168 56.733 54.840 -0.457 0.000 0.745 84 L CB -0.488 41.277 42.059 -0.490 0.000 0.898 84 L HN 0.574 nan 8.230 nan 0.000 0.433 85 W N 2.879 123.946 121.300 -0.389 0.000 2.333 85 W HA -0.138 4.522 4.660 0.000 0.000 0.316 85 W C -0.639 175.941 176.519 0.102 0.000 1.215 85 W CA 1.877 59.078 57.345 -0.241 0.000 1.278 85 W CB -1.478 27.845 29.460 -0.228 0.000 1.154 85 W HN 0.100 nan 8.180 nan 0.000 0.486 86 P HA -0.164 nan 4.420 nan 0.000 0.215 86 P C 1.622 178.983 177.300 0.102 0.000 1.157 86 P CA 3.059 66.315 63.100 0.260 0.000 0.863 86 P CB -0.416 31.386 31.700 0.170 0.000 0.787 87 A N -0.354 122.493 122.820 0.045 0.000 1.883 87 A HA -0.162 4.158 4.320 0.000 0.000 0.217 87 A C 2.211 179.796 177.584 0.001 0.000 1.186 87 A CA 1.477 53.517 52.037 0.005 0.000 0.624 87 A CB -1.894 17.111 19.000 0.009 0.000 0.822 87 A HN 0.136 nan 8.150 nan 0.000 0.444 88 F N -1.346 118.438 119.950 -0.276 0.000 2.451 88 F HA -0.111 4.416 4.527 0.000 0.000 0.299 88 F C 1.546 177.072 175.800 -0.456 0.000 1.101 88 F CA 0.840 58.603 58.000 -0.395 0.000 1.436 88 F CB -0.047 38.705 39.000 -0.413 0.000 1.074 88 F HN 0.313 nan 8.300 nan 0.000 0.553 89 H N -1.835 117.177 119.070 -0.096 0.000 2.524 89 H HA 0.158 4.714 4.556 0.000 0.000 0.299 89 H C -0.639 174.814 175.328 0.208 0.000 1.074 89 H CA -0.401 55.646 56.048 -0.002 0.000 1.115 89 H CB -0.707 28.915 29.762 -0.233 0.000 1.522 89 H HN 0.128 nan 8.280 nan 0.000 0.543 90 Y N -0.152 120.124 120.300 -0.039 0.000 3.589 90 Y HA -0.280 4.270 4.550 0.000 0.000 0.218 90 Y C 0.073 175.954 175.900 -0.032 0.000 1.234 90 Y CA -0.021 58.048 58.100 -0.051 0.000 1.576 90 Y CB -1.022 37.395 38.460 -0.071 0.000 1.487 90 Y HN 0.311 nan 8.280 nan 0.000 0.616 91 R N 0.470 121.011 120.500 0.069 0.000 2.983 91 R HA 0.241 4.581 4.340 0.000 0.000 0.300 91 R C 0.847 177.116 176.300 -0.051 0.000 1.367 91 R CA -0.525 55.574 56.100 -0.001 0.000 1.564 91 R CB 0.387 30.665 30.300 -0.037 0.000 1.314 91 R HN 0.212 nan 8.270 nan 0.000 0.622 92 L N 1.786 122.972 121.223 -0.062 0.000 2.127 92 L HA -0.206 4.134 4.340 0.000 0.000 0.211 92 L C 1.978 178.803 176.870 -0.075 0.000 1.089 92 L CA 1.962 56.754 54.840 -0.081 0.000 0.757 92 L CB -0.417 41.584 42.059 -0.096 0.000 0.899 92 L HN 0.446 nan 8.230 nan 0.000 0.434 93 D N -1.688 118.666 120.400 -0.077 0.000 2.263 93 D HA -0.213 4.427 4.640 0.000 0.000 0.208 93 D C 1.813 178.058 176.300 -0.092 0.000 0.971 93 D CA 0.783 54.736 54.000 -0.078 0.000 0.867 93 D CB -0.048 40.705 40.800 -0.079 0.000 0.929 93 D HN 0.228 nan 8.370 nan 0.000 0.492 94 L N 0.953 122.105 121.223 -0.120 0.000 2.554 94 L HA 0.157 4.497 4.340 0.000 0.000 0.225 94 L C 0.945 177.775 176.870 -0.066 0.000 1.104 94 L CA -0.064 54.691 54.840 -0.142 0.000 0.866 94 L CB -0.045 41.834 42.059 -0.299 0.000 1.047 94 L HN -0.006 nan 8.230 nan 0.000 0.468 95 V N 1.085 120.970 119.914 -0.048 0.000 2.585 95 V HA 0.119 4.239 4.120 0.000 0.000 0.296 95 V C 0.133 176.232 176.094 0.010 0.000 1.035 95 V CA -0.144 62.143 62.300 -0.022 0.000 1.084 95 V CB 0.722 32.519 31.823 -0.043 0.000 0.953 95 V HN 0.324 nan 8.190 nan 0.000 0.483 96 Q N 6.539 126.355 119.800 0.026 0.000 2.815 96 Q HA 0.309 4.649 4.340 0.000 0.000 0.329 96 Q C -0.770 175.280 176.000 0.083 0.000 1.037 96 Q CA -0.160 55.671 55.803 0.047 0.000 1.002 96 Q CB 1.021 29.778 28.738 0.031 0.000 1.274 96 Q HN 0.879 nan 8.270 nan 0.000 0.452 97 F N 1.868 121.813 119.950 -0.009 0.000 2.445 97 F HA 0.231 4.758 4.527 0.000 0.000 0.359 97 F C -0.027 175.816 175.800 0.071 0.000 1.101 97 F CA 0.223 58.246 58.000 0.038 0.000 1.177 97 F CB 0.614 39.616 39.000 0.004 0.000 1.110 97 F HN 0.172 nan 8.300 nan 0.000 0.522 98 Q N 4.368 123.841 119.800 -0.546 0.000 2.389 98 Q HA 0.251 4.591 4.340 0.000 0.000 0.277 98 Q C 0.502 176.052 176.000 -0.749 0.000 1.082 98 Q CA -1.073 54.427 55.803 -0.505 0.000 0.810 98 Q CB 2.356 31.009 28.738 -0.141 0.000 1.374 98 Q HN 0.699 nan 8.270 nan 0.000 0.422 99 R N 1.775 122.033 120.500 -0.403 0.000 2.103 99 R HA -0.129 4.211 4.340 0.000 0.000 0.242 99 R C -1.080 175.217 176.300 -0.004 0.000 1.142 99 R CA 2.266 58.295 56.100 -0.118 0.000 0.960 99 R CB -1.064 29.299 30.300 0.104 0.000 0.858 99 R HN 0.420 nan 8.270 nan 0.000 0.439 100 P HA -0.004 nan 4.420 nan 0.000 0.220 100 P C 0.606 177.916 177.300 0.018 0.000 1.148 100 P CA 1.761 64.867 63.100 0.010 0.000 0.803 100 P CB -0.109 31.595 31.700 0.007 0.000 0.782 101 A N -0.928 121.899 122.820 0.011 0.000 1.929 101 A HA -0.161 4.159 4.320 0.000 0.000 0.216 101 A C 2.176 179.822 177.584 0.103 0.000 1.176 101 A CA 0.885 52.983 52.037 0.101 0.000 0.628 101 A CB -1.875 17.216 19.000 0.153 0.000 0.816 101 A HN 0.301 nan 8.150 nan 0.000 0.444 102 W N 1.211 122.376 121.300 -0.226 0.000 2.354 102 W HA -0.198 4.462 4.660 0.000 0.000 0.315 102 W C 1.032 177.444 176.519 -0.179 0.000 1.206 102 W CA 1.844 58.928 57.345 -0.434 0.000 1.290 102 W CB -0.233 29.099 29.460 -0.214 0.000 1.152 102 W HN 0.382 nan 8.180 nan 0.000 0.489 103 D N 0.169 120.481 120.400 -0.148 0.000 2.123 103 D HA -0.140 4.500 4.640 0.000 0.000 0.196 103 D C 2.355 178.545 176.300 -0.184 0.000 0.992 103 D CA 1.992 55.858 54.000 -0.224 0.000 0.833 103 D CB -1.120 39.647 40.800 -0.055 0.000 0.954 103 D HN 0.322 nan 8.370 nan 0.000 0.455 104 G N -0.036 108.722 108.800 -0.071 0.000 2.476 104 G HA2 -0.341 3.620 3.960 0.000 0.000 0.218 104 G HA3 -0.341 3.620 3.960 0.000 0.000 0.218 104 G C 1.619 176.539 174.900 0.034 0.000 1.164 104 G CA 0.927 46.026 45.100 -0.002 0.000 0.768 104 G HN 0.300 nan 8.290 nan 0.000 0.560 105 Y N 1.294 121.520 120.300 -0.124 0.000 2.128 105 Y HA -0.089 4.461 4.550 0.000 0.000 0.284 105 Y C 2.625 178.431 175.900 -0.157 0.000 1.154 105 Y CA 1.579 59.649 58.100 -0.051 0.000 1.149 105 Y CB -0.314 37.967 38.460 -0.298 0.000 0.976 105 Y HN 0.123 nan 8.280 nan 0.000 0.505 106 L N -0.255 120.720 121.223 -0.413 0.000 2.093 106 L HA -0.204 4.136 4.340 0.000 0.000 0.208 106 L C 2.732 179.431 176.870 -0.285 0.000 1.085 106 L CA 1.605 56.171 54.840 -0.457 0.000 0.755 106 L CB -0.628 41.081 42.059 -0.584 0.000 0.904 106 L HN 0.158 nan 8.230 nan 0.000 0.435 107 R N 0.298 120.663 120.500 -0.225 0.000 2.073 107 R HA -0.171 4.169 4.340 0.000 0.000 0.234 107 R C 2.370 178.560 176.300 -0.183 0.000 1.134 107 R CA 1.969 57.967 56.100 -0.170 0.000 0.952 107 R CB -0.252 29.973 30.300 -0.126 0.000 0.850 107 R HN 0.343 nan 8.270 nan 0.000 0.433 108 V N 0.332 120.120 119.914 -0.210 0.000 2.591 108 V HA -0.114 4.006 4.120 0.000 0.000 0.249 108 V C 1.621 177.526 176.094 -0.316 0.000 1.053 108 V CA 1.696 63.803 62.300 -0.322 0.000 1.068 108 V CB -0.506 31.028 31.823 -0.482 0.000 0.689 108 V HN 0.352 nan 8.190 nan 0.000 0.462 109 N N 1.063 119.619 118.700 -0.240 0.000 2.104 109 N HA -0.167 4.573 4.740 0.000 0.000 0.190 109 N C 1.953 177.418 175.510 -0.074 0.000 1.024 109 N CA 1.945 54.954 53.050 -0.068 0.000 0.853 109 N CB -0.240 38.178 38.487 -0.115 0.000 1.008 109 N HN 0.670 nan 8.380 nan 0.000 0.424 110 A N 2.220 124.947 122.820 -0.157 0.000 1.873 110 A HA -0.074 4.246 4.320 0.000 0.000 0.215 110 A C 2.243 179.736 177.584 -0.152 0.000 1.186 110 A CA 0.686 52.620 52.037 -0.171 0.000 0.616 110 A CB -0.840 18.065 19.000 -0.158 0.000 0.823 110 A HN 0.285 nan 8.150 nan 0.000 0.442 111 L N -0.740 120.393 121.223 -0.150 0.000 2.051 111 L HA -0.200 4.140 4.340 0.000 0.000 0.214 111 L C 2.237 179.028 176.870 -0.132 0.000 1.076 111 L CA 2.095 56.847 54.840 -0.147 0.000 0.758 111 L CB -0.683 41.267 42.059 -0.182 0.000 0.890 111 L HN 0.310 nan 8.230 nan 0.000 0.433 112 L N 0.207 121.363 121.223 -0.110 0.000 2.109 112 L HA -0.047 4.293 4.340 0.000 0.000 0.207 112 L C 2.931 179.915 176.870 0.191 0.000 1.086 112 L CA 1.792 56.648 54.840 0.027 0.000 0.760 112 L CB -1.595 40.523 42.059 0.098 0.000 0.910 112 L HN 0.281 nan 8.230 nan 0.000 0.437 113 A N -0.587 122.236 122.820 0.005 0.000 1.902 113 A HA -0.213 4.107 4.320 0.000 0.000 0.217 113 A C 1.997 179.475 177.584 -0.176 0.000 1.181 113 A CA 1.834 53.694 52.037 -0.295 0.000 0.623 113 A CB -0.572 18.087 19.000 -0.570 0.000 0.818 113 A HN 0.417 nan 8.150 nan 0.000 0.443 114 D N -0.111 120.212 120.400 -0.129 0.000 2.144 114 D HA -0.131 4.509 4.640 0.000 0.000 0.199 114 D C 1.862 178.128 176.300 -0.056 0.000 0.984 114 D CA 1.359 55.302 54.000 -0.095 0.000 0.834 114 D CB -0.243 40.507 40.800 -0.083 0.000 0.955 114 D HN 0.513 nan 8.370 nan 0.000 0.465 115 K N 0.321 120.713 120.400 -0.015 0.000 2.103 115 K HA 0.014 4.335 4.320 0.000 0.000 0.204 115 K C 2.265 178.856 176.600 -0.015 0.000 1.052 115 K CA 0.142 56.465 56.287 0.061 0.000 0.945 115 K CB 0.021 32.636 32.500 0.192 0.000 0.722 115 K HN 0.131 nan 8.250 nan 0.000 0.443 116 L N 1.401 122.492 121.223 -0.221 0.000 2.093 116 L HA -0.144 4.196 4.340 0.000 0.000 0.208 116 L C 2.279 179.031 176.870 -0.196 0.000 1.085 116 L CA 0.822 55.381 54.840 -0.468 0.000 0.755 116 L CB -0.238 41.513 42.059 -0.514 0.000 0.904 116 L HN 0.286 nan 8.230 nan 0.000 0.435 117 L N 0.619 121.762 121.223 -0.133 0.000 1.991 117 L HA -0.231 4.109 4.340 0.000 0.000 0.221 117 L C -0.258 176.577 176.870 -0.059 0.000 1.079 117 L CA 2.213 56.996 54.840 -0.094 0.000 0.778 117 L CB -1.710 40.294 42.059 -0.091 0.000 0.893 117 L HN 0.260 nan 8.230 nan 0.000 0.437 118 P HA -0.144 nan 4.420 nan 0.000 0.225 118 P C 1.479 178.777 177.300 -0.003 0.000 1.148 118 P CA 1.280 64.371 63.100 -0.014 0.000 0.779 118 P CB -0.038 31.663 31.700 0.001 0.000 0.780 119 L N -1.551 119.667 121.223 -0.009 0.000 2.591 119 L HA 0.143 4.484 4.340 0.000 0.000 0.228 119 L C 1.184 178.059 176.870 0.007 0.000 1.133 119 L CA -0.051 54.797 54.840 0.012 0.000 0.880 119 L CB -0.543 41.532 42.059 0.026 0.000 1.033 119 L HN -0.096 nan 8.230 nan 0.000 0.450 120 L N 0.843 122.061 121.223 -0.009 0.000 2.305 120 L HA 0.253 4.594 4.340 0.000 0.000 0.281 120 L C 0.164 177.038 176.870 0.006 0.000 1.085 120 L CA -0.066 54.774 54.840 -0.000 0.000 0.813 120 L CB 1.029 43.081 42.059 -0.012 0.000 1.157 120 L HN 0.197 nan 8.230 nan 0.000 0.436 121 Q N 1.203 121.012 119.800 0.016 0.000 2.199 121 Q HA 0.117 4.458 4.340 0.000 0.000 0.232 121 Q C -0.078 175.930 176.000 0.012 0.000 0.969 121 Q CA -0.810 55.002 55.803 0.014 0.000 0.925 121 Q CB 1.444 30.194 28.738 0.020 0.000 1.198 121 Q HN 0.483 nan 8.270 nan 0.000 0.494 122 D N 0.582 120.987 120.400 0.009 0.000 2.183 122 D HA -0.130 4.511 4.640 0.000 0.000 0.203 122 D C 0.529 176.835 176.300 0.010 0.000 0.969 122 D CA 1.145 55.149 54.000 0.007 0.000 0.842 122 D CB 0.107 40.910 40.800 0.003 0.000 0.957 122 D HN 0.504 nan 8.370 nan 0.000 0.484 123 D N -0.635 119.773 120.400 0.013 0.000 2.368 123 D HA -0.009 4.632 4.640 0.000 0.000 0.218 123 D C -0.305 176.007 176.300 0.020 0.000 1.112 123 D CA -0.296 53.712 54.000 0.014 0.000 0.834 123 D CB -0.285 40.522 40.800 0.010 0.000 0.953 123 D HN -0.108 nan 8.370 nan 0.000 0.505 124 D N 1.367 121.784 120.400 0.027 0.000 2.455 124 D HA 0.119 4.759 4.640 0.000 0.000 0.241 124 D C 0.708 177.036 176.300 0.048 0.000 1.138 124 D CA -0.009 54.016 54.000 0.041 0.000 0.877 124 D CB 1.181 42.010 40.800 0.047 0.000 1.187 124 D HN 0.407 nan 8.370 nan 0.000 0.451 125 I N -0.618 119.985 120.570 0.056 0.000 2.392 125 I HA 0.495 4.665 4.170 0.000 0.000 0.295 125 I C -0.510 175.681 176.117 0.123 0.000 0.985 125 I CA -0.766 60.574 61.300 0.067 0.000 1.221 125 I CB 1.166 39.182 38.000 0.028 0.000 1.366 125 I HN 0.103 nan 8.210 nan 0.000 0.467 126 I N 5.933 126.602 120.570 0.165 0.000 2.389 126 I HA 0.297 4.467 4.170 0.000 0.000 0.288 126 I C -1.258 175.077 176.117 0.363 0.000 0.999 126 I CA -0.307 61.143 61.300 0.250 0.000 1.129 126 I CB 1.626 39.773 38.000 0.245 0.000 1.288 126 I HN 0.657 nan 8.210 nan 0.000 0.444 127 W N 8.606 129.996 121.300 0.150 0.000 2.336 127 W HA 0.505 5.165 4.660 0.000 0.000 0.315 127 W C -1.261 175.303 176.519 0.074 0.000 1.016 127 W CA -1.141 56.255 57.345 0.085 0.000 1.318 127 W CB 0.939 30.387 29.460 -0.019 0.000 1.247 127 W HN 0.178 nan 8.180 nan 0.000 0.414 128 I N 6.156 126.983 120.570 0.428 0.000 2.385 128 I HA 0.217 4.387 4.170 0.000 0.000 0.294 128 I C 0.248 176.303 176.117 -0.104 0.000 0.988 128 I CA -0.711 60.767 61.300 0.297 0.000 1.265 128 I CB 0.962 39.335 38.000 0.621 0.000 1.388 128 I HN 0.297 nan 8.210 nan 0.000 0.480 129 H N 4.493 123.562 119.070 -0.001 0.000 2.539 129 H HA 0.364 4.920 4.556 0.000 0.000 0.332 129 H C -0.673 174.695 175.328 0.067 0.000 1.031 129 H CA -0.347 55.659 56.048 -0.070 0.000 1.206 129 H CB 1.752 31.482 29.762 -0.054 0.000 1.446 129 H HN 0.599 nan 8.280 nan 0.000 0.496 130 D N 0.533 120.938 120.400 0.008 0.000 10.696 130 D HA -0.227 4.413 4.640 0.000 0.000 0.353 130 D C 0.807 177.396 176.300 0.483 0.000 3.125 130 D CA 0.632 54.808 54.000 0.294 0.000 2.612 130 D CB -0.379 40.635 40.800 0.356 0.000 1.223 130 D HN 0.660 nan 8.370 nan 0.000 0.947 131 Y N -0.027 120.530 120.300 0.429 0.000 2.384 131 Y HA -0.035 4.516 4.550 0.000 0.000 0.289 131 Y C 2.034 178.126 175.900 0.321 0.000 1.152 131 Y CA 1.998 60.276 58.100 0.296 0.000 1.258 