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 1alh_1_B DATA FIRST_RESID 4 DATA SEQUENCE MPVLENRAAQ GDITAPGGAR RLTGDQTAAL RDSLSDKPAK NIILLIGDGM DATA SEQUENCE GDSEITAARN YAEGAGGFFK GIDALPLTGQ YTHYALNKKT GKPDYVTDSA DATA SEQUENCE ASATAWSTGV KTYNGALGVD IHEKDHPTIL EMAKAAGLAT GNVSTAELQD DATA SEQUENCE ATPAALVAHV TSRKcYGPSA TSEKcPGNAL EKGGKGSITE QLLNARADVT DATA SEQUENCE LGGGAKTFAE TATAGEWQGK TLREQAEARG YQLVSDAASL NSVTEANQQK DATA SEQUENCE PLLGLFADGN MPVRWLGPKA TYHGNIDKPA VTcTPNPQRN DSVPTLAQMT DATA SEQUENCE DKAIELLSKN EKGFFLQVEG ASIDKQDHAA NPcGQIGETV DLDEAVQRAL DATA SEQUENCE EFAKKEGNTL VIVTANHAHA SQIVAPDTKA PGLTQALNTK DGAVMVMSYG DATA SEQUENCE NSEEDSQEHT GSQLRIAAYG PHAANVVGLT DQTDLFYTMK AALGLK 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.466 176.300 0.277 0.000 1.140 4 M CA 0.000 55.364 55.300 0.107 0.000 0.988 4 M CB 0.000 32.554 32.600 -0.076 0.000 1.302 5 P HA 0.174 nan 4.420 nan 0.000 0.271 5 P C -1.165 176.242 177.300 0.178 0.000 1.216 5 P CA -0.116 63.072 63.100 0.148 0.000 0.771 5 P CB 0.243 31.992 31.700 0.082 0.000 0.864 6 V N 1.340 121.272 119.914 0.031 0.000 2.716 6 V HA 0.198 nan 4.120 nan 0.000 0.304 6 V C 0.324 176.431 176.094 0.022 0.000 1.053 6 V CA -1.255 61.001 62.300 -0.072 0.000 0.984 6 V CB 1.913 33.595 31.823 -0.236 0.000 1.021 6 V HN 0.201 8.398 8.190 0.012 0.000 0.467 7 L N 5.919 127.185 121.223 0.072 0.000 2.456 7 L HA -0.129 nan 4.340 nan 0.000 0.277 7 L C 0.125 177.075 176.870 0.132 0.000 1.124 7 L CA 0.025 54.922 54.840 0.096 0.000 0.880 7 L CB -1.015 41.143 42.059 0.165 0.000 1.192 7 L HN 0.277 8.553 8.230 0.076 0.000 0.463 8 E N 5.043 125.256 120.200 0.022 0.000 2.112 8 E HA -0.122 nan 4.350 nan 0.000 0.190 8 E C -0.411 176.148 176.600 -0.068 0.000 0.979 8 E CA 1.415 57.832 56.400 0.028 0.000 0.814 8 E CB 0.605 30.299 29.700 -0.010 0.000 0.762 8 E HN 0.471 8.820 8.360 -0.018 0.000 0.460 9 N N -1.534 116.951 118.700 -0.357 0.000 2.616 9 N HA -0.011 nan 4.740 nan 0.000 0.281 9 N C -2.032 172.993 175.510 -0.808 0.000 1.145 9 N CA 0.274 52.900 53.050 -0.707 0.000 0.919 9 N CB 1.025 39.330 38.487 -0.304 0.000 1.509 9 N HN -0.316 7.899 8.380 -0.275 0.000 0.537 10 R N 3.016 122.662 120.500 -1.422 0.000 2.816 10 R HA 0.201 nan 4.340 nan 0.000 0.382 10 R C -0.984 175.081 176.300 -0.393 0.000 1.140 10 R CA -1.181 54.529 56.100 -0.650 0.000 1.050 10 R CB -0.568 29.522 30.300 -0.351 0.000 1.396 10 R HN 0.203 6.606 8.270 -3.111 0.000 0.583 11 A N -0.548 122.063 122.820 -0.347 0.000 2.271 11 A HA 0.466 nan 4.320 nan 0.000 0.288 11 A C -0.989 176.546 177.584 -0.082 0.000 1.094 11 A CA -1.641 50.339 52.037 -0.094 0.000 0.828 11 A CB 1.132 20.106 19.000 -0.044 0.000 1.091 11 A HN 0.068 8.249 8.150 -0.416 -0.280 0.493 12 A N 0.909 123.705 122.820 -0.040 0.000 2.545 12 A HA -0.180 nan 4.320 nan 0.000 0.253 12 A C 0.329 177.887 177.584 -0.044 0.000 1.074 12 A CA 0.584 52.599 52.037 -0.037 0.000 0.760 12 A CB 0.123 19.109 19.000 -0.024 0.000 1.005 12 A HN 0.150 8.176 8.150 -0.020 0.112 0.506 13 Q N 3.460 123.232 119.800 -0.047 0.000 2.437 13 Q HA -0.097 nan 4.340 nan 0.000 0.210 13 Q C 0.532 176.511 176.000 -0.035 0.000 0.972 13 Q CA 0.710 56.484 55.803 -0.047 0.000 0.903 13 Q CB 0.433 29.143 28.738 -0.047 0.000 0.967 13 Q HN 0.542 8.785 8.270 -0.045 0.000 0.486 14 G N -0.938 107.845 108.800 -0.029 0.000 3.008 14 G HA2 0.021 nan 3.960 nan 0.000 0.148 14 G HA3 0.021 nan 3.960 nan 0.000 0.148 14 G C -2.555 172.333 174.900 -0.021 0.000 1.184 14 G CA -0.001 45.084 45.100 -0.023 0.000 1.087 14 G HN -0.192 8.034 8.290 -0.028 0.047 0.602 15 D N 1.278 121.668 120.400 -0.018 0.000 2.316 15 D HA 0.144 nan 4.640 nan 0.000 0.245 15 D C 1.556 177.847 176.300 -0.015 0.000 1.171 15 D CA -1.327 52.664 54.000 -0.016 0.000 0.856 15 D CB 0.181 40.973 40.800 -0.014 0.000 1.090 15 D HN -0.137 8.222 8.370 -0.017 0.000 0.476 16 I N 4.920 125.481 120.570 -0.015 0.000 2.399 16 I HA -0.346 nan 4.170 nan 0.000 0.254 16 I C 0.665 176.775 176.117 -0.012 0.000 1.146 16 I CA 1.911 63.203 61.300 -0.014 0.000 1.412 16 I CB -0.958 37.033 38.000 -0.015 0.000 1.076 16 I HN 0.467 8.667 8.210 -0.017 0.000 0.432 17 T N -6.711 107.836 114.554 -0.012 0.000 3.065 17 T HA 0.057 nan 4.350 nan 0.000 0.252 17 T C 0.321 175.015 174.700 -0.009 0.000 1.099 17 T CA -0.069 62.025 62.100 -0.010 0.000 1.063 17 T CB 0.721 69.583 68.868 -0.010 0.000 0.948 17 T HN -0.687 7.749 8.240 -0.013 -0.203 0.506 18 A N 2.844 125.658 122.820 -0.010 0.000 2.282 18 A HA 0.473 nan 4.320 nan 0.000 0.319 18 A C -2.614 174.964 177.584 -0.010 0.000 1.121 18 A CA -2.588 49.443 52.037 -0.010 0.000 0.836 18 A CB -0.317 18.676 19.000 -0.011 0.000 1.146 18 A HN -0.261 7.714 8.150 -0.011 0.168 0.494 19 P HA -0.190 nan 4.420 nan 0.000 0.261 19 P C 0.237 177.531 177.300 -0.010 0.000 1.183 19 P CA 1.221 64.316 63.100 -0.008 0.000 0.761 19 P CB 0.020 31.715 31.700 -0.008 0.000 0.785 20 G N 5.314 114.107 108.800 -0.010 0.000 2.196 20 G HA2 -0.264 nan 3.960 nan 0.000 0.268 20 G HA3 -0.264 nan 3.960 nan 0.000 0.268 20 G C 1.354 176.245 174.900 -0.015 0.000 0.975 20 G CA 0.566 45.659 45.100 -0.012 0.000 0.648 20 G HN 0.204 8.489 8.290 -0.009 0.000 0.538 21 G N 0.369 109.161 108.800 -0.014 0.000 2.484 21 G HA2 -0.297 nan 3.960 nan 0.000 0.218 21 G HA3 -0.297 nan 3.960 nan 0.000 0.218 21 G C -0.668 174.221 174.900 -0.018 0.000 1.130 21 G CA 1.291 46.381 45.100 -0.017 0.000 0.784 21 G HN 0.053 8.156 8.290 -0.013 0.179 0.543 22 A N -1.738 121.072 122.820 -0.016 0.000 2.275 22 A HA 0.174 nan 4.320 nan 0.000 0.212 22 A C 0.038 177.612 177.584 -0.017 0.000 1.201 22 A CA -1.031 50.997 52.037 -0.015 0.000 0.843 22 A CB -0.447 18.547 19.000 -0.010 0.000 0.873 22 A HN 0.004 8.110 8.150 -0.014 0.036 0.492 23 R N -0.436 120.052 120.500 -0.020 0.000 2.570 23 R HA -0.160 nan 4.340 nan 0.000 0.277 23 R C 0.978 177.258 176.300 -0.034 0.000 1.039 23 R CA 0.634 56.721 56.100 -0.022 0.000 1.065 23 R CB 0.315 30.601 30.300 -0.023 0.000 0.964 23 R HN -0.697 7.388 8.270 -0.019 0.174 0.428 24 R N 1.361 121.840 120.500 -0.035 0.000 2.290 24 R HA -0.039 nan 4.340 nan 0.000 0.197 24 R C -0.558 175.699 176.300 -0.071 0.000 0.913 24 R CA 0.839 56.904 56.100 -0.059 0.000 1.040 24 R CB 0.579 30.854 30.300 -0.040 0.000 0.992 24 R HN 0.307 8.562 8.270 -0.024 0.000 0.500 25 L N -2.173 119.021 121.223 -0.048 0.000 2.331 25 L HA 0.249 nan 4.340 nan 0.000 0.275 25 L C 0.383 177.228 176.870 -0.042 0.000 1.022 25 L CA -0.917 53.896 54.840 -0.044 0.000 0.812 25 L CB 1.576 43.620 42.059 -0.026 0.000 1.257 25 L HN -0.767 7.386 8.230 -0.037 0.055 0.435 26 T N -2.841 111.687 114.554 -0.042 0.000 2.985 26 T HA 0.232 nan 4.350 nan 0.000 0.254 26 T C 0.754 175.438 174.700 -0.026 0.000 1.021 26 T CA -0.365 61.713 62.100 -0.036 0.000 0.957 26 T CB 0.680 69.522 68.868 -0.042 0.000 1.047 26 T HN 0.668 8.880 8.240 -0.046 0.000 0.511 27 G N 1.256 110.042 108.800 -0.022 0.000 2.561 27 G HA2 0.060 nan 3.960 nan 0.000 0.310 27 G HA3 0.060 nan 3.960 nan 0.000 0.310 27 G C -2.591 172.302 174.900 -0.012 0.000 1.292 27 G CA 0.088 45.179 45.100 -0.016 0.000 0.811 27 G HN -0.600 7.675 8.290 -0.024 0.000 0.482 28 D N -0.415 119.980 120.400 -0.009 0.000 2.350 28 D HA 0.036 nan 4.640 nan 0.000 0.249 28 D C 0.932 177.230 176.300 -0.004 0.000 1.119 28 D CA 0.040 54.036 54.000 -0.005 0.000 0.886 28 D CB 1.131 41.928 40.800 -0.004 0.000 1.195 28 D HN -0.106 8.259 8.370 -0.009 0.000 0.437 29 Q N 4.085 123.884 119.800 -0.001 0.000 2.360 29 Q HA 0.150 nan 4.340 nan 0.000 0.202 29 Q C 1.071 177.073 176.000 0.004 0.000 0.915 29 Q CA 0.464 56.268 55.803 0.002 0.000 0.943 29 Q CB 0.037 28.777 28.738 0.005 0.000 1.064 29 Q HN 0.468 8.737 8.270 -0.001 0.000 0.511 30 T N 3.246 117.801 114.554 0.002 0.000 2.720 30 T HA -0.338 nan 4.350 nan 0.000 0.268 30 T C 1.068 175.769 174.700 0.002 0.000 1.037 30 T CA 4.517 66.618 62.100 0.002 0.000 1.144 30 T CB -0.494 68.374 68.868 0.001 0.000 0.864 30 T HN -0.381 8.036 8.240 0.001 -0.177 0.444 31 A N 0.047 122.868 122.820 0.001 0.000 1.898 31 A HA -0.249 nan 4.320 nan 0.000 0.216 31 A C 1.203 178.789 177.584 0.004 0.000 1.181 31 A CA 3.029 55.067 52.037 0.001 0.000 0.620 31 A CB -0.882 18.118 19.000 -0.000 0.000 0.819 31 A HN 0.251 8.401 8.150 0.000 0.000 0.442 32 A N -1.323 121.501 122.820 0.007 0.000 1.902 32 A HA -0.246 nan 4.320 nan 0.000 0.217 32 A C 2.117 179.712 177.584 0.019 0.000 1.181 32 A CA 2.737 54.783 52.037 0.015 0.000 0.623 32 A CB -0.793 18.217 19.000 0.017 0.000 0.818 32 A HN -0.188 7.966 8.150 0.005 0.000 0.443 33 L N -1.832 119.400 121.223 0.015 0.000 2.046 33 L HA -0.315 nan 4.340 nan 0.000 0.208 33 L C 2.838 179.709 176.870 0.002 0.000 1.077 33 L CA 3.071 57.919 54.840 0.013 0.000 0.747 33 L CB -0.323 41.743 42.059 0.011 0.000 0.896 33 L HN 0.040 8.277 8.230 0.012 0.000 0.432 34 R N -0.532 119.967 120.500 -0.002 0.000 2.091 34 R HA -0.372 nan 4.340 nan 0.000 0.238 34 R C 2.508 178.800 176.300 -0.013 0.000 1.136 34 R CA 3.625 59.720 56.100 -0.009 0.000 0.959 34 R CB -0.329 29.966 30.300 -0.008 0.000 0.856 34 R HN 0.092 8.363 8.270 0.001 0.000 0.437 35 D N -0.741 119.655 120.400 -0.006 0.000 2.371 35 D HA -0.030 nan 4.640 nan 0.000 0.221 35 D C 0.907 177.200 176.300 -0.012 0.000 0.986 35 D CA 2.212 56.208 54.000 -0.007 0.000 0.899 35 D CB -0.765 40.039 40.800 0.006 0.000 0.902 35 D HN -0.137 8.234 8.370 0.001 0.000 0.530 36 S N -1.330 114.363 115.700 -0.010 0.000 2.558 36 S HA -0.023 nan 4.470 nan 0.000 0.217 36 S C -0.893 173.666 174.600 -0.069 0.000 0.975 36 S CA 1.338 59.523 58.200 -0.026 0.000 0.912 36 S CB 0.905 64.113 63.200 0.014 0.000 0.776 36 S HN -0.436 7.678 8.310 -0.003 0.194 0.526 37 L N 1.319 122.505 121.223 -0.062 0.000 2.262 37 L HA 0.140 nan 4.340 nan 0.000 0.288 37 L C -1.108 175.703 176.870 -0.098 0.000 1.035 37 L CA -0.308 54.484 54.840 -0.079 0.000 0.820 37 L CB 0.280 42.305 42.059 -0.057 0.000 1.204 37 L HN -0.918 7.226 8.230 -0.046 0.058 0.424 38 S N 2.850 118.468 115.700 -0.136 0.000 2.575 38 S HA 0.286 nan 4.470 nan 0.000 0.278 38 S C -0.540 173.912 174.600 -0.246 0.000 1.139 38 S CA -1.507 56.603 58.200 -0.150 0.000 0.954 38 S CB 1.911 65.035 63.200 -0.128 0.000 1.054 38 S HN 0.233 8.453 8.310 -0.150 0.000 0.483 39 D N 4.333 124.580 120.400 -0.254 0.000 2.369 39 D HA 0.084 nan 4.640 nan 0.000 0.211 39 D C -0.098 176.064 176.300 -0.230 0.000 1.077 39 D CA -1.258 52.476 54.000 -0.443 0.000 0.842 39 D CB -0.341 40.297 40.800 -0.269 0.000 0.947 39 D HN 0.423 8.692 8.370 -0.168 0.000 0.509 40 K N 1.091 121.440 120.400 -0.085 0.000 2.286 40 K HA 0.032 nan 4.320 nan 0.000 0.256 40 K C -1.917 174.774 176.600 0.151 0.000 0.999 40 K CA -1.111 55.192 56.287 0.025 0.000 0.908 40 K CB -0.909 31.586 32.500 -0.008 0.000 0.981 40 K HN -0.738 7.385 8.250 -0.112 0.060 0.500 41 P HA -0.086 nan 4.420 nan 0.000 0.271 41 P C -1.788 175.533 177.300 0.034 0.000 1.218 41 P CA -0.047 63.097 63.100 0.074 0.000 0.780 41 P CB 0.343 32.053 31.700 0.018 0.000 0.901 42 A N 2.547 125.358 122.820 -0.015 0.000 2.289 42 A HA 0.160 nan 4.320 nan 0.000 0.298 42 A C -0.521 177.027 177.584 -0.060 0.000 1.208 42 A CA -1.326 50.689 52.037 -0.036 0.000 0.845 42 A CB 1.012 19.979 19.000 -0.055 0.000 1.125 42 A HN 0.332 8.336 8.150 -0.079 0.099 0.517 43 K N 3.745 124.107 120.400 -0.063 0.000 2.167 43 K HA -0.186 nan 4.320 nan 0.000 0.203 43 K C -0.455 176.069 176.600 -0.126 0.000 1.052 43 K CA 1.760 58.009 56.287 -0.064 0.000 0.956 43 K CB 0.673 33.149 32.500 -0.040 0.000 0.735 43 K HN 0.440 8.654 8.250 -0.060 0.000 0.451 44 N N -4.131 114.446 118.700 -0.204 0.000 2.357 44 N HA 0.497 nan 4.740 nan 0.000 0.284 44 N C -2.164 173.172 175.510 -0.290 0.000 1.236 44 N CA -0.342 52.444 53.050 -0.440 0.000 0.774 44 N CB 4.343 42.276 38.487 -0.923 0.000 1.534 44 N HN -0.700 7.565 8.380 -0.153 0.023 0.478 45 I N 0.214 120.619 120.570 -0.275 0.000 2.619 45 I HA 0.672 nan 4.170 nan 0.000 0.292 45 I C -1.818 174.180 176.117 -0.197 0.000 1.100 45 I CA -0.750 60.479 61.300 -0.120 0.000 1.043 45 I CB 3.921 41.966 38.000 0.074 0.000 1.239 45 I HN 0.637 8.630 8.210 -0.362 0.000 0.420 46 I N 4.929 125.425 120.570 -0.124 0.000 2.439 46 I HA 0.556 nan 4.170 nan 0.000 0.285 46 I C -2.077 173.957 176.117 -0.139 0.000 1.021 46 I CA -1.131 60.093 61.300 -0.126 0.000 1.091 46 I CB 2.494 40.500 38.000 0.011 0.000 1.242 46 I HN 0.582 8.752 8.210 -0.067 0.000 0.439 47 L N 7.073 128.164 121.223 -0.220 0.000 2.287 47 L HA 0.735 nan 4.340 nan 0.000 0.287 47 L C -2.321 174.448 176.870 -0.169 0.000 1.022 47 L CA -1.446 53.293 54.840 -0.169 0.000 0.814 47 L CB 2.337 44.316 42.059 -0.133 0.000 1.217 47 L HN 0.657 8.687 8.230 -0.333 0.000 0.420 48 L N 5.870 126.996 121.223 -0.162 0.000 2.287 48 L HA 0.732 nan 4.340 nan 0.000 0.287 48 L C -1.553 175.199 176.870 -0.196 0.000 1.022 48 L CA -1.198 53.550 54.840 -0.153 0.000 0.814 48 L CB 0.955 42.933 42.059 -0.134 0.000 1.217 48 L HN 0.898 9.032 8.230 -0.160 0.000 0.420 49 I N 3.466 123.926 120.570 -0.184 0.000 2.406 49 I HA 0.519 nan 4.170 nan 0.000 0.290 49 I C -1.099 174.935 176.117 -0.138 0.000 0.999 49 I CA -2.056 59.113 61.300 -0.217 0.000 1.124 49 I CB 2.256 40.110 38.000 -0.244 0.000 1.289 49 I HN 0.851 8.979 8.210 -0.137 0.000 0.441 50 G N 6.251 114.967 108.800 -0.139 0.000 2.329 50 G HA2 0.144 nan 3.960 nan 0.000 0.309 50 G HA3 0.144 nan 3.960 nan 0.000 0.309 50 G C -1.587 173.273 174.900 -0.067 0.000 1.110 50 G CA -1.510 43.530 45.100 -0.100 0.000 0.923 50 G HN 0.831 9.022 8.290 -0.164 0.000 0.430 51 D N 7.878 128.261 120.400 -0.028 0.000 2.358 51 D HA -0.236 nan 4.640 nan 0.000 0.258 51 D C 0.652 176.998 176.300 0.075 0.000 1.223 51 D CA 0.491 54.488 54.000 -0.005 0.000 0.886 51 D CB 0.513 41.342 40.800 0.049 0.000 1.120 51 D HN -0.085 8.272 8.370 -0.023 0.000 0.482 52 G N 5.316 114.163 108.800 0.079 0.000 2.148 52 G HA2 -0.452 nan 3.960 nan 0.000 0.254 52 G HA3 -0.452 nan 3.960 nan 0.000 0.254 52 G C -0.319 174.692 174.900 0.184 0.000 0.981 52 G CA 0.480 45.765 45.100 0.309 0.000 0.670 52 G HN 0.706 9.249 8.290 -0.100 -0.314 0.528 53 M N 2.850 122.489 119.600 0.065 0.000 3.436 53 M HA -0.010 nan 4.480 nan 0.000 0.240 53 M C -1.060 175.263 176.300 0.039 0.000 1.469 53 M CA -0.811 54.506 55.300 0.028 0.000 1.622 53 M CB -1.035 31.543 32.600 -0.036 0.000 1.098 53 M HN -0.665 7.504 8.290 0.020 0.133 0.568 54 G N 0.911 109.763 108.800 0.087 0.000 2.588 54 G HA2 0.065 nan 3.960 nan 0.000 0.278 54 G HA3 0.065 nan 3.960 nan 0.000 0.278 54 G C -0.639 174.304 174.900 0.072 0.000 1.307 54 G CA -1.485 43.673 45.100 0.097 0.000 1.016 54 G HN -0.357 8.065 8.290 0.119 -0.061 0.503 55 D N 0.395 120.841 120.400 0.076 0.000 2.149 55 D HA -0.369 nan 4.640 nan 0.000 0.198 55 D C 2.083 178.421 176.300 0.064 0.000 0.990 55 D CA 4.513 58.552 54.000 0.065 0.000 0.839 55 D CB -0.143 40.697 40.800 0.065 0.000 0.948 55 D HN 0.390 8.815 8.370 0.092 0.000 0.460 56 S N 0.051 115.788 115.700 0.063 0.000 2.370 56 S HA -0.327 nan 4.470 nan 0.000 0.226 56 S C 1.950 176.579 174.600 0.048 0.000 1.033 56 S CA 3.532 61.761 58.200 0.048 0.000 1.011 56 S CB -0.156 63.067 63.200 0.038 0.000 0.852 56 S HN 0.158 8.503 8.310 0.071 0.008 0.457 57 E N 1.264 121.495 120.200 0.053 0.000 2.072 57 E HA -0.253 nan 4.350 nan 0.000 0.191 57 E C 2.422 179.065 176.600 0.073 0.000 0.985 57 E CA 3.000 59.429 56.400 0.048 0.000 0.801 57 E CB -0.383 29.341 29.700 0.040 0.000 0.750 57 E HN -0.662 7.644 8.360 0.061 0.091 0.452 58 I N -0.386 120.230 120.570 0.077 0.000 2.179 58 I HA -0.547 nan 4.170 nan 0.000 0.242 58 I C 1.879 178.106 176.117 0.184 0.000 1.088 58 I CA 4.391 65.769 61.300 0.131 0.000 1.357 58 I CB -0.321 37.737 38.000 0.097 0.000 1.051 58 I HN -0.189 8.059 8.210 0.062 