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 1rad_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.571 177.584 -0.021 0.000 1.274 1 A CA 0.000 51.978 52.037 -0.098 0.000 0.836 1 A CB 0.000 18.945 19.000 -0.092 0.000 0.831 2 N N 2.771 121.470 118.700 -0.001 0.000 2.444 2 N HA 0.471 5.211 4.740 -0.000 0.000 0.255 2 N C -1.096 174.461 175.510 0.079 0.000 1.255 2 N CA -0.701 52.374 53.050 0.041 0.000 0.933 2 N CB 0.636 39.151 38.487 0.046 0.000 1.143 2 N HN 0.253 nan 8.380 nan 0.000 0.453 3 P HA -0.152 nan 4.420 nan 0.000 0.218 3 P C 0.912 178.253 177.300 0.069 0.000 1.148 3 P CA 1.268 64.405 63.100 0.062 0.000 0.822 3 P CB 0.160 31.887 31.700 0.045 0.000 0.784 4 L N -2.583 118.687 121.223 0.079 0.000 2.558 4 L HA 0.063 4.403 4.340 -0.000 0.000 0.225 4 L C 1.176 178.089 176.870 0.072 0.000 1.128 4 L CA -0.415 54.461 54.840 0.061 0.000 0.868 4 L CB -0.847 41.248 42.059 0.061 0.000 1.006 4 L HN -0.078 nan 8.230 nan 0.000 0.454 5 Y N 2.323 122.617 120.300 -0.011 0.000 2.802 5 Y HA -0.155 4.395 4.550 -0.000 0.000 0.333 5 Y C 1.156 177.031 175.900 -0.042 0.000 1.244 5 Y CA 0.157 58.246 58.100 -0.018 0.000 1.558 5 Y CB -0.182 38.271 38.460 -0.011 0.000 1.233 5 Y HN 0.198 nan 8.280 nan 0.000 0.547 6 Q N 2.078 121.480 119.800 -0.663 0.000 2.457 6 Q HA -0.307 4.033 4.340 -0.000 0.000 0.283 6 Q C -0.533 175.219 176.000 -0.413 0.000 1.234 6 Q CA 1.115 56.546 55.803 -0.620 0.000 0.877 6 Q CB -0.485 27.734 28.738 -0.865 0.000 1.250 6 Q HN 0.701 nan 8.270 nan 0.000 0.481 7 K N -0.035 120.193 120.400 -0.286 0.000 2.090 7 K HA 0.346 4.666 4.320 -0.000 0.000 0.249 7 K C -0.342 176.061 176.600 -0.328 0.000 0.995 7 K CA -0.808 55.312 56.287 -0.278 0.000 0.914 7 K CB 0.696 33.133 32.500 -0.105 0.000 1.057 7 K HN 0.144 nan 8.250 nan 0.000 0.462 8 H N 1.610 120.665 119.070 -0.025 0.000 2.517 8 H HA 0.207 4.763 4.556 -0.000 0.000 0.317 8 H C -0.281 175.051 175.328 0.007 0.000 1.080 8 H CA -0.469 55.570 56.048 -0.016 0.000 1.301 8 H CB 0.808 30.557 29.762 -0.021 0.000 1.425 8 H HN 0.215 nan 8.280 nan 0.000 0.471 9 I N 5.662 126.301 120.570 0.116 0.000 2.316 9 I HA -0.011 4.159 4.170 -0.000 0.000 0.286 9 I C 1.041 177.222 176.117 0.106 0.000 1.107 9 I CA -0.109 61.252 61.300 0.101 0.000 1.219 9 I CB -0.169 37.895 38.000 0.107 0.000 1.455 9 I HN 0.521 nan 8.210 nan 0.000 0.498 10 I N 1.695 122.322 120.570 0.095 0.000 3.039 10 I HA 0.126 4.296 4.170 -0.000 0.000 0.270 10 I C 1.032 177.193 176.117 0.073 0.000 1.150 10 I CA 0.755 62.097 61.300 0.070 0.000 1.448 10 I CB 0.023 38.050 38.000 0.044 0.000 1.197 10 I HN 0.437 nan 8.210 nan 0.000 0.450 11 S N -0.616 115.128 115.700 0.073 0.000 2.556 11 S HA 0.435 4.905 4.470 -0.000 0.000 0.271 11 S C 0.276 174.922 174.600 0.077 0.000 1.135 11 S CA -0.513 57.731 58.200 0.073 0.000 0.858 11 S CB 1.604 64.836 63.200 0.054 0.000 1.114 11 S HN 0.016 nan 8.310 nan 0.000 0.468 12 I N 3.235 123.855 120.570 0.084 0.000 2.546 12 I HA 0.069 4.239 4.170 -0.000 0.000 0.255 12 I C 1.423 177.581 176.117 0.068 0.000 1.163 12 I CA 1.224 62.574 61.300 0.084 0.000 1.457 12 I CB -0.235 37.821 38.000 0.093 0.000 1.092 12 I HN 0.641 nan 8.210 nan 0.000 0.434 13 N N 0.749 119.485 118.700 0.059 0.000 2.609 13 N HA -0.099 4.640 4.740 -0.000 0.000 0.190 13 N C 0.748 176.280 175.510 0.037 0.000 1.157 13 N CA 0.760 53.837 53.050 0.044 