131 Y CB -0.889 37.541 38.460 -0.050 0.000 0.979 131 Y HN 0.500 nan 8.280 nan 0.000 0.549 132 H N 0.416 119.460 119.070 -0.042 0.000 2.518 132 H HA 0.075 4.631 4.556 0.000 0.000 0.289 132 H C 0.759 176.319 175.328 0.386 0.000 1.051 132 H CA 1.620 57.764 56.048 0.161 0.000 1.280 132 H CB -0.140 29.608 29.762 -0.024 0.000 1.380 132 H HN 0.424 nan 8.280 nan 0.000 0.566 133 L N -0.054 121.482 121.223 0.521 0.000 3.267 133 L HA 0.170 4.510 4.340 0.000 0.000 0.289 133 L C 0.829 178.010 176.870 0.517 0.000 1.260 133 L CA -0.051 55.078 54.840 0.482 0.000 1.034 133 L CB 0.449 42.746 42.059 0.397 0.000 1.413 133 L HN 0.154 nan 8.230 nan 0.000 0.594 134 L N 0.851 122.351 121.223 0.462 0.000 2.051 134 L HA -0.180 4.160 4.340 0.000 0.000 0.214 134 L C -0.536 176.517 176.870 0.305 0.000 1.076 134 L CA 1.653 56.647 54.840 0.256 0.000 0.758 134 L CB -1.243 41.054 42.059 0.396 0.000 0.890 134 L HN 0.325 nan 8.230 nan 0.000 0.433 135 P HA -0.058 nan 4.420 nan 0.000 0.249 135 P C 1.190 178.602 177.300 0.187 0.000 1.229 135 P CA 0.431 63.639 63.100 0.180 0.000 0.788 135 P CB 0.034 31.757 31.700 0.039 0.000 1.072 136 F N 1.719 121.750 119.950 0.136 0.000 2.102 136 F HA -0.156 4.371 4.527 0.000 0.000 0.298 136 F C 2.336 178.120 175.800 -0.027 0.000 1.105 136 F CA 1.627 59.691 58.000 0.108 0.000 1.239 136 F CB -0.826 38.330 39.000 0.259 0.000 0.991 136 F HN -0.068 nan 8.300 nan 0.000 0.474 137 A N -0.886 121.844 122.820 -0.150 0.000 1.908 137 A HA -0.329 3.992 4.320 0.000 0.000 0.218 137 A C 2.033 179.443 177.584 -0.290 0.000 1.181 137 A CA 2.185 53.950 52.037 -0.454 0.000 0.627 137 A CB -1.434 16.798 19.000 -1.280 0.000 0.818 137 A HN 0.631 nan 8.150 nan 0.000 0.445 138 H N -0.238 118.658 119.070 -0.291 0.000 2.352 138 H HA -0.109 4.448 4.556 0.000 0.000 0.299 138 H C 1.933 177.135 175.328 -0.210 0.000 1.097 138 H CA 1.964 57.892 56.048 -0.200 0.000 1.311 138 H CB 0.080 29.764 29.762 -0.130 0.000 1.377 138 H HN 0.418 nan 8.280 nan 0.000 0.504 139 E N 0.370 120.409 120.200 -0.269 0.000 2.106 139 E HA -0.113 4.238 4.350 0.000 0.000 0.192 139 E C 2.585 178.942 176.600 -0.404 0.000 0.984 139 E CA 0.827 57.007 56.400 -0.366 0.000 0.806 139 E CB -0.219 29.247 29.700 -0.390 0.000 0.750 139 E HN 0.541 nan 8.360 nan 0.000 0.458 140 L N 0.702 121.667 121.223 -0.430 0.000 2.017 140 L HA -0.151 4.190 4.340 0.000 0.000 0.208 140 L C 2.497 179.222 176.870 -0.241 0.000 1.073 140 L CA 0.953 55.594 54.840 -0.331 0.000 0.745 140 L CB -0.380 41.515 42.059 -0.274 0.000 0.894 140 L HN 0.003 nan 8.230 nan 0.000 0.432 141 R N 0.419 120.774 120.500 -0.241 0.000 2.096 141 R HA -0.162 4.178 4.340 0.000 0.000 0.235 141 R C 2.082 178.256 176.300 -0.210 0.000 1.127 141 R CA 1.071 57.055 56.100 -0.193 0.000 0.968 141 R CB -0.623 29.571 30.300 -0.177 0.000 0.861 141 R HN 0.361 nan 8.270 nan 0.000 0.440 142 K N 0.869 121.091 120.400 -0.297 0.000 2.209 142 K HA -0.073 4.247 4.320 0.000 0.000 0.204 142 K C 1.159 177.646 176.600 -0.189 0.000 1.048 142 K CA 1.069 57.194 56.287 -0.269 0.000 0.940 142 K CB 0.134 32.422 32.500 -0.353 0.000 0.729 142 K HN 0.036 nan 8.250 nan 0.000 0.451 143 R N -0.923 119.465 120.500 -0.187 0.000 2.466 143 R HA 0.103 4.443 4.340 0.000 0.000 0.279 143 R C 0.527 176.758 176.300 -0.115 0.000 0.976 143 R CA 0.440 56.453 56.100 -0.145 0.000 1.081 143 R CB 0.744 30.948 30.300 -0.160 0.000 1.215 143 R HN 0.339 nan 8.270 nan 0.000 0.546 144 G N 1.137 109.871 108.800 -0.110 0.000 2.153 144 G HA2 -0.282 3.679 3.960 0.000 0.000 0.252 144 G HA3 -0.282 3.679 3.960 0.000 0.000 0.252 144 G C 0.171 175.030 174.900 -0.068 0.000 0.994 144 G CA 0.373 45.425 45.100 -0.080 0.000 0.698 144 G HN 0.336 nan 8.290 nan 0.000 0.521 145 V N -1.505 118.360 119.914 -0.081 0.000 2.455 145 V HA 0.608 4.728 4.120 0.000 0.000 0.273 145 V C 0.787 176.856 176.094 -0.042 0.000 1.045 145 V CA 0.451 62.717 62.300 -0.057 0.000 0.976 145 V CB 0.961 32.749 31.823 -0.058 0.000 0.993 145 V HN 0.271 nan 8.190 nan 0.000 0.475 146 N N 3.653 122.340 118.700 -0.023 0.000 2.236 146 N HA 0.190 4.930 4.740 0.000 0.000 0.196 146 N C -0.066 175.448 175.510 0.006 0.000 1.114 146 N CA -0.352 52.692 53.050 -0.010 0.000 0.859 146 N CB 0.068 38.550 38.487 -0.008 0.000 0.982 146 N HN 0.760 nan 8.380 nan 0.000 0.493 147 N N 1.166 119.872 118.700 0.011 0.000 2.307 147 N HA 0.021 4.761 4.740 0.000 0.000 0.230 147 N C -0.013 175.522 175.510 0.042 0.000 1.297 147 N CA 0.102 53.168 53.050 0.027 0.000 0.884 147 N CB 0.429 38.938 38.487 0.037 0.000 1.115 147 N HN -0.027 nan 8.380 nan 0.000 0.436 148 R N 0.776 121.302 120.500 0.044 0.000 2.480 148 R HA 0.180 4.520 4.340 0.000 0.000 0.303 148 R C -0.465 175.896 176.300 0.102 0.000 0.985 148 R CA 0.530 56.662 56.100 0.054 0.000 1.051 148 R CB -0.275 30.037 30.300 0.019 0.000 0.935 148 R HN 0.463 nan 8.270 nan 0.000 0.410 149 I N 2.310 122.971 120.570 0.152 0.000 2.447 149 I HA 0.398 4.568 4.170 0.000 0.000 0.287 149 I C 0.597 176.945 176.117 0.385 0.000 1.023 149 I CA -0.797 60.670 61.300 0.278 0.000 1.083 149 I CB 2.233 40.392 38.000 0.266 0.000 1.245 149 I HN 0.607 nan 8.210 nan 0.000 0.434 150 G N 4.836 113.868 108.800 0.386 0.000 2.417 150 G HA2 0.667 4.628 3.960 0.000 0.000 0.334 150 G HA3 0.667 4.628 3.960 0.000 0.000 0.334 150 G C -1.717 173.472 174.900 0.482 0.000 1.150 150 G CA -0.343 44.980 45.100 0.373 0.000 0.923 150 G HN 0.394 nan 8.290 nan 0.000 0.485 151 F N 1.112 121.113 119.950 0.084 0.000 2.540 151 F HA 0.733 5.261 4.527 0.000 0.000 0.317 151 F C -1.603 174.195 175.800 -0.003 0.000 1.104 151 F CA -1.867 55.984 58.000 -0.249 0.000 0.913 151 F CB 2.132 40.481 39.000 -1.085 0.000 1.170 151 F HN 0.362 nan 8.300 nan 0.000 0.450 152 F N 7.641 127.041 119.950 -0.916 0.000 2.477 152 F HA 0.580 5.107 4.527 0.000 0.000 0.335 152 F C -1.802 173.444 175.800 -0.923 0.000 1.130 152 F CA -1.059 56.513 58.000 -0.715 0.000 0.948 152 F CB 1.259 39.968 39.000 -0.486 0.000 1.154 152 F HN 0.422 nan 8.300 nan 0.000 0.439 153 L N 6.969 127.449 121.223 -1.239 0.000 2.260 153 L HA 0.316 4.656 4.340 0.000 0.000 0.289 153 L C 0.647 177.202 176.870 -0.525 0.000 1.057 153 L CA 0.160 54.674 54.840 -0.543 0.000 0.811 153 L CB 0.397 42.439 42.059 -0.028 0.000 1.184 153 L HN 0.691 nan 8.230 nan 0.000 0.429 154 H N 5.513 124.602 119.070 0.032 0.000 2.535 154 H HA 0.143 4.700 4.556 0.000 0.000 0.273 154 H C 0.395 175.878 175.328 0.258 0.000 0.983 154 H CA 0.938 57.147 56.048 0.268 0.000 1.238 154 H CB 0.306 30.308 29.762 0.400 0.000 1.412 154 H HN 0.634 nan 8.280 nan 0.000 0.562 155 I N -1.359 119.413 120.570 0.336 0.000 3.076 155 I HA 0.490 4.660 4.170 0.000 0.000 0.313 155 I C -2.718 173.489 176.117 0.151 0.000 1.053 155 I CA -2.801 58.618 61.300 0.198 0.000 1.048 155 I CB 1.432 39.478 38.000 0.077 0.000 1.264 155 I HN -0.323 nan 8.210 nan 0.000 0.498 156 P HA 0.157 nan 4.420 nan 0.000 0.272 156 P C -1.330 176.043 177.300 0.122 0.000 1.230 156 P CA 0.164 63.309 63.100 0.075 0.000 0.788 156 P CB 0.283 31.980 31.700 -0.005 0.000 0.949 157 F N 3.331 123.293 119.950 0.020 0.000 2.411 157 F HA 0.423 4.950 4.527 0.000 0.000 0.352 157 F C -2.126 173.527 175.800 -0.245 0.000 1.123 157 F CA -2.518 55.381 58.000 -0.169 0.000 1.044 157 F CB 1.278 40.257 39.000 -0.035 0.000 1.135 157 F HN 0.189 nan 8.300 nan 0.000 0.461 158 P HA 0.145 nan 4.420 nan 0.000 0.278 158 P C -0.621 176.553 177.300 -0.210 0.000 1.238 158 P CA -0.308 62.475 63.100 -0.527 0.000 0.794 158 P CB 0.900 32.038 31.700 -0.937 0.000 0.955 159 T N -0.025 114.482 114.554 -0.080 0.000 2.906 159 T HA 0.044 4.394 4.350 0.000 0.000 0.320 159 T C -1.660 173.029 174.700 -0.018 0.000 1.088 159 T CA -0.859 61.247 62.100 0.010 0.000 1.120 159 T CB -0.888 68.020 68.868 0.066 0.000 1.000 159 T HN 0.237 nan 8.240 nan 0.000 0.550 160 P HA -0.188 nan 4.420 nan 0.000 0.218 160 P C 1.697 178.983 177.300 -0.024 0.000 1.154 160 P CA 1.214 64.337 63.100 0.039 0.000 0.872 160 P CB 0.032 31.737 31.700 0.009 0.000 0.790 161 E N -1.235 118.936 120.200 -0.049 0.000 2.160 161 E HA -0.156 4.195 4.350 0.000 0.000 0.195 161 E C 1.909 178.436 176.600 -0.122 0.000 0.991 161 E CA 1.133 57.486 56.400 -0.079 0.000 0.810 161 E CB -0.597 29.072 29.700 -0.052 0.000 0.742 161 E HN 0.297 nan 8.360 nan 0.000 0.466 162 I N -0.205 120.274 120.570 -0.153 0.000 2.270 162 I HA -0.137 4.033 4.170 0.000 0.000 0.239 162 I C 2.155 178.138 176.117 -0.223 0.000 1.080 162 I CA 0.520 61.678 61.300 -0.236 0.000 1.383 162 I CB -0.699 37.037 38.000 -0.440 0.000 1.097 162 I HN -0.021 nan 8.210 nan 0.000 0.420 163 F N 2.138 121.891 119.950 -0.329 0.000 2.126 163 F HA -0.263 4.264 4.527 0.001 0.000 0.299 163 F C 2.196 177.868 175.800 -0.213 0.000 1.096 163 F CA 1.681 59.508 58.000 -0.288 0.000 1.255 163 F CB -0.397 38.461 39.000 -0.237 0.000 0.997 163 F HN 0.134 nan 8.300 nan 0.000 0.479 164 N N 0.544 119.114 118.700 -0.217 0.000 2.573 164 N HA -0.059 4.681 4.740 0.000 0.000 0.187 164 N C 1.742 176.870 175.510 -0.636 0.000 1.107 164 N CA 0.925 53.607 53.050 -0.613 0.000 0.918 164 N CB -0.513 37.679 38.487 -0.493 0.000 0.966 164 N HN 0.426 nan 8.380 nan 0.000 0.448 165 A N 0.176 122.747 122.820 -0.416 0.000 2.067 165 A HA 0.029 4.349 4.320 0.000 0.000 0.217 165 A C 0.690 178.060 177.584 -0.357 0.000 1.156 165 A CA 0.087 51.923 52.037 -0.335 0.000 0.683 165 A CB -0.119 18.733 19.000 -0.246 0.000 0.808 165 A HN 0.086 nan 8.150 nan 0.000 0.455 166 L N 0.490 121.459 121.223 -0.423 0.000 2.534 166 L HA 0.146 4.486 4.340 0.000 0.000 0.271 166 L C -1.489 175.141 176.870 -0.400 0.000 1.178 166 L CA -1.385 53.204 54.840 -0.419 0.000 0.907 166 L CB 0.513 42.282 42.059 -0.482 0.000 1.164 166 L HN 0.047 nan 8.230 nan 0.000 0.482 167 P HA -0.101 nan 4.420 nan 0.000 0.221 167 P C 1.097 178.101 177.300 -0.493 0.000 1.145 167 P CA 1.082 63.792 63.100 -0.651 0.000 0.795 167 P CB 0.343 31.253 31.700 -1.316 0.000 0.775 168 T N -2.253 111.973 114.554 -0.546 0.000 3.129 168 T HA 0.085 4.435 4.350 0.000 0.000 0.267 168 T C 1.159 175.664 174.700 -0.326 0.000 1.018 168 T CA -0.497 61.248 62.100 -0.591 0.000 0.903 168 T CB -0.628 67.555 68.868 -1.141 0.000 1.067 168 T HN 0.123 nan 8.240 nan 0.000 0.549 169 Y N 1.741 121.838 120.300 -0.339 0.000 2.193 169 Y HA -0.209 4.341 4.550 0.000 0.000 0.285 169 Y C 1.943 177.922 175.900 0.131 0.000 1.166 169 Y CA 1.874 59.823 58.100 -0.252 0.000 1.181 169 Y CB -0.521 37.677 38.460 -0.436 0.000 0.976 169 Y HN 0.248 nan 8.280 nan 0.000 0.520 170 D N -0.333 119.474 120.400 -0.988 0.000 2.144 170 D HA -0.147 4.493 4.640 0.000 0.000 0.200 170 D C 1.700 177.892 176.300 -0.179 0.000 0.978 170 D CA 1.774 55.394 54.000 -0.633 0.000 0.833 170 D CB -1.050 39.341 40.800 -0.683 0.000 0.961 170 D HN 0.478 nan 8.370 nan 0.000 0.470 171 T N 1.110 115.588 114.554 -0.127 0.000 2.708 171 T HA -0.083 4.268 4.350 0.000 0.000 0.266 171 T C 1.908 176.695 174.700 0.144 0.000 1.037 171 T CA 0.553 62.661 62.100 0.014 0.000 1.146 171 T CB -0.266 68.713 68.868 0.184 0.000 0.865 171 T HN 0.002 nan 8.240 nan 0.000 0.435 172 L N 0.723 122.118 121.223 0.286 0.000 2.013 172 L HA -0.068 4.272 4.340 0.000 0.000 0.212 172 L C 2.328 179.456 176.870 0.430 0.000 1.073 172 L CA 1.464 56.578 54.840 0.456 0.000 0.753 172 L CB -1.392 41.043 42.059 0.627 0.000 0.890 172 L HN 0.209 nan 8.230 nan 0.000 0.432 173 L N -0.590 120.903 121.223 0.449 0.000 2.017 173 L HA -0.201 4.139 4.340 0.000 0.000 0.208 173 L C 2.550 179.618 176.870 0.331 0.000 1.073 173 L CA 1.486 56.593 54.840 0.445 0.000 0.745 173 L CB -1.012 41.315 42.059 0.447 0.000 0.894 173 L HN 0.362 nan 8.230 nan 0.000 0.432 174 E N -1.020 119.242 120.200 0.103 0.000 2.070 174 E HA -0.287 4.064 4.350 0.000 0.000 0.197 174 E C 2.165 178.721 176.600 -0.073 0.000 1.004 174 E CA 1.625 57.890 56.400 -0.226 0.000 0.805 174 E CB -0.119 29.286 29.700 -0.491 0.000 0.744 174 E HN 0.590 nan 8.360 nan 0.000 0.451 175 Q N 0.083 119.864 119.800 -0.031 0.000 2.172 175 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 175 Q C 2.299 178.348 176.000 0.082 0.000 0.964 175 Q CA 0.633 56.420 55.803 -0.026 0.000 0.855 175 Q CB 0.021 28.736 28.738 -0.038 0.000 0.918 175 Q HN 0.294 nan 8.270 nan 0.000 0.444 176 L N -0.157 121.164 121.223 0.162 0.000 2.187 176 L HA -0.213 4.128 4.340 0.000 0.000 0.213 176 L C 1.978 178.902 176.870 0.090 0.000 1.100 176 L CA 0.559 55.497 54.840 0.164 0.000 0.765 176 L CB -0.222 41.907 42.059 0.116 0.000 0.904 176 L HN 0.368 nan 8.230 nan 0.000 0.437 177 C N -0.429 118.895 119.300 0.041 0.000 2.539 177 C HA -0.046 4.414 4.460 0.000 0.000 0.271 177 C C 1.906 176.943 174.990 0.077 0.000 1.412 177 C CA -0.119 58.847 59.018 -0.085 0.000 1.729 177 C CB -1.004 26.821 27.740 0.142 0.000 1.739 177 C HN 0.480 nan 8.230 nan 0.000 0.570 178 D N -0.501 119.926 120.400 0.045 0.000 2.347 178 D HA 0.027 4.667 4.640 0.000 0.000 0.213 178 D C 0.290 176.543 176.300 -0.078 0.000 0.985 178 D CA 0.577 54.570 54.000 -0.012 0.000 0.879 178 D CB -0.030 40.731 40.800 -0.064 0.000 0.919 178 D HN 0.471 nan 8.370 nan 0.000 0.526 179 Y N 1.374 121.722 120.300 0.080 0.000 