0.000 0.409 59 T N 1.893 116.517 114.554 0.117 0.000 2.708 59 T HA -0.352 nan 4.350 nan 0.000 0.266 59 T C 1.576 176.336 174.700 0.099 0.000 1.037 59 T CA 5.119 67.275 62.100 0.094 0.000 1.146 59 T CB -0.724 68.182 68.868 0.064 0.000 0.865 59 T HN 0.094 8.389 8.240 0.092 0.000 0.435 60 A N 0.767 123.645 122.820 0.097 0.000 1.883 60 A HA -0.319 nan 4.320 nan 0.000 0.217 60 A C 1.513 179.199 177.584 0.171 0.000 1.186 60 A CA 3.142 55.242 52.037 0.106 0.000 0.624 60 A CB -0.822 18.220 19.000 0.071 0.000 0.822 60 A HN 0.124 8.323 8.150 0.082 0.000 0.444 61 A N -2.000 120.945 122.820 0.209 0.000 1.930 61 A HA -0.306 nan 4.320 nan 0.000 0.217 61 A C 1.862 179.644 177.584 0.330 0.000 1.175 61 A CA 2.968 55.198 52.037 0.321 0.000 0.627 61 A CB -0.871 18.337 19.000 0.347 0.000 0.815 61 A HN -0.056 8.203 8.150 0.181 0.000 0.443 62 R N -1.277 119.322 120.500 0.165 0.000 2.066 62 R HA -0.361 nan 4.340 nan 0.000 0.232 62 R C 2.344 178.570 176.300 -0.124 0.000 1.131 62 R CA 3.547 59.471 56.100 -0.293 0.000 0.955 62 R CB -0.031 30.124 30.300 -0.242 0.000 0.851 62 R HN 0.067 8.490 8.270 0.255 0.000 0.432 63 N N -0.873 117.832 118.700 0.009 0.000 2.069 63 N HA -0.342 nan 4.740 nan 0.000 0.191 63 N C 2.181 177.726 175.510 0.058 0.000 1.031 63 N CA 3.051 56.117 53.050 0.027 0.000 0.852 63 N CB -0.431 38.092 38.487 0.061 0.000 1.018 63 N HN 0.008 8.416 8.380 0.046 0.000 0.423 64 Y N 0.437 120.763 120.300 0.043 0.000 2.153 64 Y HA -0.343 nan 4.550 nan 0.000 0.289 64 Y C 1.153 177.100 175.900 0.079 0.000 1.127 64 Y CA 3.678 61.823 58.100 0.076 0.000 1.131 64 Y CB 0.559 39.108 38.460 0.149 0.000 0.995 64 Y HN -0.167 8.280 8.280 0.277 0.000 0.505 65 A N -3.751 119.232 122.820 0.272 0.000 1.975 65 A HA -0.104 nan 4.320 nan 0.000 0.215 65 A C 1.478 179.064 177.584 0.003 0.000 1.170 65 A CA 2.904 55.071 52.037 0.217 0.000 0.656 65 A CB 0.006 19.265 19.000 0.432 0.000 0.821 65 A HN 0.177 8.535 8.150 0.346 0.000 0.449 66 E N -6.394 113.732 120.200 -0.123 0.000 2.514 66 E HA 0.158 nan 4.350 nan 0.000 0.215 66 E C 0.481 177.008 176.600 -0.121 0.000 0.946 66 E CA -1.114 55.190 56.400 -0.161 0.000 1.038 66 E CB 2.200 31.703 29.700 -0.329 0.000 1.069 66 E HN -0.011 8.159 8.360 -0.143 0.104 0.503 67 G N -1.820 106.914 108.800 -0.110 0.000 2.690 67 G HA2 -0.285 nan 3.960 nan 0.000 0.686 67 G HA3 -0.285 nan 3.960 nan 0.000 0.686 67 G C -0.105 174.755 174.900 -0.067 0.000 1.277 67 G CA -0.466 44.586 45.100 -0.080 0.000 0.799 67 G HN -0.420 7.804 8.290 -0.109 0.000 0.613 68 A N 1.820 124.616 122.820 -0.041 0.000 1.940 68 A HA -0.224 nan 4.320 nan 0.000 0.219 68 A C 1.248 178.819 177.584 -0.021 0.000 1.176 68 A CA 3.214 55.236 52.037 -0.025 0.000 0.631 68 A CB 0.079 19.071 19.000 -0.012 0.000 0.814 68 A HN 0.233 8.661 8.150 -0.038 -0.301 0.446 69 G N -3.891 104.896 108.800 -0.022 0.000 3.314 69 G HA2 0.105 nan 3.960 nan 0.000 0.238 69 G HA3 0.105 nan 3.960 nan 0.000 0.238 69 G C -0.733 174.162 174.900 -0.008 0.000 1.184 69 G CA -1.256 43.836 45.100 -0.013 0.000 0.806 69 G HN 0.356 8.630 8.290 -0.027 0.000 0.536 70 G N -0.392 108.392 108.800 -0.027 0.000 2.563 70 G HA2 0.206 nan 3.960 nan 0.000 0.283 70 G HA3 0.206 nan 3.960 nan 0.000 0.283 70 G C -3.094 171.839 174.900 0.054 0.000 1.309 70 G CA -1.651 43.436 45.100 -0.022 0.000 1.022 70 G HN -0.294 7.787 8.290 -0.048 0.181 0.501 71 F N -1.982 117.876 119.950 -0.153 0.000 2.596 71 F HA 0.462 nan 4.527 nan 0.000 0.311 71 F C -2.313 173.439 175.800 -0.080 0.000 1.116 71 F CA -1.820 56.125 58.000 -0.092 0.000 0.957 71 F CB 3.723 42.706 39.000 -0.030 0.000 1.250 71 F HN -0.199 8.127 8.300 0.044 0.000 0.444 72 F N 6.958 126.605 119.950 -0.505 0.000 2.404 72 F HA 0.327 nan 4.527 nan 0.000 0.358 72 F C 0.482 175.764 175.800 -0.863 0.000 1.120 72 F CA -1.143 56.581 58.000 -0.460 0.000 1.144 72 F CB 0.498 39.320 39.000 -0.297 0.000 1.133 72 F HN 0.339 8.674 8.300 -0.413 -0.282 0.495 73 K N 5.574 125.774 120.400 -0.334 0.000 2.209 73 K HA -0.270 nan 4.320 nan 0.000 0.204 73 K C 0.628 177.090 176.600 -0.231 0.000 1.048 73 K CA 1.733 57.843 56.287 -0.296 0.000 0.940 73 K CB -0.635 31.857 32.500 -0.013 0.000 0.729 73 K HN 0.501 8.709 8.250 -0.070 0.000 0.451 74 G N -2.634 106.053 108.800 -0.187 0.000 2.695 74 G HA2 0.131 nan 3.960 nan 0.000 0.219 74 G HA3 0.131 nan 3.960 nan 0.000 0.219 74 G C 1.041 175.827 174.900 -0.190 0.000 1.295 74 G CA 0.120 45.119 45.100 -0.168 0.000 0.882 74 G HN -0.623 7.766 8.290 -0.141 -0.184 0.570 75 I N 2.309 122.747 120.570 -0.222 0.000 2.185 75 I HA -0.604 nan 4.170 nan 0.000 0.246 75 I C 1.066 177.116 176.117 -0.112 0.000 1.088 75 I CA 3.848 65.036 61.300 -0.186 0.000 1.347 75 I CB -0.067 37.765 38.000 -0.281 0.000 1.041 75 I HN -0.240 8.071 8.210 -0.278 -0.267 0.415 76 D N -2.489 117.814 120.400 -0.162 0.000 2.350 76 D HA 0.022 nan 4.640 nan 0.000 0.213 76 D C 0.986 177.306 176.300 0.033 0.000 1.031 76 D CA 1.517 55.471 54.000 -0.077 0.000 0.861 76 D CB -0.358 40.381 40.800 -0.101 0.000 0.926 76 D HN -0.377 7.807 8.370 -0.274 0.022 0.520 77 A N -0.491 122.289 122.820 -0.067 0.000 2.206 77 A HA -0.003 nan 4.320 nan 0.000 0.211 77 A C -0.684 176.952 177.584 0.087 0.000 1.158 77 A CA 0.622 52.740 52.037 0.136 0.000 0.761 77 A CB 0.361 19.392 19.000 0.053 0.000 0.801 77 A HN -0.307 7.565 8.150 -0.185 0.167 0.473 78 L N -0.940 120.313 121.223 0.049 0.000 2.360 78 L HA 0.053 nan 4.340 nan 0.000 0.276 78 L C -1.528 175.402 176.870 0.100 0.000 1.121 78 L CA -1.889 52.994 54.840 0.072 0.000 0.845 78 L CB -0.191 41.895 42.059 0.044 0.000 1.143 78 L HN -0.790 7.394 8.230 0.022 0.059 0.452 79 P HA -0.059 nan 4.420 nan 0.000 0.220 79 P C -0.958 176.387 177.300 0.076 0.000 1.152 79 P CA 1.089 64.255 63.100 0.109 0.000 0.812 79 P CB 0.483 32.263 31.700 0.133 0.000 0.792 80 L N 0.168 121.432 121.223 0.067 0.000 2.282 80 L HA 0.323 nan 4.340 nan 0.000 0.288 80 L C -1.089 175.798 176.870 0.027 0.000 1.033 80 L CA -0.771 54.093 54.840 0.039 0.000 0.807 80 L CB -0.287 41.787 42.059 0.025 0.000 1.209 80 L HN -0.685 7.596 8.230 0.086 0.000 0.423 81 T N -0.863 113.704 114.554 0.022 0.000 2.900 81 T HA 0.753 nan 4.350 nan 0.000 0.295 81 T C -1.191 173.515 174.700 0.010 0.000 1.044 81 T CA -2.128 59.978 62.100 0.010 0.000 0.995 81 T CB 3.688 72.569 68.868 0.021 0.000 1.072 81 T HN 0.261 8.516 8.240 0.026 0.000 0.473 82 G N 0.599 109.398 108.800 -0.002 0.000 2.749 82 G HA2 0.581 nan 3.960 nan 0.000 0.300 82 G HA3 0.581 nan 3.960 nan 0.000 0.300 82 G C -2.955 171.954 174.900 0.015 0.000 1.352 82 G CA 0.072 45.182 45.100 0.016 0.000 0.789 82 G HN 0.445 8.719 8.290 -0.027 0.000 0.509 83 Q N -1.208 118.628 119.800 0.059 0.000 2.323 83 Q HA 0.928 nan 4.340 nan 0.000 0.271 83 Q C -1.654 174.468 176.000 0.203 0.000 1.048 83 Q CA -1.306 54.557 55.803 0.101 0.000 0.792 83 Q CB 3.709 32.509 28.738 0.103 0.000 1.280 83 Q HN 0.021 8.336 8.270 0.074 0.000 0.441 84 Y N 1.420 121.773 120.300 0.090 0.000 2.524 84 Y HA 0.874 nan 4.550 nan 0.000 0.344 84 Y C -1.760 174.206 175.900 0.110 0.000 1.012 84 Y CA -3.788 54.372 58.100 0.099 0.000 1.068 84 Y CB 2.656 41.178 38.460 0.102 0.000 1.249 84 Y HN 0.722 9.209 8.280 0.346 0.000 0.468 85 T N -1.800 112.830 114.554 0.126 0.000 2.922 85 T HA 0.398 nan 4.350 nan 0.000 0.285 85 T C -0.930 173.646 174.700 -0.207 0.000 1.005 85 T CA -2.040 60.045 62.100 -0.024 0.000 1.061 85 T CB 0.869 69.811 68.868 0.123 0.000 1.007 85 T HN 0.465 8.784 8.240 0.133 0.000 0.502 86 H N -0.951 118.089 119.070 -0.050 0.000 2.907 86 H HA 0.381 nan 4.556 nan 0.000 0.233 86 H C -1.326 173.952 175.328 -0.084 0.000 1.285 86 H CA -2.039 53.902 56.048 -0.178 0.000 0.981 86 H CB -0.417 29.273 29.762 -0.120 0.000 2.255 86 H HN 0.386 8.304 8.280 -0.602 0.000 0.601 87 Y N -2.581 117.702 120.300 -0.028 0.000 2.457 87 Y HA 0.070 nan 4.550 nan 0.000 0.341 87 Y C -1.558 174.335 175.900 -0.012 0.000 1.240 87 Y CA -1.500 56.601 58.100 0.001 0.000 1.437 87 Y CB -0.309 38.124 38.460 -0.044 0.000 1.328 87 Y HN -0.584 7.639 8.280 -0.094 0.000 0.588 88 A N 0.500 123.384 122.820 0.107 0.000 2.420 88 A HA 0.853 nan 4.320 nan 0.000 0.291 88 A C -1.856 175.766 177.584 0.063 0.000 1.228 88 A CA -2.061 49.989 52.037 0.022 0.000 0.933 88 A CB 2.260 21.278 19.000 0.030 0.000 1.428 88 A HN 0.763 9.005 8.150 0.155 0.000 0.493 89 L N -3.928 117.313 121.223 0.031 0.000 2.341 89 L HA 0.485 nan 4.340 nan 0.000 0.267 89 L C -1.670 175.217 176.870 0.029 0.000 1.009 89 L CA -1.537 53.319 54.840 0.026 0.000 0.819 89 L CB 3.012 45.082 42.059 0.019 0.000 1.323 89 L HN 0.097 8.339 8.230 0.020 0.000 0.425 90 N N 0.810 119.506 118.700 -0.007 0.000 2.458 90 N HA 0.034 nan 4.740 nan 0.000 0.270 90 N C 0.387 175.885 175.510 -0.020 0.000 1.102 90 N CA -0.372 52.674 53.050 -0.007 0.000 0.967 90 N CB 2.014 40.484 38.487 -0.028 0.000 1.078 90 N HN 0.294 8.658 8.380 -0.026 0.000 0.471 91 K N 6.739 127.114 120.400 -0.043 0.000 2.057 91 K HA -0.262 nan 4.320 nan 0.000 0.207 91 K C 1.134 177.657 176.600 -0.128 0.000 1.049 91 K CA 2.971 59.167 56.287 -0.151 0.000 0.931 91 K CB 0.116 32.384 32.500 -0.386 0.000 0.714 91 K HN 0.543 8.780 8.250 -0.021 0.000 0.440 92 K N -2.930 117.414 120.400 -0.092 0.000 2.025 92 K HA -0.104 nan 4.320 nan 0.000 0.207 92 K C 1.870 178.446 176.600 -0.038 0.000 1.049 92 K CA 2.012 58.261 56.287 -0.063 0.000 0.933 92 K CB -0.040 32.432 32.500 -0.047 0.000 0.714 92 K HN -0.110 8.298 8.250 -0.080 -0.206 0.438 93 T N -7.795 106.740 114.554 -0.032 0.000 3.037 93 T HA 0.258 nan 4.350 nan 0.000 0.252 93 T C 1.453 176.143 174.700 -0.017 0.000 1.073 93 T CA -0.490 61.599 62.100 -0.019 0.000 1.091 93 T CB 0.718 69.577 68.868 -0.015 0.000 0.935 93 T HN -0.405 8.103 8.240 -0.035 -0.289 0.488 94 G N 2.720 111.503 108.800 -0.029 0.000 2.162 94 G HA2 -0.378 nan 3.960 nan 0.000 0.260 94 G HA3 -0.378 nan 3.960 nan 0.000 0.260 94 G C -0.288 174.601 174.900 -0.019 0.000 0.976 94 G CA 0.282 45.367 45.100 -0.025 0.000 0.655 94 G HN 0.208 8.475 8.290 -0.038 0.000 0.533 95 K N 0.911 121.293 120.400 -0.031 0.000 2.126 95 K HA 0.293 nan 4.320 nan 0.000 0.257 95 K C -2.241 174.300 176.600 -0.099 0.000 1.007 95 K CA -2.751 53.505 56.287 -0.052 0.000 0.928 95 K CB 0.180 32.651 32.500 -0.047 0.000 1.013 95 K HN -0.671 7.502 8.250 -0.031 0.059 0.473 96 P HA -0.182 nan 4.420 nan 0.000 0.266 96 P C -1.645 175.337 177.300 -0.529 0.000 1.195 96 P CA 0.560 63.444 63.100 -0.361 0.000 0.768 96 P CB 0.283 31.596 31.700 -0.644 0.000 0.838 97 D N 1.794 121.970 120.400 -0.372 0.000 2.471 97 D HA 0.148 nan 4.640 nan 0.000 0.245 97 D C 0.915 177.080 176.300 -0.225 0.000 1.116 97 D CA -1.873 51.965 54.000 -0.271 0.000 0.853 97 D CB 2.127 42.893 40.800 -0.057 0.000 1.123 97 D HN 0.105 8.274 8.370 -0.174 0.096 0.540 98 Y N 3.104 123.457 120.300 0.087 0.000 2.509 98 Y HA -0.164 nan 4.550 nan 0.000 0.293 98 Y C 0.091 176.072 175.900 0.135 0.000 1.133 98 Y CA 1.297 59.454 58.100 0.095 0.000 1.283 98 Y CB 0.256 38.739 38.460 0.038 0.000 1.001 98 Y HN 0.188 8.390 8.280 -0.130 0.000 0.555 99 V N -0.963 119.092 119.914 0.236 0.000 2.407 99 V HA 0.111 nan 4.120 nan 0.000 0.291 99 V C -0.987 175.224 176.094 0.194 0.000 1.018 99 V CA -0.884 61.551 62.300 0.225 0.000 0.842 99 V CB 0.283 32.214 31.823 0.180 0.000 0.996 99 V HN -0.808 7.616 8.190 0.187 -0.122 0.426 100 T N 7.939 122.625 114.554 0.221 0.000 2.899 100 T HA 0.299 nan 4.350 nan 0.000 0.284 100 T C -1.117 173.669 174.700 0.143 0.000 1.004 100 T CA -1.169 61.030 62.100 0.164 0.000 1.043 100 T CB 1.519 70.490 68.868 0.171 0.000 1.013 100 T HN 0.255 8.671 8.240 0.293 0.000 0.518 101 D N 2.847 123.318 120.400 0.118 0.000 2.440 101 D HA 0.375 nan 4.640 nan 0.000 0.258 101 D C 1.080 177.422 176.300 0.070 0.000 1.092 101 D CA -1.904 52.167 54.000 0.117 0.000 1.016 101 D CB 1.619 42.516 40.800 0.163 0.000 1.141 101 D HN -0.118 8.585 8.370 0.085 -0.281 0.552 102 S N 0.095 115.838 115.700 0.072 0.000 2.400 102 S HA -0.272 nan 4.470 nan 0.000 0.232 102 S C 1.994 176.534 174.600 -0.099 0.000 1.025 102 S CA 3.937 62.120 58.200 -0.027 0.000 0.993 102 S CB -0.479 62.744 63.200 0.039 0.000 0.808 102 S HN 0.371 8.765 8.310 0.141 0.000 0.478 103 A N 1.338 124.110 122.820 -0.080 0.000 1.873 103 A HA -0.127 nan 4.320 nan 0.000 0.215 103 A C 1.607 179.054 177.584 -0.229 0.000 1.186 103 A CA 2.847 54.791 52.037 -0.154 0.000 0.616 103 A CB -1.022 17.906 19.000 -0.119 0.000 0.823 103 A HN 0.050 8.378 8.150 -0.019 -0.189 0.442 104 A N -2.196 120.515 122.820 -0.181 0.000 1.929 104 A HA -0.256 nan 4.320 nan 0.000 0.216 104 A C 2.126 179.577 177.584 -0.222 0.000 1.176 104 A CA 3.019 54.932 52.037 -0.206 0.000 0.628 104 A CB -0.548 18.375 19.000 -0.128 0.000 0.816 104 A HN 0.001 8.353 8.150 -0.114 -0.270 0.444 105 S N -0.673 114.922 115.700 -0.175 0.000 2.356 105 S HA -0.402 nan 4.470 nan 0.000 0.223 105 S C 1.846 176.170 174.600 -0.461 0.000 1.032 105 S CA 3.445 61.550 58.200 -0.159 0.000 1.005 105 S CB -0.530 62.646 63.200 -0.041 0.000 0.867 105 S HN -0.319 7.918 8.310 -0.120 0.000 0.449 106 A N 1.122 123.498 122.820 -0.740 0.000 1.883 106 A HA -0.313 nan 4.320 nan 0.000 0.217 106 A C 2.437 179.343 177.584 -1.131 0.000 1.186 106 A CA 2.901 54.060 52.037 -1.462 0.000 0.624 106 A CB -0.898 17.633 19.000 -0.782 0.000 0.822 106 A HN -0.123 7.752 8.150 -0.459 0.000 0.444 107 T N 1.027 115.205 114.554 -0.627 0.000 2.720 107 T HA -0.386 nan 4.350 nan 0.000 0.268 107 T C 2.126 176.566 174.700 -0.433 0.000 1.037 107 T CA 4.604 66.422 62.100 -0.469 0.000 1.144 107 T CB -0.584 68.073 68.868 -0.351 0.000 0.864 107 T HN -0.049 7.884 8.240 -0.512 0.000 0.444 108 A N 1.589 124.186 122.820 -0.370 0.000 1.883 108 A HA -0.196 nan 4.320 nan 0.000 0.217 108 A C 1.656 179.173 177.584 -0.113 0.000 1.186 108 A CA 2.955 54.850 52.037 -0.236 0.000 0.624 108 A CB -0.779 18.118 19.000 -0.172 0.000 0.822 108 A HN -0.193 7.646 8.150 -0.379 0.083 0.444 109 W N -5.264 116.006 121.300 -0.050 0.000 2.658 109 W HA -0.027 nan 4.660 nan 0.000 0.263 109 W C 0.285 176.863 176.519 0.097 0.000 1.274 109 W CA 1.235 58.614 57.345 0.057 0.000 1.343 109 W CB -0.315 29.210 29.460 0.107 0.000 1.106 109 W HN -0.564 7.477 8.180 -0.230 0.000 0.615 110 S N -1.890 113.674 115.700 -0.228 0.000 2.501 110 S HA 0.044 nan 4.470 nan 0.000 0.220 110 S C 1.394 175.900 174.600 -0.156 0.000 0.997 110 S CA 2.055 60.222 58.200 -0.055 0.000 0.919 110 S CB 1.953 65.013 63.200 -0.233 0.000 0.778 110 S HN -0.202 7.734 8.310 -0.623 0.000 0.523 111 T N -5.140 109.109 114.554 -0.507 0.000 2.955 111 T HA 0.353 nan 4.350 nan 0.000 0.251 111 T C 0.954 174.707 174.700 -1.578 0.000 1.002 111 T CA -0.048 61.499 62.100 -0.922 0.000 0.970 111 T CB 1.589 70.190 68.868 -0.445 0.000 1.091 111 T HN 0.117 8.100 8.240 -0.428 0.000 0.495 112 G N 2.923 111.149 108.800 -0.957 0.000 2.141 112 G HA2 -0.264 nan 3.960 nan 0.000 0.242 112 G HA3 -0.264 nan 3.960 nan 0.000 0.242 112 G C -1.466 173.312 174.900 -0.203 0.000 0.982 112 G CA 0.504 45.312 45.100 -0.487 0.000 0.662 112 G HN -0.252 7.696 8.290 -0.571 0.000 0.527 113 V N -1.273 118.446 119.914 -0.325 0.000 2.735 113 V HA 0.224 nan 4.120 nan 0.000 0.310 113 V C -1.603 174.341 176.094 -0.250 0.000 1.061 113 V CA -1.769 60.364 62.300 -0.279 0.000 0.913 113 V CB 2.128 33.653 31.823 -0.497 0.000 1.005 113 V HN -0.782 7.131 8.190 -0.405 0.034 0.428 114 K N 5.854 126.139 120.400 -0.192 0.000 2.219 114 K HA 0.140 nan 4.320 nan 0.000 0.258 114 K C -1.211 175.288 176.600 -0.169 0.000 1.008 114 K CA -0.162 56.012 56.287 -0.188 0.000 0.928 114 K CB 0.807 33.212 32.500 -0.159 0.000 0.983 114 K HN 0.157 8.314 8.250 -0.154 0.000 0.484 115 T N -1.200 113.259 114.554 -0.159 0.000 2.647 115 T HA 0.299 nan 4.350 nan 0.000 0.295 115 T C -1.849 172.809 174.700 -0.071 0.000 1.126 115 T CA -1.884 60.138 62.100 -0.130 0.000 1.040 115 T CB 2.582 71.302 68.868 -0.246 0.000 1.472 115 T HN -0.152 7.988 8.240 -0.168 0.000 0.500 116 Y N -1.879 118.372 120.300 -0.081 0.000 2.316 116 Y HA 0.487 nan 4.550 nan 0.000 0.324 116 Y C -0.400 175.476 175.900 -0.040 0.000 1.267 116 Y CA -2.719 55.347 58.100 -0.056 0.000 1.311 116 Y CB 0.424 38.854 38.460 -0.051 0.000 1.267 116 Y HN 0.259 8.437 8.280 -0.170 0.000 0.516 117 N N 3.129 121.887 118.700 0.097 0.000 2.452 117 N HA -0.289 nan 4.740 nan 0.000 0.266 117 N C 0.453 175.984 175.510 0.034 0.000 1.209 117 N CA 1.498 54.568 53.050 0.034 0.000 0.929 117 N CB -1.014 37.524 38.487 0.084 0.000 1.063 117 N HN 0.325 8.811 8.380 0.177 0.000 0.472 118 G N 0.880 109.633 108.800 -0.080 0.000 2.253 118 G HA2 -0.308 nan 3.960 nan 0.000 0.209 118 G HA3 -0.308 nan 3.960 nan 0.000 0.209 118 G C -1.405 173.376 174.900 -0.199 0.000 0.997 118 G CA -0.059 45.008 45.100 -0.056 0.000 0.640 118 G HN -0.245 8.108 8.290 -0.126 -0.139 0.496 119 A N 0.996 123.492 122.820 -0.540 0.000 2.388 119 A HA 0.501 nan 4.320 nan 0.000 0.257 119 A C -1.676 175.704 177.584 -0.340 0.000 1.095 119 A CA 0.104 51.773 52.037 -0.615 0.000 0.791 119 A CB 0.955 19.267 19.000 -1.146 0.000 1.029 119 A HN -0.361 7.326 8.150 -0.670 0.061 0.489 120 L N 1.489 122.578 121.223 -0.224 0.000 2.342 120 L HA 0.181 nan 4.340 nan 0.000 0.276 120 L C 0.434 177.205 176.870 -0.165 0.000 0.997 120 L CA -1.115 53.605 54.840 -0.200 0.000 0.838 120 L CB 1.368 43.331 42.059 -0.160 0.000 1.224 120 L HN 0.222 8.348 8.230 -0.173 0.000 0.416 121 G N 2.941 111.629 108.800 -0.188 0.000 2.168 121 G HA2 -0.440 nan 3.960 nan 0.000 0.257 121 G HA3 -0.440 nan 3.960 nan 0.000 0.257 121 G C -1.444 173.539 174.900 0.140 0.000 0.997 121 G CA 1.034 46.089 45.100 -0.074 0.000 0.708 121 G HN 0.164 8.309 8.290 -0.242 0.000 0.520 122 V N -6.378 113.554 119.914 0.030 0.000 3.001 122 V HA 0.827 nan 4.120 nan 0.000 0.314 122 V C -1.551 174.564 176.094 0.034 0.000 1.099 122 V CA -3.921 58.439 62.300 0.100 0.000 0.989 122 V CB 3.557 35.443 31.823 0.104 0.000 1.040 122 V HN -0.831 7.266 8.190 -0.087 0.041 0.434 123 D N 1.839 122.309 120.400 0.117 0.000 2.507 123 D HA 0.416 nan 4.640 nan 0.000 0.280 123 D C 1.535 177.900 176.300 0.108 0.000 1.219 123 D CA -1.158 52.857 54.000 0.025 0.000 1.085 123 D CB 1.386 42.197 40.800 0.018 0.000 1.134 123 D HN 0.206 8.712 8.370 0.228 0.000 0.583 124 I N -7.093 113.474 120.570 -0.006 0.000 2.756 124 I HA -0.142 nan 4.170 nan 0.000 0.262 124 I C 0.511 176.541 176.117 -0.144 0.000 1.225 124 I CA 2.532 63.822 61.300 -0.017 0.000 1.472 124 I CB -0.180 37.699 38.000 -0.202 0.000 1.094 124 I HN 0.272 8.424 8.210 -0.097 0.000 0.454 125 H N -1.473 117.657 119.070 0.100 0.000 2.538 125 H HA 0.195 nan 4.556 nan 0.000 0.286 125 H C -0.591 174.784 175.328 0.078 0.000 1.035 125 H CA -0.509 55.576 56.048 0.061 0.000 1.169 125 H CB -0.690 29.104 29.762 0.054 0.000 1.417 125 H HN -0.616 7.736 8.280 -0.097 -0.131 0.567 126 E N -4.798 115.523 120.200 0.201 0.000 3.065 126 E HA -0.390 nan 4.350 nan 0.000 0.277 126 E C -1.237 175.445 176.600 0.137 0.000 1.008 126 E CA 1.537 58.047 56.400 0.184 0.000 0.864 126 E CB -1.362 28.420 29.700 0.137 0.000 1.439 126 E HN 0.012 8.323 8.360 0.216 0.179 0.445 127 K N -0.125 120.367 120.400 0.154 0.000 2.276 127 K HA 0.043 nan 4.320 nan 0.000 0.283 127 K C -0.995 175.651 176.600 0.077 0.000 1.044 127 K CA -0.335 55.998 56.287 0.077 0.000 0.944 127 K CB 1.084 33.628 32.500 0.072 0.000 1.012 127 K HN -0.643 7.878 8.250 0.207 -0.147 0.472 128 D N 6.105 126.472 120.400 -0.056 0.000 2.399 128 D HA 0.091 nan 4.640 nan 0.000 0.241 128 D C -0.534 175.618 176.300 -0.246 0.000 1.133 128 D CA 0.666 54.597 54.000 -0.114 0.000 0.890 128 D CB 0.539 41.134 40.800 -0.341 0.000 1.201 128 D HN 0.167 8.486 8.370 -0.085 0.000 0.432 129 H N 1.262 120.290 119.070 -0.071 0.000 2.717 129 H HA 0.357 nan 4.556 nan 0.000 0.366 129 H C -2.250 173.066 175.328 -0.021 0.000 1.132 129 H CA -2.687 53.317 56.048 -0.073 0.000 1.180 129 H CB 2.996 32.697 29.762 -0.102 0.000 1.678 129 H HN -0.104 8.299 8.280 0.205 0.000 0.537 130 P HA -0.013 nan 4.420 nan 0.000 0.268 130 P C -1.055 176.304 177.300 0.098 0.000 1.205 130 P CA -0.233 62.923 63.100 0.094 0.000 0.771 130 P CB 0.605 32.337 31.700 0.053 0.000 0.858 131 T N -3.720 110.902 114.554 0.112 0.000 2.902 131 T HA 0.291 nan 4.350 nan 0.000 0.280 131 T C 1.201 175.952 174.700 0.086 0.000 0.992 131 T CA -1.917 60.214 62.100 0.052 0.000 1.015 131 T CB 2.490 71.346 68.868 -0.020 0.000 1.044 131 T HN -0.240 8.336 8.240 0.133 -0.256 0.520 132 I N 2.362 122.989 120.570 0.096 0.000 2.423 132 I HA -0.338 nan 4.170 nan 0.000 0.254 132 I C 0.651 176.563 176.117 -0.342 0.000 1.151 132 I CA 2.342 63.554 61.300 -0.148 0.000 1.421 132 I CB 0.191 38.001 38.000 -0.315 0.000 1.079 132 I HN 0.516 8.827 8.210 0.169 0.000 0.431 133 L N -0.880 120.192 121.223 -0.252 0.000 2.044 133 L HA -0.447 nan 4.340 nan 0.000 0.205 133 L C 1.302 178.150 176.870 -0.038 0.000 1.075 133 L CA 3.576 58.334 54.840 -0.136 0.000 0.747 133 L CB -0.353 41.725 42.059 0.032 0.000 0.903 133 L HN -0.835 7.273 8.230 -0.146 0.034 0.435 134 E N -0.732 119.466 120.200 -0.004 0.000 2.085 134 E HA -0.478 nan 4.350 nan 0.000 0.194 134 E C 2.680 179.286 176.600 0.010 0.000 0.994 134 E CA 3.385 59.801 56.400 0.027 0.000 0.801 134 E CB -0.174 29.563 29.700 0.061 0.000 0.743 134 E HN -0.482 7.876 8.360 -0.003 0.000 0.453 135 M N -1.245 118.350 119.600 -0.009 0.000 2.132 135 M HA -0.364 nan 4.480 nan 0.000 0.263 135 M C 2.113 178.390 176.300 -0.039 0.000 1.065 135 M CA 3.877 59.164 55.300 -0.021 0.000 1.122 135 M CB -0.025 32.556 32.600 -0.031 0.000 1.365 135 M HN -0.043 8.236 8.290 -0.010 0.005 0.411 136 A N -0.243 122.537 122.820 -0.067 0.000 1.902 136 A HA -0.344 nan 4.320 nan 0.000 0.217 136 A C 1.881 179.476 177.584 0.018 0.000 1.181 136 A CA 3.351 55.370 52.037 -0.031 0.000 0.623 136 A CB -1.008 17.980 19.000 -0.020 0.000 0.818 136 A HN 0.173 8.181 8.150 -0.110 0.077 0.443 137 K N -1.218 119.198 120.400 0.027 0.000 2.032 137 K HA -0.358 nan 4.320 nan 0.000 0.209 137 K C 2.747 179.362 176.600 0.025 0.000 1.048 137 K CA 3.200 59.509 56.287 0.037 0.000 0.927 137 K CB -0.057 32.466 32.500 0.038 0.000 0.712 137 K HN 0.103 8.363 8.250 0.017 0.000 0.441 138 A N -0.291 122.539 122.820 0.016 0.000 1.940 138 A HA -0.165 nan 4.320 nan 0.000 0.219 138 A C 1.540 179.130 177.584 0.010 0.000 1.176 138 A CA 2.693 54.738 52.037 0.013 0.000 0.631 138 A CB -0.737 18.269 19.000 0.009 0.000 0.814 138 A HN -0.037 8.121 8.150 0.013 0.000 0.446 139 A N -4.837 117.986 122.820 0.006 0.000 2.235 139 A HA -0.013 nan 4.320 nan 0.000 0.208 139 A C -0.038 177.555 177.584 0.015 0.000 1.172 139 A CA -0.103 51.937 52.037 0.005 0.000 0.786 139 A CB 0.270 19.267 19.000 -0.005 0.000 0.804 139 A HN -0.307 7.758 8.150 0.002 0.087 0.479 140 G N -3.318 105.496 108.800 0.023 0.000 2.159 140 G HA2 -0.327 nan 3.960 nan 0.000 0.227 140 G HA3 -0.327 nan 3.960 nan 0.000 0.227 140 G C -0.474 174.454 174.900 0.046 0.000 0.986 140 G CA -0.122 44.996 45.100 0.030 0.000 0.651 140 G HN -0.181 7.920 8.290 0.023 0.203 0.523 141 L N 0.203 121.461 121.223 0.058 0.000 2.439 141 L HA 0.118 nan 4.340 nan 0.000 0.261 141 L C -1.060 175.879 176.870 0.115 0.000 1.153 141 L CA -0.483 54.414 54.840 0.095 0.000 0.808 141 L CB 0.423 42.547 42.059 0.107 0.000 1.126 141 L HN -0.402 7.856 8.230 0.048 0.000 0.460 142 A N 0.153 123.067 122.820 0.156 0.000 2.351 142 A HA 0.428 nan 4.320 nan 0.000 0.257 142 A C -1.474 176.228 177.584 0.197 0.000 1.087 142 A CA -0.318 51.802 52.037 0.138 0.000 0.798 142 A CB 1.338 20.406 19.000 0.112 0.000 1.033 142 A HN 0.530 8.796 8.150 0.193 0.000 0.488 143 T N -3.781 110.863 114.554 0.150 0.000 2.893 143 T HA 0.810 nan 4.350 nan 0.000 0.293 143 T C -1.215 173.562 174.700 0.128 0.000 1.027 143 T CA -1.980 60.245 62.100 0.208 0.000 0.988 143 T CB 2.915 71.902 68.868 0.198 0.000 1.043 143 T HN 0.181 8.763 8.240 0.093 -0.286 0.461 144 G N 0.606 109.482 108.800 0.128 0.000 2.620 144 G HA2 0.543 nan 3.960 nan 0.000 0.301 144 G HA3 0.543 nan 3.960 nan 0.000 0.301 144 G C -3.389 171.547 174.900 0.060 0.000 1.347 144 G CA -0.781 44.344 45.100 0.043 0.000 0.971 144 G HN 0.409 8.813 8.290 0.190 0.000 0.488 145 N N 1.873 120.605 118.700 0.054 0.000 2.549 145 N HA 0.621 nan 4.740 nan 0.000 0.281 145 N C -2.080 173.454 175.510 0.039 0.000 1.084 145 N CA -0.746 52.344 53.050 0.067 0.000 0.862 145 N CB 2.666 41.210 38.487 0.095 0.000 1.333 145 N HN 0.213 8.618 8.380 0.042 0.000 0.523 146 V N 6.183 126.110 119.914 0.022 0.000 2.604 146 V HA 0.776 nan 4.120 nan 0.000 0.305 146 V C -2.056 174.051 176.094 0.021 0.000 1.043 146 V CA -1.574 60.738 62.300 0.019 0.000 0.888 146 V CB 3.372 35.187 31.823 -0.012 0.000 0.995 146 V HN 0.721 8.920 8.190 0.014 0.000 0.429 147 S N 4.760 120.480 115.700 0.033 0.000 2.547 147 S HA 0.575 nan 4.470 nan 0.000 0.270 147 S C -0.257 174.364 174.600 0.034 0.000 1.150 147 S CA -1.455 56.761 58.200 0.028 0.000 0.850 147 S CB 2.071 65.292 63.200 0.035 0.000 1.118 147 S HN 0.582 8.923 8.310 0.051 0.000 0.461 148 T N -2.190 112.375 114.554 0.018 0.000 3.100 148 T HA 0.366 nan 4.350 nan 0.000 0.253 148 T C 0.279 175.002 174.700 0.038 0.000 1.118 148 T CA 0.195 62.308 62.100 0.021 0.000 1.058 148 T CB 0.346 69.209 68.868 -0.009 0.000 0.953 148 T HN -0.011 8.233 8.240 0.007 0.000 0.515 149 A N 1.309 124.154 122.820 0.042 0.000 2.257 149 A HA 0.393 nan 4.320 nan 0.000 0.290 149 A C -1.092 176.520 177.584 0.048 0.000 1.201 149 A CA -1.794 50.275 52.037 0.052 0.000 0.863 149 A CB 1.248 20.282 19.000 0.056 0.000 1.256 149 A HN -0.234 7.875 8.150 0.038 0.064 0.506 150 E N -2.052 118.179 120.200 0.051 0.000 2.414 150 E HA -0.179 nan 4.350 nan 0.000 0.263 150 E C 1.776 178.360 176.600 -0.027 0.000 1.000 150 E CA 0.429 56.847 56.400 0.031 0.000 0.914 150 E CB -0.127 29.607 29.700 0.057 0.000 0.948 150 E HN -0.160 8.485 8.360 0.072 -0.243 0.444 151 L N 3.273 124.485 121.223 -0.019 0.000 2.450 151 L HA -0.295 nan 4.340 nan 0.000 0.224 151 L C 0.205 176.994 176.870 -0.136 0.000 1.149 151 L CA 1.218 56.037 54.840 -0.035 0.000 0.816 151 L CB -0.605 41.469 42.059 0.026 0.000 0.932 151 L HN 0.234 8.377 8.230 0.015 0.096 0.449 152 Q N -5.682 113.941 119.800 -0.295 0.000 2.403 152 Q HA 0.012 nan 4.340 nan 0.000 0.203 152 Q C -0.577 175.041 176.000 -0.636 0.000 0.932 152 Q CA 0.151 55.595 55.803 -0.598 0.000 0.945 152 Q CB -0.170 27.882 28.738 -1.144 0.000 1.045 152 Q HN -0.278 7.790 8.270 -0.253 0.051 0.511 153 D N 0.098 120.310 120.400 -0.313 0.000 2.357 153 D HA -0.021 nan 4.640 nan 0.000 0.242 153 D C 0.134 176.392 176.300 -0.069 0.000 1.153 153 D CA -0.232 53.713 54.000 -0.092 0.000 0.918 153 D CB 2.047 42.864 40.800 0.028 0.000 1.181 153 D HN -0.358 7.713 8.370 -0.211 0.173 0.435 154 A N 3.139 125.952 122.820 -0.011 0.000 1.894 154 A HA -0.422 nan 4.320 nan 0.000 0.220 154 A C 2.004 179.544 177.584 -0.075 0.000 1.237 154 A CA 3.525 55.533 52.037 -0.049 0.000 0.660 154 A CB -0.323 18.661 19.000 -0.027 0.000 0.835 154 A HN 0.753 8.932 8.150 0.049 0.000 0.461 155 T N -1.432 113.114 114.554 -0.014 0.000 2.674 155 T HA -0.059 nan 4.350 nan 0.000 0.265 155 T C -0.678 174.049 174.700 0.046 0.000 1.039 155 T CA 5.315 67.440 62.100 0.042 0.000 1.150 155 T CB -2.313 66.654 68.868 0.166 0.000 0.864 155 T HN 0.489 8.740 8.240 0.018 0.000 0.427 156 P HA -0.107 nan 4.420 nan 0.000 0.217 156 P C 0.910 178.195 177.300 -0.025 0.000 1.151 156 P CA 1.926 65.043 63.100 0.027 0.000 0.828 156 P CB -0.388 31.323 31.700 0.018 0.000 0.788 157 A N -1.224 121.549 122.820 -0.078 0.000 1.902 157 A HA -0.282 nan 4.320 nan 0.000 0.217 157 A C 1.770 179.265 177.584 -0.149 0.000 1.181 157 A CA 2.914 54.877 52.037 -0.122 0.000 0.623 157 A CB -0.919 17.988 19.000 -0.156 0.000 0.818 157 A HN -0.017 8.084 8.150 -0.080 0.000 0.443 158 A N -2.904 119.815 122.820 -0.169 0.000 2.076 158 A HA -0.157 nan 4.320 nan 0.000 0.220 158 A C 1.358 178.810 177.584 -0.220 0.000 1.160 158 A CA 2.387 54.281 52.037 -0.239 0.000 0.653 158 A CB -0.726 18.082 19.000 -0.320 0.000 0.801 158 A HN -0.229 7.831 8.150 -0.149 0.000 0.455 159 L N -3.872 117.282 121.223 -0.114 0.000 2.395 159 L HA -0.049 nan 4.340 nan 0.000 0.218 159 L C 1.131 177.955 176.870 -0.076 0.000 1.130 159 L CA 1.546 56.358 54.840 -0.048 0.000 0.826 159 L CB 0.855 42.962 42.059 0.081 0.000 0.941 159 L HN -0.685 7.457 8.230 -0.076 0.042 0.451 160 V N -10.339 109.503 119.914 -0.120 0.000 3.497 160 V HA 0.329 nan 4.120 nan 0.000 0.272 160 V C -0.344 175.643 176.094 -0.178 0.000 1.474 160 V CA -0.888 61.353 62.300 -0.097 0.000 1.025 160 V CB 1.339 33.145 31.823 -0.030 0.000 0.820 160 V HN -0.168 7.771 8.190 -0.141 0.167 0.437 161 A N -0.098 122.549 122.820 -0.288 0.000 2.354 161 A HA 0.405 nan 4.320 nan 0.000 0.321 161 A C -1.774 175.526 177.584 -0.475 0.000 1.125 161 A CA -1.049 50.834 52.037 -0.256 0.000 0.799 161 A CB 2.705 21.613 19.000 -0.153 0.000 1.293 161 A HN -0.193 7.777 8.150 -0.299 0.000 0.452 162 H N -0.400 118.644 119.070 -0.043 0.000 3.092 162 H HA 0.358 nan 4.556 nan 0.000 0.308 162 H C -1.486 173.827 175.328 -0.026 0.000 1.047 162 H CA -0.415 55.609 56.048 -0.040 0.000 1.466 162 H CB 1.284 31.028 29.762 -0.029 0.000 1.597 162 H HN 0.155 8.743 8.280 0.046 -0.281 0.512 163 V N -0.836 119.104 119.914 0.044 0.000 3.114 163 V HA 0.732 nan 4.120 nan 0.000 0.308 163 V C -0.101 176.015 176.094 0.037 0.000 1.168 163 V CA -2.617 59.707 62.300 0.040 0.000 1.015 163 V CB 3.425 35.260 31.823 0.020 0.000 1.050 163 V HN 0.308 8.497 8.190 -0.003 0.000 0.433 164 T N -3.065 111.533 114.554 0.073 0.000 3.085 164 T HA 0.016 nan 4.350 nan 0.000 0.263 164 T C 0.396 175.172 174.700 0.127 0.000 1.127 164 T CA 2.261 64.443 62.100 0.136 0.000 1.103 164 T CB 0.253 69.213 68.868 0.154 0.000 0.921 164 T HN 0.211 8.730 8.240 0.070 -0.237 0.510 165 S N -0.103 115.637 115.700 0.067 0.000 2.572 165 S HA 0.386 nan 4.470 nan 0.000 0.274 165 S C 0.488 175.113 174.600 0.041 0.000 1.150 165 S CA -2.254 55.982 58.200 0.059 0.000 0.944 165 S CB 1.255 64.496 63.200 0.068 0.000 1.071 165 S HN -0.840 7.468 8.310 0.053 0.033 0.479 166 R N 7.418 127.937 120.500 0.032 0.000 2.170 166 R HA -0.236 nan 4.340 nan 0.000 0.242 166 R C 0.786 177.185 176.300 0.165 0.000 1.145 166 R CA 2.517 58.657 56.100 0.067 0.000 0.984 166 R CB -0.158 30.177 30.300 0.059 0.000 0.869 166 R HN 0.748 9.026 8.270 0.013 0.000 0.455 167 K N -2.891 117.567 120.400 0.096 0.000 2.442 167 K HA -0.107 nan 4.320 nan 0.000 0.198 167 K C 0.474 177.130 176.600 0.093 0.000 1.042 167 K CA 1.491 57.801 56.287 0.037 0.000 0.958 167 K CB 0.160 32.643 32.500 -0.029 0.000 0.766 167 K HN -0.607 7.639 8.250 0.061 0.040 0.474 168 c N 2.717 121.395 118.600 0.130 0.000 3.247 168 c HA 0.074 nan 4.570 nan 0.000 0.573 168 c C 0.738 174.929 174.090 0.168 0.000 1.106 168 c CA 0.293 56.687 56.329 0.109 0.000 1.209 168 c CB -3.323 39.222 42.510 0.058 0.000 1.460 168 c HN -0.331 7.912 8.230 0.112 0.054 0.634 169 Y N 3.252 123.524 120.300 -0.047 0.000 2.089 169 Y HA -0.361 nan 4.550 nan 0.000 0.282 169 Y C 0.527 176.368 175.900 -0.099 0.000 1.139 169 Y CA 3.220 61.281 58.100 -0.065 0.000 1.123 169 Y CB -0.109 38.321 38.460 -0.050 0.000 0.980 169 Y HN 0.184 8.589 8.280 0.324 0.070 0.493 170 G N -6.894 101.955 108.800 0.083 0.000 2.798 170 G HA2 0.283 nan 3.960 nan 0.000 0.286 170 G HA3 0.283 nan 3.960 nan 0.000 0.286 170 G C -2.138 172.754 174.900 -0.013 0.000 1.389 170 G CA -1.894 43.192 45.100 -0.022 0.000 0.894 170 G HN -0.721 7.642 8.290 0.120 