2.336 179 Y HA 0.036 4.587 4.550 0.000 0.000 0.331 179 Y C 1.684 177.689 175.900 0.174 0.000 1.211 179 Y CA -0.230 57.944 58.100 0.124 0.000 1.346 179 Y CB 0.820 39.354 38.460 0.122 0.000 1.271 179 Y HN -0.205 nan 8.280 nan 0.000 0.538 180 D N 1.163 121.757 120.400 0.323 0.000 2.194 180 D HA -0.030 4.610 4.640 0.000 0.000 0.204 180 D C -0.235 176.224 176.300 0.264 0.000 0.964 180 D CA 1.230 55.381 54.000 0.252 0.000 0.846 180 D CB 0.361 41.249 40.800 0.148 0.000 0.962 180 D HN 0.241 nan 8.370 nan 0.000 0.490 181 L N 0.746 122.117 121.223 0.247 0.000 2.455 181 L HA 0.313 4.654 4.340 0.000 0.000 0.264 181 L C -2.010 174.978 176.870 0.197 0.000 0.968 181 L CA -0.613 54.326 54.840 0.164 0.000 0.827 181 L CB 2.151 44.145 42.059 -0.109 0.000 1.317 181 L HN -0.304 nan 8.230 nan 0.000 0.407 182 L N 4.588 125.937 121.223 0.210 0.000 2.349 182 L HA 0.733 5.074 4.340 0.000 0.000 0.278 182 L C 0.421 177.327 176.870 0.059 0.000 0.996 182 L CA -0.332 54.538 54.840 0.050 0.000 0.825 182 L CB 0.966 42.943 42.059 -0.136 0.000 1.243 182 L HN 0.792 nan 8.230 nan 0.000 0.412 183 G N 2.351 111.211 108.800 0.099 0.000 2.389 183 G HA2 0.710 4.671 3.960 0.000 0.000 0.328 183 G HA3 0.710 4.671 3.960 0.000 0.000 0.328 183 G C -1.248 173.409 174.900 -0.405 0.000 1.133 183 G CA -0.176 45.164 45.100 0.401 0.000 0.891 183 G HN 0.289 nan 8.290 nan 0.000 0.485 184 F N -0.758 119.303 119.950 0.185 0.000 2.603 184 F HA 0.363 4.891 4.527 0.000 0.000 0.317 184 F C 1.387 177.279 175.800 0.155 0.000 1.066 184 F CA -0.939 57.032 58.000 -0.048 0.000 0.941 184 F CB 2.288 41.305 39.000 0.027 0.000 1.291 184 F HN 0.299 nan 8.300 nan 0.000 0.472 185 Q N 0.170 120.146 119.800 0.294 0.000 2.119 185 Q HA -0.015 4.326 4.340 0.000 0.000 0.201 185 Q C 0.558 176.745 176.000 0.310 0.000 0.972 185 Q CA 1.463 57.492 55.803 0.378 0.000 0.847 185 Q CB -0.118 28.793 28.738 0.289 0.000 0.903 185 Q HN 0.808 nan 8.270 nan 0.000 0.433 186 T N -3.886 110.819 114.554 0.251 0.000 2.883 186 T HA 0.327 4.678 4.350 0.000 0.000 0.301 186 T C 0.539 175.306 174.700 0.111 0.000 1.158 186 T CA -0.682 61.518 62.100 0.167 0.000 1.007 186 T CB 2.225 71.171 68.868 0.131 0.000 1.186 186 T HN -0.115 nan 8.240 nan 0.000 0.499 187 E N 1.180 121.422 120.200 0.069 0.000 2.118 187 E HA -0.164 4.187 4.350 0.000 0.000 0.195 187 E C 1.622 178.207 176.600 -0.025 0.000 0.992 187 E CA 1.832 58.242 56.400 0.018 0.000 0.804 187 E CB -0.335 29.376 29.700 0.018 0.000 0.741 187 E HN 0.609 nan 8.360 nan 0.000 0.458 188 N N 0.984 119.688 118.700 0.006 0.000 2.149 188 N HA -0.141 4.600 4.740 0.000 0.000 0.188 188 N C 1.147 176.643 175.510 -0.024 0.000 1.019 188 N CA 1.444 54.496 53.050 0.002 0.000 0.857 188 N CB -0.346 38.165 38.487 0.040 0.000 0.997 188 N HN 0.306 nan 8.380 nan 0.000 0.426 189 D N 0.289 120.685 120.400 -0.008 0.000 2.097 189 D HA -0.151 4.489 4.640 0.000 0.000 0.195 189 D C 1.959 177.964 176.300 -0.491 0.000 0.989 189 D CA 0.765 54.741 54.000 -0.039 0.000 0.827 189 D CB -0.173 40.725 40.800 0.165 0.000 0.966 189 D HN 0.288 nan 8.370 nan 0.000 0.456 190 R N 0.145 120.249 120.500 -0.661 0.000 2.081 190 R HA -0.135 4.205 4.340 0.000 0.000 0.235 190 R C 2.168 178.154 176.300 -0.522 0.000 1.131 190 R CA 0.785 56.271 56.100 -1.024 0.000 0.960 190 R CB -0.157 29.895 30.300 -0.413 0.000 0.856 190 R HN 0.059 nan 8.270 nan 0.000 0.436 191 L N 0.448 121.501 121.223 -0.283 0.000 2.056 191 L HA -0.016 4.324 4.340 0.000 0.000 0.207 191 L C 2.464 179.219 176.870 -0.193 0.000 1.078 191 L CA 1.914 56.646 54.840 -0.180 0.000 0.749 191 L CB -1.125 40.876 42.059 -0.097 0.000 0.901 191 L HN 0.240 nan 8.230 nan 0.000 0.433 192 A N -0.953 121.768 122.820 -0.165 0.000 1.908 192 A HA -0.296 4.024 4.320 0.000 0.000 0.218 192 A C 2.284 179.727 177.584 -0.235 0.000 1.181 192 A CA 1.864 53.849 52.037 -0.087 0.000 0.627 192 A CB -1.013 18.037 19.000 0.084 0.000 0.818 192 A HN 0.413 nan 8.150 nan 0.000 0.445 193 F N 0.353 119.841 119.950 -0.770 0.000 2.102 193 F HA -0.153 4.374 4.527 0.000 0.000 0.298 193 F C 1.777 177.248 175.800 -0.548 0.000 1.105 193 F CA 1.511 58.823 58.000 -1.146 0.000 1.239 193 F CB -0.370 37.838 39.000 -1.321 0.000 0.991 193 F HN 0.128 nan 8.300 nan 0.000 0.474 194 L N 0.741 121.579 121.223 -0.642 0.000 2.046 194 L HA -0.201 4.139 4.340 0.000 0.000 0.208 194 L C 2.147 178.778 176.870 -0.398 0.000 1.077 194 L CA 1.735 56.231 54.840 -0.572 0.000 0.747 194 L CB -1.670 40.202 42.059 -0.312 0.000 0.896 194 L HN 0.135 nan 8.230 nan 0.000 0.432 195 D N -1.097 119.137 120.400 -0.276 0.000 2.092 195 D HA -0.186 4.455 4.640 0.000 0.000 0.193 195 D C 2.354 178.560 176.300 -0.157 0.000 0.994 195 D CA 1.514 55.411 54.000 -0.172 0.000 0.828 195 D CB -0.329 40.407 40.800 -0.107 0.000 0.963 195 D HN 0.308 nan 8.370 nan 0.000 0.450 196 C N 0.064 119.260 119.300 -0.174 0.000 2.413 196 C HA -0.096 4.365 4.460 0.000 0.000 0.276 196 C C 2.659 177.599 174.990 -0.084 0.000 1.248 196 C CA 0.075 59.056 59.018 -0.061 0.000 1.742 196 C CB -0.979 26.733 27.740 -0.048 0.000 2.017 196 C HN 0.332 nan 8.230 nan 0.000 0.481 197 L N 1.011 122.041 121.223 -0.322 0.000 2.046 197 L HA -0.089 4.251 4.340 0.000 0.000 0.208 197 L C 2.560 179.300 176.870 -0.217 0.000 1.077 197 L CA 1.874 56.527 54.840 -0.312 0.000 0.747 197 L CB -0.806 40.881 42.059 -0.619 0.000 0.896 197 L HN 0.221 nan 8.230 nan 0.000 0.432 198 S N -0.141 115.434 115.700 -0.209 0.000 2.382 198 S HA -0.149 4.322 4.470 0.000 0.000 0.228 198 S C 1.713 176.262 174.600 -0.085 0.000 1.027 198 S CA 1.186 59.297 58.200 -0.147 0.000 0.991 198 S CB -0.449 62.674 63.200 -0.129 0.000 0.823 198 S HN 0.542 nan 8.310 nan 0.000 0.469 199 N N 1.412 120.089 118.700 -0.040 0.000 2.223 199 N HA 0.009 4.750 4.740 0.000 0.000 0.185 199 N C 1.560 177.102 175.510 0.054 0.000 1.016 199 N CA 0.698 53.757 53.050 0.015 0.000 0.863 199 N CB -0.360 38.157 38.487 0.050 0.000 0.983 199 N HN 0.335 nan 8.380 nan 0.000 0.429 200 L N -0.984 120.284 121.223 0.074 0.000 2.162 200 L HA 0.045 4.385 4.340 0.000 0.000 0.205 200 L C 0.487 177.374 176.870 0.029 0.000 1.086 200 L CA 0.903 55.820 54.840 0.127 0.000 0.778 200 L CB 0.226 42.414 42.059 0.215 0.000 0.928 200 L HN 0.112 nan 8.230 nan 0.000 0.446 201 T N -1.602 112.873 114.554 -0.132 0.000 2.821 201 T HA 0.234 4.584 4.350 0.000 0.000 0.306 201 T C -0.953 173.583 174.700 -0.273 0.000 1.313 201 T CA -0.706 61.228 62.100 -0.277 0.000 1.012 201 T CB 1.747 70.169 68.868 -0.743 0.000 1.298 201 T HN 0.143 nan 8.240 nan 0.000 0.502 202 R N 2.106 122.461 120.500 -0.242 0.000 2.404 202 R HA 0.491 4.831 4.340 0.000 0.000 0.315 202 R C -0.315 175.853 176.300 -0.219 0.000 1.032 202 R CA -0.250 55.742 56.100 -0.181 0.000 0.992 202 R CB -0.119 30.107 30.300 -0.124 0.000 0.959 202 R HN 0.411 nan 8.270 nan 0.000 0.428 203 V N 2.838 122.651 119.914 -0.169 0.000 2.459 203 V HA 0.487 4.608 4.120 0.000 0.000 0.295 203 V C -0.583 175.466 176.094 -0.076 0.000 1.029 203 V CA -0.431 61.791 62.300 -0.131 0.000 0.874 203 V CB 2.014 33.762 31.823 -0.125 0.000 0.985 203 V HN 0.820 nan 8.190 nan 0.000 0.438 204 T N 4.805 119.322 114.554 -0.061 0.000 2.743 204 T HA 0.483 4.833 4.350 0.000 0.000 0.293 204 T C 0.071 174.741 174.700 -0.050 0.000 0.945 204 T CA -0.014 62.054 62.100 -0.053 0.000 1.030 204 T CB 0.856 69.691 68.868 -0.054 0.000 0.912 204 T HN 0.908 nan 8.240 nan 0.000 0.483 205 T N 4.004 118.529 114.554 -0.047 0.000 2.792 205 T HA 0.480 4.830 4.350 0.000 0.000 0.280 205 T C -0.013 174.611 174.700 -0.126 0.000 0.990 205 T CA -0.691 61.358 62.100 -0.085 0.000 0.960 205 T CB 1.218 70.090 68.868 0.007 0.000 0.939 205 T HN 0.362 nan 8.240 nan 0.000 0.439 206 R N 2.508 122.894 120.500 -0.190 0.000 2.338 206 R HA 0.644 4.984 4.340 0.000 0.000 0.317 206 R C 0.435 176.629 176.300 -0.177 0.000 0.968 206 R CA 0.098 56.106 56.100 -0.154 0.000 0.849 206 R CB 0.605 30.819 30.300 -0.143 0.000 1.128 206 R HN 0.926 nan 8.270 nan 0.000 0.448 207 S N 1.827 117.455 115.700 -0.119 0.000 4.064 207 S HA -0.332 4.138 4.470 0.000 0.000 0.625 207 S C 0.682 175.222 174.600 -0.100 0.000 2.010 207 S CA 0.692 58.831 58.200 -0.100 0.000 4.186 207 S CB -1.354 61.784 63.200 -0.102 0.000 0.211 207 S HN 0.800 nan 8.310 nan 0.000 0.605 208 A N 0.197 122.961 122.820 -0.094 0.000 2.469 208 A HA 0.490 4.810 4.320 0.000 0.000 0.245 208 A C 1.071 178.628 177.584 -0.045 0.000 1.221 208 A CA 0.525 52.528 52.037 -0.056 0.000 0.946 208 A CB 0.194 19.183 19.000 -0.017 0.000 1.049 208 A HN 0.471 nan 8.150 nan 0.000 0.529 209 K N -0.932 119.347 120.400 -0.202 0.000 2.585 209 K HA 0.222 4.542 4.320 0.000 0.000 0.210 209 K C -0.347 176.014 176.600 -0.398 0.000 1.294 209 K CA 0.163 56.374 56.287 -0.126 0.000 1.025 209 K CB 1.024 33.514 32.500 -0.017 0.000 1.076 209 K HN 0.147 nan 8.250 nan 0.000 0.613 210 S N 1.049 116.285 115.700 -0.773 0.000 2.532 210 S HA 0.452 4.923 4.470 0.000 0.000 0.299 210 S C -1.383 172.658 174.600 -0.932 0.000 1.105 210 S CA -0.593 57.206 58.200 -0.669 0.000 1.018 210 S CB 0.621 63.628 63.200 -0.321 0.000 1.021 210 S HN 0.197 nan 8.310 nan 0.000 0.483 211 H N 1.447 120.264 119.070 -0.421 0.000 2.980 211 H HA 0.504 5.060 4.556 0.000 0.000 0.367 211 H C -1.017 173.998 175.328 -0.522 0.000 1.206 211 H CA -0.708 55.002 56.048 -0.564 0.000 1.126 211 H CB 1.892 31.082 29.762 -0.953 0.000 1.838 211 H HN 0.459 nan 8.280 nan 0.000 0.552 212 T N 1.098 115.554 114.554 -0.164 0.000 2.886 212 T HA 0.686 5.036 4.350 0.000 0.000 0.292 212 T C -0.746 173.984 174.700 0.051 0.000 1.012 212 T CA -0.691 61.395 62.100 -0.024 0.000 0.982 212 T CB 1.819 70.679 68.868 -0.012 0.000 1.018 212 T HN 0.765 nan 8.240 nan 0.000 0.451 213 A N 1.910 124.847 122.820 0.194 0.000 2.488 213 A HA 0.629 4.949 4.320 0.000 0.000 0.298 213 A C -0.466 177.240 177.584 0.203 0.000 1.044 213 A CA -0.754 51.299 52.037 0.027 0.000 0.693 213 A CB 0.745 19.724 19.000 -0.036 0.000 1.272 213 A HN 0.929 nan 8.150 nan 0.000 0.402 214 W N 1.594 122.958 121.300 0.107 0.000 5.400 214 W HA -0.274 4.386 4.660 0.000 0.000 0.357 214 W C 1.311 177.881 176.519 0.084 0.000 1.291 214 W CA 1.814 59.210 57.345 0.084 0.000 0.911 214 W CB -1.745 27.764 29.460 0.081 0.000 2.382 214 W HN 2.419 nan 8.180 nan 0.000 1.557 215 G N -0.597 108.338 108.800 0.227 0.000 2.184 215 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 215 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 215 G C 0.474 175.491 174.900 0.195 0.000 0.975 215 G CA 0.809 46.013 45.100 0.172 0.000 0.642 215 G HN 0.307 nan 8.290 nan 0.000 0.536 216 K N 0.612 121.182 120.400 0.282 0.000 2.201 216 K HA 0.679 4.999 4.320 0.000 0.000 0.278 216 K C 0.327 177.129 176.600 0.337 0.000 1.027 216 K CA 0.172 56.641 56.287 0.304 0.000 0.909 216 K CB 1.718 34.442 32.500 0.374 0.000 1.062 216 K HN 0.452 nan 8.250 nan 0.000 0.465 217 A N 3.495 126.475 122.820 0.267 0.000 2.305 217 A HA 0.775 5.096 4.320 0.000 0.000 0.322 217 A C -0.763 177.014 177.584 0.322 0.000 1.187 217 A CA -0.601 51.548 52.037 0.188 0.000 0.825 217 A CB 0.004 19.055 19.000 0.086 0.000 1.164 217 A HN 0.713 nan 8.150 nan 0.000 0.498 218 F N -0.344 119.715 119.950 0.182 0.000 2.713 218 F HA 0.790 5.317 4.527 0.000 0.000 0.311 218 F C -0.777 175.174 175.800 0.251 0.000 1.141 218 F CA -1.174 56.953 58.000 0.212 0.000 0.939 218 F CB 1.267 40.426 39.000 0.266 0.000 1.325 218 F HN 0.543 nan 8.300 nan 0.000 0.453 219 R N 0.610 121.337 120.500 0.379 0.000 2.711 219 R HA 0.768 5.108 4.340 0.000 0.000 0.284 219 R C -1.075 175.507 176.300 0.469 0.000 0.968 219 R CA -0.852 55.420 56.100 0.287 0.000 0.924 219 R CB 2.270 32.640 30.300 0.117 0.000 1.162 219 R HN 0.922 nan 8.270 nan 0.000 0.465 220 T N -1.397 113.439 114.554 0.471 0.000 2.908 220 T HA 0.680 5.031 4.350 0.000 0.000 0.290 220 T C -0.624 174.268 174.700 0.321 0.000 1.034 220 T CA -0.818 61.579 62.100 0.496 0.000 1.010 220 T CB 2.317 71.544 68.868 0.599 0.000 1.068 220 T HN 0.545 nan 8.240 nan 0.000 0.481 221 E N 0.390 120.781 120.200 0.320 0.000 2.409 221 E HA 0.526 4.876 4.350 0.000 0.000 0.280 221 E C -2.000 174.630 176.600 0.049 0.000 1.079 221 E CA -0.761 55.670 56.400 0.052 0.000 0.840 221 E CB 1.907 31.511 29.700 -0.161 0.000 1.309 221 E HN 0.637 nan 8.360 nan 0.000 0.447 222 V N 3.364 123.182 119.914 -0.160 0.000 2.370 222 V HA 0.470 4.590 4.120 0.000 0.000 0.283 222 V C -0.983 175.003 176.094 -0.180 0.000 1.023 222 V CA -0.381 61.927 62.300 0.014 0.000 0.857 222 V CB 0.753 32.618 31.823 0.070 0.000 0.985 222 V HN 0.587 nan 8.190 nan 0.000 0.443 223 Y N 6.076 126.671 120.300 0.491 0.000 2.705 223 Y HA 0.363 4.913 4.550 0.000 0.000 0.355 223 Y C -2.368 173.933 175.900 0.668 0.000 1.039 223 Y CA -2.880 55.527 58.100 0.511 0.000 1.233 223 Y CB 1.334 40.034 38.460 0.400 0.000 1.103 223 Y HN 0.471 nan 8.280 nan 0.000 0.624 224 P HA -0.006 nan 4.420 nan 0.000 0.265 224 P C 0.406 177.869 177.300 0.272 0.000 1.222 224 P CA 0.411 63.754 63.100 0.404 0.000 0.767 224 P CB 1.112 32.973 31.700 0.268 0.000 0.801 225 I N 2.776 123.345 120.570 -0.002 0.000 2.813 225 I HA 0.264 4.434 4.170 0.000 0.000 