0.000 0.488 171 P HA -0.414 nan 4.420 nan 0.000 0.216 171 P C 1.296 178.593 177.300 -0.004 0.000 1.167 171 P CA 3.361 66.452 63.100 -0.015 0.000 0.914 171 P CB 0.411 32.101 31.700 -0.016 0.000 0.793 172 S N -2.354 113.344 115.700 -0.004 0.000 2.359 172 S HA -0.413 nan 4.470 nan 0.000 0.224 172 S C 1.781 176.379 174.600 -0.004 0.000 1.035 172 S CA 3.494 61.692 58.200 -0.004 0.000 1.018 172 S CB -0.599 62.598 63.200 -0.006 0.000 0.876 172 S HN -0.048 8.555 8.310 -0.007 -0.297 0.448 173 A N 0.854 123.672 122.820 -0.003 0.000 1.902 173 A HA -0.206 nan 4.320 nan 0.000 0.217 173 A C 1.922 179.510 177.584 0.006 0.000 1.181 173 A CA 2.729 54.763 52.037 -0.006 0.000 0.623 173 A CB -0.836 18.160 19.000 -0.006 0.000 0.818 173 A HN 0.234 8.384 8.150 -0.000 0.000 0.443 174 T N 1.441 116.002 114.554 0.013 0.000 2.777 174 T HA -0.372 nan 4.350 nan 0.000 0.266 174 T C 2.726 177.433 174.700 0.011 0.000 1.040 174 T CA 4.819 66.928 62.100 0.016 0.000 1.141 174 T CB -0.770 68.106 68.868 0.013 0.000 0.868 174 T HN -0.128 8.104 8.240 0.012 0.015 0.444 175 S N 2.494 118.198 115.700 0.006 0.000 2.370 175 S HA -0.405 nan 4.470 nan 0.000 0.226 175 S C 2.032 176.635 174.600 0.004 0.000 1.033 175 S CA 3.590 61.793 58.200 0.005 0.000 1.011 175 S CB -0.021 63.181 63.200 0.003 0.000 0.852 175 S HN 0.138 8.451 8.310 0.004 0.000 0.457 176 E N -0.508 119.693 120.200 0.001 0.000 2.140 176 E HA -0.037 nan 4.350 nan 0.000 0.191 176 E C 1.590 178.191 176.600 0.002 0.000 0.973 176 E CA 2.011 58.411 56.400 -0.000 0.000 0.829 176 E CB 0.024 29.721 29.700 -0.005 0.000 0.781 176 E HN -0.612 7.748 8.360 0.000 0.000 0.466 177 K N -2.729 117.675 120.400 0.005 0.000 2.276 177 K HA 0.071 nan 4.320 nan 0.000 0.198 177 K C 0.028 176.640 176.600 0.021 0.000 1.052 177 K CA 1.376 57.670 56.287 0.011 0.000 0.984 177 K CB 1.461 33.965 32.500 0.008 0.000 0.836 177 K HN -0.011 8.242 8.250 0.005 0.000 0.490 178 c N 1.546 120.160 118.600 0.023 0.000 3.276 178 c HA 0.520 nan 4.570 nan 0.000 0.226 178 c C -1.157 172.946 174.090 0.022 0.000 1.502 178 c CA -2.578 53.768 56.329 0.029 0.000 1.488 178 c CB -1.750 40.781 42.510 0.035 0.000 2.014 178 c HN -0.074 8.053 8.230 0.018 0.114 0.492 179 P HA -0.172 nan 4.420 nan 0.000 0.216 179 P C 1.398 178.707 177.300 0.014 0.000 1.150 179 P CA 2.475 65.583 63.100 0.013 0.000 0.837 179 P CB 0.085 31.790 31.700 0.009 0.000 0.786 180 G N -2.729 106.081 108.800 0.018 0.000 2.559 180 G HA2 -0.226 nan 3.960 nan 0.000 0.216 180 G HA3 -0.226 nan 3.960 nan 0.000 0.216 180 G C -0.131 174.781 174.900 0.021 0.000 1.126 180 G CA 1.097 46.208 45.100 0.018 0.000 0.778 180 G HN 0.490 8.792 8.290 0.020 0.000 0.543 181 N N -0.998 117.716 118.700 0.024 0.000 2.322 181 N HA 0.076 nan 4.740 nan 0.000 0.181 181 N C -1.316 174.206 175.510 0.020 0.000 1.088 181 N CA 0.042 53.107 53.050 0.026 0.000 0.885 181 N CB 1.593 40.099 38.487 0.032 0.000 1.013 181 N HN -0.156 8.055 8.380 0.024 0.184 0.472 182 A N 0.090 122.920 122.820 0.017 0.000 2.548 182 A HA -0.108 nan 4.320 nan 0.000 0.247 182 A C 0.651 178.244 177.584 0.014 0.000 1.067 182 A CA 0.512 52.557 52.037 0.013 0.000 0.757 182 A CB 0.195 19.201 19.000 0.011 0.000 0.996 182 A HN -0.696 7.337 8.150 0.017 0.127 0.504 183 L N 3.393 124.625 121.223 0.016 0.000 2.012 183 L HA -0.360 nan 4.340 nan 0.000 0.210 183 L C 1.679 178.560 176.870 0.017 0.000 1.073 183 L CA 3.213 58.066 54.840 0.021 0.000 0.748 183 L CB 0.200 42.277 42.059 0.030 0.000 0.891 183 L HN 0.754 8.993 8.230 0.014 0.000 0.431 184 E N -1.778 118.430 120.200 0.014 0.000 2.472 184 E HA -0.219 nan 4.350 nan 0.000 0.200 184 E C 0.624 177.228 176.600 0.007 0.000 1.046 184 E CA 1.957 58.362 56.400 0.010 0.000 0.871 184 E CB -0.920 28.785 29.700 0.008 0.000 0.806 184 E HN 0.029 8.398 8.360 0.014 0.000 0.533 185 K N -1.757 118.648 120.400 0.008 0.000 2.576 185 K HA 0.083 nan 4.320 nan 0.000 0.209 185 K C -0.047 176.556 176.600 0.006 0.000 1.049 185 K CA -0.685 55.606 56.287 0.006 0.000 1.140 185 K CB -0.317 32.187 32.500 0.006 0.000 0.871 185 K HN -0.451 7.622 8.250 0.010 0.183 0.479 186 G N -1.916 106.889 108.800 0.007 0.000 2.162 186 G HA2 -0.338 nan 3.960 nan 0.000 0.260 186 G HA3 -0.338 nan 3.960 nan 0.000 0.260 186 G C 0.155 175.060 174.900 0.009 0.000 0.976 186 G CA 0.002 45.106 45.100 0.007 0.000 0.655 186 G HN 0.005 8.130 8.290 0.008 0.170 0.533 187 G N -0.966 107.842 108.800 0.013 0.000 2.588 187 G HA2 -0.074 nan 3.960 nan 0.000 0.281 187 G HA3 -0.074 nan 3.960 nan 0.000 0.281 187 G C -0.137 174.775 174.900 0.021 0.000 1.236 187 G CA -0.928 44.181 45.100 0.015 0.000 0.969 187 G HN -0.491 7.756 8.290 0.013 0.051 0.504 188 K N -1.211 119.203 120.400 0.024 0.000 2.439 188 K HA -0.015 nan 4.320 nan 0.000 0.197 188 K C 0.339 176.958 176.600 0.033 0.000 1.041 188 K CA 0.326 56.633 56.287 0.032 0.000 0.970 188 K CB 0.174 32.697 32.500 0.038 0.000 0.773 188 K HN 0.375 8.639 8.250 0.023 0.000 0.479 189 G N -2.628 106.187 108.800 0.024 0.000 2.462 189 G HA2 -0.173 nan 3.960 nan 0.000 0.685 189 G HA3 -0.173 nan 3.960 nan 0.000 0.685 189 G C -1.820 173.081 174.900 0.000 0.000 1.295 189 G CA -0.999 44.108 45.100 0.012 0.000 0.941 189 G HN -0.329 7.933 8.290 0.024 0.041 0.554 190 S N -0.782 114.906 115.700 -0.020 0.000 2.626 190 S HA 0.390 nan 4.470 nan 0.000 0.257 190 S C 1.487 176.052 174.600 -0.058 0.000 1.288 190 S CA -0.696 57.485 58.200 -0.031 0.000 0.980 190 S CB 1.987 65.161 63.200 -0.044 0.000 0.975 190 S HN -0.257 8.323 8.310 -0.027 -0.286 0.577 191 I N 1.244 121.771 120.570 -0.071 0.000 2.118 191 I HA -0.590 nan 4.170 nan 0.000 0.241 191 I C 1.912 177.931 176.117 -0.163 0.000 1.070 191 I CA 4.741 65.971 61.300 -0.116 0.000 1.327 191 I CB -0.526 37.382 38.000 -0.153 0.000 1.034 191 I HN 0.347 8.533 8.210 -0.040 0.000 0.405 192 T N 0.867 115.283 114.554 -0.229 0.000 2.746 192 T HA -0.354 nan 4.350 nan 0.000 0.267 192 T C 2.091 176.614 174.700 -0.295 0.000 1.039 192 T CA 5.062 66.944 62.100 -0.364 0.000 1.142 192 T CB -0.807 67.708 68.868 -0.589 0.000 0.866 192 T HN -0.057 8.060 8.240 -0.205 0.000 0.444 193 E N 1.482 121.561 120.200 -0.202 0.000 2.072 193 E HA -0.387 nan 4.350 nan 0.000 0.191 193 E C 2.296 178.849 176.600 -0.079 0.000 0.985 193 E CA 3.417 59.737 56.400 -0.134 0.000 0.801 193 E CB -0.394 29.265 29.700 -0.069 0.000 0.750 193 E HN -0.607 7.649 8.360 -0.173 0.000 0.452 194 Q N -0.437 119.329 119.800 -0.058 0.000 2.167 194 Q HA -0.276 nan 4.340 nan 0.000 0.202 194 Q C 2.664 178.652 176.000 -0.021 0.000 0.970 194 Q CA 2.994 58.787 55.803 -0.016 0.000 0.855 194 Q CB 0.058 28.794 28.738 -0.004 0.000 0.911 194 Q HN 0.044 8.272 8.270 -0.071 0.000 0.438 195 L N 0.826 122.014 121.223 -0.059 0.000 2.017 195 L HA -0.350 nan 4.340 nan 0.000 0.208 195 L C 1.799 178.669 176.870 0.000 0.000 1.073 195 L CA 3.249 58.069 54.840 -0.033 0.000 0.745 195 L CB -0.048 41.975 42.059 -0.060 0.000 0.894 195 L HN 0.188 8.280 8.230 -0.096 0.080 0.432 196 L N -2.222 118.962 121.223 -0.066 0.000 2.046 196 L HA -0.433 nan 4.340 nan 0.000 0.208 196 L C 2.182 179.093 176.870 0.068 0.000 1.077 196 L CA 2.405 57.200 54.840 -0.074 0.000 0.747 196 L CB -1.292 40.644 42.059 -0.205 0.000 0.896 196 L HN -0.031 8.128 8.230 -0.119 0.000 0.432 197 N N -1.817 116.903 118.700 0.035 0.000 2.188 197 N HA -0.234 nan 4.740 nan 0.000 0.184 197 N C 2.152 177.715 175.510 0.087 0.000 1.018 197 N CA 2.184 55.276 53.050 0.068 0.000 0.858 197 N CB -0.037 38.487 38.487 0.063 0.000 0.989 197 N HN -0.067 8.243 8.380 -0.004 0.067 0.426 198 A N -1.509 121.360 122.820 0.082 0.000 2.019 198 A HA -0.196 nan 4.320 nan 0.000 0.219 198 A C -0.199 177.441 177.584 0.094 0.000 1.164 198 A CA 0.936 53.022 52.037 0.081 0.000 0.644 198 A CB 0.123 19.163 19.000 0.067 0.000 0.805 198 A HN 0.024 8.126 8.150 0.066 0.087 0.449 199 R N -2.832 117.758 120.500 0.148 0.000 3.059 199 R HA -0.435 nan 4.340 nan 0.000 0.251 199 R C -1.544 174.794 176.300 0.062 0.000 0.886 199 R CA -0.000 56.173 56.100 0.123 0.000 0.634 199 R CB -1.499 28.810 30.300 0.015 0.000 1.282 199 R HN -0.611 7.751 8.270 0.195 0.025 0.487 200 A N 0.167 123.050 122.820 0.104 0.000 2.366 200 A HA 0.055 nan 4.320 nan 0.000 0.249 200 A C 0.358 177.967 177.584 0.042 0.000 1.084 200 A CA -0.501 51.585 52.037 0.082 0.000 0.794 200 A CB 0.864 19.926 19.000 0.105 0.000 1.034 200 A HN 0.150 8.392 8.150 0.154 0.000 0.491 201 D N 1.053 121.467 120.400 0.023 0.000 2.149 201 D HA -0.097 nan 4.640 nan 0.000 0.201 201 D C -0.326 175.966 176.300 -0.013 0.000 0.972 201 D CA 4.226 58.215 54.000 -0.019 0.000 0.835 201 D CB 0.805 41.593 40.800 -0.021 0.000 0.966 201 D HN -0.239 8.158 8.370 0.045 0.000 0.476 202 V N -3.049 116.869 119.914 0.005 0.000 2.483 202 V HA 0.486 nan 4.120 nan 0.000 0.297 202 V C -1.783 174.329 176.094 0.030 0.000 1.027 202 V CA -0.744 61.557 62.300 0.001 0.000 0.855 202 V CB 2.305 34.102 31.823 -0.043 0.000 0.995 202 V HN -0.565 7.636 8.190 0.019 0.000 0.424 203 T N 10.031 124.609 114.554 0.039 0.000 2.881 203 T HA 0.834 nan 4.350 nan 0.000 0.291 203 T C -1.973 172.729 174.700 0.005 0.000 0.990 203 T CA -0.190 61.932 62.100 0.036 0.000 0.976 203 T CB 1.354 70.256 68.868 0.056 0.000 0.970 203 T HN 0.350 8.612 8.240 0.037 0.000 0.438 204 L N 5.551 126.793 121.223 0.032 0.000 2.464 204 L HA 0.887 nan 4.340 nan 0.000 0.266 204 L C -1.745 175.194 176.870 0.114 0.000 0.965 204 L CA -1.031 53.865 54.840 0.092 0.000 0.833 204 L CB 3.199 45.394 42.059 0.227 0.000 1.296 204 L HN 0.548 8.802 8.230 0.040 0.000 0.405 205 G N 0.912 109.783 108.800 0.119 0.000 2.336 205 G HA2 0.277 nan 3.960 nan 0.000 0.286 205 G HA3 0.277 nan 3.960 nan 0.000 0.286 205 G C -2.369 172.583 174.900 0.087 0.000 1.269 205 G CA 0.947 46.125 45.100 0.130 0.000 0.873 205 G HN 0.467 8.752 8.290 -0.009 0.000 0.494 206 G N -1.454 107.385 108.800 0.065 0.000 2.736 206 G HA2 0.682 nan 3.960 nan 0.000 0.229 206 G HA3 0.682 nan 3.960 nan 0.000 0.229 206 G C -0.457 174.456 174.900 0.022 0.000 1.380 206 G CA -1.826 43.300 45.100 0.043 0.000 1.040 206 G HN 0.176 8.504 8.290 0.063 0.000 0.568 207 G N -2.250 106.580 108.800 0.049 0.000 2.142 207 G HA2 -0.407 nan 3.960 nan 0.000 0.225 207 G HA3 -0.407 nan 3.960 nan 0.000 0.225 207 G C -0.203 174.787 174.900 0.149 0.000 1.015 207 G CA 0.170 45.327 45.100 0.094 0.000 0.716 207 G HN -0.169 8.074 8.290 0.053 0.079 0.508 208 A N -0.055 122.797 122.820 0.055 0.000 2.019 208 A HA -0.232 nan 4.320 nan 0.000 0.219 208 A C 1.432 179.101 177.584 0.142 0.000 1.164 208 A CA 2.204 54.257 52.037 0.027 0.000 0.644 208 A CB -0.412 18.547 19.000 -0.067 0.000 0.805 208 A HN 0.217 8.379 8.150 0.019 0.000 0.449 209 K N -1.362 119.108 120.400 0.117 0.000 2.020 209 K HA -0.356 nan 4.320 nan 0.000 0.212 209 K C 2.185 178.855 176.600 0.117 0.000 1.050 209 K CA 3.666 60.015 56.287 0.102 0.000 0.929 209 K CB -0.233 32.321 32.500 0.089 0.000 0.714 209 K HN -0.246 8.025 8.250 0.101 0.040 0.443 210 T N 1.426 116.059 114.554 0.132 0.000 2.929 210 T HA -0.143 nan 4.350 nan 0.000 0.271 210 T C 2.337 177.016 174.700 -0.035 0.000 1.085 210 T CA 3.458 65.584 62.100 0.043 0.000 1.125 210 T CB -0.769 68.109 68.868 0.017 0.000 0.874 210 T HN -0.213 8.123 8.240 0.159 0.000 0.494 211 F N 1.148 121.069 119.950 -0.048 0.000 2.604 211 F HA -0.174 nan 4.527 nan 0.000 0.298 211 F C 0.372 176.139 175.800 -0.054 0.000 1.131 211 F CA 1.885 59.841 58.000 -0.074 0.000 1.457 211 F CB -0.680 38.256 39.000 -0.107 0.000 1.095 211 F HN -0.398 8.007 8.300 0.420 0.147 0.574 212 A N -2.426 120.461 122.820 0.112 0.000 2.167 212 A HA -0.109 nan 4.320 nan 0.000 0.214 212 A C 0.043 177.644 177.584 0.028 0.000 1.151 212 A CA 0.338 52.411 52.037 0.060 0.000 0.735 212 A CB -0.344 18.686 19.000 0.049 0.000 0.802 212 A HN -0.389 7.668 8.150 0.122 0.166 0.467 213 E N -0.311 119.891 120.200 0.004 0.000 2.390 213 E HA -0.020 nan 4.350 nan 0.000 0.261 213 E C -0.677 175.918 176.600 -0.009 0.000 1.076 213 E CA -0.147 56.247 56.400 -0.009 0.000 0.905 213 E CB 1.303 30.987 29.700 -0.028 0.000 0.984 213 E HN -0.615 7.582 8.360 -0.007 0.159 0.427 214 T N -3.420 111.136 114.554 0.003 0.000 2.845 214 T HA 0.396 nan 4.350 nan 0.000 0.288 214 T C -0.023 174.686 174.700 0.016 0.000 0.980 214 T CA -2.299 59.811 62.100 0.016 0.000 1.071 214 T CB 0.763 69.644 68.868 0.022 0.000 0.941 214 T HN 0.090 8.333 8.240 0.005 0.000 0.487 215 A N 5.065 127.906 122.820 0.035 0.000 2.511 215 A HA 0.190 nan 4.320 nan 0.000 0.242 215 A C 1.663 179.272 177.584 0.042 0.000 1.069 215 A CA 0.089 52.153 52.037 0.045 0.000 0.763 215 A CB 1.360 20.420 19.000 0.100 0.000 1.001 215 A HN 0.366 8.547 8.150 0.051 0.000 0.498 216 T N -2.308 112.264 114.554 0.029 0.000 3.023 216 T HA -0.118 nan 4.350 nan 0.000 0.266 216 T C -0.352 174.362 174.700 0.024 0.000 1.093 216 T CA 1.015 63.128 62.100 0.022 0.000 1.129 216 T CB -0.010 68.866 68.868 0.014 0.000 0.899 216 T HN 0.523 8.777 8.240 0.025 0.000 0.491 217 A N 0.099 122.939 122.820 0.033 0.000 2.534 217 A HA 0.319 nan 4.320 nan 0.000 0.300 217 A C -1.427 176.181 177.584 0.039 0.000 1.223 217 A CA -0.890 51.162 52.037 0.025 0.000 0.666 217 A CB 1.934 20.944 19.000 0.017 0.000 1.316 217 A HN -0.638 7.501 8.150 0.046 0.039 0.468 218 G N -2.090 106.718 108.800 0.013 0.000 2.782 218 G HA2 -0.297 nan 3.960 nan 0.000 0.228 218 G HA3 -0.297 nan 3.960 nan 0.000 0.228 218 G C 0.380 175.227 174.900 -0.090 0.000 1.372 218 G CA -0.269 44.830 45.100 -0.001 0.000 0.862 218 G HN -0.190 8.099 8.290 -0.003 0.000 0.547 219 E N -0.132 119.909 120.200 -0.265 0.000 2.160 219 E HA -0.206 nan 4.350 nan 0.000 0.195 219 E C 0.114 176.319 176.600 -0.659 0.000 0.991 219 E CA 2.430 58.454 56.400 -0.626 0.000 0.810 219 E CB 0.097 29.074 29.700 -1.206 0.000 0.742 219 E HN 0.383 8.613 8.360 -0.217 0.000 0.466 220 W N -2.536 118.767 121.300 0.005 0.000 2.937 220 W HA 0.304 nan 4.660 nan 0.000 0.435 220 W C -1.158 175.361 176.519 0.000 0.000 0.912 220 W CA -1.818 55.530 57.345 0.005 0.000 2.209 220 W CB -0.686 28.779 29.460 0.008 0.000 1.144 220 W HN -0.369 7.865 8.180 0.145 0.033 0.762 221 Q N 0.549 120.407 119.800 0.097 0.000 2.286 221 Q HA -0.391 nan 4.340 nan 0.000 0.290 221 Q C 0.947 176.986 176.000 0.065 0.000 1.049 221 Q CA 2.245 58.088 55.803 0.067 0.000 0.923 221 Q CB -0.209 28.540 28.738 0.018 0.000 1.183 221 Q HN -0.431 7.764 8.270 0.009 0.081 0.383 222 G N 6.537 115.373 108.800 0.060 0.000 2.284 222 G HA2 -0.532 nan 3.960 nan 0.000 0.247 222 G HA3 -0.532 nan 3.960 nan 0.000 0.247 222 G C -0.899 174.039 174.900 0.064 0.000 1.012 222 G CA -0.086 45.044 45.100 0.049 0.000 0.618 222 G HN 0.652 8.977 8.290 0.059 0.000 0.521 223 K N 2.045 122.505 120.400 0.099 0.000 2.126 223 K HA 0.188 nan 4.320 nan 0.000 0.257 223 K C -0.076 176.567 176.600 0.071 0.000 1.007 223 K CA -0.656 55.691 56.287 0.100 0.000 0.928 223 K CB 0.972 33.571 32.500 0.164 0.000 1.013 223 K HN -0.465 7.780 8.250 0.130 0.084 0.473 224 T N -3.006 111.577 114.554 0.048 0.000 2.868 224 T HA 0.403 nan 4.350 nan 0.000 0.292 224 T C 1.708 176.416 174.700 0.012 0.000 1.028 224 T CA -0.698 61.419 62.100 0.029 0.000 1.059 224 T CB 0.830 69.718 68.868 0.033 0.000 0.991 224 T HN -0.038 8.526 8.240 0.049 -0.294 0.531 225 L N 1.187 122.401 121.223 -0.015 0.000 2.191 225 L HA -0.351 nan 4.340 nan 0.000 0.212 225 L C 1.995 178.904 176.870 0.065 0.000 1.103 225 L CA 3.480 58.282 54.840 -0.063 0.000 0.769 225 L CB -0.905 41.014 42.059 -0.233 0.000 0.908 225 L HN 0.638 8.855 8.230 -0.021 0.000 0.438 226 R N -0.362 120.220 120.500 0.136 0.000 2.066 226 R HA -0.406 nan 4.340 nan 0.000 0.232 226 R C 1.713 178.011 176.300 -0.003 0.000 1.131 226 R CA 3.918 60.071 56.100 0.087 0.000 0.955 226 R CB -0.283 30.042 30.300 0.041 0.000 0.851 226 R HN 0.297 8.625 8.270 0.119 0.013 0.432 227 E N -0.700 119.501 120.200 0.002 0.000 2.077 227 E HA -0.439 nan 4.350 nan 0.000 0.193 227 E C 2.149 178.722 176.600 -0.045 0.000 0.989 227 E CA 3.082 59.483 56.400 0.001 0.000 0.800 227 E CB -0.405 29.317 29.700 0.037 0.000 0.746 227 E HN -0.574 7.715 8.360 0.020 0.082 0.452 228 Q N -0.161 119.566 119.800 -0.121 0.000 2.061 228 Q HA -0.371 nan 4.340 nan 0.000 0.204 228 Q C 2.227 178.007 176.000 -0.366 0.000 0.984 228 Q CA 3.146 58.708 55.803 -0.400 0.000 0.846 228 Q CB -0.081 28.385 28.738 -0.455 0.000 0.902 228 Q HN 0.139 8.367 8.270 -0.070 0.000 0.421 229 A N -1.204 121.481 122.820 -0.226 0.000 1.883 229 A HA -0.371 nan 4.320 nan 0.000 0.217 229 A C 2.194 179.770 177.584 -0.013 0.000 1.186 229 A CA 3.220 55.136 52.037 -0.201 0.000 0.624 229 A CB -0.973 17.864 19.000 -0.272 0.000 0.822 229 A HN -0.139 7.840 8.150 -0.161 0.074 0.444 230 E N -1.019 119.164 120.200 -0.028 0.000 2.031 230 E HA -0.401 nan 4.350 nan 0.000 0.193 230 E C 2.893 179.513 176.600 0.033 0.000 0.994 230 E CA 2.896 59.305 56.400 0.015 0.000 0.800 230 E CB -0.119 29.582 29.700 0.002 0.000 0.752 230 E HN -0.251 8.074 8.360 -0.058 0.000 0.447 231 A N -0.576 122.254 122.820 0.016 0.000 2.024 231 A HA -0.177 nan 4.320 nan 0.000 0.220 231 A C 1.659 179.294 177.584 0.085 0.000 1.164 231 A CA 2.585 54.667 52.037 0.074 0.000 0.643 231 A CB -0.560 18.528 19.000 0.147 0.000 0.806 231 A HN 0.237 8.376 8.150 -0.019 0.000 0.451 232 R N -4.103 116.405 120.500 0.013 0.000 2.297 232 R HA 0.022 nan 4.340 nan 0.000 0.197 232 R C 0.321 176.658 176.300 0.062 0.000 0.943 232 R CA 0.172 56.303 56.100 0.050 0.000 1.038 232 R CB 0.456 30.750 30.300 -0.009 0.000 0.957 232 R HN -0.080 8.038 8.270 -0.050 0.122 0.484 233 G N -2.058 106.781 108.800 0.064 0.000 2.148 233 G HA2 -0.352 nan 3.960 nan 0.000 0.203 233 G HA3 -0.352 nan 3.960 nan 0.000 0.203 233 G C -0.496 174.387 174.900 -0.028 0.000 0.993 233 G CA -0.325 44.777 45.100 0.002 0.000 0.661 233 G HN -0.024 8.138 8.290 0.082 0.177 0.518 234 Y N 0.437 120.704 120.300 -0.056 0.000 2.359 234 Y HA -0.254 nan 4.550 nan 0.000 0.330 234 Y C -0.190 175.669 175.900 -0.068 0.000 1.143 234 Y CA 1.438 59.499 58.100 -0.065 0.000 1.318 234 Y CB 0.498 38.909 38.460 -0.081 0.000 1.234 234 Y HN -0.361 8.087 8.280 0.280 0.000 0.522 235 Q N 3.532 123.372 119.800 0.066 0.000 2.323 235 Q HA 0.020 nan 4.340 nan 0.000 0.257 235 Q C -1.068 174.934 176.000 0.003 0.000 1.022 235 Q CA -0.613 55.200 55.803 0.016 0.000 0.919 235 Q CB 0.371 29.103 28.738 -0.009 0.000 1.220 235 Q HN 0.806 9.095 8.270 0.032 0.000 0.427 236 L N 4.491 125.691 121.223 -0.038 0.000 2.307 236 L HA 0.544 nan 4.340 nan 0.000 0.282 236 L C -1.026 175.773 176.870 -0.118 0.000 1.051 236 L CA 0.115 54.886 54.840 -0.114 0.000 0.804 236 L CB 0.979 42.950 42.059 -0.147 0.000 1.197 236 L HN 0.104 8.317 8.230 -0.028 0.000 0.431 237 V N 4.517 124.323 119.914 -0.180 0.000 2.789 237 V HA 0.460 nan 4.120 nan 0.000 0.311 237 V C -1.097 174.838 176.094 -0.264 0.000 1.073 237 V CA -1.116 61.101 62.300 -0.139 0.000 0.921 237 V CB 3.481 35.265 31.823 -0.065 0.000 1.009 237 V HN 0.413 8.446 8.190 -0.261 0.000 0.426 238 S N 2.135 117.764 115.700 -0.118 0.000 2.847 238 S HA 0.393 nan 4.470 nan 0.000 0.254 238 S C -1.773 172.946 174.600 0.197 0.000 1.039 238 S CA -0.214 57.918 58.200 -0.113 0.000 1.113 238 S CB 0.798 63.938 63.200 -0.100 0.000 1.092 238 S HN 0.573 8.860 8.310 -0.038 0.000 0.620 239 D N -2.669 117.923 120.400 0.321 0.000 2.639 239 D HA 0.177 nan 4.640 nan 0.000 0.271 239 D C -0.927 175.489 176.300 0.193 0.000 1.254 239 D CA -1.116 53.051 54.000 0.279 0.000 0.810 239 D CB 1.341 42.209 40.800 0.113 0.000 1.351 239 D HN -0.807 7.724 8.370 0.268 0.000 0.427 240 A N -1.865 120.957 122.820 0.003 0.000 1.940 240 A HA -0.301 nan 4.320 nan 0.000 0.219 240 A C 1.613 179.190 177.584 -0.011 0.000 1.176 240 A CA 3.640 55.634 52.037 -0.071 0.000 0.631 240 A CB -0.397 18.539 19.000 -0.106 0.000 0.814 240 A HN 0.591 8.627 8.150 -0.020 0.102 0.446 241 A N -1.737 121.088 122.820 0.009 0.000 1.877 241 A HA -0.298 nan 4.320 nan 0.000 0.216 241 A C 2.309 179.905 177.584 0.021 0.000 1.186 241 A CA 3.013 55.056 52.037 0.009 0.000 0.620 241 A CB -0.869 18.137 19.000 0.009 0.000 0.822 241 A HN -0.325 7.930 8.150 0.013 -0.098 0.443 242 S N -0.699 115.026 115.700 0.042 0.000 2.368 242 S HA -0.354 nan 4.470 nan 0.000 0.225 242 S C 1.872 176.503 174.600 0.052 0.000 1.030 242 S CA 3.222 61.447 58.200 0.042 0.000 0.999 242 S CB -0.142 63.086 63.200 0.047 0.000 0.844 242 S HN -0.557 8.070 8.310 0.053 -0.285 0.459 243 L N 0.641 121.920 121.223 0.094 0.000 2.046 243 L HA -0.246 nan 4.340 nan 0.000 0.208 243 L C 1.900 178.787 176.870 0.029 0.000 1.077 243 L CA 2.715 57.613 54.840 0.096 0.000 0.747 243 L CB -0.047 42.096 42.059 0.140 0.000 0.896 243 L HN -0.174 8.129 8.230 0.122 0.000 0.432 244 N N -1.321 117.384 118.700 0.007 0.000 2.364 244 N HA -0.270 nan 4.740 nan 0.000 0.183 244 N C 2.656 178.162 175.510 -0.007 0.000 1.022 244 N CA 2.879 55.923 53.050 -0.010 0.000 0.883 244 N CB -0.362 38.114 38.487 -0.017 0.000 0.965 244 N HN 0.025 8.411 8.380 0.010 0.000 0.438 245 S N -0.479 115.222 115.700 0.001 0.000 2.515 245 S HA -0.160 nan 4.470 nan 0.000 0.231 245 S C 0.039 174.635 174.600 -0.006 0.000 0.987 245 S CA 1.479 59.678 58.200 -0.002 0.000 0.936 245 S CB 0.467 63.667 63.200 0.001 0.000 0.766 245 S HN -0.609 7.586 8.310 0.008 0.120 0.528 246 V N 2.455 122.366 119.914 -0.005 0.000 2.521 246 V HA -0.065 nan 4.120 nan 0.000 0.286 246 V C 0.499 176.581 176.094 -0.020 0.000 1.034 246 V CA 1.377 63.670 62.300 -0.012 0.000 1.045 246 V CB -0.210 31.607 31.823 -0.010 0.000 0.974 246 V HN -0.456 7.568 8.190 -0.001 0.165 0.480 247 T N 3.202 117.744 114.554 -0.021 0.000 3.039 247 T HA 0.086 nan 4.350 nan 0.000 0.250 247 T C -1.406 173.276 174.700 -0.029 0.000 1.052 247 T CA 1.166 63.252 62.100 -0.023 0.000 1.125 247 T CB 0.594 69.452 68.868 -0.017 0.000 0.908 247 T HN 0.524 8.753 8.240 -0.018 0.000 0.473 248 E N -0.849 119.333 120.200 -0.031 0.000 2.356 248 E HA 0.192 nan 4.350 nan 0.000 0.275 248 E C -2.551 174.024 176.600 -0.042 0.000 0.904 248 E CA -1.372 55.007 56.400 -0.036 0.000 0.757 248 E CB 3.108 32.791 29.700 -0.029 0.000 1.232 248 E HN -0.680 7.664 8.360 -0.028 0.000 0.442 249 A N 2.004 124.793 122.820 -0.051 0.000 2.408 249 A HA 0.378 nan 4.320 nan 0.000 0.295 249 A C -1.967 175.581 177.584 -0.058 0.000 1.040 249 A CA -0.326 51.677 52.037 -0.057 0.000 0.707 249 A CB 1.644 20.608 19.000 -0.059 0.000 1.235 249 A HN 0.240 8.358 8.150 -0.053 0.000 0.418 250 N N 2.905 121.565 118.700 -0.067 0.000 3.277 250 N HA 0.116 nan 4.740 nan 0.000 0.278 250 N C -0.100 175.360 175.510 -0.083 0.000 1.544 250 N CA -0.791 52.224 53.050 -0.058 0.000 0.869 250 N CB 0.874 39.337 38.487 -0.041 0.000 1.584 250 N HN -0.007 8.209 8.380 -0.081 0.116 0.564 251 Q N -2.700 117.060 119.800 -0.067 0.000 2.226 251 Q HA -0.218 nan 4.340 nan 0.000 0.204 251 Q C 1.603 177.540 176.000 -0.105 0.000 0.975 251 Q CA 3.583 59.335 55.803 -0.085 0.000 0.866 251 Q CB -0.442 28.268 28.738 -0.046 0.000 0.915 251 Q HN 0.499 8.743 8.270 -0.044 0.000 0.440 252 Q N -1.981 117.771 119.800 -0.080 0.000 2.187 252 Q HA -0.117 nan 4.340 nan 0.000 0.199 252 Q C 0.520 176.462 176.000 -0.096 0.000 0.957 252 Q CA 1.781 57.541 55.803 -0.071 0.000 0.857 252 Q CB 0.678 29.390 28.738 -0.043 0.000 0.929 252 Q HN -0.458 7.898 8.270 -0.065 -0.125 0.453 253 K N -2.361 117.973 120.400 -0.110 0.000 2.814 253 K HA 0.446 nan 4.320 nan 0.000 0.205 253 K C -2.794 173.715 176.600 -0.152 0.000 1.093 253 K CA -2.989 53.225 56.287 -0.122 0.000 1.035 253 K CB 0.297 32.755 32.500 -0.069 0.000 1.220 253 K HN -0.196 8.173 8.250 -0.099 -0.178 0.576 254 P HA 0.274 nan 4.420 nan 0.000 0.275 254 P C -1.992 175.237 177.300 -0.119 0.000 1.228 254 P CA -0.489 62.451 63.100 -0.266 0.000 0.786 254 P CB 0.586 31.960 31.700 -0.543 0.000 0.927 255 L N 3.381 124.590 121.223 -0.024 0.000 2.292 255 L HA 0.742 nan 4.340 nan 0.000 0.284 255 L C -2.081 174.838 176.870 0.082 0.000 1.065 255 L CA -0.820 54.034 54.840 0.023 0.000 0.806 255 L CB 1.880 43.935 42.059 -0.007 0.000 1.175 255 L HN 0.504 8.712 8.230 -0.036 0.000 0.431 256 L N 7.969 129.216 121.223 0.041 0.000 2.415 256 L HA 0.631 nan 4.340 nan 0.000 0.268 256 L C -2.096 174.624 176.870 -0.251 0.000 0.984 256 L CA -0.892 53.903 54.840 -0.076 0.000 0.853 256 L CB 3.296 45.286 42.059 -0.115 0.000 1.215 256 L HN 0.865 9.105 8.230 0.017 0.000 0.419 257 G N 5.687 114.287 108.800 -0.334 0.000 2.347 257 G HA2 0.611 nan 3.960 nan 0.000 0.314 257 G HA3 0.611 nan 3.960 nan 0.000 0.314 257 G C -2.488 171.801 174.900 -1.018 0.000 1.126 257 G CA -1.163 43.490 45.100 -0.744 0.000 0.929 257 G HN 0.989 9.144 8.290 -0.225 0.000 0.441 258 L N 5.752 126.401 121.223 -0.956 0.000 2.301 258 L HA 0.395 nan 4.340 nan 0.000 0.278 258 L C -0.785 175.735 176.870 -0.584 0.000 1.022 258 L CA -0.952 53.495 54.840 -0.655 0.000 0.854 258 L CB 0.096 41.838 42.059 -0.528 0.000 1.226 258 L HN 0.473 8.191 8.230 -0.854 0.000 0.429 259 F N 2.165 122.068 119.950 -0.078 0.000 2.664 259 F HA 0.087 nan 4.527 nan 0.000 0.303 259 F C -0.416 175.362 175.800 -0.037 0.000 1.092 259 F CA -0.581 57.387 58.000 -0.054 0.000 1.305 259 F CB 0.622 39.594 39.000 -0.046 0.000 1.054 259 F HN 0.481 8.645 8.300 -0.227 0.000 0.565 260 A N -2.904 119.962 122.820 0.077 0.000 2.597 260 A HA 0.130 nan 4.320 nan 0.000 0.292 260 A C -1.251 176.352 177.584 0.030 0.000 1.057 260 A CA -0.532 51.541 52.037 0.060 0.000 0.674 260 A CB 2.187 21.232 19.000 0.075 0.000 1.278 260 A HN -0.831 7.261 8.150 0.003 0.059 0.416 261 D N 1.633 122.054 120.400 0.035 0.000 2.123 261 D HA -0.171 nan 4.640 nan 0.000 0.200 261 D C 1.169 177.506 176.300 0.061 0.000 0.976 261 D CA 3.613 57.637 54.000 0.041 0.000 0.831 261 D CB 0.392 41.215 40.800 0.038 0.000 0.974 261 D HN 0.575 8.968 8.370 0.038 0.000 0.469 262 G N -2.159 106.678 108.800 0.062 0.000 3.410 262 G HA2 0.059 nan 3.960 nan 0.000 0.189 262 G HA3 0.059 nan 3.960 nan 0.000 0.189 262 G C -1.328 173.615 174.900 0.073 0.000 1.404 262 G CA -0.495 44.652 45.100 0.078 0.000 0.898 262 G HN -0.242 8.080 8.290 0.054 0.000 0.650 263 N N -0.091 118.651 118.700 0.070 0.000 2.525 263 N HA 0.099 nan 4.740 nan 0.000 0.271 263 N C -0.159 175.384 175.510 0.055 0.000 1.194 263 N CA 0.104 53.192 53.050 0.064 0.000 0.964 263 N CB 0.638 39.162 38.487 0.062 0.000 1.126 263 N HN 0.012 8.433 8.380 0.069 0.000 0.452 264 M N 2.500 122.132 119.600 0.053 0.000 2.232 264 M HA 0.111 nan 4.480 nan 0.000 0.321 264 M C -1.494 174.822 176.300 0.026 0.000 1.101 264 M CA -0.261 55.067 55.300 0.046 0.000 1.181 264 M CB -0.211 32.414 32.600 0.043 0.000 1.432 264 M HN 0.442 8.764 8.290 0.053 0.000 0.457 265 P HA -0.057 nan 4.420 nan 0.000 0.269 265 P C -1.708 175.592 177.300 0.001 0.000 1.209 265 P CA -0.131 62.977 63.100 0.014 0.000 0.776 265 P CB 0.244 31.954 31.700 0.016 0.000 0.876 266 V N 0.446 120.364 119.914 0.007 0.000 2.924 266 V HA 0.061 nan 4.120 nan 0.000 0.305 266 V C 0.483 176.577 176.094 0.000 0.000 1.073 266 V CA -0.060 62.236 62.300 -0.007 0.000 1.098 266 V CB 0.160 31.988 31.823 0.009 0.000 1.000 266 V HN 0.071 8.271 8.190 0.017 0.000 0.484 267 R N 3.732 124.201 120.500 -0.051 0.000 2.075 267 R HA 0.005 nan 4.340 nan 0.000 0.226 267 R C -0.815 175.594 176.300 0.182 0.000 1.114 267 R CA 2.965 59.040 56.100 -0.042 0.000 0.972 267 R CB 1.712 31.845 30.300 -0.278 0.000 0.869 267 R HN -0.027 8.438 8.270 -0.105 -0.259 0.437 268 W N -6.310 114.985 121.300 -0.008 0.000 2.761 268 W HA 0.556 nan 4.660 nan 0.000 0.340 268 W C -0.384 176.125 176.519 -0.016 0.000 1.072 268 W CA -1.827 55.513 57.345 -0.008 0.000 1.215 268 W CB 1.950 31.400 29.460 -0.016 0.000 1.420 268 W HN -0.651 7.563 8.180 0.057 0.000 0.519 269 L N 0.620 121.969 121.223 0.210 0.000 2.330 269 L HA 0.476 nan 4.340 nan 0.000 0.271 269 L C -1.102 175.811 176.870 0.073 0.000 1.013 269 L CA -1.096 53.809 54.840 0.107 0.000 0.816 269 L CB 2.266 44.367 42.059 0.069 0.000 1.287 269 L HN 1.006 9.350 8.230 0.190 0.000 0.435 270 G N -1.899 106.929 108.800 0.046 0.000 2.547 270 G HA2 0.307 nan 3.960 nan 0.000 0.291 270 G HA3 0.307 nan 3.960 nan 0.000 0.291 270 G C -2.909 172.000 174.900 0.016 0.000 1.471 270 G CA -0.656 44.459 45.100 0.025 0.000 0.798 270 G HN -0.220 8.096 8.290 0.043 0.000 0.504 271 P HA 0.102 nan 4.420 nan 0.000 0.274 271 P C -1.304 175.994 177.300 -0.004 0.000 1.246 271 P CA -0.668 62.436 63.100 0.007 0.000 0.795 271 P CB 1.551 33.258 31.700 0.012 0.000 1.006 272 K N -1.212 119.180 120.400 -0.014 0.000 2.258 272 K HA -0.051 nan 4.320 nan 0.000 0.264 272 K C -0.454 176.132 176.600 -0.023 0.000 1.007 272 K CA -0.857 55.404 56.287 -0.042 0.000 0.941 272 K CB 0.869 33.343 32.500 -0.044 0.000 0.966 272 K HN -0.079 8.167 8.250 -0.007 0.000 0.480 273 A N 3.967 126.758 122.820 -0.048 0.000 2.425 273 A HA 0.194 nan 4.320 nan 0.000 0.249 273 A C -0.628 176.978 177.584 0.037 0.000 1.084 273 A CA 0.243 52.296 52.037 0.027 0.000 0.781 273 A CB 0.852 19.904 19.000 0.087 0.000 1.019 273 A HN 0.300 8.369 8.150 -0.135 0.000 0.490 274 T N -1.070 113.524 114.554 0.067 0.000 2.907 274 T HA 0.225 nan 4.350 nan 0.000 0.290 274 T C -1.770 172.994 174.700 0.108 0.000 1.066 274 T CA -1.924 60.224 62.100 0.081 0.000 1.012 274 T CB 2.224 71.132 68.868 0.067 0.000 1.184 274 T HN 0.243 8.526 8.240 0.073 0.000 0.522 275 Y N 2.183 122.482 120.300 -0.001 0.000 2.677 275 Y HA -0.291 nan 4.550 nan 0.000 0.335 275 Y C -0.380 175.519 175.900 -0.003 0.000 1.162 275 Y CA 1.831 59.895 58.100 -0.061 0.000 1.483 275 Y CB -0.302 38.078 38.460 -0.133 0.000 1.209 275 Y HN 0.088 8.496 8.280 0.213 0.000 0.528 276 H N 3.622 122.379 119.070 -0.521 0.000 2.899 276 H HA -0.268 nan 4.556 nan 0.000 0.282 276 H C 0.903 176.138 175.328 -0.155 0.000 1.198 276 H CA 0.715 56.529 56.048 -0.390 0.000 1.140 276 H CB -2.537 26.927 29.762 -0.497 0.000 1.317 276 H HN 0.617 8.671 8.280 -0.377 0.000 0.375 277 G N -1.714 107.107 108.800 0.034 0.000 2.462 277 G HA2 -0.438 nan 3.960 nan 0.000 0.220 277 G HA3 -0.438 nan 3.960 nan 0.000 0.220 277 G C 0.326 175.244 174.900 0.029 0.000 1.121 277 G CA 1.920 47.044 45.100 0.041 0.000 0.758 277 G HN 0.163 8.449 8.290 0.030 0.022 0.559 278 N N 0.278 118.990 118.700 0.021 0.000 2.354 278 N HA -0.124 nan 4.740 nan 0.000 0.179 278 N C 0.699 176.197 175.510 -0.021 0.000 1.021 278 N CA 2.164 55.218 53.050 0.007 0.000 0.887 278 N CB -0.352 38.138 38.487 0.005 0.000 0.974 278 N HN -0.547 7.824 8.380 0.027 0.026 0.437 279 I N -0.527 120.014 120.570 -0.049 0.000 2.494 279 I HA -0.085 nan 4.170 nan 0.000 0.250 279 I C 1.407 177.500 176.117 -0.039 0.000 1.112 279 I CA 1.757 63.008 61.300 -0.082 0.000 1.438 279 I CB -0.216 37.664 38.000 -0.200 0.000 1.111 279 I HN -0.235 7.808 8.210 -0.041 0.142 0.431 280 D N -1.484 118.910 120.400 -0.011 0.000 2.338 280 D HA 0.091 nan 4.640 nan 0.000 0.208 280 D C -0.158 176.150 176.300 0.014 0.000 0.997 280 D CA 1.274 55.280 54.000 0.009 0.000 0.880 280 D CB 1.006 41.826 40.800 0.034 0.000 0.980 280 D HN -0.159 8.210 8.370 -0.002 0.000 0.509 281 K N -0.179 120.231 120.400 0.016 0.000 2.221 281 K HA 0.375 nan 4.320 nan 0.000 0.243 281 K C -2.330 174.279 176.600 0.016 0.000 0.968 281 K CA -2.412 53.886 56.287 0.019 0.000 0.846 281 K CB 1.807 34.322 32.500 0.026 0.000 1.141 281 K HN -0.495 7.763 8.250 0.014 0.000 0.434 282 P HA -0.060 nan 4.420 nan 0.000 0.270 282 P C -1.391 175.922 177.300 0.022 0.000 1.227 282 P CA -0.052 63.057 63.100 0.015 0.000 0.788 282 P CB 0.281 31.988 31.700 0.012 0.000 0.926 283 