0.287 225 I C 0.888 176.859 176.117 -0.242 0.000 1.196 225 I CA 0.758 61.696 61.300 -0.603 0.000 1.421 225 I CB 0.470 38.015 38.000 -0.759 0.000 1.365 225 I HN 0.428 nan 8.210 nan 0.000 0.591 226 G N 6.481 115.126 108.800 -0.260 0.000 3.140 226 G HA2 0.672 4.632 3.960 0.000 0.000 0.271 226 G HA3 0.672 4.632 3.960 0.000 0.000 0.271 226 G C -0.866 173.986 174.900 -0.080 0.000 1.370 226 G CA -0.775 44.284 45.100 -0.069 0.000 1.014 226 G HN 0.767 nan 8.290 nan 0.000 0.541 227 I N -3.495 117.069 120.570 -0.010 0.000 3.436 227 I HA 0.714 4.885 4.170 0.000 0.000 0.300 227 I C -0.559 175.575 176.117 0.030 0.000 1.131 227 I CA -1.080 60.222 61.300 0.004 0.000 1.001 227 I CB 2.402 40.417 38.000 0.027 0.000 1.305 227 I HN 0.404 nan 8.210 nan 0.000 0.494 228 E N 1.746 121.967 120.200 0.035 0.000 2.167 228 E HA 0.335 4.685 4.350 0.000 0.000 0.247 228 E C -2.061 174.564 176.600 0.041 0.000 0.961 228 E CA -2.046 54.380 56.400 0.043 0.000 0.797 228 E CB 0.964 30.690 29.700 0.044 0.000 1.182 228 E HN 0.422 nan 8.360 nan 0.000 0.437 229 P HA -0.095 nan 4.420 nan 0.000 0.218 229 P C 0.758 178.079 177.300 0.034 0.000 1.152 229 P CA 0.913 64.035 63.100 0.035 0.000 0.826 229 P CB 0.366 32.082 31.700 0.026 0.000 0.790 230 K N -0.212 120.208 120.400 0.032 0.000 2.097 230 K HA -0.160 4.160 4.320 0.000 0.000 0.205 230 K C 2.176 178.794 176.600 0.029 0.000 1.050 230 K CA 1.247 57.552 56.287 0.029 0.000 0.938 230 K CB -0.282 32.234 32.500 0.027 0.000 0.718 230 K HN 0.018 nan 8.250 nan 0.000 0.442 231 E N 1.416 121.636 120.200 0.032 0.000 2.153 231 E HA -0.139 4.211 4.350 0.000 0.000 0.194 231 E C 1.590 178.208 176.600 0.030 0.000 0.988 231 E CA 1.183 57.602 56.400 0.031 0.000 0.811 231 E CB -0.138 29.582 29.700 0.034 0.000 0.746 231 E HN 0.262 nan 8.360 nan 0.000 0.466 232 I N 0.213 120.805 120.570 0.036 0.000 2.286 232 I HA -0.199 3.971 4.170 0.000 0.000 0.245 232 I C 2.352 178.489 176.117 0.033 0.000 1.104 232 I CA 0.968 62.293 61.300 0.042 0.000 1.397 232 I CB -0.371 37.665 38.000 0.060 0.000 1.072 232 I HN 0.208 nan 8.210 nan 0.000 0.417 233 A N 0.902 123.740 122.820 0.031 0.000 1.908 233 A HA -0.214 4.107 4.320 0.000 0.000 0.218 233 A C 2.310 179.904 177.584 0.015 0.000 1.181 233 A CA 1.580 53.631 52.037 0.023 0.000 0.627 233 A CB -0.368 18.648 19.000 0.027 0.000 0.818 233 A HN 0.240 nan 8.150 nan 0.000 0.445 234 K N 0.151 120.561 120.400 0.016 0.000 2.001 234 K HA -0.197 4.123 4.320 0.000 0.000 0.208 234 K C 2.282 178.886 176.600 0.007 0.000 1.048 234 K CA 1.685 57.979 56.287 0.012 0.000 0.932 234 K CB -0.690 31.818 32.500 0.014 0.000 0.715 234 K HN 0.914 nan 8.250 nan 0.000 0.437 235 Q N 0.514 120.319 119.800 0.008 0.000 2.170 235 Q HA -0.021 4.319 4.340 0.000 0.000 0.203 235 Q C 1.966 177.962 176.000 -0.008 0.000 0.976 235 Q CA 1.422 57.224 55.803 -0.000 0.000 0.858 235 Q CB -0.311 28.427 28.738 -0.000 0.000 0.907 235 Q HN 0.200 nan 8.270 nan 0.000 0.433 236 A N 1.491 124.308 122.820 -0.004 0.000 1.929 236 A HA 0.150 4.470 4.320 0.000 0.000 0.216 236 A C 2.349 179.928 177.584 -0.007 0.000 1.176 236 A CA 1.245 53.276 52.037 -0.011 0.000 0.628 236 A CB -0.650 18.348 19.000 -0.004 0.000 0.816 236 A HN 0.531 nan 8.150 nan 0.000 0.444 237 A N -0.053 122.766 122.820 -0.002 0.000 2.119 237 A HA 0.385 4.706 4.320 0.000 0.000 0.217 237 A C 1.559 179.143 177.584 -0.000 0.000 1.153 237 A CA 0.793 52.829 52.037 -0.001 0.000 0.692 237 A CB -1.154 17.846 19.000 -0.000 0.000 0.799 237 A HN 0.745 nan 8.150 nan 0.000 0.458 238 G N 0.733 109.532 108.800 -0.001 0.000 2.630 238 G HA2 0.379 4.339 3.960 0.000 0.000 0.236 238 G HA3 0.379 4.339 3.960 0.000 0.000 0.236 238 G C -2.250 172.649 174.900 -0.002 0.000 1.248 238 G CA -0.588 44.510 45.100 -0.003 0.000 0.844 238 G HN 0.274 nan 8.290 nan 0.000 0.588 239 P HA 0.192 nan 4.420 nan 0.000 0.275 239 P C 0.138 177.435 177.300 -0.005 0.000 1.228 239 P CA -0.360 62.736 63.100 -0.006 0.000 0.786 239 P CB 1.042 32.736 31.700 -0.010 0.000 0.927 240 L N 3.481 124.700 121.223 -0.006 0.000 2.452 240 L HA 0.204 4.544 4.340 0.000 0.000 0.267 240 L C -1.670 175.194 176.870 -0.010 0.000 1.188 240 L CA -1.791 53.047 54.840 -0.003 0.000 0.821 240 L CB -0.673 41.380 42.059 -0.010 0.000 1.102 240 L HN 0.253 nan 8.230 nan 0.000 0.470 241 P HA 0.011 nan 4.420 nan 0.000 0.265 241 P C -2.071 175.220 177.300 -0.015 0.000 1.187 241 P CA -0.878 62.214 63.100 -0.014 0.000 0.766 241 P CB 0.005 31.696 31.700 -0.015 0.000 0.820 242 P HA -0.226 nan 4.420 nan 0.000 0.216 242 P C 1.316 178.606 177.300 -0.016 0.000 1.154 242 P CA 1.883 64.973 63.100 -0.017 0.000 0.865 242 P CB -0.062 31.628 31.700 -0.015 0.000 0.789 243 K N -0.806 119.587 120.400 -0.013 0.000 1.987 243 K HA -0.151 4.169 4.320 0.000 0.000 0.216 243 K C 1.852 178.448 176.600 -0.008 0.000 1.051 243 K CA 1.328 57.610 56.287 -0.008 0.000 0.942 243 K CB -0.998 31.499 32.500 -0.005 0.000 0.722 243 K HN 0.090 nan 8.250 nan 0.000 0.444 244 L N 0.544 121.763 121.223 -0.005 0.000 2.275 244 L HA -0.058 4.283 4.340 0.000 0.000 0.215 244 L C 2.414 179.253 176.870 -0.051 0.000 1.119 244 L CA 1.251 56.086 54.840 -0.009 0.000 0.790 244 L CB -1.645 40.427 42.059 0.022 0.000 0.919 244 L HN 0.185 nan 8.230 nan 0.000 0.443 245 A N -0.627 122.165 122.820 -0.045 0.000 1.877 245 A HA -0.266 4.054 4.320 0.000 0.000 0.216 245 A C 2.335 179.881 177.584 -0.063 0.000 1.186 245 A CA 1.646 53.646 52.037 -0.062 0.000 0.620 245 A CB -0.483 18.492 19.000 -0.041 0.000 0.822 245 A HN 0.454 nan 8.150 nan 0.000 0.443 246 Q N -0.961 118.814 119.800 -0.041 0.000 2.084 246 Q HA -0.185 4.156 4.340 0.000 0.000 0.202 246 Q C 2.004 177.982 176.000 -0.036 0.000 0.978 246 Q CA 1.711 57.495 55.803 -0.032 0.000 0.844 246 Q CB -0.251 28.476 28.738 -0.017 0.000 0.898 246 Q HN 0.606 nan 8.270 nan 0.000 0.426 247 L N 0.955 122.156 121.223 -0.037 0.000 2.083 247 L HA -0.176 4.164 4.340 0.000 0.000 0.209 247 L C 2.204 179.024 176.870 -0.083 0.000 1.083 247 L CA 1.785 56.604 54.840 -0.035 0.000 0.752 247 L CB -0.405 41.647 42.059 -0.011 0.000 0.899 247 L HN 0.048 nan 8.230 nan 0.000 0.433 248 K N 0.229 120.537 120.400 -0.153 0.000 2.103 248 K HA -0.080 4.240 4.320 0.000 0.000 0.207 248 K C 1.529 178.033 176.600 -0.160 0.000 1.048 248 K CA 1.263 57.392 56.287 -0.263 0.000 0.930 248 K CB -0.284 32.005 32.500 -0.351 0.000 0.716 248 K HN 0.474 nan 8.250 nan 0.000 0.444 249 A N 1.350 124.112 122.820 -0.097 0.000 2.281 249 A HA -0.005 4.315 4.320 0.000 0.000 0.231 249 A C 0.747 178.313 177.584 -0.030 0.000 1.317 249 A CA 0.424 52.428 52.037 -0.056 0.000 0.959 249 A CB -0.087 18.888 19.000 -0.041 0.000 0.900 249 A HN 0.259 nan 8.150 nan 0.000 0.497 250 E N -1.201 118.982 120.200 -0.029 0.000 2.508 250 E HA 0.101 4.452 4.350 0.000 0.000 0.217 250 E C -0.168 176.441 176.600 0.015 0.000 0.896 250 E CA 0.064 56.465 56.400 0.002 0.000 1.118 250 E CB 0.029 29.737 29.700 0.015 0.000 1.133 250 E HN 0.435 nan 8.360 nan 0.000 0.526 251 L N 1.584 122.806 121.223 -0.002 0.000 2.888 251 L HA 0.199 4.540 4.340 0.000 0.000 0.237 251 L C 1.410 178.301 176.870 0.034 0.000 1.288 251 L CA 0.481 55.339 54.840 0.030 0.000 1.110 251 L CB -0.268 41.812 42.059 0.035 0.000 1.441 251 L HN -0.094 nan 8.230 nan 0.000 0.474 252 K N 0.030 120.443 120.400 0.022 0.000 2.284 252 K HA 0.073 4.394 4.320 0.000 0.000 0.198 252 K C 1.377 177.996 176.600 0.033 0.000 1.048 252 K CA 0.528 56.828 56.287 0.021 0.000 0.987 252 K CB 0.256 32.761 32.500 0.007 0.000 0.800 252 K HN 0.406 nan 8.250 nan 0.000 0.486 253 N N 0.704 119.426 118.700 0.036 0.000 2.336 253 N HA -0.044 4.696 4.740 0.000 0.000 0.177 253 N C 0.676 176.216 175.510 0.050 0.000 1.018 253 N CA 0.335 53.406 53.050 0.035 0.000 0.878 253 N CB -0.269 38.233 38.487 0.026 0.000 0.997 253 N HN -0.163 nan 8.380 nan 0.000 0.433 254 V N 1.932 121.888 119.914 0.071 0.000 2.498 254 V HA 0.129 4.250 4.120 0.000 0.000 0.279 254 V C 0.255 176.418 176.094 0.116 0.000 1.048 254 V CA -0.524 61.836 62.300 0.101 0.000 0.967 254 V CB 1.268 33.172 31.823 0.134 0.000 0.988 254 V HN 0.219 nan 8.190 nan 0.000 0.473 255 Q N 3.595 123.467 119.800 0.119 0.000 2.288 255 Q HA 0.304 4.644 4.340 0.000 0.000 0.254 255 Q C -0.438 175.650 176.000 0.147 0.000 0.932 255 Q CA -0.268 55.608 55.803 0.122 0.000 0.902 255 Q CB 0.871 29.663 28.738 0.089 0.000 1.203 255 Q HN 0.629 nan 8.270 nan 0.000 0.415 256 N N 3.071 121.878 118.700 0.179 0.000 2.425 256 N HA 0.349 5.089 4.740 0.000 0.000 0.268 256 N C -0.870 174.763 175.510 0.205 0.000 0.991 256 N CA -0.192 52.993 53.050 0.226 0.000 0.931 256 N CB 1.221 39.939 38.487 0.386 0.000 1.130 256 N HN 0.425 nan 8.380 nan 0.000 0.493 257 I N 2.505 123.148 120.570 0.121 0.000 2.336 257 I HA 0.359 4.529 4.170 0.000 0.000 0.292 257 I C -0.519 175.659 176.117 0.101 0.000 0.991 257 I CA -0.431 60.908 61.300 0.065 0.000 1.227 257 I CB 0.628 38.577 38.000 -0.085 0.000 1.366 257 I HN 0.250 nan 8.210 nan 0.000 0.466 258 F N 3.449 123.412 119.950 0.020 0.000 2.540 258 F HA 0.529 5.056 4.527 0.000 0.000 0.317 258 F C -0.043 175.793 175.800 0.060 0.000 1.104 258 F CA -0.181 57.856 58.000 0.061 0.000 0.913 258 F CB 2.199 41.237 39.000 0.064 0.000 1.170 258 F HN 0.324 nan 8.300 nan 0.000 0.450 259 S N 2.111 117.959 115.700 0.246 0.000 2.549 259 S HA 0.783 5.253 4.470 0.000 0.000 0.280 259 S C -1.592 173.132 174.600 0.206 0.000 1.109 259 S CA -0.821 57.509 58.200 0.216 0.000 0.905 259 S CB 2.254 65.609 63.200 0.259 0.000 1.081 259 S HN 0.516 nan 8.310 nan 0.000 0.477 260 V N 2.946 122.981 119.914 0.201 0.000 2.777 260 V HA 0.808 4.928 4.120 0.000 0.000 0.306 260 V C -1.946 174.231 176.094 0.139 0.000 1.112 260 V CA -0.208 62.183 62.300 0.151 0.000 0.917 260 V CB 1.492 33.411 31.823 0.160 0.000 1.018 260 V HN 1.065 nan 8.190 nan 0.000 0.426 261 E N 5.039 125.302 120.200 0.106 0.000 2.403 261 E HA 0.380 4.730 4.350 0.000 0.000 0.280 261 E C -1.385 175.271 176.600 0.095 0.000 1.101 261 E CA -1.168 55.297 56.400 0.109 0.000 0.856 261 E CB 1.425 31.191 29.700 0.109 0.000 1.303 261 E HN 0.681 nan 8.360 nan 0.000 0.441 262 R N 0.483 121.039 120.500 0.094 0.000 2.640 262 R HA 0.138 4.478 4.340 0.000 0.000 0.270 262 R C 0.396 176.743 176.300 0.077 0.000 1.024 262 R CA -0.217 55.930 56.100 0.078 0.000 1.085 262 R CB 0.326 30.656 30.300 0.050 0.000 0.963 262 R HN 0.423 nan 8.270 nan 0.000 0.426 263 L N 3.639 124.913 121.223 0.085 0.000 2.451 263 L HA 0.030 4.370 4.340 0.000 0.000 0.272 263 L C -0.382 176.547 176.870 0.100 0.000 1.258 263 L CA 0.286 55.178 54.840 0.088 0.000 1.132 263 L CB -0.308 41.817 42.059 0.109 0.000 1.361 263 L HN 0.537 nan 8.230 nan 0.000 0.438 264 D N 1.503 121.923 120.400 0.032 0.000 2.481 264 D HA 0.055 4.695 4.640 0.000 0.000 0.244 264 D C 0.547 176.732 176.300 -0.190 0.000 1.057 264 D CA -0.498 53.444 54.000 -0.096 0.000 0.848 264 D CB 1.447 42.231 40.800 -0.027 0.000 1.388 264 D HN 0.416 nan 8.370 nan 0.000 0.475 265 Y N 1.328 121.517 120.300 -0.184 0.000 2.483 265 Y HA -0.090 4.460 4.550 0.001 0.000 0.291 265 Y C 1.986 177.860 175.900 -0.044 0.000 1.143 265 Y CA 0.921 58.941 58.100 -0.134 0.000 1.289 265 Y CB -0.554 37.790 38.460 -0.193 0.000 0.983 265 Y HN 0.219 nan 8.280 nan 0.000 0.556 266 S N 0.006 115.660 115.700 -0.076 0.000 2.447 266 S HA -0.091 4.379 4.470 0.000 0.000 0.233 266 S C 1.512 176.147 174.600 0.058 0.000 1.006 266 S CA 0.518 58.736 58.200 0.029 0.000 0.957 266 S CB -0.204 62.916 63.200 -0.133 0.000 0.773 266 S HN 0.386 nan 8.310 nan 0.000 0.507 267 K N 1.071 121.493 120.400 0.037 0.000 2.444 267 K HA 0.210 4.530 4.320 0.000 0.000 0.193 267 K C 1.348 177.957 176.600 0.015 0.000 1.024 267 K CA 0.583 56.897 56.287 0.045 0.000 1.077 267 K CB -0.739 31.791 32.500 0.051 0.000 0.833 267 K HN 0.580 nan 8.250 nan 0.000 0.517 268 G N 2.308 111.105 108.800 -0.006 0.000 2.283 268 G HA2 -0.255 3.705 3.960 0.000 0.000 0.280 268 G HA3 -0.255 3.705 3.960 0.000 0.000 0.280 268 G C 0.743 175.608 174.900 -0.058 0.000 1.029 268 G CA 0.136 45.209 45.100 -0.046 0.000 0.840 268 G HN 0.148 nan 8.290 nan 0.000 0.505 269 L N 0.374 121.542 121.223 -0.091 0.000 2.012 269 L HA -0.004 4.336 4.340 0.000 0.000 0.210 269 L C 0.791 177.452 176.870 -0.348 0.000 1.073 269 L CA 2.561 57.279 54.840 -0.203 0.000 0.748 269 L CB -1.842 40.050 42.059 -0.278 0.000 0.891 269 L HN 0.201 nan 8.230 nan 0.000 0.431 270 P HA -0.170 nan 4.420 nan 0.000 0.216 270 P C 1.427 178.713 177.300 -0.023 0.000 1.153 270 P CA 1.242 64.225 63.100 -0.196 0.000 0.858 270 P CB 0.124 31.756 31.700 -0.113 0.000 0.789 271 E N -1.118 119.068 120.200 -0.023 0.000 2.150 271 E HA -0.143 4.207 4.350 0.000 0.000 0.193 271 E C 2.156 178.796 176.600 0.066 0.000 0.985 271 E CA 0.815 57.222 56.400 0.012 0.000 0.814 271 E CB -0.480 29.182 29.700 -0.063 0.000 0.752 271 E HN 0.117 nan 8.360 nan 0.000 0.466 272 R N -0.489 120.064 120.500 0.089 0.000 2.075 272 R HA -0.111 4.229 4.340 0.000 0.000 0.232 272 R C 1.626 178.128 176.300 0.337 0.000 1.126 272 R CA 1.031 57.225 56.100 0.156 0.000 0.963 272 R CB -0.167 30.236 30.300 0.172 0.000 0.858 272 R HN 0.128 nan 