A N -0.217 122.617 122.820 0.023 0.000 2.388 283 A HA 0.162 nan 4.320 nan 0.000 0.257 283 A C 0.311 177.920 177.584 0.042 0.000 1.095 283 A CA -0.278 51.781 52.037 0.036 0.000 0.791 283 A CB 0.718 19.739 19.000 0.034 0.000 1.029 283 A HN -0.065 8.095 8.150 0.017 0.000 0.489 284 V N 2.707 122.657 119.914 0.059 0.000 2.567 284 V HA 0.143 nan 4.120 nan 0.000 0.289 284 V C -0.432 175.719 176.094 0.096 0.000 1.049 284 V CA -0.035 62.300 62.300 0.058 0.000 0.969 284 V CB 1.746 33.598 31.823 0.049 0.000 0.995 284 V HN 0.465 8.589 8.190 0.070 0.108 0.471 285 T N 5.501 120.094 114.554 0.065 0.000 2.786 285 T HA 0.401 nan 4.350 nan 0.000 0.283 285 T C -0.379 174.333 174.700 0.020 0.000 0.992 285 T CA -0.822 61.330 62.100 0.087 0.000 0.954 285 T CB 0.537 69.416 68.868 0.017 0.000 0.934 285 T HN 0.115 8.376 8.240 0.034 0.000 0.440 286 c N 6.440 125.038 118.600 -0.004 0.000 2.676 286 c HA 0.096 nan 4.570 nan 0.000 0.416 286 c C -0.064 173.875 174.090 -0.251 0.000 1.299 286 c CA 0.035 56.273 56.329 -0.150 0.000 2.048 286 c CB 0.329 42.669 42.510 -0.284 0.000 2.713 286 c HN 0.496 8.826 8.230 0.167 0.000 0.624 287 T N 3.702 118.154 114.554 -0.170 0.000 2.856 287 T HA 0.515 nan 4.350 nan 0.000 0.283 287 T C -2.764 171.869 174.700 -0.112 0.000 1.008 287 T CA -2.601 59.406 62.100 -0.155 0.000 0.997 287 T CB 1.328 70.161 68.868 -0.060 0.000 0.992 287 T HN 0.389 8.584 8.240 -0.075 0.000 0.454 288 P HA -0.009 nan 4.420 nan 0.000 0.266 288 P C -1.777 175.595 177.300 0.120 0.000 1.195 288 P CA -0.084 63.088 63.100 0.121 0.000 0.768 288 P CB 0.504 32.261 31.700 0.095 0.000 0.838 289 N N 3.950 122.749 118.700 0.165 0.000 2.411 289 N HA 0.200 nan 4.740 nan 0.000 0.259 289 N C 0.024 175.575 175.510 0.068 0.000 1.103 289 N CA -2.847 50.263 53.050 0.101 0.000 0.954 289 N CB 0.271 38.816 38.487 0.097 0.000 1.085 289 N HN 0.116 8.638 8.380 0.236 0.000 0.485 290 P HA -0.233 nan 4.420 nan 0.000 0.219 290 P C 0.727 178.045 177.300 0.029 0.000 1.146 290 P CA 2.141 65.261 63.100 0.033 0.000 0.808 290 P CB 0.295 32.010 31.700 0.025 0.000 0.779 291 Q N -3.537 116.282 119.800 0.031 0.000 2.403 291 Q HA -0.052 nan 4.340 nan 0.000 0.203 291 Q C 1.133 177.146 176.000 0.023 0.000 0.932 291 Q CA 0.631 56.449 55.803 0.025 0.000 0.945 291 Q CB -0.007 28.746 28.738 0.025 0.000 1.045 291 Q HN -0.205 8.359 8.270 0.035 -0.273 0.511 292 R N -2.227 118.289 120.500 0.027 0.000 2.241 292 R HA -0.213 nan 4.340 nan 0.000 0.224 292 R C 0.248 176.547 176.300 -0.000 0.000 1.101 292 R CA 0.713 56.822 56.100 0.014 0.000 0.995 292 R CB -0.093 30.221 30.300 0.023 0.000 0.870 292 R HN -0.472 7.672 8.270 0.038 0.150 0.463 293 N N -0.502 118.201 118.700 0.005 0.000 4.188 293 N HA -0.260 nan 4.740 nan 0.000 0.325 293 N C 0.805 176.305 175.510 -0.016 0.000 2.031 293 N CA 1.010 54.059 53.050 -0.002 0.000 3.095 293 N CB 0.112 38.599 38.487 0.000 0.000 0.283 293 N HN -0.662 7.700 8.380 0.015 0.027 0.862 294 D N 3.737 124.130 120.400 -0.012 0.000 2.312 294 D HA -0.068 nan 4.640 nan 0.000 0.211 294 D C 0.891 177.173 176.300 -0.029 0.000 0.964 294 D CA 2.033 56.022 54.000 -0.019 0.000 0.877 294 D CB 0.101 40.895 40.800 -0.010 0.000 0.924 294 D HN 0.421 8.789 8.370 -0.004 0.000 0.515 295 S N -3.380 112.307 115.700 -0.022 0.000 2.548 295 S HA 0.056 nan 4.470 nan 0.000 0.215 295 S C -0.433 174.140 174.600 -0.045 0.000 0.976 295 S CA 0.519 58.706 58.200 -0.021 0.000 0.908 295 S CB 1.351 64.552 63.200 0.002 0.000 0.781 295 S HN -0.393 8.203 8.310 -0.013 -0.294 0.519 296 V N 5.102 124.975 119.914 -0.068 0.000 2.350 296 V HA 0.322 nan 4.120 nan 0.000 0.276 296 V C -1.807 174.163 176.094 -0.207 0.000 1.028 296 V CA -3.326 58.901 62.300 -0.121 0.000 0.860 296 V CB -0.113 31.673 31.823 -0.062 0.000 0.990 296 V HN -0.446 7.541 8.190 -0.057 0.169 0.453 297 P HA 0.120 nan 4.420 nan 0.000 0.269 297 P C -1.296 175.838 177.300 -0.276 0.000 1.209 297 P CA -0.316 62.563 63.100 -0.367 0.000 0.776 297 P CB 0.451 31.798 31.700 -0.588 0.000 0.876 298 T N -2.676 111.765 114.554 -0.187 0.000 2.788 298 T HA 0.217 nan 4.350 nan 0.000 0.280 298 T C 0.863 175.476 174.700 -0.146 0.000 0.984 298 T CA -1.384 60.630 62.100 -0.143 0.000 0.972 298 T CB 1.813 70.618 68.868 -0.105 0.000 1.039 298 T HN 0.030 8.489 8.240 -0.166 -0.318 0.530 299 L N 1.332 122.483 121.223 -0.120 0.000 2.083 299 L HA -0.300 nan 4.340 nan 0.000 0.209 299 L C 0.942 177.748 176.870 -0.106 0.000 1.083 299 L CA 3.414 58.189 54.840 -0.108 0.000 0.752 299 L CB -0.524 41.473 42.059 -0.103 0.000 0.899 299 L HN -0.004 8.324 8.230 -0.115 -0.167 0.433 300 A N -2.788 119.971 122.820 -0.103 0.000 1.902 300 A HA -0.404 nan 4.320 nan 0.000 0.217 300 A C 2.312 179.841 177.584 -0.093 0.000 1.181 300 A CA 3.182 55.165 52.037 -0.091 0.000 0.623 300 A CB -0.972 17.981 19.000 -0.078 0.000 0.818 300 A HN 0.256 8.340 8.150 -0.104 0.004 0.443 301 Q N -1.333 118.404 119.800 -0.105 0.000 2.046 301 Q HA -0.380 nan 4.340 nan 0.000 0.200 301 Q C 2.630 178.558 176.000 -0.120 0.000 0.975 301 Q CA 3.124 58.861 55.803 -0.111 0.000 0.836 301 Q CB -0.005 28.655 28.738 -0.131 0.000 0.896 301 Q HN -0.490 7.630 8.270 -0.111 0.083 0.428 302 M N -0.860 118.658 119.600 -0.136 0.000 2.117 302 M HA -0.425 nan 4.480 nan 0.000 0.262 302 M C 2.338 178.582 176.300 -0.094 0.000 1.065 302 M CA 4.527 59.761 55.300 -0.109 0.000 1.114 302 M CB -0.078 32.466 32.600 -0.093 0.000 1.361 302 M HN 0.305 8.503 8.290 -0.152 0.000 0.408 303 T N 2.404 116.899 114.554 -0.099 0.000 2.720 303 T HA -0.377 nan 4.350 nan 0.000 0.268 303 T C 1.723 176.343 174.700 -0.133 0.000 1.037 303 T CA 5.354 67.389 62.100 -0.109 0.000 1.144 303 T CB -0.884 67.926 68.868 -0.096 0.000 0.864 303 T HN 0.186 8.367 8.240 -0.099 0.000 0.444 304 D N 1.349 121.680 120.400 -0.115 0.000 2.117 304 D HA -0.218 nan 4.640 nan 0.000 0.198 304 D C 1.910 178.128 176.300 -0.137 0.000 0.982 304 D CA 3.671 57.600 54.000 -0.118 0.000 0.828 304 D CB 0.268 41.018 40.800 -0.083 0.000 0.967 304 D HN -0.196 8.035 8.370 -0.102 0.077 0.464 305 K N -0.378 119.951 120.400 -0.117 0.000 2.057 305 K HA -0.257 nan 4.320 nan 0.000 0.206 305 K C 1.863 178.373 176.600 -0.150 0.000 1.050 305 K CA 2.504 58.725 56.287 -0.110 0.000 0.935 305 K CB -0.414 32.041 32.500 -0.074 0.000 0.715 305 K HN -0.110 8.076 8.250 -0.106 0.000 0.439 306 A N -0.537 122.185 122.820 -0.162 0.000 1.883 306 A HA -0.255 nan 4.320 nan 0.000 0.217 306 A C 2.273 179.632 177.584 -0.375 0.000 1.186 306 A CA 3.153 55.060 52.037 -0.216 0.000 0.624 306 A CB -0.881 18.011 19.000 -0.181 0.000 0.822 306 A HN -0.113 7.956 8.150 -0.135 0.000 0.444 307 I N -1.813 118.506 120.570 -0.418 0.000 2.226 307 I HA -0.609 nan 4.170 nan 0.000 0.245 307 I C 1.927 177.709 176.117 -0.559 0.000 1.100 307 I CA 4.181 65.085 61.300 -0.660 0.000 1.374 307 I CB -0.277 37.365 38.000 -0.597 0.000 1.057 307 I HN 0.234 8.258 8.210 -0.311 0.000 0.413 308 E N 0.797 120.802 120.200 -0.326 0.000 2.023 308 E HA -0.367 nan 4.350 nan 0.000 0.196 308 E C 2.541 179.021 176.600 -0.201 0.000 1.003 308 E CA 3.532 59.809 56.400 -0.205 0.000 0.809 308 E CB 0.017 29.641 29.700 -0.127 0.000 0.755 308 E HN -0.508 7.612 8.360 -0.275 0.075 0.449 309 L N -1.444 119.657 121.223 -0.203 0.000 2.017 309 L HA -0.321 nan 4.340 nan 0.000 0.208 309 L C 3.151 179.895 176.870 -0.209 0.000 1.073 309 L CA 2.801 57.541 54.840 -0.166 0.000 0.745 309 L CB -0.067 41.910 42.059 -0.138 0.000 0.894 309 L HN -0.064 8.042 8.230 -0.207 0.000 0.432 310 L N -1.683 119.321 121.223 -0.364 0.000 2.131 310 L HA -0.289 nan 4.340 nan 0.000 0.210 310 L C 2.405 179.049 176.870 -0.377 0.000 1.092 310 L CA 2.435 56.999 54.840 -0.461 0.000 0.759 310 L CB -1.266 40.258 42.059 -0.891 0.000 0.903 310 L HN 0.336 8.314 8.230 -0.420 0.000 0.435 311 S N -1.078 114.396 115.700 -0.377 0.000 2.515 311 S HA -0.271 nan 4.470 nan 0.000 0.231 311 S C 1.832 176.483 174.600 0.085 0.000 0.987 311 S CA 3.050 61.258 58.200 0.014 0.000 0.936 311 S CB -0.556 62.692 63.200 0.079 0.000 0.766 311 S HN 0.074 8.100 8.310 -0.474 0.000 0.528 312 K N -0.176 120.227 120.400 0.004 0.000 2.365 312 K HA -0.173 nan 4.320 nan 0.000 0.199 312 K C 0.241 176.868 176.600 0.046 0.000 1.045 312 K CA 1.146 57.448 56.287 0.025 0.000 0.962 312 K CB -0.167 32.329 32.500 -0.008 0.000 0.759 312 K HN -0.793 7.374 8.250 -0.066 0.044 0.469 313 N N 0.951 119.689 118.700 0.063 0.000 2.402 313 N HA -0.026 nan 4.740 nan 0.000 0.252 313 N C 0.749 176.326 175.510 0.111 0.000 1.118 313 N CA -0.959 52.139 53.050 0.080 0.000 0.945 313 N CB 0.060 38.602 38.487 0.092 0.000 1.147 313 N HN -0.598 7.769 8.380 0.057 0.047 0.495 314 E N 6.048 126.296 120.200 0.081 0.000 2.273 314 E HA -0.275 nan 4.350 nan 0.000 0.198 314 E C 0.905 177.550 176.600 0.075 0.000 1.002 314 E CA 2.287 58.733 56.400 0.076 0.000 0.828 314 E CB -0.417 29.314 29.700 0.052 0.000 0.747 314 E HN 0.185 8.582 8.360 0.062 0.000 0.491 315 K N -1.999 118.446 120.400 0.075 0.000 2.217 315 K HA -0.117 nan 4.320 nan 0.000 0.202 315 K C 0.370 177.015 176.600 0.075 0.000 1.051 315 K CA 0.575 56.900 56.287 0.064 0.000 0.952 315 K CB 0.784 33.319 32.500 0.057 0.000 0.736 315 K HN -0.154 8.471 8.250 0.075 -0.331 0.453 316 G N -2.705 106.171 108.800 0.126 0.000 2.408 316 G HA2 -0.196 nan 3.960 nan 0.000 0.682 316 G HA3 -0.196 nan 3.960 nan 0.000 0.682 316 G C -2.686 172.349 174.900 0.225 0.000 1.303 316 G CA -0.495 44.680 45.100 0.125 0.000 0.966 316 G HN -0.457 7.799 8.290 0.155 0.127 0.560 317 F N -4.527 115.473 119.950 0.084 0.000 2.662 317 F HA 1.100 nan 4.527 nan 0.000 0.312 317 F C -2.853 173.026 175.800 0.133 0.000 1.113 317 F CA -2.784 55.268 58.000 0.087 0.000 0.951 317 F CB 3.297 42.316 39.000 0.032 0.000 1.344 317 F HN -0.168 8.167 8.300 -0.271 -0.198 0.462 318 F N 0.575 120.674 119.950 0.247 0.000 2.507 318 F HA 0.838 nan 4.527 nan 0.000 0.325 318 F C -2.900 173.056 175.800 0.260 0.000 1.116 318 F CA -1.928 56.162 58.000 0.149 0.000 0.930 318 F CB 3.836 42.883 39.000 0.080 0.000 1.146 318 F HN 0.387 8.983 8.300 0.493 0.000 0.447 319 L N 7.089 127.988 121.223 -0.541 0.000 2.410 319 L HA 0.674 nan 4.340 nan 0.000 0.270 319 L C -3.092 173.388 176.870 -0.649 0.000 0.983 319 L CA -1.022 53.601 54.840 -0.363 0.000 0.822 319 L CB 4.417 46.449 42.059 -0.044 0.000 1.285 319 L HN 0.656 8.454 8.230 -0.721 0.000 0.409 320 Q N 6.025 125.594 119.800 -0.385 0.000 2.316 320 Q HA 0.771 nan 4.340 nan 0.000 0.264 320 Q C -2.186 173.765 176.000 -0.081 0.000 0.987 320 Q CA -1.554 54.130 55.803 -0.198 0.000 0.852 320 Q CB 3.963 32.743 28.738 0.069 0.000 1.287 320 Q HN 0.419 8.568 8.270 -0.201 0.000 0.448 321 V N 6.254 126.120 119.914 -0.080 0.000 2.588 321 V HA 0.581 nan 4.120 nan 0.000 0.304 321 V C -2.339 173.727 176.094 -0.047 0.000 1.042 321 V CA -1.212 61.052 62.300 -0.061 0.000 0.877 321 V CB 2.607 34.380 31.823 -0.084 0.000 0.996 321 V HN 0.865 8.994 8.190 -0.102 0.000 0.425 322 E N 6.714 126.900 120.200 -0.023 0.000 2.191 322 E HA 0.586 nan 4.350 nan 0.000 0.263 322 E C -0.964 175.617 176.600 -0.031 0.000 0.881 322 E CA -2.105 54.285 56.400 -0.017 0.000 0.757 322 E CB 4.086 33.805 29.700 0.033 0.000 1.147 322 E HN 0.486 8.838 8.360 -0.013 0.000 0.414 323 G N 4.296 113.063 108.800 -0.055 0.000 2.639 323 G HA2 0.273 nan 3.960 nan 0.000 0.312 323 G HA3 0.273 nan 3.960 nan 0.000 0.312 323 G C -1.178 173.701 174.900 -0.035 0.000 0.911 323 G CA -0.689 44.371 45.100 -0.066 0.000 1.410 323 G HN 0.684 8.934 8.290 -0.068 0.000 0.469 324 A N 6.548 129.363 122.820 -0.009 0.000 1.898 324 A HA 0.041 nan 4.320 nan 0.000 0.214 324 A C 1.801 179.409 177.584 0.040 0.000 1.183 324 A CA 2.247 54.300 52.037 0.027 0.000 0.622 324 A CB 0.342 19.368 19.000 0.042 0.000 0.824 324 A HN 0.452 8.594 8.150 -0.014 0.000 0.444 325 S N -0.710 114.999 115.700 0.015 0.000 2.660 325 S HA -0.150 nan 4.470 nan 0.000 0.223 325 S C 1.342 175.945 174.600 0.005 0.000 0.963 325 S CA 1.176 59.390 58.200 0.024 0.000 0.932 325 S CB -0.569 62.634 63.200 0.005 0.000 0.775 325 S HN -0.202 8.104 8.310 -0.008 0.000 0.531 326 I N 3.116 123.681 120.570 -0.009 0.000 2.113 326 I HA -0.545 nan 4.170 nan 0.000 0.238 326 I C 1.198 177.308 176.117 -0.011 0.000 1.070 326 I CA 4.243 65.528 61.300 -0.026 0.000 1.332 326 I CB -0.352 37.631 38.000 -0.029 0.000 1.044 326 I HN -0.625 7.501 8.210 -0.010 0.078 0.402 327 D N -0.521 119.924 120.400 0.075 0.000 2.104 327 D HA -0.360 nan 4.640 nan 0.000 0.194 327 D C 2.301 178.706 176.300 0.175 0.000 0.994 327 D CA 3.790 57.904 54.000 0.190 0.000 0.830 327 D CB -0.052 40.951 40.800 0.338 0.000 0.959 327 D HN -0.287 8.133 8.370 0.084 0.000 0.452 328 K N -1.685 118.841 120.400 0.211 0.000 2.009 328 K HA -0.319 nan 4.320 nan 0.000 0.210 328 K C 2.810 179.488 176.600 0.130 0.000 1.049 328 K CA 2.819 59.250 56.287 0.240 0.000 0.929 328 K CB -0.525 32.063 32.500 0.148 0.000 0.714 328 K HN -0.784 7.566 8.250 0.165 0.000 0.440 329 Q N -1.840 117.979 119.800 0.032 0.000 2.230 329 Q HA -0.197 nan 4.340 nan 0.000 0.202 329 Q C 2.468 178.414 176.000 -0.090 0.000 0.963 329 Q CA 2.469 58.259 55.803 -0.022 0.000 0.866 329 Q CB -0.617 28.105 28.738 -0.025 0.000 0.931 329 Q HN -0.262 8.024 8.270 0.027 0.000 0.452 330 D N 0.368 120.670 120.400 -0.165 0.000 2.117 330 D HA -0.231 nan 4.640 nan 0.000 0.198 330 D C 2.985 179.125 176.300 -0.266 0.000 0.982 330 D CA 3.231 57.054 54.000 -0.296 0.000 0.828 330 D CB 0.136 40.460 40.800 -0.794 0.000 0.967 330 D HN 0.029 8.233 8.370 -0.152 0.075 0.464 331 H N -0.184 118.838 119.070 -0.080 0.000 2.353 331 H HA -0.191 nan 4.556 nan 0.000 0.300 331 H C 2.044 177.345 175.328 -0.045 0.000 1.090 331 H CA 3.043 59.132 56.048 0.069 0.000 1.327 331 H CB 0.107 29.954 29.762 0.141 0.000 1.383 331 H HN -0.081 8.049 8.280 -0.114 0.082 0.508 332 A N -3.407 119.438 122.820 0.041 0.000 2.235 332 A HA -0.060 nan 4.320 nan 0.000 0.208 332 A C -0.953 176.509 177.584 -0.203 0.000 1.172 332 A CA -0.323 51.684 52.037 -0.051 0.000 0.786 332 A CB -0.844 18.141 19.000 -0.026 0.000 0.804 332 A HN -0.234 7.892 8.150 0.072 0.067 0.479 333 A N -2.791 119.773 122.820 -0.427 0.000 2.704 333 A HA -0.367 nan 4.320 nan 0.000 0.299 333 A C -1.445 175.734 177.584 -0.675 0.000 1.507 333 A CA 0.747 52.174 52.037 -1.016 0.000 0.776 333 A CB -1.931 16.651 19.000 -0.697 0.000 1.027 333 A HN -0.589 7.148 8.150 -0.340 0.208 0.475 334 N N -1.678 116.800 118.700 -0.370 0.000 2.706 334 N HA 0.468 nan 4.740 nan 0.000 0.240 334 N C -1.889 173.600 175.510 -0.035 0.000 1.039 334 N CA -3.243 49.720 53.050 -0.145 0.000 0.888 334 N CB 1.150 39.589 38.487 -0.080 0.000 1.128 334 N HN -0.091 8.084 8.380 -0.333 0.005 0.512 335 P HA -0.251 nan 4.420 nan 0.000 0.215 335 P C 1.008 178.324 177.300 0.027 0.000 1.163 335 P CA 2.416 65.581 63.100 0.109 0.000 0.894 335 P CB 0.255 32.027 31.700 0.120 0.000 0.791 336 c N -4.137 114.470 118.600 0.012 0.000 2.429 336 c HA -0.231 nan 4.570 nan 0.000 0.277 336 c C 2.879 177.039 174.090 0.116 0.000 1.262 336 c CA 4.400 60.769 56.329 0.066 0.000 1.733 336 c CB -1.961 40.591 42.510 0.070 0.000 2.010 336 c HN 0.291 8.528 8.230 0.011 0.000 0.483 337 G N -0.465 108.366 108.800 0.053 0.000 2.421 337 G HA2 -0.389 nan 3.960 nan 0.000 0.216 337 G HA3 -0.389 nan 3.960 nan 0.000 0.216 337 G C 0.665 175.541 174.900 -0.040 0.000 1.171 337 G CA 1.883 46.991 45.100 0.014 0.000 0.775 337 G HN 0.246 8.878 8.290 0.036 -0.321 0.543 338 Q N 2.223 122.008 119.800 -0.025 0.000 2.002 338 Q HA -0.363 nan 4.340 nan 0.000 0.204 338 Q C 2.432 178.390 176.000 -0.070 0.000 0.988 338 Q CA 3.173 58.954 55.803 -0.037 0.000 0.843 338 Q CB -0.055 28.689 28.738 0.009 0.000 0.908 338 Q HN -0.486 7.781 8.270 -0.005 0.000 0.420 339 I N -1.286 119.254 120.570 -0.050 0.000 