8.270 nan 0.000 0.435 273 F N 1.106 121.131 119.950 0.124 0.000 2.126 273 F HA -0.155 4.372 4.527 0.000 0.000 0.299 273 F C 2.101 177.993 175.800 0.153 0.000 1.096 273 F CA 0.974 59.089 58.000 0.191 0.000 1.255 273 F CB -0.680 38.394 39.000 0.124 0.000 0.997 273 F HN 0.033 nan 8.300 nan 0.000 0.479 274 L N -0.820 120.575 121.223 0.286 0.000 2.083 274 L HA -0.188 4.152 4.340 0.000 0.000 0.209 274 L C 2.632 179.580 176.870 0.130 0.000 1.083 274 L CA 1.080 56.025 54.840 0.175 0.000 0.752 274 L CB -0.970 41.165 42.059 0.126 0.000 0.899 274 L HN 0.111 nan 8.230 nan 0.000 0.433 275 A N -0.739 122.154 122.820 0.121 0.000 1.930 275 A HA -0.278 4.043 4.320 0.000 0.000 0.217 275 A C 2.163 179.791 177.584 0.074 0.000 1.175 275 A CA 1.416 53.497 52.037 0.073 0.000 0.627 275 A CB -0.761 18.260 19.000 0.034 0.000 0.815 275 A HN 0.455 nan 8.150 nan 0.000 0.443 276 Y N 0.506 120.772 120.300 -0.057 0.000 2.263 276 Y HA -0.115 4.436 4.550 0.000 0.000 0.292 276 Y C 2.290 178.142 175.900 -0.081 0.000 1.130 276 Y CA 1.786 59.821 58.100 -0.108 0.000 1.179 276 Y CB -0.247 38.135 38.460 -0.131 0.000 0.998 276 Y HN 0.542 nan 8.280 nan 0.000 0.532 277 E N -0.047 120.123 120.200 -0.049 0.000 2.077 277 E HA -0.205 4.145 4.350 0.000 0.000 0.193 277 E C 2.258 178.748 176.600 -0.183 0.000 0.989 277 E CA 1.085 57.374 56.400 -0.185 0.000 0.800 277 E CB -0.276 29.446 29.700 0.037 0.000 0.746 277 E HN 0.500 nan 8.360 nan 0.000 0.452 278 A N 1.221 124.021 122.820 -0.033 0.000 1.940 278 A HA -0.179 4.142 4.320 0.000 0.000 0.219 278 A C 2.143 179.763 177.584 0.060 0.000 1.176 278 A CA 1.350 53.403 52.037 0.027 0.000 0.631 278 A CB -0.657 18.387 19.000 0.072 0.000 0.814 278 A HN 0.401 nan 8.150 nan 0.000 0.446 279 L N -0.839 120.382 121.223 -0.003 0.000 1.994 279 L HA -0.130 4.210 4.340 0.000 0.000 0.208 279 L C 2.154 179.074 176.870 0.082 0.000 1.071 279 L CA 1.682 56.556 54.840 0.056 0.000 0.745 279 L CB -0.562 41.430 42.059 -0.111 0.000 0.892 279 L HN 0.253 nan 8.230 nan 0.000 0.431 280 L N -0.226 120.870 121.223 -0.212 0.000 2.042 280 L HA -0.211 4.129 4.340 0.000 0.000 0.210 280 L C 2.642 179.533 176.870 0.035 0.000 1.076 280 L CA 1.967 56.693 54.840 -0.190 0.000 0.749 280 L CB -1.302 40.262 42.059 -0.826 0.000 0.893 280 L HN 0.475 nan 8.230 nan 0.000 0.432 281 E N -0.150 120.012 120.200 -0.063 0.000 2.072 281 E HA -0.146 4.205 4.350 0.000 0.000 0.190 281 E C 1.878 178.513 176.600 0.058 0.000 0.982 281 E CA 1.413 57.879 56.400 0.110 0.000 0.803 281 E CB 0.063 29.844 29.700 0.135 0.000 0.755 281 E HN 0.362 nan 8.360 nan 0.000 0.453 282 K N -1.063 119.348 120.400 0.018 0.000 2.353 282 K HA 0.075 4.395 4.320 0.000 0.000 0.195 282 K C -0.327 175.984 176.600 -0.481 0.000 1.031 282 K CA 0.078 56.241 56.287 -0.207 0.000 1.079 282 K CB 0.611 32.956 32.500 -0.257 0.000 0.857 282 K HN 0.171 nan 8.250 nan 0.000 0.535 283 Y N 0.842 121.138 120.300 -0.007 0.000 2.477 283 Y HA 0.185 4.736 4.550 0.000 0.000 0.340 283 Y C -1.950 173.879 175.900 -0.119 0.000 0.987 283 Y CA -1.978 56.105 58.100 -0.029 0.000 1.127 283 Y CB 0.923 39.453 38.460 0.116 0.000 1.139 283 Y HN -0.030 nan 8.280 nan 0.000 0.637 284 P HA -0.239 nan 4.420 nan 0.000 0.223 284 P C 1.186 178.215 177.300 -0.451 0.000 1.144 284 P CA 1.302 64.060 63.100 -0.570 0.000 0.783 284 P CB 0.400 31.821 31.700 -0.466 0.000 0.771 285 Q N -0.535 119.092 119.800 -0.288 0.000 2.291 285 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 285 Q C 1.316 177.161 176.000 -0.257 0.000 0.976 285 Q CA 1.417 57.052 55.803 -0.280 0.000 0.875 285 Q CB -1.312 27.250 28.738 -0.293 0.000 0.927 285 Q HN 0.455 nan 8.270 nan 0.000 0.450 286 H N 0.362 119.428 119.070 -0.007 0.000 2.551 286 H HA 0.152 4.708 4.556 0.000 0.000 0.266 286 H C 0.021 175.342 175.328 -0.012 0.000 0.977 286 H CA -0.001 56.064 56.048 0.028 0.000 1.163 286 H CB -0.181 29.637 29.762 0.093 0.000 1.381 286 H HN 0.485 nan 8.280 nan 0.000 0.581 287 H N 0.212 119.206 119.070 -0.128 0.000 3.034 287 H HA 0.038 4.594 4.556 0.000 0.000 0.324 287 H C 1.297 176.104 175.328 -0.869 0.000 1.015 287 H CA 0.416 56.180 56.048 -0.473 0.000 1.429 287 H CB 0.644 30.304 29.762 -0.170 0.000 1.429 287 H HN 0.519 nan 8.280 nan 0.000 0.585 288 G N 2.947 110.571 108.800 -1.961 0.000 2.220 288 G HA2 -0.369 3.592 3.960 0.000 0.000 0.269 288 G HA3 -0.369 3.592 3.960 0.000 0.000 0.269 288 G C 0.957 175.383 174.900 -0.790 0.000 0.977 288 G CA 0.831 45.005 45.100 -1.543 0.000 0.634 288 G HN 0.644 nan 8.290 nan 0.000 0.539 289 K N -0.219 119.907 120.400 -0.456 0.000 2.374 289 K HA 0.473 4.793 4.320 0.000 0.000 0.202 289 K C 0.945 177.596 176.600 0.085 0.000 1.040 289 K CA 0.610 56.839 56.287 -0.095 0.000 1.085 289 K CB 0.670 33.159 32.500 -0.018 0.000 0.873 289 K HN 0.724 nan 8.250 nan 0.000 0.539 290 I N -2.823 117.880 120.570 0.221 0.000 3.174 290 I HA 0.550 4.720 4.170 0.000 0.000 0.313 290 I C -1.446 174.988 176.117 0.529 0.000 1.155 290 I CA -1.375 60.123 61.300 0.329 0.000 0.977 290 I CB 2.370 40.528 38.000 0.263 0.000 1.248 290 I HN -0.215 nan 8.210 nan 0.000 0.453 291 R N 2.137 122.829 120.500 0.320 0.000 2.566 291 R HA 0.395 4.735 4.340 0.000 0.000 0.271 291 R C -2.415 173.898 176.300 0.022 0.000 1.071 291 R CA -0.601 55.608 56.100 0.181 0.000 0.915 291 R CB 2.360 32.657 30.300 -0.005 0.000 1.228 291 R HN 0.762 nan 8.270 nan 0.000 0.449 292 Y N 2.652 122.743 120.300 -0.348 0.000 2.328 292 Y HA 0.461 5.012 4.550 0.000 0.000 0.337 292 Y C -1.338 174.227 175.900 -0.559 0.000 0.966 292 Y CA -0.566 57.168 58.100 -0.610 0.000 1.136 292 Y CB 1.907 39.600 38.460 -1.278 0.000 1.170 292 Y HN 0.503 nan 8.280 nan 0.000 0.470 293 T N 6.849 120.958 114.554 -0.742 0.000 2.779 293 T HA 0.298 4.648 4.350 0.000 0.000 0.280 293 T C -0.938 173.263 174.700 -0.831 0.000 0.987 293 T CA -0.554 60.985 62.100 -0.934 0.000 0.966 293 T CB 1.076 69.125 68.868 -1.365 0.000 0.933 293 T HN 0.572 nan 8.240 nan 0.000 0.442 294 Q N 3.502 122.922 119.800 -0.633 0.000 2.348 294 Q HA 0.513 4.853 4.340 0.000 0.000 0.265 294 Q C -1.265 174.648 176.000 -0.146 0.000 0.998 294 Q CA -0.409 55.226 55.803 -0.281 0.000 0.831 294 Q CB 0.539 29.225 28.738 -0.086 0.000 1.251 294 Q HN 0.662 nan 8.270 nan 0.000 0.456 295 I N 3.163 123.660 120.570 -0.123 0.000 2.321 295 I HA 0.637 4.807 4.170 0.000 0.000 0.291 295 I C -0.459 175.637 176.117 -0.035 0.000 0.998 295 I CA -0.811 60.387 61.300 -0.170 0.000 1.227 295 I CB 1.468 39.261 38.000 -0.346 0.000 1.368 295 I HN 0.766 nan 8.210 nan 0.000 0.466 296 A N 9.152 131.963 122.820 -0.014 0.000 2.984 296 A HA 0.524 4.844 4.320 0.000 0.000 0.320 296 A C -2.687 174.933 177.584 0.059 0.000 1.142 296 A CA -1.262 50.818 52.037 0.072 0.000 0.772 296 A CB 0.320 19.436 19.000 0.194 0.000 1.195 296 A HN 0.353 nan 8.150 nan 0.000 0.459 297 P HA 0.138 nan 4.420 nan 0.000 0.271 297 P C 0.179 177.524 177.300 0.075 0.000 1.216 297 P CA 0.497 63.650 63.100 0.089 0.000 0.776 297 P CB 0.624 32.413 31.700 0.148 0.000 0.881 298 T N 1.972 116.561 114.554 0.059 0.000 2.908 298 T HA 0.151 4.501 4.350 0.000 0.000 0.301 298 T C 0.534 175.241 174.700 0.012 0.000 1.019 298 T CA 0.747 62.874 62.100 0.045 0.000 1.152 298 T CB -0.204 68.684 68.868 0.033 0.000 0.966 298 T HN 0.386 nan 8.240 nan 0.000 0.540 299 S N 2.831 118.521 115.700 -0.016 0.000 2.532 299 S HA 0.460 4.930 4.470 0.000 0.000 0.299 299 S C -0.041 174.367 174.600 -0.320 0.000 1.105 299 S CA -0.897 57.227 58.200 -0.126 0.000 1.018 299 S CB 0.408 63.535 63.200 -0.123 0.000 1.021 299 S HN 0.760 nan 8.310 nan 0.000 0.483 300 R N 2.294 122.604 120.500 -0.316 0.000 3.336 300 R HA -0.154 4.186 4.340 0.000 0.000 0.260 300 R C 1.149 177.268 176.300 -0.300 0.000 1.032 300 R CA 0.672 56.509 56.100 -0.438 0.000 0.693 300 R CB -2.075 27.591 30.300 -1.056 0.000 1.134 300 R HN 0.813 nan 8.270 nan 0.000 0.433 301 G N 0.045 108.780 108.800 -0.108 0.000 2.586 301 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 301 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 301 G C 0.749 175.661 174.900 0.019 0.000 1.128 301 G CA 0.714 45.804 45.100 -0.016 0.000 0.774 301 G HN 0.372 nan 8.290 nan 0.000 0.543 302 D N -0.189 120.219 120.400 0.014 0.000 2.339 302 D HA 0.099 4.739 4.640 0.000 0.000 0.217 302 D C 0.563 176.897 176.300 0.057 0.000 1.050 302 D CA 0.093 54.120 54.000 0.044 0.000 0.856 302 D CB 0.953 41.788 40.800 0.057 0.000 0.922 302 D HN 0.080 nan 8.370 nan 0.000 0.518 303 V N 1.831 121.782 119.914 0.062 0.000 2.439 303 V HA 0.028 4.148 4.120 0.000 0.000 0.282 303 V C 1.411 177.609 176.094 0.175 0.000 1.039 303 V CA -0.420 61.955 62.300 0.126 0.000 0.913 303 V CB 1.961 33.886 31.823 0.169 0.000 0.983 303 V HN -0.158 nan 8.190 nan 0.000 0.460 304 Q N 5.309 125.185 119.800 0.127 0.000 2.077 304 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 304 Q C 2.120 178.182 176.000 0.104 0.000 0.989 304 Q CA 2.590 58.454 55.803 0.102 0.000 0.853 304 Q CB -0.487 28.293 28.738 0.069 0.000 0.907 304 Q HN 0.931 nan 8.270 nan 0.000 0.418 305 A N -0.940 121.941 122.820 0.103 0.000 1.948 305 A HA -0.222 4.098 4.320 0.000 0.000 0.220 305 A C 1.898 179.514 177.584 0.053 0.000 1.177 305 A CA 1.783 53.833 52.037 0.020 0.000 0.636 305 A CB -0.972 17.995 19.000 -0.056 0.000 0.815 305 A HN 0.591 nan 8.150 nan 0.000 0.449 306 Y N -0.383 119.988 120.300 0.118 0.000 2.286 306 Y HA -0.131 4.419 4.550 0.000 0.000 0.293 306 Y C 2.748 178.639 175.900 -0.016 0.000 1.124 306 Y CA 1.618 59.759 58.100 0.070 0.000 1.178 306 Y CB -0.277 38.187 38.460 0.007 0.000 1.010 306 Y HN 0.406 nan 8.280 nan 0.000 0.536 307 Q N 0.015 119.879 119.800 0.106 0.000 2.084 307 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 307 Q C 1.535 177.449 176.000 -0.143 0.000 0.978 307 Q CA 1.582 57.348 55.803 -0.062 0.000 0.844 307 Q CB -0.144 28.606 28.738 0.019 0.000 0.898 307 Q HN 0.434 nan 8.270 nan 0.000 0.426 308 D N 0.700 121.104 120.400 0.007 0.000 2.092 308 D HA -0.164 4.476 4.640 0.000 0.000 0.193 308 D C 1.755 178.055 176.300 -0.000 0.000 0.994 308 D CA 0.918 54.943 54.000 0.042 0.000 0.828 308 D CB -0.196 40.617 40.800 0.022 0.000 0.963 308 D HN 0.137 nan 8.370 nan 0.000 0.450 309 I N 0.631 121.187 120.570 -0.023 0.000 2.394 309 I HA -0.168 4.003 4.170 0.000 0.000 0.251 309 I C 2.274 178.354 176.117 -0.062 0.000 1.136 309 I CA 0.994 62.275 61.300 -0.032 0.000 1.425 309 I CB -0.051 37.945 38.000 -0.007 0.000 1.079 309 I HN -0.139 nan 8.210 nan 0.000 0.425 310 R N -0.661 119.786 120.500 -0.088 0.000 2.081 310 R HA -0.209 4.131 4.340 0.000 0.000 0.235 310 R C 2.348 178.589 176.300 -0.098 0.000 1.131 310 R CA 1.581 57.617 56.100 -0.107 0.000 0.960 310 R CB -0.368 29.847 30.300 -0.141 0.000 0.856 310 R HN 0.445 nan 8.270 nan 0.000 0.436 311 H N 0.564 119.640 119.070 0.010 0.000 2.353 311 H HA -0.092 4.465 4.556 0.000 0.000 0.300 311 H C 2.093 177.402 175.328 -0.032 0.000 1.090 311 H CA 1.556 57.603 56.048 -0.002 0.000 1.327 311 H CB -0.237 29.532 29.762 0.010 0.000 1.383 311 H HN 0.421 nan 8.280 nan 0.000 0.508 312 Q N -0.173 119.666 119.800 0.064 0.000 2.061 312 Q HA -0.136 4.205 4.340 0.000 0.000 0.204 312 Q C 2.439 178.394 176.000 -0.075 0.000 0.984 312 Q CA 1.144 56.944 55.803 -0.004 0.000 0.846 312 Q CB -0.209 28.512 28.738 -0.029 0.000 0.902 312 Q HN 0.183 nan 8.270 nan 0.000 0.421 313 L N 1.298 122.425 121.223 -0.161 0.000 2.012 313 L HA -0.205 4.135 4.340 0.000 0.000 0.210 313 L C 1.952 178.631 176.870 -0.319 0.000 1.073 313 L CA 1.828 56.461 54.840 -0.345 0.000 0.748 313 L CB -0.335 41.456 42.059 -0.447 0.000 0.891 313 L HN 0.176 nan 8.230 nan 0.000 0.431 314 E N -0.889 119.177 120.200 -0.223 0.000 2.085 314 E HA -0.290 4.060 4.350 0.000 0.000 0.194 314 E C 1.967 178.545 176.600 -0.038 0.000 0.994 314 E CA 1.481 57.801 56.400 -0.133 0.000 0.801 314 E CB -0.223 29.507 29.700 0.050 0.000 0.743 314 E HN 0.581 nan 8.360 nan 0.000 0.453 315 N N 0.475 119.172 118.700 -0.004 0.000 2.084 315 N HA -0.192 4.548 4.740 0.000 0.000 0.190 315 N C 1.735 177.266 175.510 0.036 0.000 1.030 315 N CA 1.244 54.305 53.050 0.019 0.000 0.849 315 N CB 0.159 38.660 38.487 0.022 0.000 1.012 315 N HN 0.025 nan 8.380 nan 0.000 0.423 316 E N 0.165 120.396 120.200 0.052 0.000 2.110 316 E HA -0.116 4.234 4.350 0.000 0.000 0.193 316 E C 1.957 178.671 176.600 0.189 0.000 0.988 316 E CA 1.001 57.488 56.400 0.145 0.000 0.804 316 E CB -0.553 29.270 29.700 0.206 0.000 0.745 316 E HN 0.525 nan 8.360 nan 0.000 0.458 317 A N 1.056 123.978 122.820 0.169 0.000 1.883 317 A HA -0.109 4.212 4.320 0.000 0.000 0.217 317 A C 2.498 180.092 177.584 0.017 0.000 1.186 317 A CA 2.058 54.132 52.037 0.062 0.000 0.624 317 A CB -1.100 17.908 19.000 0.013 0.000 0.822 317 A HN 0.344 nan 8.150 nan 0.000 0.444 318 G N -0.883 107.931 108.800 0.023 0.000 2.402 318 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 318 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 318 G C 1.757 176.664 174.900 0.012 0.000 1.162 318 G CA 1.012 46.119 45.100 0.011 0.000 0.777 318 G HN 0.557 nan 8.290 nan 0.000 0.539 319 R N -0.025 120.494 120.500 0.032 0.000 2.066 319 R HA 0.071 4.411 4.340 0.000 0.000 0.232 319 R C 2.558 178.888 176.300 0.050 0.000 1.131 319 R CA 1.137 57.259 56.100 0.036 0.000 0.955 319 R CB -0.310 30.022 30.300 0.052 0.000 0.851 319 R HN 0.407 nan 8.270 nan 0.000 0.432 320 I N 1.281 121.901 120.570 0.083 0.000 2.252 320 I HA -0.259 3.912 4.170 0.000 0.000 0.245 320 I C 1.813 177.992 176.117 0.104 0.000 1.102 320 I CA 0.989 62.374 61.300 0.143 0.000 1.385 320 I CB -0.384 37.694 38.000 0.130 0.000 1.064 320 I HN 0.224 nan 8.210 nan 0.000 0.414 321 N N 1.169 119.874 118.700 0.008 0.000 2.166 321 N HA -0.115 4.626 4.740 0.000 0.000 0.186 321 N C 1.909 177.393 175.510 -0.044 0.000 1.019 321 N CA 1.547 54.565 53.050 -0.052 0.000 0.856 321 N CB -0.641 37.785 38.487 -0.102 0.000 0.993 321 N HN 0.420 nan 8.380 nan 0.000 0.426 322 G N 0.771 109.553 108.800 -0.029 0.000 2.432 322 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 322 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 322 G C 1.615 176.476 174.900 -0.065 0.000 1.135 322 G CA 0.738 45.815 45.100 -0.038 0.000 0.767 322 G HN 0.332 nan 8.290 nan 0.000 0.550 323 K N -1.197 119.151 120.400 -0.087 0.000 2.128 323 K HA 0.111 4.431 4.320 0.000 0.000 0.202 323 K C 1.600 177.983 176.600 -0.362 0.000 1.050 323 K CA 0.410 56.551 56.287 -0.242 0.000 0.966 323 K CB 0.030 32.341 32.500 -0.316 0.000 0.759 323 K HN 0.382 nan 8.250 nan 0.000 0.454 324 Y N 0.061 120.324 120.300 -0.062 0.000 2.442 324 Y HA 0.295 4.845 4.550 0.000 0.000 0.250 324 Y C 1.078 176.910 175.900 -0.114 0.000 1.113 324 Y CA -0.206 57.840 58.100 -0.089 0.000 1.273 324 Y CB 0.554 38.931 38.460 -0.139 0.000 1.138 324 Y HN 0.025 nan 8.280 nan 0.000 0.522 325 G N 0.619 109.409 108.800 -0.016 0.000 2.664 325 G HA2 0.355 4.315 3.960 0.000 0.000 0.242 325 G HA3 0.355 4.315 3.960 0.000 0.000 0.242 325 G C -0.343 174.594 174.900 0.061 0.000 1.225 325 G CA -0.192 44.869 45.100 -0.065 0.000 0.849 325 G HN 0.234 nan 8.290 nan 0.000 0.581 326 Q N -0.695 119.181 119.800 0.127 0.000 2.668 326 Q HA 0.385 4.726 4.340 0.000 0.000 0.298 326 Q C 1.373 177.448 176.000 0.126 0.000 1.071 326 Q CA -1.023 54.880 55.803 0.168 0.000 0.789 326 Q CB 1.978 30.887 28.738 0.286 0.000 1.497 326 Q HN 0.362 nan 8.270 nan 0.000 0.460 327 L N -0.216 121.073 121.223 0.110 0.000 2.083 327 L HA -0.065 4.275 4.340 0.000 0.000 0.209 327 L C 1.473 178.406 176.870 0.104 0.000 1.083 327 L CA 1.662 56.552 54.840 0.084 0.000 0.752 327 L CB -0.169 41.931 42.059 0.068 0.000 0.899 327 L HN 0.848 nan 8.230 nan 0.000 0.433 328 G N -2.693 106.197 108.800 0.150 0.000 3.575 328 G HA2 0.052 4.012 3.960 0.000 0.000 0.273 328 G HA3 0.052 4.012 3.960 0.000 0.000 0.273 328 G C -0.912 174.165 174.900 0.294 0.000 1.053 328 G CA -0.266 44.939 45.100 0.174 0.000 0.803 328 G HN 0.221 nan 8.290 nan 0.000 0.528 329 W N 1.500 122.843 121.300 0.070 0.000 2.934 329 W HA 0.528 5.188 4.660 0.000 0.000 0.333 329 W C -1.046 175.531 176.519 0.097 0.000 1.035 329 W CA -0.882 56.521 57.345 0.097 0.000 1.256 329 W CB 1.199 30.711 29.460 0.088 0.000 1.306 329 W HN -0.117 nan 8.180 nan 0.000 0.430 330 T N 8.363 122.746 114.554 -0.285 0.000 2.753 330 T HA 0.203 4.553 4.350 0.000 0.000 0.297 330 T C -1.746 172.547 174.700 -0.679 0.000 0.981 330 T CA -1.032 60.809 62.100 -0.433 0.000 0.956 330 T CB 1.533 70.224 68.868 -0.295 0.000 0.936 330 T HN 0.192 nan 8.240 nan 0.000 0.463 331 P HA 0.063 nan 4.420 nan 0.000 0.218 331 P C 0.118 177.388 177.300 -0.049 0.000 1.149 331 P CA 0.534 63.213 63.100 -0.701 0.000 0.817 331 P CB 0.430 31.779 31.700 -0.585 0.000 0.785 332 L N -1.210 119.968 121.223 -0.075 0.000 2.409 332 L HA 0.455 4.796 4.340 0.000 0.000 0.272 332 L C -1.459 175.363 176.870 -0.081 0.000 0.980 332 L CA -1.088 53.666 54.840 -0.143 0.000 0.826 332 L CB 1.470 43.369 42.059 -0.267 0.000 1.268 332 L HN -0.269 nan 8.230 nan 0.000 0.407 333 Y N 4.622 124.690 120.300 -0.387 0.000 2.402 333 Y HA 0.293 4.843 4.550 0.000 0.000 0.332 333 Y C -0.726 175.025 175.900 -0.248 0.000 0.960 333 Y CA -0.726 57.218 58.100 -0.260 0.000 1.228 333 Y CB 1.071 39.393 38.460 -0.231 0.000 1.120 333 Y HN 0.424 nan 8.280 nan 0.000 0.491 334 Y N 4.748 124.962 120.300 -0.144 0.000 2.353 334 Y HA 0.663 5.214 4.550 0.000 0.000 0.340 334 Y C -1.497 174.389 175.900 -0.024 0.000 0.972 334 Y CA -1.432 56.618 58.100 -0.082 0.000 1.157 334 Y CB 0.623 39.093 38.460 0.017 0.000 1.157 334 Y HN 0.500 nan 8.280 nan 0.000 0.495 335 L N 7.299 128.233 121.223 -0.483 0.000 2.345 335 L HA 0.341 4.682 4.340 0.000 0.000 0.274 335 L C 0.145 176.730 176.870 -0.474 0.000 0.999 335 L CA -0.409 54.189 54.840 -0.404 0.000 0.849 335 L CB 1.340 43.331 42.059 -0.113 0.000 1.220 335 L HN 0.726 nan 8.230 nan 0.000 0.422 336 N N 4.074 122.429 118.700 -0.576 0.000 3.254 336 N HA 0.147 4.887 4.740 0.000 0.000 0.308 336 N C -0.830 174.642 175.510 -0.063 0.000 1.281 336 N CA -0.104 52.765 53.050 -0.303 0.000 1.212 336 N CB 0.356 38.703 38.487 -0.233 0.000 1.478 336 N HN 0.665 nan 8.380 nan 0.000 0.548 337 Q N 0.478 120.299 119.800 0.035 0.000 2.377 337 Q HA 0.110 4.450 4.340 0.000 0.000 0.279 337 Q C -1.434 174.748 176.000 0.303 0.000 1.049 337 Q CA -0.848 55.056 55.803 0.170 0.000 0.825 337 Q CB 1.891 30.767 28.738 0.230 0.000 1.401 337 Q HN 0.441 nan 8.270 nan 0.000 0.404 338 H N 0.970 120.140 119.070 0.167 0.000 2.683 338 H HA 0.427 4.983 4.556 0.000 0.000 0.339 338 H C -1.444 174.043 175.328 0.265 0.000 1.081 338 H CA 0.269 56.427 56.048 0.184 0.000 1.432 338 H CB 0.409 30.201 29.762 0.050 0.000 1.462 338 H HN 0.312 nan 8.280 nan 0.000 0.557 339 F N 2.426 121.973 119.950 -0.672 0.000 2.532 339 F HA 0.163 4.690 4.527 0.000 0.000 0.321 339 F C 0.040 175.491 175.800 -0.582 0.000 1.089 339 F CA -1.219 56.515 58.000 -0.444 0.000 0.926 339 F CB 1.371 40.222 39.000 -0.249 0.000 1.168 339 F HN 0.660 nan 8.300 nan 0.000 0.459 340 D N 1.683 121.995 120.400 -0.146 0.000 2.455 340 D HA 0.056 4.696 4.640 0.000 0.000 0.241 340 D C 1.479 177.741 176.300 -0.063 0.000 1.138 340 D CA 0.259 54.227 54.000 -0.053 0.000 0.877 340 D CB 0.900 41.685 40.800 -0.025 0.000 1.187 340 D HN 0.591 nan 8.370 nan 0.000 0.451 341 R N 2.996 123.475 120.500 -0.035 0.000 2.096 341 R HA -0.196 4.144 4.340 0.000 0.000 0.240 341 R C 1.681 177.936 176.300 -0.075 0.000 1.139 341 R CA 1.572 57.642 56.100 -0.048 0.000 0.952 341 R CB 0.066 30.370 30.300 0.007 0.000 0.854 341 R HN 0.482 nan 8.270 nan 0.000 0.436 342 K N 0.024 120.397 120.400 -0.045 0.000 2.063 342 K HA -0.182 4.138 4.320 0.000 0.000 0.208 342 K C 2.038 178.595 176.600 -0.072 0.000 1.048 342 K CA 1.346 57.604 56.287 -0.048 0.000 0.928 342 K CB -0.246 32.238 32.500 -0.026 0.000 0.713 342 K HN 0.137 nan 8.250 nan 0.000 0.442 343 L N 1.632 122.816 121.223 -0.064 0.000 2.017 343 L HA -0.147 4.193 4.340 0.000 0.000 0.208 343 L C 1.924 178.710 176.870 -0.141 0.000 1.073 343 L CA 1.459 56.266 54.840 -0.055 0.000 0.745 343 L CB -0.499 41.559 42.059 -0.001 0.000 0.894 343 L HN 0.141 nan 8.230 nan 0.000 0.432 344 L N -1.235 119.858 121.223 -0.217 0.000 2.043 344 L HA -0.285 4.055 4.340 0.000 0.000 0.212 344 L C 2.545 178.940 176.870 -0.792 0.000 1.075 344 L CA 1.337 55.868 54.840 -0.515 0.000 0.752 344 L CB -0.539 41.197 42.059 -0.537 0.000 0.891 344 L HN 0.360 nan 8.230 nan 0.000 0.432 345 M N -0.536 118.787 119.600 -0.461 0.000 2.159 345 M HA -0.196 4.285 4.480 0.000 0.000 0.263 345 M C 2.129 178.320 176.300 -0.183 0.000 1.063 345 M CA 1.688 56.824 55.300 -0.273 0.000 1.110 345 M CB -0.974 31.576 32.600 -0.083 0.000 1.374 345 M HN 0.179 nan 8.290 nan 0.000 0.411 346 K N 0.241 120.545 120.400 -0.160 0.000 2.097 346 K HA 0.001 4.321 4.320 0.000 0.000 0.205 346 K C 2.005 178.520 176.600 -0.140 0.000 1.050 346 K CA 0.960 57.203 56.287 -0.074 0.000 0.938 346 K CB -0.136 32.359 32.500 -0.008 0.000 0.718 346 K HN 0.259 nan 8.250 nan 0.000 0.442 347 I N 0.371 120.741 120.570 -0.334 0.000 2.179 347 I HA -0.260 3.910 4.170 0.000 0.000 0.242 347 I C 1.841 177.479 176.117 -0.798 0.000 1.088 347 I CA 1.034 61.878 61.300 -0.760 0.000 1.357 347 I CB -0.302 37.239 38.000 -0.765 0.000 1.051 347 I HN 0.011 nan 8.210 nan 0.000 0.409 348 F N 1.157 120.823 119.950 -0.473 0.000 2.087 348 F HA -0.269 4.258 4.527 0.000 0.000 0.299 348 F C 2.717 178.275 175.800 -0.404 0.000 1.100 348 F CA 1.538 59.345 58.000 -0.322 0.000 1.226 348 F CB -1.244 37.628 39.000 -0.214 0.000 0.983 348 F HN 0.036 nan 8.300 nan 0.000 0.479 349 R N -0.177 120.247 120.500 -0.126 0.000 2.091 349 R HA -0.233 4.107 4.340 0.000 0.000 0.238 349 R C 2.255 178.515 176.300 -0.067 0.000 1.136 349 R CA 2.058 58.087 56.100 -0.118 0.000 0.959 349 R CB -0.623 29.649 30.300 -0.047 0.000 0.856 349 R HN 0.470 nan 8.270 nan 0.000 0.437 350 Y N -1.150 119.106 120.300 -0.074 0.000 2.511 350 Y HA 0.417 4.967 4.550 0.000 0.000 0.279 350 Y C 0.161 176.056 175.900 -0.008 0.000 1.157 350 Y CA -0.704 57.367 58.100 -0.049 0.000 1.300 350 Y CB -0.117 38.312 38.460 -0.051 0.000 1.052 350 Y HN -0.202 nan 8.280 nan 0.000 0.529 351 S N 1.722 117.278 115.700 -0.240 0.000 2.572 351 S HA -0.008 4.462 4.470 0.000 0.000 0.279 351 S C 0.191 174.870 174.600 0.132 0.000 1.341 351 S CA 0.111 58.309 58.200 -0.004 0.000 1.043 351 S CB 0.797 64.037 63.200 0.066 0.000 0.887 351 S HN 0.494 nan 8.310 nan 0.000 0.516 352 D N 0.494 120.990 120.400 0.160 0.000 2.271 352 D HA 0.111 4.751 4.640 0.000 0.000 0.206 352 D C -0.269 176.118 176.300 0.144 0.000 0.967 352 D CA 0.603 54.681 54.000 0.130 0.000 0.867 352 D CB 0.284 41.141 40.800 0.096 0.000 0.960 352 D HN 0.208 nan 8.370 nan 0.000 0.509 353 V N 0.175 120.172 119.914 0.138 0.000 2.733 353 V HA 0.641 4.762 4.120 0.000 0.000 0.306 353 V C 0.091 176.090 176.094 -0.157 0.000 1.084 353 V CA -1.239 61.067 62.300 0.010 0.000 0.905 353 V CB 2.043 33.836 31.823 -0.050 0.000 1.010 353 V HN 0.039 nan 8.190 nan 0.000 0.424 354 G N 3.556 111.971 108.800 -0.641 0.000 2.370 354 G HA2 0.617 4.578 3.960 0.000 0.000 0.317 354 G HA3 0.617 4.578 3.960 0.000 0.000 0.317 354 G C -0.959 173.626 174.900 -0.525 0.000 1.162 354 G CA -0.449 44.050 45.100 -1.002 0.000 0.922 354 G HN 0.625 nan 8.290 nan 0.000 0.454 355 L N 3.756 124.800 121.223 -0.299 0.000 2.264 355 L HA 0.444 4.784 4.340 0.000 0.000 0.287 355 L C -0.674 176.110 176.870 -0.143 0.000 1.039 355 L CA -0.629 54.084 54.840 -0.212 0.000 0.829 355 L CB 1.401 43.324 42.059 -0.227 0.000 1.211 355 L HN 0.194 nan 8.230 nan 0.000 0.427 356 V N 3.088 122.920 119.914 -0.138 0.000 2.320 356 V HA 0.219 4.339 4.120 0.000 0.000 0.268 356 V C 0.296 176.366 176.094 -0.039 0.000 1.021 356 V CA -0.378 61.878 62.300 -0.074 0.000 0.813 356 V CB 1.225 32.993 31.823 -0.091 0.000 1.054 356 V HN 0.817 nan 8.190 nan 0.000 0.444 357 T N 1.536 116.081 114.554 -0.014 0.000 3.514 357 T HA 0.379 4.729 4.350 0.000 0.000 0.259 357 T C -2.317 172.400 174.700 0.027 0.000 1.466 357 T CA -1.674 60.424 62.100 -0.003 0.000 1.562 357 T CB 0.861 69.712 68.868 -0.029 0.000 0.924 357 T HN 0.390 nan 8.240 nan 0.000 0.678 358 P HA 0.211 nan 4.420 nan 0.000 0.272 358 P C 0.639 178.000 177.300 0.102 0.000 1.230 358 P CA -0.623 62.523 63.100 0.077 0.000 0.788 358 P CB 1.075 32.841 31.700 0.110 0.000 0.949 359 L N 0.613 121.861 121.223 0.041 0.000 2.109 359 L HA 0.043 4.383 4.340 0.000 0.000 0.207 359 L C 1.307 178.177 176.870 0.000 0.000 1.086 359 L CA 1.823 56.642 54.840 -0.035 0.000 0.760 359 L CB -0.891 41.119 42.059 -0.081 0.000 0.910 359 L HN 0.451 nan 8.230 nan 0.000 0.437 360 R N -0.513 120.047 120.500 0.100 0.000 2.566 360 R HA 0.438 4.779 4.340 0.000 0.000 0.271 360 R C -1.487 174.944 176.300 0.218 0.000 1.071 360 R CA -0.620 55.559 56.100 0.131 0.000 0.915 360 R CB 2.270 32.640 30.300 0.117 0.000 1.228 360 R HN -0.166 nan 8.270 nan 0.000 0.449 361 D N -0.072 120.439 120.400 0.185 0.000 2.927 361 D HA 0.279 4.920 4.640 0.000 0.000 0.219 361 D C 0.874 177.278 176.300 0.174 0.000 1.248 361 D CA -0.178 53.948 54.000 0.210 0.000 0.861 361 D CB 2.144 43.058 40.800 0.190 0.000 1.677 361 D HN 0.546 nan 8.370 nan 0.000 0.511 362 G N 1.649 110.569 108.800 0.200 0.000 2.446 362 G HA2 -0.188 3.773 3.960 0.000 0.000 0.217 362 G HA3 -0.188 3.773 3.960 0.000 0.000 0.217 362 G C 0.986 176.007 174.900 0.202 0.000 1.168 362 G CA 1.763 46.980 45.100 0.194 0.000 0.771 362 G HN 0.425 nan 8.290 nan 0.000 0.551 363 M N -2.361 117.361 119.600 0.203 0.000 2.023 363 M HA 0.307 4.787 4.480 0.000 0.000 0.182 363 M C -0.488 175.896 176.300 0.139 0.000 1.753 363 M CA 0.396 55.797 55.300 0.168 0.000 0.945 363 M CB 0.458 33.160 32.600 0.170 0.000 1.521 363 M HN 0.150 nan 8.290 nan 0.000 0.599 364 N N 1.130 119.918 118.700 0.148 0.000 2.799 364 N HA -0.103 4.638 4.740 0.000 0.000 0.268 364 N C -0.144 175.425 175.510 0.098 0.000 1.206 364 N CA 0.517 53.643 53.050 0.127 0.000 0.721 364 N CB -0.992 37.560 38.487 0.108 0.000 1.012 364 N HN 0.542 nan 8.380 nan 0.000 0.526 365 L N 1.871 123.156 121.223 0.103 0.000 2.093 365 L HA -0.121 4.219 4.340 0.000 0.000 0.208 365 L C 2.377 179.305 176.870 0.097 0.000 1.085 365 L CA 1.253 56.143 54.840 0.084 0.000 