2.226 339 I HA -0.497 nan 4.170 nan 0.000 0.245 339 I C 1.940 177.882 176.117 -0.293 0.000 1.100 339 I CA 3.470 64.733 61.300 -0.063 0.000 1.374 339 I CB -0.253 37.760 38.000 0.021 0.000 1.057 339 I HN 0.334 8.536 8.210 -0.013 0.000 0.413 340 G N -0.937 107.580 108.800 -0.472 0.000 2.440 340 G HA2 -0.380 nan 3.960 nan 0.000 0.218 340 G HA3 -0.380 nan 3.960 nan 0.000 0.218 340 G C 1.235 175.759 174.900 -0.627 0.000 1.154 340 G CA 2.407 46.868 45.100 -1.065 0.000 0.767 340 G HN 0.245 8.414 8.290 -0.203 0.000 0.552 341 E N 0.766 120.760 120.200 -0.344 0.000 2.208 341 E HA -0.110 nan 4.350 nan 0.000 0.193 341 E C 2.684 179.139 176.600 -0.241 0.000 0.988 341 E CA 2.386 58.638 56.400 -0.247 0.000 0.828 341 E CB -0.587 29.024 29.700 -0.149 0.000 0.763 341 E HN -0.274 7.826 8.360 -0.265 0.101 0.478 342 T N 3.599 118.012 114.554 -0.236 0.000 2.821 342 T HA -0.169 nan 4.350 nan 0.000 0.267 342 T C 2.190 176.668 174.700 -0.370 0.000 1.046 342 T CA 4.790 66.734 62.100 -0.260 0.000 1.139 342 T CB -0.384 68.379 68.868 -0.175 0.000 0.871 342 T HN -0.272 7.774 8.240 -0.206 0.070 0.454 343 V N 2.489 122.204 119.914 -0.332 0.000 2.295 343 V HA -0.493 nan 4.120 nan 0.000 0.246 343 V C 1.385 177.317 176.094 -0.270 0.000 1.049 343 V CA 4.758 66.893 62.300 -0.275 0.000 1.024 343 V CB -0.987 30.659 31.823 -0.296 0.000 0.648 343 V HN 0.104 8.090 8.190 -0.341 0.000 0.447 344 D N -0.183 120.042 120.400 -0.291 0.000 2.106 344 D HA -0.340 nan 4.640 nan 0.000 0.191 344 D C 2.362 178.543 176.300 -0.198 0.000 0.997 344 D CA 4.001 57.868 54.000 -0.223 0.000 0.834 344 D CB 0.176 40.846 40.800 -0.216 0.000 0.956 344 D HN -0.267 7.886 8.370 -0.361 0.000 0.448 345 L N -1.013 120.077 121.223 -0.222 0.000 2.046 345 L HA -0.315 nan 4.340 nan 0.000 0.208 345 L C 1.191 177.920 176.870 -0.235 0.000 1.077 345 L CA 2.868 57.583 54.840 -0.209 0.000 0.747 345 L CB -0.033 41.898 42.059 -0.214 0.000 0.896 345 L HN -0.271 7.814 8.230 -0.242 0.000 0.432 346 D N -1.067 119.140 120.400 -0.323 0.000 2.158 346 D HA -0.424 nan 4.640 nan 0.000 0.197 346 D C 2.113 178.299 176.300 -0.190 0.000 0.995 346 D CA 3.834 57.633 54.000 -0.334 0.000 0.846 346 D CB -0.045 40.452 40.800 -0.505 0.000 0.941 346 D HN -0.102 8.040 8.370 -0.381 0.000 0.456 347 E N -1.187 118.923 120.200 -0.150 0.000 2.077 347 E HA -0.352 nan 4.350 nan 0.000 0.193 347 E C 2.209 178.753 176.600 -0.094 0.000 0.989 347 E CA 3.017 59.359 56.400 -0.096 0.000 0.800 347 E CB -0.225 29.427 29.700 -0.081 0.000 0.746 347 E HN -0.414 7.836 8.360 -0.171 0.007 0.452 348 A N -0.217 122.536 122.820 -0.111 0.000 1.902 348 A HA -0.141 nan 4.320 nan 0.000 0.217 348 A C 2.305 179.835 177.584 -0.090 0.000 1.181 348 A CA 2.971 54.949 52.037 -0.098 0.000 0.623 348 A CB -0.853 18.083 19.000 -0.106 0.000 0.818 348 A HN -0.651 7.337 8.150 -0.131 0.084 0.443 349 V N -0.687 119.160 119.914 -0.111 0.000 2.407 349 V HA -0.550 nan 4.120 nan 0.000 0.248 349 V C 2.365 178.412 176.094 -0.079 0.000 1.055 349 V CA 4.380 66.620 62.300 -0.101 0.000 1.049 349 V CB -1.301 30.439 31.823 -0.138 0.000 0.662 349 V HN 0.361 8.469 8.190 -0.137 0.000 0.455 350 Q N -1.062 118.689 119.800 -0.080 0.000 2.050 350 Q HA -0.380 nan 4.340 nan 0.000 0.202 350 Q C 2.444 178.427 176.000 -0.029 0.000 0.980 350 Q CA 3.628 59.397 55.803 -0.056 0.000 0.840 350 Q CB -0.350 28.360 28.738 -0.047 0.000 0.898 350 Q HN -0.032 8.086 8.270 -0.096 0.095 0.424 351 R N -1.357 119.127 120.500 -0.027 0.000 2.083 351 R HA -0.334 nan 4.340 nan 0.000 0.237 351 R C 2.231 178.553 176.300 0.036 0.000 1.137 351 R CA 2.499 58.596 56.100 -0.004 0.000 0.951 351 R CB -0.786 29.495 30.300 -0.031 0.000 0.851 351 R HN -0.281 7.962 8.270 -0.045 0.000 0.434 352 A N -0.227 122.606 122.820 0.021 0.000 1.908 352 A HA -0.200 nan 4.320 nan 0.000 0.218 352 A C 2.469 180.127 177.584 0.122 0.000 1.181 352 A CA 2.998 55.083 52.037 0.079 0.000 0.627 352 A CB -0.774 18.245 19.000 0.032 0.000 0.818 352 A HN 0.068 8.208 8.150 -0.015 0.000 0.445 353 L N -1.902 119.338 121.223 0.027 0.000 2.093 353 L HA -0.358 nan 4.340 nan 0.000 0.208 353 L C 2.283 179.135 176.870 -0.030 0.000 1.085 353 L CA 2.620 57.433 54.840 -0.045 0.000 0.755 353 L CB -0.694 41.294 42.059 -0.120 0.000 0.904 353 L HN 0.168 8.395 8.230 -0.005 0.000 0.435 354 E N -0.314 119.897 120.200 0.019 0.000 2.058 354 E HA -0.456 nan 4.350 nan 0.000 0.194 354 E C 2.596 179.250 176.600 0.091 0.000 0.997 354 E CA 3.308 59.730 56.400 0.036 0.000 0.801 354 E CB -0.209 29.521 29.700 0.049 0.000 0.746 354 E HN -0.154 8.219 8.360 0.021 0.000 0.450 355 F N 0.124 120.083 119.950 0.015 0.000 2.069 355 F HA -0.438 nan 4.527 nan 0.000 0.298 355 F C 1.023 176.864 175.800 0.068 0.000 1.113 355 F CA 3.198 61.227 58.000 0.049 0.000 1.214 355 F CB 0.038 39.084 39.000 0.076 0.000 0.978 355 F HN -0.414 8.050 8.300 0.273 0.000 0.474 356 A N -1.431 121.432 122.820 0.070 0.000 1.940 356 A HA -0.439 nan 4.320 nan 0.000 0.219 356 A C 2.107 179.720 177.584 0.048 0.000 1.176 356 A CA 3.287 55.339 52.037 0.024 0.000 0.631 356 A CB -1.013 18.135 19.000 0.247 0.000 0.814 356 A HN 0.227 8.540 8.150 0.271 0.000 0.446 357 K N -1.046 119.364 120.400 0.017 0.000 2.009 357 K HA -0.323 nan 4.320 nan 0.000 0.210 357 K C 2.475 179.067 176.600 -0.013 0.000 1.049 357 K CA 2.905 59.206 56.287 0.024 0.000 0.929 357 K CB 0.015 32.485 32.500 -0.050 0.000 0.714 357 K HN -0.051 8.175 8.250 -0.017 0.014 0.440 358 K N -2.918 117.436 120.400 -0.077 0.000 2.167 358 K HA -0.108 nan 4.320 nan 0.000 0.203 358 K C 1.812 178.320 176.600 -0.155 0.000 1.052 358 K CA 1.858 58.092 56.287 -0.089 0.000 0.956 358 K CB 0.293 32.754 32.500 -0.066 0.000 0.735 358 K HN -0.619 7.580 8.250 -0.084 0.000 0.451 359 E N -0.591 119.419 120.200 -0.317 0.000 2.152 359 E HA -0.155 nan 4.350 nan 0.000 0.192 359 E C 1.374 177.857 176.600 -0.195 0.000 0.983 359 E CA 0.613 56.794 56.400 -0.364 0.000 0.818 359 E CB 0.576 29.780 29.700 -0.828 0.000 0.758 359 E HN -0.116 8.003 8.360 -0.403 0.000 0.467 360 G N -1.183 107.537 108.800 -0.134 0.000 2.189 360 G HA2 -0.384 nan 3.960 nan 0.000 0.267 360 G HA3 -0.384 nan 3.960 nan 0.000 0.267 360 G C -0.489 174.359 174.900 -0.085 0.000 0.975 360 G CA 0.832 45.888 45.100 -0.073 0.000 0.644 360 G HN 0.049 8.261 8.290 -0.129 0.000 0.537 361 N N -1.487 117.153 118.700 -0.101 0.000 2.451 361 N HA 0.178 nan 4.740 nan 0.000 0.271 361 N C -1.681 173.779 175.510 -0.083 0.000 1.410 361 N CA -0.265 52.737 53.050 -0.080 0.000 0.884 361 N CB 2.204 40.654 38.487 -0.061 0.000 1.332 361 N HN -0.201 8.238 8.380 -0.136 -0.141 0.498 362 T N 1.658 116.165 114.554 -0.078 0.000 2.807 362 T HA 0.417 nan 4.350 nan 0.000 0.279 362 T C -1.404 173.282 174.700 -0.023 0.000 0.993 362 T CA -0.168 61.904 62.100 -0.047 0.000 0.970 362 T CB 1.619 70.503 68.868 0.026 0.000 0.950 362 T HN -0.371 7.822 8.240 -0.078 0.000 0.441 363 L N 7.823 129.029 121.223 -0.028 0.000 2.264 363 L HA 0.465 nan 4.340 nan 0.000 0.289 363 L C -2.055 174.831 176.870 0.026 0.000 1.044 363 L CA -0.867 53.967 54.840 -0.011 0.000 0.807 363 L CB 1.838 43.892 42.059 -0.008 0.000 1.192 363 L HN 0.391 8.590 8.230 -0.051 0.000 0.425 364 V N 8.431 128.392 119.914 0.078 0.000 2.459 364 V HA 0.661 nan 4.120 nan 0.000 0.295 364 V C -1.403 174.712 176.094 0.034 0.000 1.029 364 V CA -1.200 61.142 62.300 0.071 0.000 0.874 364 V CB 1.599 33.502 31.823 0.132 0.000 0.985 364 V HN 0.907 9.159 8.190 0.103 0.000 0.438 365 I N 6.414 126.971 120.570 -0.021 0.000 2.498 365 I HA 0.658 nan 4.170 nan 0.000 0.290 365 I C -1.898 174.156 176.117 -0.105 0.000 1.032 365 I CA -0.932 60.334 61.300 -0.057 0.000 1.073 365 I CB 3.648 41.609 38.000 -0.065 0.000 1.251 365 I HN 0.340 8.526 8.210 -0.040 0.000 0.426 366 V N 6.755 126.595 119.914 -0.123 0.000 2.531 366 V HA 0.776 nan 4.120 nan 0.000 0.301 366 V C -1.902 174.072 176.094 -0.199 0.000 1.034 366 V CA -1.285 60.922 62.300 -0.155 0.000 0.865 366 V CB 2.334 34.080 31.823 -0.128 0.000 0.995 366 V HN 0.776 8.900 8.190 -0.110 0.000 0.424 367 T N 7.276 121.685 114.554 -0.241 0.000 2.653 367 T HA 0.782 nan 4.350 nan 0.000 0.306 367 T C -2.702 171.860 174.700 -0.230 0.000 1.426 367 T CA -0.919 61.014 62.100 -0.279 0.000 1.008 367 T CB 3.202 71.804 68.868 -0.442 0.000 1.692 367 T HN 0.433 8.529 8.240 -0.241 0.000 0.483 368 A N -0.521 122.200 122.820 -0.164 0.000 2.435 368 A HA 0.707 nan 4.320 nan 0.000 0.296 368 A C -0.999 176.552 177.584 -0.055 0.000 1.147 368 A CA -2.245 49.724 52.037 -0.112 0.000 0.775 368 A CB 2.683 21.656 19.000 -0.045 0.000 1.340 368 A HN 0.263 8.319 8.150 -0.157 0.000 0.427 369 N N -0.244 118.379 118.700 -0.128 0.000 2.251 369 N HA -0.133 nan 4.740 nan 0.000 0.181 369 N C -0.697 174.614 175.510 -0.332 0.000 1.019 369 N CA 1.023 54.037 53.050 -0.060 0.000 0.862 369 N CB 0.637 39.072 38.487 -0.086 0.000 0.992 369 N HN 0.753 9.022 8.380 -0.185 0.000 0.429 370 H N -5.639 113.258 119.070 -0.289 0.000 2.960 370 H HA 0.276 nan 4.556 nan 0.000 0.323 370 H C -2.272 172.927 175.328 -0.214 0.000 1.326 370 H CA -2.348 53.328 56.048 -0.620 0.000 1.124 370 H CB 1.868 31.335 29.762 -0.492 0.000 1.853 370 H HN -0.839 7.153 8.280 -0.481 0.000 0.536 371 A N -2.370 120.547 122.820 0.162 0.000 2.271 371 A HA 0.203 nan 4.320 nan 0.000 0.288 371 A C -1.348 176.357 177.584 0.203 0.000 1.094 371 A CA -0.981 51.188 52.037 0.219 0.000 0.828 371 A CB 1.809 20.956 19.000 0.245 0.000 1.091 371 A HN 0.028 8.283 8.150 0.175 0.000 0.493 372 H N 0.192 119.335 119.070 0.123 0.000 3.196 372 H HA 0.327 nan 4.556 nan 0.000 0.303 372 H C -0.813 174.553 175.328 0.063 0.000 1.605 372 H CA -1.169 54.929 56.048 0.084 0.000 1.351 372 H CB 3.857 33.661 29.762 0.070 0.000 1.860 372 H HN 0.004 8.440 8.280 0.260 0.000 0.697 373 A N -1.868 121.174 122.820 0.370 0.000 1.975 373 A HA 0.019 nan 4.320 nan 0.000 0.215 373 A C 0.308 177.906 177.584 0.023 0.000 1.170 373 A CA 0.946 53.100 52.037 0.195 0.000 0.656 373 A CB 0.587 19.747 19.000 0.266 0.000 0.821 373 A HN 0.020 8.628 8.150 0.569 -0.116 0.449 374 S N -1.095 114.544 115.700 -0.101 0.000 2.552 374 S HA -0.194 nan 4.470 nan 0.000 0.289 374 S C -0.462 174.009 174.600 -0.215 0.000 1.304 374 S CA 0.563 58.515 58.200 -0.413 0.000 1.063 374 S CB 0.106 63.062 63.200 -0.406 0.000 0.848 374 S HN -0.766 7.704 8.310 -0.015 -0.169 0.499 375 Q N 2.900 122.551 119.800 -0.248 0.000 2.394 375 Q HA 0.550 nan 4.340 nan 0.000 0.273 375 Q C -1.377 174.554 176.000 -0.116 0.000 1.089 375 Q CA -1.260 54.472 55.803 -0.118 0.000 0.812 375 Q CB 4.790 33.486 28.738 -0.069 0.000 1.353 375 Q HN 0.482 8.522 8.270 -0.384 0.000 0.438 376 I N 2.876 123.413 120.570 -0.055 0.000 2.312 376 I HA 0.372 nan 4.170 nan 0.000 0.291 376 I C -0.611 175.495 176.117 -0.018 0.000 1.031 376 I CA 0.452 61.734 61.300 -0.030 0.000 1.293 376 I CB -0.343 37.656 38.000 -0.002 0.000 1.403 376 I HN 0.237 8.426 8.210 -0.035 0.000 0.484 377 V N 2.985 122.890 119.914 -0.015 0.000 3.113 377 V HA 0.738 nan 4.120 nan 0.000 0.316 377 V C -1.570 174.524 176.094 0.000 0.000 1.125 377 V CA -3.407 58.890 62.300 -0.006 0.000 1.026 377 V CB 3.055 34.875 31.823 -0.005 0.000 1.080 377 V HN 0.466 8.647 8.190 -0.015 0.000 0.444 378 A N -1.016 121.804 122.820 0.000 0.000 2.483 378 A HA 0.330 nan 4.320 nan 0.000 0.238 378 A C -0.813 176.769 177.584 -0.003 0.000 1.070 378 A CA -0.892 51.144 52.037 -0.001 0.000 0.770 378 A CB -1.060 17.938 19.000 -0.003 0.000 1.008 378 A HN 0.318 8.468 8.150 0.000 0.000 0.497 379 P HA -0.204 nan 4.420 nan 0.000 0.218 379 P C -0.566 176.724 177.300 -0.017 0.000 1.148 379 P CA 2.040 65.137 63.100 -0.005 0.000 0.822 379 P CB 0.103 31.800 31.700 -0.004 0.000 0.784 380 D N -7.502 112.885 120.400 -0.023 0.000 2.328 380 D HA -0.056 nan 4.640 nan 0.000 0.221 380 D C 0.110 176.381 176.300 -0.049 0.000 1.072 380 D CA -0.311 53.666 54.000 -0.038 0.000 0.850 380 D CB -0.302 40.479 40.800 -0.032 0.000 0.922 380 D HN -0.181 8.136 8.370 -0.017 0.043 0.516 381 T N 2.989 117.523 114.554 -0.034 0.000 2.908 381 T HA -0.152 nan 4.350 nan 0.000 0.301 381 T C -0.801 173.866 174.700 -0.055 0.000 1.019 381 T CA 2.191 64.275 62.100 -0.027 0.000 1.152 381 T CB 0.310 69.175 68.868 -0.004 0.000 0.966 381 T HN -0.576 7.577 8.240 -0.023 0.073 0.540 382 K N 6.834 127.205 120.400 -0.048 0.000 2.356 382 K HA 0.115 nan 4.320 nan 0.000 0.243 382 K C -1.262 175.393 176.600 0.092 0.000 1.072 382 K CA -1.371 54.872 56.287 -0.072 0.000 1.014 382 K CB 0.018 32.469 32.500 -0.081 0.000 1.523 382 K HN 0.268 8.505 8.250 -0.022 0.000 0.455 383 A N 5.519 128.423 122.820 0.140 0.000 2.295 383 A HA 0.510 nan 4.320 nan 0.000 0.318 383 A C -1.749 175.958 177.584 0.205 0.000 1.134 383 A CA -2.894 49.230 52.037 0.144 0.000 0.827 383 A CB 0.149 19.210 19.000 0.102 0.000 1.136 383 A HN -0.109 8.121 8.150 0.134 0.000 0.493 384 P HA -0.046 nan 4.420 nan 0.000 0.227 384 P C -0.640 176.808 177.300 0.247 0.000 1.161 384 P CA 0.344 63.592 63.100 0.246 0.000 0.788 384 P CB 0.712 32.499 31.700 0.145 0.000 0.822 385 G N -0.439 108.476 108.800 0.193 0.000 2.829 385 G HA2 0.246 nan 3.960 nan 0.000 0.173 385 G HA3 0.246 nan 3.960 nan 0.000 0.173 385 G C -2.037 172.992 174.900 0.215 0.000 1.476 385 G CA -1.024 44.185 45.100 0.183 0.000 1.072 385 G HN -0.364 8.023 8.290 0.162 0.000 0.577 386 L N -1.256 120.086 121.223 0.199 0.000 2.309 386 L HA 0.492 nan 4.340 nan 0.000 0.282 386 L C -0.928 176.077 176.870 0.225 0.000 1.036 386 L CA -0.829 54.126 54.840 0.190 0.000 0.806 386 L CB 1.132 43.281 42.059 0.150 0.000 1.220 386 L HN 0.166 8.523 8.230 0.212 0.000 0.429 387 T N -1.006 113.647 114.554 0.164 0.000 2.896 387 T HA 0.763 nan 4.350 nan 0.000 0.297 387 T C -2.340 172.435 174.700 0.125 0.000 1.108 387 T CA -1.959 60.228 62.100 0.145 0.000 1.004 387 T CB 3.115 72.035 68.868 0.086 0.000 1.159 387 T HN 0.830 9.036 8.240 0.126 0.110 0.499 388 Q N 0.421 120.291 119.800 0.117 0.000 2.386 388 Q HA 0.379 nan 4.340 nan 0.000 0.274 388 Q C -2.767 173.279 176.000 0.077 0.000 1.011 388 Q CA -0.533 55.326 55.803 0.093 0.000 0.867 388 Q CB 4.159 32.963 28.738 0.111 0.000 1.409 388 Q HN 0.135 8.474 8.270 0.115 0.000 0.395 389 A N 4.691 127.548 122.820 0.062 0.000 2.292 389 A HA 0.886 nan 4.320 nan 0.000 0.319 389 A C -2.172 175.459 177.584 0.079 0.000 1.206 389 A CA -1.538 50.534 52.037 0.059 0.000 0.835 389 A CB 1.427 20.450 19.000 0.039 0.000 1.164 389 A HN 0.690 8.874 8.150 0.056 0.000 0.505 390 L N 1.147 122.435 121.223 0.109 0.000 2.354 390 L HA 0.551 nan 4.340 nan 0.000 0.269 390 L C -1.028 175.944 176.870 0.171 0.000 1.005 390 L CA -1.938 53.009 54.840 0.178 0.000 0.819 390 L CB 2.722 44.939 42.059 0.264 0.000 1.311 390 L HN 0.785 8.969 8.230 0.101 0.106 0.423 391 N N 3.265 122.068 118.700 0.171 0.000 2.420 391 N HA 0.354 nan 4.740 nan 0.000 0.249 391 N C -0.790 174.659 175.510 -0.102 0.000 1.033 391 N CA 0.589 53.663 53.050 0.040 0.000 0.944 391 N CB 1.350 39.841 38.487 0.006 0.000 1.113 391 N HN 0.528 9.048 8.380 0.234 0.000 0.502 392 T N 1.435 115.903 114.554 -0.144 0.000 2.824 392 T HA 0.415 nan 4.350 nan 0.000 0.277 392 T C 1.431 175.930 174.700 -0.335 0.000 0.975 392 T CA -1.724 60.178 62.100 -0.330 0.000 0.966 392 T CB 1.648 70.444 68.868 -0.120 0.000 1.054 392 T HN 0.362 8.564 8.240 -0.064 0.000 0.533 393 K N 0.910 121.098 120.400 -0.353 0.000 2.218 393 K HA -0.302 nan 4.320 nan 0.000 0.205 393 K C 0.795 177.312 176.600 -0.139 0.000 1.046 393 K CA 2.698 58.850 56.287 -0.225 0.000 0.933 393 K CB -0.195 32.202 32.500 -0.172 0.000 0.728 393 K HN 0.292 8.180 8.250 -0.427 0.106 0.454 394 D N -2.726 117.605 120.400 -0.114 0.000 2.363 394 D HA -0.063 nan 4.640 nan 0.000 0.220 394 D C 0.839 177.099 176.300 -0.067 0.000 0.994 394 D CA 0.250 54.205 