0.755 365 L CB -0.240 41.865 42.059 0.076 0.000 0.904 365 L HN 0.388 nan 8.230 nan 0.000 0.435 366 V N 0.477 120.462 119.914 0.118 0.000 2.380 366 V HA -0.363 3.757 4.120 0.000 0.000 0.251 366 V C 2.785 178.881 176.094 0.004 0.000 1.063 366 V CA 1.975 64.352 62.300 0.129 0.000 1.055 366 V CB -0.872 31.044 31.823 0.155 0.000 0.657 366 V HN 0.522 nan 8.190 nan 0.000 0.455 367 A N -0.513 122.310 122.820 0.005 0.000 1.933 367 A HA -0.217 4.103 4.320 0.000 0.000 0.218 367 A C 2.291 179.883 177.584 0.013 0.000 1.175 367 A CA 1.849 53.871 52.037 -0.025 0.000 0.628 367 A CB -0.350 18.644 19.000 -0.009 0.000 0.814 367 A HN 0.580 nan 8.150 nan 0.000 0.444 368 K N -0.425 119.994 120.400 0.032 0.000 2.116 368 K HA -0.077 4.243 4.320 0.000 0.000 0.203 368 K C 1.888 178.516 176.600 0.046 0.000 1.052 368 K CA 1.308 57.617 56.287 0.037 0.000 0.952 368 K CB -0.134 32.389 32.500 0.037 0.000 0.729 368 K HN 0.590 nan 8.250 nan 0.000 0.446 369 E N 0.266 120.510 120.200 0.073 0.000 2.077 369 E HA -0.221 4.129 4.350 0.000 0.000 0.193 369 E C 1.823 178.462 176.600 0.064 0.000 0.989 369 E CA 1.186 57.670 56.400 0.140 0.000 0.800 369 E CB -0.179 29.707 29.700 0.310 0.000 0.746 369 E HN 0.298 nan 8.360 nan 0.000 0.452 370 Y N 0.984 121.085 120.300 -0.332 0.000 2.128 370 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 370 Y C 2.340 178.142 175.900 -0.165 0.000 1.154 370 Y CA 1.641 59.395 58.100 -0.576 0.000 1.149 370 Y CB -0.249 37.763 38.460 -0.746 0.000 0.976 370 Y HN -0.009 nan 8.280 nan 0.000 0.505 371 V N 0.356 120.277 119.914 0.011 0.000 2.427 371 V HA -0.130 3.990 4.120 0.000 0.000 0.248 371 V C 2.153 178.297 176.094 0.083 0.000 1.051 371 V CA 1.951 64.284 62.300 0.056 0.000 1.048 371 V CB -1.085 30.789 31.823 0.086 0.000 0.666 371 V HN 0.467 nan 8.190 nan 0.000 0.456 372 A N 0.206 123.048 122.820 0.037 0.000 1.969 372 A HA 0.163 4.484 4.320 0.000 0.000 0.218 372 A C 2.404 180.022 177.584 0.057 0.000 1.169 372 A CA 1.793 53.864 52.037 0.057 0.000 0.635 372 A CB -0.910 18.118 19.000 0.046 0.000 0.810 372 A HN 1.029 nan 8.150 nan 0.000 0.445 373 A N -1.177 121.650 122.820 0.012 0.000 2.119 373 A HA 0.086 4.406 4.320 0.000 0.000 0.216 373 A C 1.087 178.615 177.584 -0.092 0.000 1.152 373 A CA 0.297 52.329 52.037 -0.008 0.000 0.708 373 A CB -0.173 18.872 19.000 0.075 0.000 0.805 373 A HN 0.467 nan 8.150 nan 0.000 0.460 374 Q N 1.067 120.774 119.800 -0.156 0.000 2.392 374 Q HA 0.100 4.440 4.340 0.000 0.000 0.262 374 Q C -0.511 175.358 176.000 -0.218 0.000 1.003 374 Q CA -0.119 55.514 55.803 -0.282 0.000 0.888 374 Q CB 0.384 28.818 28.738 -0.506 0.000 1.260 374 Q HN 0.412 nan 8.270 nan 0.000 0.435 375 D N 2.786 123.065 120.400 -0.202 0.000 2.358 375 D HA 0.066 4.706 4.640 0.000 0.000 0.258 375 D C -1.768 174.411 176.300 -0.202 0.000 1.223 375 D CA -1.819 52.098 54.000 -0.139 0.000 0.886 375 D CB 0.969 41.716 40.800 -0.089 0.000 1.120 375 D HN 0.131 nan 8.370 nan 0.000 0.482 376 P HA -0.037 nan 4.420 nan 0.000 0.225 376 P C 0.481 177.747 177.300 -0.057 0.000 1.148 376 P CA 0.813 63.869 63.100 -0.075 0.000 0.779 376 P CB 0.295 32.030 31.700 0.058 0.000 0.780 377 A N -1.702 121.084 122.820 -0.056 0.000 2.267 377 A HA 0.146 4.466 4.320 0.000 0.000 0.213 377 A C 1.073 178.631 177.584 -0.044 0.000 1.192 377 A CA 0.378 52.395 52.037 -0.033 0.000 0.851 377 A CB -0.442 18.548 19.000 -0.018 0.000 0.881 377 A HN 0.075 nan 8.150 nan 0.000 0.494 378 N N 0.046 118.699 118.700 -0.078 0.000 2.679 378 N HA 0.215 4.955 4.740 0.000 0.000 0.240 378 N C -3.413 172.030 175.510 -0.111 0.000 1.537 378 N CA -1.175 51.835 53.050 -0.067 0.000 0.793 378 N CB 1.220 39.685 38.487 -0.038 0.000 1.391 378 N HN 0.027 nan 8.380 nan 0.000 0.524 379 P HA 0.365 nan 4.420 nan 0.000 0.288 379 P C 0.653 177.892 177.300 -0.101 0.000 1.267 379 P CA -0.097 62.851 63.100 -0.253 0.000 0.815 379 P CB 1.161 32.583 31.700 -0.463 0.000 0.989 380 G N 1.119 109.877 108.800 -0.071 0.000 2.611 380 G HA2 0.426 4.386 3.960 0.000 0.000 0.273 380 G HA3 0.426 4.386 3.960 0.000 0.000 0.273 380 G C -0.809 174.190 174.900 0.166 0.000 1.305 380 G CA -0.493 44.656 45.100 0.081 0.000 1.010 380 G HN 0.381 nan 8.290 nan 0.000 0.509 381 V N 0.300 120.328 119.914 0.191 0.000 2.417 381 V HA 0.322 4.442 4.120 0.000 0.000 0.291 381 V C -0.277 175.856 176.094 0.066 0.000 1.024 381 V CA -0.719 61.654 62.300 0.123 0.000 0.861 381 V CB 1.375 33.222 31.823 0.039 0.000 0.985 381 V HN 0.583 nan 8.190 nan 0.000 0.436 382 L N 6.553 127.813 121.223 0.060 0.000 2.281 382 L HA 0.502 4.842 4.340 0.000 0.000 0.285 382 L C -0.246 176.563 176.870 -0.102 0.000 1.074 382 L CA 0.425 55.210 54.840 -0.091 0.000 0.817 382 L CB 1.240 43.302 42.059 0.004 0.000 1.168 382 L HN 0.480 nan 8.230 nan 0.000 0.434 383 V N 7.069 126.885 119.914 -0.162 0.000 2.370 383 V HA 0.422 4.542 4.120 0.000 0.000 0.279 383 V C -0.043 175.979 176.094 -0.121 0.000 1.029 383 V CA -0.523 61.703 62.300 -0.124 0.000 0.870 383 V CB 1.317 33.061 31.823 -0.132 0.000 0.984 383 V HN 0.623 nan 8.190 nan 0.000 0.451 384 L N 3.848 125.018 121.223 -0.089 0.000 2.385 384 L HA 0.544 4.885 4.340 0.000 0.000 0.273 384 L C 0.289 177.114 176.870 -0.075 0.000 0.990 384 L CA -0.291 54.505 54.840 -0.074 0.000 0.821 384 L CB 2.390 44.414 42.059 -0.058 0.000 1.279 384 L HN 0.716 nan 8.230 nan 0.000 0.412 385 S N 2.458 118.123 115.700 -0.059 0.000 2.531 385 S HA 0.042 4.512 4.470 0.000 0.000 0.279 385 S C 1.061 175.574 174.600 -0.146 0.000 1.305 385 S CA -0.248 57.906 58.200 -0.077 0.000 1.058 385 S CB 1.048 64.261 63.200 0.021 0.000 0.899 385 S HN 0.772 nan 8.310 nan 0.000 0.493 386 Q N 3.468 123.069 119.800 -0.331 0.000 2.439 386 Q HA -0.106 4.234 4.340 0.000 0.000 0.211 386 Q C 0.417 176.172 176.000 -0.408 0.000 0.978 386 Q CA 1.525 57.083 55.803 -0.408 0.000 0.897 386 Q CB -0.395 28.016 28.738 -0.544 0.000 0.956 386 Q HN 0.821 nan 8.270 nan 0.000 0.483 387 F N 1.196 121.149 119.950 0.005 0.000 2.754 387 F HA 0.362 4.889 4.527 0.001 0.000 0.297 387 F C 1.192 177.001 175.800 0.015 0.000 1.122 387 F CA -0.336 57.665 58.000 0.002 0.000 1.400 387 F CB -0.085 38.915 39.000 -0.000 0.000 1.117 387 F HN 0.039 nan 8.300 nan 0.000 0.587 388 A N 0.644 123.545 122.820 0.134 0.000 2.450 388 A HA 0.448 4.769 4.320 0.000 0.000 0.255 388 A C 1.874 179.516 177.584 0.095 0.000 1.096 388 A CA 0.370 52.475 52.037 0.113 0.000 0.778 388 A CB -0.075 18.973 19.000 0.080 0.000 1.031 388 A HN 0.448 nan 8.150 nan 0.000 0.494 389 G N 2.094 110.964 108.800 0.117 0.000 2.545 389 G HA2 -0.157 3.803 3.960 0.000 0.000 0.222 389 G HA3 -0.157 3.803 3.960 0.000 0.000 0.222 389 G C 1.527 176.484 174.900 0.095 0.000 1.126 389 G CA 1.481 46.651 45.100 0.116 0.000 0.754 389 G HN 1.364 nan 8.290 nan 0.000 0.583 390 A N 0.825 123.696 122.820 0.085 0.000 2.070 390 A HA 0.317 4.637 4.320 0.000 0.000 0.220 390 A C 2.701 180.309 177.584 0.040 0.000 1.159 390 A CA 1.938 54.014 52.037 0.065 0.000 0.656 390 A CB -0.503 18.531 19.000 0.057 0.000 0.800 390 A HN 0.875 nan 8.150 nan 0.000 0.453 391 A N 0.294 123.130 122.820 0.027 0.000 2.121 391 A HA -0.141 4.180 4.320 0.000 0.000 0.218 391 A C 1.811 179.399 177.584 0.006 0.000 1.154 391 A CA 1.252 53.288 52.037 -0.001 0.000 0.679 391 A CB -0.550 18.429 19.000 -0.035 0.000 0.795 391 A HN 0.622 nan 8.150 nan 0.000 0.458 392 N N -0.111 118.606 118.700 0.028 0.000 2.223 392 N HA -0.145 4.596 4.740 0.000 0.000 0.185 392 N C 1.518 177.049 175.510 0.034 0.000 1.016 392 N CA 1.615 54.685 53.050 0.033 0.000 0.863 392 N CB -0.092 38.429 38.487 0.056 0.000 0.983 392 N HN 0.696 nan 8.380 nan 0.000 0.429 393 E N 0.335 120.558 120.200 0.039 0.000 2.132 393 E HA 0.157 4.508 4.350 0.000 0.000 0.193 393 E C 0.498 177.110 176.600 0.020 0.000 0.951 393 E CA 0.068 56.491 56.400 0.037 0.000 0.843 393 E CB 0.273 30.005 29.700 0.053 0.000 0.807 393 E HN 0.154 nan 8.360 nan 0.000 0.467 394 L N 2.229 123.461 121.223 0.015 0.000 2.583 394 L HA 0.103 4.444 4.340 0.000 0.000 0.239 394 L C 1.340 178.208 176.870 -0.004 0.000 1.347 394 L CA -0.110 54.732 54.840 0.004 0.000 1.246 394 L CB -0.018 42.044 42.059 0.005 0.000 1.496 394 L HN 0.133 nan 8.230 nan 0.000 0.413 395 T N -0.849 113.703 114.554 -0.003 0.000 2.833 395 T HA -0.127 4.223 4.350 0.000 0.000 0.269 395 T C 1.792 176.487 174.700 -0.009 0.000 1.054 395 T CA 1.493 63.588 62.100 -0.007 0.000 1.135 395 T CB 0.161 69.027 68.868 -0.003 0.000 0.869 395 T HN 0.420 nan 8.240 nan 0.000 0.466 396 S N 0.918 116.614 115.700 -0.007 0.000 2.631 396 S HA 0.485 4.955 4.470 0.000 0.000 0.217 396 S C 0.833 175.434 174.600 0.000 0.000 0.958 396 S CA -0.236 57.962 58.200 -0.003 0.000 0.920 396 S CB -0.089 63.111 63.200 -0.001 0.000 0.776 396 S HN 0.611 nan 8.310 nan 0.000 0.517 397 A N 1.108 123.925 122.820 -0.005 0.000 2.366 397 A HA 0.439 4.759 4.320 0.000 0.000 0.250 397 A C -0.086 177.486 177.584 -0.020 0.000 1.099 397 A CA -0.262 51.770 52.037 -0.009 0.000 0.794 397 A CB 0.019 19.008 19.000 -0.019 0.000 1.056 397 A HN 0.269 nan 8.150 nan 0.000 0.499 398 L N 1.852 123.057 121.223 -0.029 0.000 2.363 398 L HA 0.200 4.541 4.340 0.000 0.000 0.286 398 L C -0.201 176.637 176.870 -0.053 0.000 1.106 398 L CA 0.173 54.990 54.840 -0.038 0.000 0.859 398 L CB -0.026 42.007 42.059 -0.043 0.000 1.223 398 L HN 0.371 nan 8.230 nan 0.000 0.446 399 I N 5.149 125.687 120.570 -0.053 0.000 2.371 399 I HA 0.391 4.561 4.170 0.000 0.000 0.290 399 I C 0.321 176.390 176.117 -0.080 0.000 1.028 399 I CA -0.275 60.981 61.300 -0.073 0.000 1.345 399 I CB 1.171 39.125 38.000 -0.076 0.000 1.407 399 I HN 0.286 nan 8.210 nan 0.000 0.501 400 V N 3.103 122.957 119.914 -0.099 0.000 3.130 400 V HA 0.562 4.682 4.120 0.000 0.000 0.310 400 V C -0.562 175.461 176.094 -0.117 0.000 1.158 400 V CA -1.081 61.170 62.300 -0.083 0.000 1.029 400 V CB 2.221 34.011 31.823 -0.056 0.000 1.057 400 V HN 0.792 nan 8.190 nan 0.000 0.436 401 N N 2.604 121.270 118.700 -0.057 0.000 2.501 401 N HA 0.479 5.219 4.740 0.000 0.000 0.245 401 N C -1.743 173.819 175.510 0.088 0.000 0.974 401 N CA -1.921 51.137 53.050 0.013 0.000 0.941 401 N CB 2.097 40.636 38.487 0.086 0.000 1.122 401 N HN 0.630 nan 8.380 nan 0.000 0.507 402 P HA -0.137 nan 4.420 nan 0.000 0.230 402 P C 0.271 177.501 177.300 -0.117 0.000 1.158 402 P CA 0.968 64.038 63.100 -0.049 0.000 0.769 402 P CB -0.048 31.589 31.700 -0.106 0.000 0.807 403 Y N 0.014 120.405 120.300 0.152 0.000 2.574 403 Y HA -0.027 4.524 4.550 0.000 0.000 0.294 403 Y C 1.183 177.127 175.900 0.073 0.000 1.142 403 Y CA 0.513 58.670 58.100 0.096 0.000 1.314 403 Y CB -0.318 38.196 38.460 0.090 0.000 0.991 403 Y HN -0.040 nan 8.280 nan 0.000 0.555 404 D N 0.483 120.989 120.400 0.177 0.000 2.479 404 D HA 0.071 4.711 4.640 0.000 0.000 0.247 404 D C 1.204 177.552 176.300 0.080 0.000 1.119 404 D CA -0.410 53.662 54.000 0.120 0.000 0.922 404 D CB 0.417 41.281 40.800 0.106 0.000 1.014 404 D HN 0.261 nan 8.370 nan 0.000 0.510 405 R N 2.348 122.894 120.500 0.077 0.000 2.127 405 R HA -0.144 4.196 4.340 0.000 0.000 0.238 405 R C 0.204 176.542 176.300 0.064 0.000 1.134 405 R CA 0.965 57.103 56.100 0.063 0.000 0.975 405 R CB -0.108 30.234 30.300 0.070 0.000 0.865 405 R HN 0.167 nan 8.270 nan 0.000 0.447 406 D N 1.070 121.514 120.400 0.073 0.000 2.144 406 D HA -0.145 4.495 4.640 0.000 0.000 0.200 406 D C 1.785 178.133 176.300 0.081 0.000 0.978 406 D CA 1.153 55.206 54.000 0.088 0.000 0.833 406 D CB -0.199 40.649 40.800 0.081 0.000 0.961 406 D HN 0.489 nan 8.370 nan 0.000 0.470 407 E N 0.431 120.667 120.200 0.059 0.000 2.106 407 E HA -0.122 4.228 4.350 0.000 0.000 0.192 407 E C 1.972 178.581 176.600 0.015 0.000 0.984 407 E CA 0.604 57.028 56.400 0.040 0.000 0.806 407 E CB 0.284 30.004 29.700 0.034 0.000 0.750 407 E HN 0.026 nan 8.360 nan 0.000 0.458 408 V N 1.239 121.159 119.914 0.010 0.000 2.307 408 V HA -0.236 3.885 4.120 0.000 0.000 0.245 408 V C 2.506 178.576 176.094 -0.041 0.000 1.045 408 V CA 1.718 64.005 62.300 -0.021 0.000 1.024 408 V CB -0.828 30.982 31.823 -0.023 0.000 0.651 408 V HN 0.391 nan 8.190 nan 0.000 0.449 409 A N 0.231 123.045 122.820 -0.011 0.000 1.908 409 A HA -0.161 4.159 4.320 0.000 0.000 0.218 409 A C 2.437 179.934 177.584 -0.145 0.000 1.181 409 A CA 2.251 54.263 52.037 -0.041 0.000 0.627 409 A CB -0.840 18.208 19.000 0.081 0.000 0.818 409 A HN 0.582 nan 8.150 nan 0.000 0.445 410 A N -0.248 122.556 122.820 -0.026 0.000 1.902 410 A HA 0.147 4.467 4.320 0.000 0.000 0.217 410 A C 2.492 180.020 177.584 -0.094 0.000 1.181 410 A CA 2.133 54.153 52.037 -0.029 0.000 0.623 410 A CB -0.962 18.086 19.000 0.080 0.000 0.818 410 A HN 1.080 nan 8.150 nan 0.000 0.443 411 A N -0.367 122.408 122.820 -0.074 0.000 1.930 411 A HA 0.023 4.343 4.320 0.000 0.000 0.217 411 A C 2.161 179.675 177.584 -0.116 0.000 1.175 411 A CA 1.342 53.332 52.037 -0.078 0.000 0.627 411 A CB -0.541 18.420 19.000 -0.065 0.000 0.815 411 A HN 0.468 nan 8.150 nan 0.000 0.443 412 L N -0.630 120.501 121.223 -0.154 0.000 2.017 412 L HA -0.229 4.111 4.340 0.000 0.000 0.208 412 L C 2.450 179.179 176.870 -0.235 0.000 1.073 412 L CA 2.006 56.734 54.840 -0.187 0.000 0.745 412 L CB -0.627 41.318 42.059 -0.189 0.000 0.894 412 L HN 0.508 nan 8.230 nan 0.000 0.432 413 D N -0.085 120.116 120.400 -0.331 0.000 2.123 413 D HA -0.252 4.388 4.640 0.000 0.000 0.196 413 D C 2.323 178.549 176.300 -0.123 0.000 0.992 413 D CA 1.251 55.067 54.000 -0.307 0.000 0.833 413 D CB 0.048 40.489 40.800 -0.599 0.000 0.954 413 D HN 0.041 nan 8.370 nan 0.000 0.455 414 R N -0.238 120.201 120.500 -0.102 0.000 2.081 414 R HA -0.113 4.227 4.340 0.000 0.000 0.235 414 R C 2.139 178.417 176.300 -0.036 0.000 1.131 414 R CA 1.443 57.518 56.100 -0.042 0.000 0.960 414 R CB -0.329 29.952 30.300 -0.031 0.000 0.856 414 R HN 0.231 nan 8.270 nan 0.000 0.436 415 A N 0.792 123.576 122.820 -0.060 0.000 1.930 415 A HA -0.091 4.230 4.320 0.000 0.000 0.217 415 A C 2.134 179.698 177.584 -0.032 0.000 1.175 415 A CA 1.048 53.059 52.037 -0.043 0.000 0.627 415 A CB -0.405 18.558 19.000 -0.061 0.000 0.815 415 A HN 0.352 nan 8.150 nan 0.000 0.443 416 L N -0.209 120.977 121.223 -0.060 0.000 2.201 416 L HA -0.091 4.250 4.340 0.000 0.000 0.212 416 L C 2.313 179.195 176.870 0.020 0.000 1.105 416 L CA 1.599 56.414 54.840 -0.042 0.000 0.775 416 L CB -0.268 41.706 42.059 -0.142 0.000 0.913 416 L HN 0.628 nan 8.230 nan 0.000 0.440 417 T N -4.619 109.952 114.554 0.028 0.000 3.085 417 T HA 0.182 4.532 4.350 0.000 0.000 0.264 417 T C 0.593 175.311 174.700 0.030 0.000 1.019 417 T CA -0.322 61.806 62.100 0.046 0.000 0.910 417 T CB 0.074 68.979 68.868 0.061 0.000 1.059 417 T HN 0.008 nan 8.240 nan 0.000 0.542 418 M N 3.902 123.514 119.600 0.020 0.000 2.239 418 M HA 0.263 4.743 4.480 0.000 0.000 0.348 418 M C 0.605 176.917 176.300 0.021 0.000 1.239 418 M CA -0.255 55.056 55.300 0.018 0.000 1.114 418 M CB 0.624 33.233 32.600 0.015 0.000 1.641 418 M HN 0.474 nan 8.290 nan 0.000 0.453 419 S N 4.154 119.865 115.700 0.019 0.000 2.584 419 S HA 0.028 4.498 4.470 0.000 0.000 0.270 419 S C 0.827 175.437 174.600 0.017 0.000 1.346 419 S CA -0.811 57.400 58.200 0.018 0.000 1.018 419 S CB 0.880 64.090 63.200 0.016 0.000 0.899 419 S HN 0.835 nan 8.310 nan 0.000 0.542 420 L N 2.303 123.535 121.223 0.015 0.000 2.042 420 L HA 0.025 4.365 4.340 0.000 0.000 0.210 420 L C 2.640 179.518 176.870 0.015 0.000 1.076 420 L CA 2.475 57.322 54.840 0.012 0.000 0.749 420 L CB -1.783 40.281 42.059 0.008 0.000 0.893 420 L HN 0.966 nan 8.230 nan 0.000 0.432 421 A N -1.112 121.717 122.820 0.015 0.000 1.902 421 A HA -0.251 4.069 4.320 0.000 0.000 0.217 421 A C 2.345 179.942 177.584 0.022 0.000 1.181 421 A CA 1.756 53.804 52.037 0.018 0.000 0.623 421 A CB -0.701 18.308 19.000 0.015 0.000 0.818 421 A HN 0.593 nan 8.150 nan 0.000 0.443 422 E N -0.427 119.786 120.200 0.021 0.000 2.106 422 E HA -0.181 4.169 4.350 0.000 0.000 0.192 422 E C 2.291 178.911 176.600 0.033 0.000 0.984 422 E CA 0.797 57.212 56.400 0.024 0.000 0.806 422 E CB -0.073 29.639 29.700 0.020 0.000 0.750 422 E HN 0.569 nan 8.360 nan 0.000 0.458 423 R N 0.070 120.590 120.500 0.033 0.000 2.081 423 R HA -0.116 4.224 4.340 0.000 0.000 0.235 423 R C 2.442 178.782 176.300 0.067 0.000 1.131 423 R CA 1.274 57.400 56.100 0.043 0.000 0.960 423 R CB -0.231 30.085 30.300 0.026 0.000 0.856 423 R HN 0.274 nan 8.270 nan 0.000 0.436 424 I N -0.084 120.518 120.570 0.053 0.000 2.202 424 I HA -0.278 3.893 4.170 0.000 0.000 0.242 424 I C 2.638 178.809 176.117 0.090 0.000 1.091 424 I CA 1.004 62.350 61.300 0.076 0.000 1.368 424 I CB -0.343 37.685 38.000 0.046 0.000 1.058 424 I HN 0.157 nan 8.210 nan 0.000 0.410 425 S N 0.895 116.628 115.700 0.056 0.000 2.377 425 S HA -0.291 4.179 4.470 0.000 0.000 0.224 425 S C 2.234 176.861 174.600 0.044 0.000 1.042 425 S CA 1.837 60.062 58.200 0.041 0.000 1.086 425 S CB -0.257 62.961 63.200 0.029 0.000 0.995 425 S HN 0.282 nan 8.310 nan 0.000 0.428 426 R N -0.339 120.192 120.500 0.052 0.000 2.083 426 R HA -0.133 4.207 4.340 0.000 0.000 0.237 426 R C 2.576 178.915 176.300 0.064 0.000 1.137 426 R CA 1.715 57.844 56.100 0.050 0.000 0.951 426 R CB -0.823 29.509 30.300 0.053 0.000 0.851 426 R HN 0.667 nan 8.270 nan 0.000 0.434 427 H N 0.423 119.499 119.070 0.009 0.000 2.353 427 H HA -0.070 4.486 4.556 0.000 0.000 0.300 427 H C 1.800 177.129 175.328 0.002 0.000 1.090 427 H CA 1.739 57.791 56.048 0.005 0.000 1.327 427 H CB 0.136 29.896 29.762 -0.003 0.000 1.383 427 H HN 0.259 nan 8.280 nan 0.000 0.508 428 A N 1.071 123.866 122.820 -0.042 0.000 1.902 428 A HA -0.162 4.158 4.320 0.000 0.000 0.217 428 A C 2.352 179.874 177.584 -0.104 0.000 1.181 428 A CA 1.596 53.583 52.037 -0.083 0.000 0.623 428 A CB -0.428 18.580 19.000 0.014 0.000 0.818 428 A HN 0.611 nan 8.150 nan 0.000 0.443 429 E N -0.690 119.473 120.200 -0.062 0.000 2.047 429 E HA -0.159 4.191 4.350 0.000 0.000 0.191 429 E C 2.112 178.672 176.600 -0.067 0.000 0.987 429 E CA 1.411 57.782 56.400 -0.048 0.000 0.799 429 E CB -0.265 29.422 29.700 -0.022 0.000 0.752 429 E HN 0.629 nan 8.360 nan 0.000 0.449 430 M N 0.258 119.805 119.600 -0.089 0.000 2.132 430 M HA -0.143 4.337 4.480 0.000 0.000 0.263 430 M C 2.343 178.567 176.300 -0.126 0.000 1.065 430 M CA 0.869 56.118 55.300 -0.086 0.000 1.122 430 M CB -0.109 32.450 32.600 -0.068 0.000 1.365 430 M HN 0.129 nan 8.290 nan 0.000 0.411 431 L N 0.600 121.680 121.223 -0.239 0.000 2.141 431 L HA -0.185 4.155 4.340 0.000 0.000 0.209 431 L C 1.707 178.508 176.870 -0.115 0.000 1.094 431 L CA 2.022 56.725 54.840 -0.229 0.000 0.763 431 L CB -0.710 41.114 42.059 -0.392 0.000 0.908 431 L HN 0.237 nan 8.230 nan 0.000 0.437 432 D N -1.259 119.084 120.400 -0.095 0.000 2.097 432 D HA -0.190 4.450 4.640 0.000 0.000 0.195 432 D C 2.150 178.428 176.300 -0.036 0.000 0.989 432 D CA 1.639 55.608 54.000 -0.053 0.000 0.827 432 D CB 0.011 40.786 40.800 -0.041 0.000 0.966 432 D HN 0.172 nan 8.370 nan 0.000 0.456 433 V N 0.501 120.396 119.914 -0.032 0.000 2.287 433 V HA -0.252 3.868 4.120 0.000 0.000 0.248 433 V C 2.551 178.644 176.094 -0.001 0.000 1.053 433 V CA 1.603 63.896 62.300 -0.011 0.000 1.027 433 V CB -0.477 31.345 31.823 -0.003 0.000 0.646 433 V HN 0.327 nan 8.190 nan 0.000 0.447 434 I N -0.584 119.980 120.570 -0.011 0.000 2.286 434 I HA -0.198 3.972 4.170 0.000 0.000 0.248 434 I C 2.271 178.394 176.117 0.010 0.000 1.115 434 I CA 1.102 62.405 61.300 0.004 0.000 1.392 434 I CB -0.268 37.726 38.000 -0.010 0.000 1.065 434 I HN 0.140 nan 8.210 nan 0.000 0.418 435 V N 0.539 120.448 119.914 -0.007 0.000 2.453 435 V HA -0.231 3.889 4.120 0.000 0.000 0.247 435 V C 2.295 178.382 176.094 -0.012 0.000 1.048 435 V CA 1.695 63.993 62.300 -0.004 0.000 1.049 435 V CB -0.534 31.282 31.823 -0.013 0.000 0.672 435 V HN 0.368 nan 8.190 nan 0.000 0.457 436 K N 0.298 120.681 120.400 -0.028 0.000 2.217 436 K HA -0.065 4.255 4.320 0.000 0.000 0.202 436 K C 1.076 177.615 176.600 -0.102 0.000 1.051 436 K CA 0.996 57.239 56.287 -0.073 0.000 0.952 436 K CB -0.062 32.400 32.500 -0.064 0.000 0.736 436 K HN 0.323 nan 8.250 nan 0.000 0.453 437 N N 1.647 120.356 118.700 0.014 0.000 2.908 437 N HA -0.013 4.727 4.740 0.000 0.000 0.316 437 N C -1.188 174.421 175.510 0.166 0.000 1.619 437 N CA -0.209 52.926 53.050 0.141 0.000 1.045 437 N CB 0.026 38.629 38.487 0.193 0.000 1.357 437 N HN 0.013 nan 8.380 nan 0.000 0.501 438 D N 0.498 120.985 120.400 0.145 0.000 2.515 438 D HA -0.157 4.483 4.640 0.000 0.000 0.230 438 D C 1.467 177.892 176.300 0.208 0.000 1.181 438 D CA 0.122 54.211 54.000 0.149 0.000 0.875 438 D CB 0.895 41.784 40.800 0.148 0.000 1.213 438 D HN 0.331 nan 8.370 nan 0.000 0.478 439 I N 3.229 123.885 120.570 0.143 0.000 2.361 439 I HA -0.257 3.913 4.170 0.000 0.000 0.251 439 I C 1.868 178.150 176.117 0.274 0.000 1.133 439 I CA 1.297 62.697 61.300 0.168 0.000 1.413 439 I CB -0.345 37.691 38.000 0.060 0.000 1.073 439 I HN 0.430 nan 8.210 nan 0.000 0.424 440 N N -0.098 118.728 118.700 0.209 0.000 2.084 440 N HA -0.321 4.420 4.740 0.000 0.000 0.190 440 N C 2.126 177.778 175.510 0.237 0.000 1.030 440 N CA 1.914 55.081 53.050 0.195 0.000 0.849 440 N CB -0.310 38.264 38.487 0.145 0.000 1.012 440 N HN 0.545 nan 8.380 nan 0.000 0.423 441 H N -1.464 117.705 119.070 0.166 0.000 2.387 441 H HA -0.099 4.457 4.556 0.000 0.000 0.299 441 H C 1.694 177.159 175.328 0.228 0.000 1.090 441 H CA 2.060 58.207 56.048 0.166 0.000 1.332 441 H CB -0.560 29.294 29.762 0.154 0.000 1.386 441 H HN 0.499 nan 8.280 nan 0.000 0.516 442 W N 1.418 122.748 121.300 0.050 0.000 2.353 442 W HA -0.187 4.473 4.660 0.000 0.000 0.319 442 W C 2.647 179.161 176.519 -0.008 0.000 1.207 442 W CA 2.005 59.360 57.345 0.016 0.000 1.291 442 W CB -0.601 28.880 29.460 0.035 0.000 1.159 442 W HN 0.249 nan 8.180 nan 0.000 0.478 443 Q N 1.144 121.014 119.800 0.117 0.000 2.045 443 Q HA -0.335 4.005 4.340 0.000 0.000 0.206 443 Q C 2.105 178.015 176.000 -0.151 0.000 0.991 443 Q CA 2.689 58.471 55.803 -0.034 0.000 0.851 443 Q CB -0.971 27.882 28.738 0.191 0.000 0.911 443 Q HN 0.685 nan 8.270 nan 0.000 0.418 444 E N -0.401 119.763 120.200 -0.059 0.000 2.038 444 E HA -0.199 4.151 4.350 0.000 0.000 0.195 444 E C 2.225 178.733 176.600 -0.153 0.000 1.000 444 E CA 1.916 58.270 56.400 -0.077 0.000 0.803 444 E CB -0.416 29.287 29.700 0.004 0.000 0.750 444 E HN 0.487 nan 8.360 nan 0.000 0.448 445 C N 0.046 119.226 119.300 -0.201 0.000 2.413 445 C HA -0.112 4.348 4.460 0.000 0.000 0.276 445 C C 2.429 177.292 174.990 -0.211 0.000 1.248 445 C CA 0.865 59.797 59.018 -0.144 0.000 1.742 445 C CB -1.315 26.390 27.740 -0.057 0.000 2.017 445 C HN 0.559 nan 8.230 nan 0.000 0.481 446 F N 1.394 120.924 119.950 -0.700 0.000 2.060 446 F HA -0.048 4.480 4.527 0.000 0.000 0.295 446 F C 2.224 177.522 175.800 -0.836 0.000 1.120 446 F CA 1.629 58.937 58.000 -1.154 0.000 1.205 446 F CB -0.366 37.557 39.000 -1.796 0.000 0.986 446 F HN 0.103 nan 8.300 nan 0.000 0.470 447 I N -0.459 119.799 120.570 -0.519 0.000 2.194 447 I HA -0.369 3.801 4.170 0.000 0.000 0.246 447 I C 2.696 178.635 176.117 -0.297 0.000 1.093 447 I CA 1.719 62.790 61.300 -0.382 0.000 1.355 447 I CB -0.863 37.000 38.000 -0.227 0.000 1.046 447 I HN 0.273 nan 8.210 nan 0.000 0.413 448 S N 0.564 116.121 115.700 -0.239 0.000 2.383 448 S HA -0.203 4.267 4.470 0.000 0.000 0.227 448 S C 1.666 176.160 174.600 -0.177 0.000 1.026 448 S CA 1.673 59.776 58.200 -0.162 0.000 0.981 448 S CB -0.247 62.890 63.200 -0.105 0.000 0.818 448 S HN 0.356 nan 8.310 nan 0.000 0.472 449 D N 0.898 121.155 120.400 -0.238 0.000 2.144 449 D HA -0.022 4.618 4.640 0.000 0.000 0.200 449 D C 1.813 177.951 176.300 -0.270 0.000 0.978 449 D CA 0.662 54.531 54.000 -0.219 0.000 0.833 449 D CB -0.407 40.273 40.800 -0.200 0.000 0.961 449 D HN 0.359 nan 8.370 nan 0.000 0.470 450 L N 1.112 122.094 121.223 -0.401 0.000 2.044 450 L HA -0.060 4.280 4.340 0.000 0.000 0.205 450 L C 1.810 178.571 176.870 -0.182 0.000 1.075 450 L CA 1.718 56.354 54.840 -0.339 0.000 0.747 450 L CB -0.334 41.457 42.059 -0.447 0.000 0.903 450 L HN -0.191 nan 8.230 nan 0.000 0.435 451 K N -0.739 119.565 120.400 -0.161 0.000 2.281 451 K HA -0.189 4.132 4.320 0.000 0.000 0.203 451 K C 1.930 178.484 176.600 -0.076 0.000 1.046 451 K CA 1.363 57.592 56.287 -0.097 0.000 0.938 451 K CB -0.132 32.317 32.500 -0.085 0.000 0.737 451 K HN 0.503 nan 8.250 nan 0.000 0.458 452 Q N 0.054 119.801 119.800 -0.088 0.000 2.482 452 Q HA 0.051 4.392 4.340 0.000 0.000 0.209 452 Q C -0.163 175.805 176.000 -0.053 0.000 0.961 452 Q CA 0.306 56.070 55.803 -0.065 0.000 0.945 452 Q CB 0.182 28.880 28.738 -0.067 0.000 1.012 452 Q HN 0.304 nan 8.270 nan 0.000 0.515 453 I N 1.144 121.681 120.570 -0.056 0.000 2.353 453 I HA 0.103 4.273 4.170 0.000 0.000 0.293 453 I C 0.048 176.154 176.117 -0.018 0.000 0.992 453 I CA -0.969 60.312 61.300 -0.032 0.000 1.268 453 I CB 1.497 39.482 38.000 -0.026 0.000 1.387 453 I HN -0.174 nan 8.210 nan 0.000 0.478 454 V N 5.180 125.089 119.914 -0.008 0.000 2.530 454 V HA 0.436 4.557 4.120 0.000 0.000 0.282 454 V C -2.281 173.818 176.094 0.008 0.000 1.048 454 V CA -1.648 60.650 62.300 -0.003 0.000 0.997 454 V CB 0.131 31.952 31.823 -0.003 0.000 0.987 454 V HN 0.537 nan 8.190 nan 0.000 0.477 455 P HA 0.177 nan 4.420 nan 0.000 0.266 455 P C -0.100 177.211 177.300 0.017 0.000 1.195 455 P CA -0.176 62.933 63.100 0.015 0.000 0.768 455 P CB 0.285 31.992 31.700 0.010 0.000 0.838 456 R N 1.379 121.893 120.500 0.024 0.000 2.698 456 R HA 0.306 4.647 4.340 0.000 0.000 0.266 456 R C -0.324 175.984 176.300 0.012 0.000 1.026 456 R CA -0.072 56.041 56.100 0.023 0.000 1.102 456 R CB -0.225 30.092 30.300 0.029 0.000 0.978 456 R HN 0.546 nan 8.270 nan 0.000 0.436 457 S N 0.827 116.533 115.700 0.010 0.000 2.599 457 S HA 0.736 5.206 4.470 0.000 0.000 0.294 457 S C -0.319 174.283 174.600 0.003 0.000 1.094 457 S CA -0.703 57.500 58.200 0.005 0.000 0.931 457 S CB 2.021 65.224 63.200 0.004 0.000 1.093 457 S HN 0.917 nan 8.310 nan 0.000 0.488 458 A N 0.000 122.819 122.820 -0.001 0.000 2.254 458 A HA 0.000 4.320 4.320 0.000 0.000 0.244 458 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 458 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486