54.000 -0.075 0.000 0.890 394 D CB 0.115 40.882 40.800 -0.055 0.000 0.906 394 D HN -0.652 7.598 8.370 -0.127 0.044 0.530 395 G N -1.103 107.648 108.800 -0.081 0.000 2.176 395 G HA2 -0.404 nan 3.960 nan 0.000 0.252 395 G HA3 -0.404 nan 3.960 nan 0.000 0.252 395 G C -1.177 173.697 174.900 -0.043 0.000 1.024 395 G CA 0.121 45.184 45.100 -0.062 0.000 0.755 395 G HN -0.119 7.923 8.290 -0.111 0.182 0.507 396 A N -1.792 121.003 122.820 -0.041 0.000 2.435 396 A HA 0.323 nan 4.320 nan 0.000 0.296 396 A C -2.109 175.470 177.584 -0.009 0.000 1.147 396 A CA -1.185 50.839 52.037 -0.021 0.000 0.775 396 A CB 2.480 21.470 19.000 -0.018 0.000 1.340 396 A HN -0.548 7.569 8.150 -0.054 0.000 0.427 397 V N 0.020 119.936 119.914 0.004 0.000 2.509 397 V HA 0.431 nan 4.120 nan 0.000 0.284 397 V C -1.005 175.108 176.094 0.032 0.000 1.047 397 V CA -0.221 62.092 62.300 0.022 0.000 0.952 397 V CB 0.787 32.620 31.823 0.017 0.000 0.988 397 V HN 0.087 8.277 8.190 0.000 0.000 0.469 398 M N 8.121 127.755 119.600 0.057 0.000 2.321 398 M HA 0.473 nan 4.480 nan 0.000 0.315 398 M C -1.911 174.425 176.300 0.059 0.000 1.052 398 M CA -0.646 54.689 55.300 0.059 0.000 0.936 398 M CB 4.114 36.766 32.600 0.088 0.000 1.639 398 M HN 0.554 8.890 8.290 0.078 0.000 0.433 399 V N 6.217 126.153 119.914 0.037 0.000 2.472 399 V HA 0.661 nan 4.120 nan 0.000 0.290 399 V C -1.235 174.868 176.094 0.016 0.000 1.037 399 V CA -0.955 61.365 62.300 0.033 0.000 0.908 399 V CB 1.347 33.182 31.823 0.020 0.000 0.985 399 V HN 0.425 8.631 8.190 0.028 0.000 0.454 400 M N 6.597 126.207 119.600 0.017 0.000 2.456 400 M HA 0.620 nan 4.480 nan 0.000 0.324 400 M C -2.113 174.144 176.300 -0.071 0.000 1.124 400 M CA -0.831 54.433 55.300 -0.060 0.000 0.959 400 M CB 3.976 36.549 32.600 -0.045 0.000 1.692 400 M HN 0.638 8.958 8.290 0.050 0.000 0.444 401 S N 0.358 115.934 115.700 -0.207 0.000 2.526 401 S HA 0.656 nan 4.470 nan 0.000 0.293 401 S C -1.759 172.647 174.600 -0.323 0.000 1.092 401 S CA -1.265 56.868 58.200 -0.112 0.000 0.980 401 S CB 2.720 65.898 63.200 -0.037 0.000 1.048 401 S HN 0.655 8.795 8.310 -0.283 0.000 0.483 402 Y N 4.848 125.175 120.300 0.045 0.000 2.349 402 Y HA 0.213 nan 4.550 nan 0.000 0.324 402 Y C -1.283 174.650 175.900 0.056 0.000 1.005 402 Y CA -0.505 57.622 58.100 0.045 0.000 1.240 402 Y CB 2.191 40.673 38.460 0.037 0.000 1.117 402 Y HN 0.697 9.122 8.280 0.243 0.000 0.463 403 G N 2.398 111.287 108.800 0.147 0.000 4.110 403 G HA2 0.031 nan 3.960 nan 0.000 0.292 403 G HA3 0.031 nan 3.960 nan 0.000 0.292 403 G C -0.409 174.549 174.900 0.096 0.000 1.020 403 G CA 0.426 45.597 45.100 0.118 0.000 0.808 403 G HN 0.483 8.839 8.290 0.110 0.000 0.474 404 N N -0.165 118.599 118.700 0.107 0.000 2.236 404 N HA 0.008 nan 4.740 nan 0.000 0.196 404 N C -0.583 174.969 175.510 0.071 0.000 1.114 404 N CA -0.106 52.994 53.050 0.082 0.000 0.859 404 N CB 1.137 39.675 38.487 0.085 0.000 0.982 404 N HN -0.354 8.318 8.380 0.138 -0.209 0.493 405 S N -0.565 115.182 115.700 0.077 0.000 2.541 405 S HA 0.134 nan 4.470 nan 0.000 0.271 405 S C -1.225 173.403 174.600 0.046 0.000 1.133 405 S CA -0.833 57.399 58.200 0.053 0.000 0.876 405 S CB 1.208 64.438 63.200 0.051 0.000 1.105 405 S HN -0.607 7.984 8.310 0.098 -0.222 0.470 406 E N 2.374 122.589 120.200 0.026 0.000 2.340 406 E HA 0.069 nan 4.350 nan 0.000 0.194 406 E C 0.844 177.447 176.600 0.006 0.000 0.996 406 E CA 0.963 57.371 56.400 0.012 0.000 0.869 406 E CB 0.298 29.997 29.700 -0.001 0.000 0.835 406 E HN 0.392 8.765 8.360 0.022 0.000 0.493 407 E N 0.805 121.009 120.200 0.007 0.000 2.346 407 E HA -0.003 nan 4.350 nan 0.000 0.317 407 E C -0.452 176.150 176.600 0.002 0.000 1.404 407 E CA -1.151 55.248 56.400 -0.001 0.000 1.534 407 E CB -2.544 27.152 29.700 -0.006 0.000 1.309 407 E HN -0.631 7.698 8.360 0.012 0.039 0.499 408 D N -1.205 119.198 120.400 0.005 0.000 4.303 408 D HA -0.579 nan 4.640 nan 0.000 0.313 408 D C 0.458 176.771 176.300 0.022 0.000 1.204 408 D CA 2.448 56.452 54.000 0.006 0.000 1.762 408 D CB -1.472 39.324 40.800 -0.006 0.000 0.999 408 D HN 0.237 8.540 8.370 0.003 0.069 0.657 409 S N 3.540 119.257 115.700 0.027 0.000 2.509 409 S HA -0.133 nan 4.470 nan 0.000 0.287 409 S C -0.822 173.866 174.600 0.146 0.000 1.248 409 S CA 1.414 59.664 58.200 0.083 0.000 1.089 409 S CB 0.129 63.331 63.200 0.003 0.000 0.900 409 S HN -0.171 8.099 8.310 0.006 0.044 0.496 410 Q N 5.938 125.862 119.800 0.206 0.000 2.296 410 Q HA -0.062 nan 4.340 nan 0.000 0.263 410 Q C 0.447 176.635 176.000 0.314 0.000 1.026 410 Q CA -1.450 54.488 55.803 0.225 0.000 0.912 410 Q CB -0.118 28.766 28.738 0.243 0.000 1.198 410 Q HN 0.076 8.343 8.270 0.177 0.110 0.407 411 E N 4.720 125.016 120.200 0.159 0.000 2.435 411 E HA -0.207 nan 4.350 nan 0.000 0.256 411 E C -0.379 176.143 176.600 -0.129 0.000 1.245 411 E CA 0.095 56.476 56.400 -0.030 0.000 0.989 411 E CB 0.843 30.508 29.700 -0.059 0.000 0.983 411 E HN 0.070 8.757 8.360 0.127 -0.251 0.480 412 H N -2.082 116.851 119.070 -0.229 0.000 2.546 412 H HA 0.165 nan 4.556 nan 0.000 0.365 412 H C -0.273 174.972 175.328 -0.138 0.000 1.220 412 H CA -0.011 55.762 56.048 -0.458 0.000 1.386 412 H CB 0.894 30.219 29.762 -0.729 0.000 1.510 412 H HN 0.157 8.004 8.280 -0.722 0.000 0.591 413 T N -3.142 111.459 114.554 0.079 0.000 2.916 413 T HA 0.259 nan 4.350 nan 0.000 0.292 413 T C 0.603 175.434 174.700 0.219 0.000 1.064 413 T CA -2.207 59.972 62.100 0.132 0.000 1.011 413 T CB 2.352 71.295 68.868 0.125 0.000 1.152 413 T HN 0.417 8.577 8.240 0.061 0.116 0.510 414 G N -0.950 107.975 108.800 0.209 0.000 2.985 414 G HA2 0.005 nan 3.960 nan 0.000 0.209 414 G HA3 0.005 nan 3.960 nan 0.000 0.209 414 G C -0.724 174.283 174.900 0.179 0.000 1.165 414 G CA -0.487 44.761 45.100 0.246 0.000 0.776 414 G HN 0.139 8.523 8.290 0.156 0.000 0.541 415 S N -1.256 114.558 115.700 0.190 0.000 2.558 415 S HA -0.144 nan 4.470 nan 0.000 0.288 415 S C -0.048 174.671 174.600 0.198 0.000 1.318 415 S CA -0.607 57.683 58.200 0.151 0.000 1.056 415 S CB 1.118 64.406 63.200 0.146 0.000 0.853 415 S HN -0.662 7.711 8.310 0.195 0.054 0.505 416 Q N 3.659 123.529 119.800 0.117 0.000 2.454 416 Q HA 0.280 nan 4.340 nan 0.000 0.247 416 Q C -0.854 175.287 176.000 0.235 0.000 1.028 416 Q CA 0.218 56.119 55.803 0.164 0.000 0.910 416 Q CB 0.570 29.382 28.738 0.124 0.000 1.276 416 Q HN 0.148 8.467 8.270 0.083 0.000 0.489 417 L N -6.892 114.508 121.223 0.295 0.000 2.491 417 L HA 0.521 nan 4.340 nan 0.000 0.254 417 L C -1.442 175.489 176.870 0.102 0.000 1.048 417 L CA -1.648 53.311 54.840 0.198 0.000 0.855 417 L CB 2.960 45.151 42.059 0.220 0.000 1.466 417 L HN -0.102 8.363 8.230 0.391 0.000 0.409 418 R N -0.463 120.053 120.500 0.028 0.000 2.585 418 R HA 0.025 nan 4.340 nan 0.000 0.275 418 R C -1.409 174.780 176.300 -0.186 0.000 1.018 418 R CA 1.265 57.338 56.100 -0.046 0.000 1.072 418 R CB 0.611 30.896 30.300 -0.025 0.000 0.953 418 R HN -0.122 8.342 8.270 0.048 -0.165 0.419 419 I N 3.469 123.903 120.570 -0.228 0.000 2.582 419 I HA 0.565 nan 4.170 nan 0.000 0.292 419 I C -2.993 173.026 176.117 -0.163 0.000 1.066 419 I CA -2.159 58.940 61.300 -0.335 0.000 1.053 419 I CB 3.865 41.512 38.000 -0.588 0.000 1.241 419 I HN -0.104 8.021 8.210 -0.142 0.000 0.421 420 A N 6.065 128.807 122.820 -0.130 0.000 2.498 420 A HA 1.051 nan 4.320 nan 0.000 0.298 420 A C -2.974 174.587 177.584 -0.038 0.000 1.075 420 A CA -1.792 50.210 52.037 -0.058 0.000 0.714 420 A CB 4.209 23.188 19.000 -0.035 0.000 1.299 420 A HN 0.787 8.840 8.150 -0.162 0.000 0.407 421 A N 0.146 122.971 122.820 0.009 0.000 2.593 421 A HA 1.039 nan 4.320 nan 0.000 0.290 421 A C -3.172 174.481 177.584 0.114 0.000 1.126 421 A CA -1.010 51.050 52.037 0.039 0.000 0.695 421 A CB 3.844 22.852 19.000 0.014 0.000 1.290 421 A HN 0.460 8.622 8.150 0.021 0.000 0.414 422 Y N -0.131 120.162 120.300 -0.011 0.000 2.479 422 Y HA 0.331 nan 4.550 nan 0.000 0.338 422 Y C -1.989 173.909 175.900 -0.004 0.000 1.055 422 Y CA -0.629 57.469 58.100 -0.005 0.000 1.023 422 Y CB 3.345 41.804 38.460 -0.002 0.000 1.287 422 Y HN 0.478 8.832 8.280 0.124 0.000 0.447 423 G N 4.317 112.622 108.800 -0.825 0.000 2.409 423 G HA2 -0.254 nan 3.960 nan 0.000 0.421 423 G HA3 -0.254 nan 3.960 nan 0.000 0.421 423 G C -3.247 171.481 174.900 -0.287 0.000 1.259 423 G CA -0.746 43.986 45.100 -0.612 0.000 1.011 423 G HN 0.136 7.940 8.290 -0.809 0.000 0.497 424 P HA -0.188 nan 4.420 nan 0.000 0.264 424 P C -0.904 176.443 177.300 0.079 0.000 1.193 424 P CA 0.807 63.886 63.100 -0.034 0.000 0.763 424 P CB -0.325 31.409 31.700 0.057 0.000 0.810 425 H N -1.568 117.459 119.070 -0.072 0.000 3.211 425 H HA -0.455 nan 4.556 nan 0.000 0.240 425 H C 1.091 176.397 175.328 -0.037 0.000 1.148 425 H CA 2.089 58.111 56.048 -0.043 0.000 1.160 425 H CB -1.543 28.201 29.762 -0.030 0.000 1.232 425 H HN 0.740 8.871 8.280 -0.249 0.000 0.321 426 A N -1.458 121.362 122.820 -0.001 0.000 2.070 426 A HA -0.292 nan 4.320 nan 0.000 0.220 426 A C 0.799 178.383 177.584 0.000 0.000 1.159 426 A CA 2.872 54.906 52.037 -0.005 0.000 0.656 426 A CB -0.709 18.265 19.000 -0.044 0.000 0.800 426 A HN -0.534 7.521 8.150 -0.050 0.065 0.453 427 A N -1.749 121.060 122.820 -0.019 0.000 2.024 427 A HA -0.303 nan 4.320 nan 0.000 0.220 427 A C 1.727 179.321 177.584 0.018 0.000 1.164 427 A CA 2.676 54.708 52.037 -0.010 0.000 0.643 427 A CB -0.852 18.129 19.000 -0.033 0.000 0.806 427 A HN 0.372 8.457 8.150 -0.047 0.037 0.451 428 N N -3.554 115.170 118.700 0.040 0.000 2.609 428 N HA -0.178 nan 4.740 nan 0.000 0.190 428 N C 0.880 176.432 175.510 0.069 0.000 1.157 428 N CA 2.133 55.223 53.050 0.066 0.000 0.918 428 N CB 0.159 38.705 38.487 0.099 0.000 0.978 428 N HN -0.422 7.943 8.380 0.043 0.040 0.448 429 V N -8.462 111.481 119.914 0.048 0.000 3.660 429 V HA 0.271 nan 4.120 nan 0.000 0.276 429 V C 0.495 176.609 176.094 0.033 0.000 1.317 429 V CA -0.509 61.815 62.300 0.040 0.000 1.097 429 V CB 0.152 31.974 31.823 -0.001 0.000 0.863 429 V HN -0.578 7.572 8.190 0.036 0.061 0.438 430 V N 1.019 120.953 119.914 0.033 0.000 2.732 430 V HA 0.008 nan 4.120 nan 0.000 0.297 430 V C 0.766 176.886 176.094 0.042 0.000 1.060 430 V CA 0.341 62.659 62.300 0.031 0.000 1.038 430 V CB -0.310 31.526 31.823 0.023 0.000 1.003 430 V HN -0.255 7.795 8.190 0.033 0.160 0.481 431 G N 3.956 112.781 108.800 0.042 0.000 2.681 431 G HA2 -0.352 nan 3.960 nan 0.000 0.220 431 G HA3 -0.352 nan 3.960 nan 0.000 0.220 431 G C -2.480 172.461 174.900 0.067 0.000 1.353 431 G CA -0.695 44.435 45.100 0.049 0.000 0.872 431 G HN 0.038 8.351 8.290 0.037 0.000 0.557 432 L N 0.579 121.846 121.223 0.073 0.000 2.319 432 L HA 0.432 nan 4.340 nan 0.000 0.280 432 L C -0.151 176.787 176.870 0.114 0.000 1.099 432 L CA 0.530 55.428 54.840 0.096 0.000 0.828 432 L CB 0.870 42.980 42.059 0.084 0.000 1.150 432 L HN -0.072 8.195 8.230 0.062 0.000 0.442 433 T N 2.255 116.905 114.554 0.160 0.000 2.693 433 T HA 0.538 nan 4.350 nan 0.000 0.278 433 T C -2.314 172.499 174.700 0.188 0.000 0.994 433 T CA -1.741 60.461 62.100 0.170 0.000 1.033 433 T CB 3.464 72.447 68.868 0.192 0.000 1.342 433 T HN 0.494 8.852 8.240 0.196 0.000 0.538 434 D N -1.084 119.404 120.400 0.147 0.000 2.433 434 D HA 0.420 nan 4.640 nan 0.000 0.236 434 D C 0.834 177.121 176.300 -0.021 0.000 1.026 434 D CA -2.099 51.922 54.000 0.034 0.000 0.884 434 D CB 3.142 43.952 40.800 0.016 0.000 1.384 434 D HN -0.240 8.424 8.370 0.165 -0.195 0.477 435 Q N 3.939 123.538 119.800 -0.336 0.000 2.152 435 Q HA -0.384 nan 4.340 nan 0.000 0.206 435 Q C 2.179 178.203 176.000 0.041 0.000 0.985 435 Q CA 3.579 59.172 55.803 -0.350 0.000 0.863 435 Q CB 0.328 28.795 28.738 -0.452 0.000 0.904 435 Q HN 0.596 8.613 8.270 -0.421 0.000 0.422 436 T N -3.602 110.972 114.554 0.033 0.000 2.915 436 T HA -0.220 nan 4.350 nan 0.000 0.269 436 T C 1.661 176.575 174.700 0.356 0.000 1.071 436 T CA 3.650 65.846 62.100 0.160 0.000 1.132 436 T CB -0.888 68.041 68.868 0.101 0.000 0.878 436 T HN -0.227 8.287 8.240 -0.060 -0.310 0.479 437 D N 2.347 122.916 120.400 0.281 0.000 2.218 437 D HA -0.189 nan 4.640 nan 0.000 0.204 437 D C 1.593 178.092 176.300 0.333 0.000 0.976 437 D CA 3.442 57.635 54.000 0.321 0.000 0.853 437 D CB -0.396 40.533 40.800 0.214 0.000 0.939 437 D HN -0.251 8.089 8.370 0.182 0.139 0.481 438 L N -0.630 120.783 121.223 0.318 0.000 2.083 438 L HA -0.265 nan 4.340 nan 0.000 0.209 438 L C 1.038 178.057 176.870 0.249 0.000 1.083 438 L CA 2.781 57.791 54.840 0.283 0.000 0.752 438 L CB -0.329 41.935 42.059 0.342 0.000 0.899 438 L HN -0.473 7.799 8.230 0.315 0.147 0.433 439 F N -0.227 119.793 119.950 0.116 0.000 2.095 439 F HA -0.484 nan 4.527 nan 0.000 0.298 439 F C 1.055 176.742 175.800 -0.188 0.000 1.104 439 F CA 4.053 62.009 58.000 -0.073 0.000 1.232 439 F CB -0.148 38.710 39.000 -0.237 0.000 0.987 439 F HN -0.791 7.764 8.300 0.425 0.000 0.475 440 Y N -3.184 117.168 120.300 0.086 0.000 2.293 440 Y HA -0.419 nan 4.550 nan 0.000 0.291 440 Y C 2.500 178.354 175.900 -0.078 0.000 1.137 440 Y CA 4.163 62.240 58.100 -0.038 0.000 1.202 440 Y CB -0.683 37.836 38.460 0.098 0.000 0.990 440 Y HN -0.597 7.914 8.280 0.386 0.000 0.537 441 T N 3.283 117.903 114.554 0.111 0.000 2.708 441 T HA -0.383 nan 4.350 nan 0.000 0.266 441 T C 1.987 176.657 174.700 -0.051 0.000 1.037 441 T CA 5.170 67.305 62.100 0.058 0.000 1.146 441 T CB -0.472 68.459 68.868 0.105 0.000 0.865 441 T HN 0.375 8.724 8.240 0.181 0.000 0.435 442 M N 0.940 120.489 119.600 -0.085 0.000 2.132 442 M HA -0.411 nan 4.480 nan 0.000 0.263 442 M C 1.526 177.688 176.300 -0.230 0.000 1.065 442 M CA 4.375 59.606 55.300 -0.114 0.000 1.122 442 M CB -0.218 32.351 32.600 -0.051 0.000 1.365 442 M HN 0.044 8.298 8.290 -0.059 0.000 0.411 443 K N -0.001 120.161 120.400 -0.396 0.000 2.009 443 K HA -0.384 nan 4.320 nan 0.000 0.210 443 K C 1.975 178.426 176.600 -0.249 0.000 1.049 443 K CA 3.584 59.621 56.287 -0.417 0.000 0.929 443 K CB 0.070 32.163 32.500 -0.679 0.000 0.714 443 K HN 0.091 8.034 8.250 -0.513 0.000 0.440 444 A N -2.334 120.369 122.820 -0.194 0.000 1.930 444 A HA -0.145 nan 4.320 nan 0.000 0.217 444 A C 2.573 179.969 177.584 -0.314 0.000 1.175 444 A CA 2.676 54.616 52.037 -0.163 0.000 0.627 444 A CB -0.927 18.029 19.000 -0.073 0.000 0.815 444 A HN -0.052 7.991 8.150 -0.178 0.000 0.443 445 A N -0.169 122.399 122.820 -0.421 0.000 1.902 445 A HA -0.207 nan 4.320 nan 0.000 0.217 445 A C 1.713 179.097 177.584 -0.333 0.000 1.181 445 A CA 2.790 54.440 52.037 -0.644 0.000 0.623 445 A CB -0.462 18.314 19.000 -0.373 0.000 0.818 445 A HN -0.014 7.959 8.150 -0.295 0.000 0.443 446 L N -5.784 115.312 121.223 -0.211 0.000 2.554 446 L HA -0.155 nan 4.340 nan 0.000 0.226 446 L C 0.152 176.955 176.870 -0.112 0.000 1.137 446 L CA -0.808 53.953 54.840 -0.131 0.000 0.863 446 L CB -0.388 41.609 42.059 -0.104 0.000 0.985 446 L HN -0.317 7.785 8.230 -0.214 0.000 0.451 447 G N -2.061 106.661 108.800 -0.130 0.000 2.160 447 G HA2 -0.387 nan 3.960 nan 0.000 0.251 447 G HA3 -0.387 nan 3.960 nan 0.000 0.251 447 G C -0.376 174.481 174.900 -0.073 0.000 1.008 447 G CA 0.265 45.313 45.100 -0.086 0.000 0.724 447 G HN -0.655 7.338 8.290 -0.175 0.193 0.514 448 L N 0.414 121.577 121.223 -0.100 0.000 2.436 448 L HA -0.029 nan 4.340 nan 0.000 0.265 448 L C -0.932 175.896 176.870 -0.070 0.000 1.168 448 L CA 0.502 55.288 54.840 -0.091 0.000 0.815 448 L CB 0.665 42.640 42.059 -0.140 0.000 1.109 448 L HN -0.362 7.762 8.230 -0.132 0.027 0.462 449 K N 0.000 120.376 120.400 -0.040 0.000 2.780 449 K HA 0.000 nan 4.320 nan 0.000 0.191 449 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 449 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 449 K HN 0.000 8.227 8.250 -0.038 0.000 0.543