0.000 0.918 13 N CB -0.272 38.239 38.487 0.039 0.000 0.978 13 N HN 0.415 nan 8.380 nan 0.000 0.448 14 D N -0.329 120.096 120.400 0.042 0.000 2.389 14 D HA 0.134 4.774 4.640 -0.000 0.000 0.206 14 D C 0.277 176.601 176.300 0.039 0.000 1.055 14 D CA 0.090 54.112 54.000 0.037 0.000 0.856 14 D CB 0.908 41.732 40.800 0.041 0.000 0.957 14 D HN 0.190 nan 8.370 nan 0.000 0.509 15 L N 1.516 122.767 121.223 0.047 0.000 2.295 15 L HA 0.262 4.601 4.340 -0.000 0.000 0.285 15 L C 0.931 177.823 176.870 0.037 0.000 1.035 15 L CA -0.585 54.285 54.840 0.050 0.000 0.806 15 L CB 1.664 43.764 42.059 0.069 0.000 1.214 15 L HN -0.126 nan 8.230 nan 0.000 0.426 16 S N 2.857 118.570 115.700 0.023 0.000 2.661 16 S HA 0.283 4.752 4.470 -0.000 0.000 0.265 16 S C 1.081 175.668 174.600 -0.021 0.000 1.225 16 S CA -0.592 57.603 58.200 -0.008 0.000 0.986 16 S CB 1.342 64.536 63.200 -0.010 0.000 1.008 16 S HN 0.701 nan 8.310 nan 0.000 0.565 17 R N 0.381 120.819 120.500 -0.102 0.000 2.073 17 R HA -0.134 4.205 4.340 -0.000 0.000 0.234 17 R C 1.299 177.579 176.300 -0.032 0.000 1.134 17 R CA 2.084 58.065 56.100 -0.198 0.000 0.952 17 R CB -0.787 29.292 30.300 -0.369 0.000 0.850 17 R HN 0.754 nan 8.270 nan 0.000 0.433 18 D N 0.500 120.890 120.400 -0.016 0.000 2.117 18 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 18 D C 1.484 177.818 176.300 0.057 0.000 0.987 18 D CA 1.085 55.103 54.000 0.029 0.000 0.829 18 D CB -0.288 40.521 40.800 0.016 0.000 0.961 18 D HN 0.263 nan 8.370 nan 0.000 0.460 19 D N 0.847 121.277 120.400 0.051 0.000 2.104 19 D HA -0.106 4.534 4.640 -0.000 0.000 0.194 19 D C 2.454 178.810 176.300 0.094 0.000 0.994 19 D CA 0.409 54.448 54.000 0.065 0.000 0.830 19 D CB -0.328 40.505 40.800 0.056 0.000 0.959 19 D HN 0.226 nan 8.370 nan 0.000 0.452 20 L N 0.800 122.095 121.223 0.121 0.000 2.042 20 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 20 L C 2.113 179.101 176.870 0.196 0.000 1.076 20 L CA 0.955 55.903 54.840 0.179 0.000 0.749 20 L CB -0.394 41.829 42.059 0.273 0.000 0.893 20 L HN 0.005 nan 8.230 nan 0.000 0.432 21 N N -0.075 118.749 118.700 0.207 0.000 2.216 21 N HA -0.148 4.591 4.740 -0.000 0.000 0.183 21 N C 1.735 177.324 175.510 0.133 0.000 1.017 21 N CA 0.849 54.013 53.050 0.190 0.000 0.861 21 N CB -0.331 38.268 38.487 0.187 0.000 0.986 21 N HN 0.133 nan 8.380 nan 0.000 0.428 22 L N 0.983 122.270 121.223 0.106 0.000 2.012 22 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 22 L C 1.952 178.871 176.870 0.082 0.000 1.073 22 L CA 1.375 56.265 54.840 0.084 0.000 0.748 22 L CB -0.671 41.431 42.059 0.070 0.000 0.891 22 L HN -0.091 nan 8.230 nan 0.000 0.431 23 V N -0.747 119.218 119.914 0.085 0.000 2.407 23 V HA -0.257 3.862 4.120 -0.000 0.000 0.248 23 V C 2.464 178.598 176.094 0.067 0.000 1.055 23 V CA 1.594 63.934 62.300 0.066 0.000 1.049 23 V CB -0.502 31.360 31.823 0.065 0.000 0.662 23 V HN 0.370 nan 8.190 nan 0.000 0.455 24 L N -0.030 121.264 121.223 0.118 0.000 2.240 24 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 24 L C 2.441 179.425 176.870 0.190 0.000 1.106 24 L CA 1.801 56.751 54.840 0.183 0.000 0.793 24 L CB -0.926 41.275 42.059 0.236 0.000 0.927 24 L HN 0.262 nan 8.230 nan 0.000 0.446 25 A N -1.681 121.220 122.820 0.135 0.000 2.016 25 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 25 A C 2.295 179.933 177.584 0.090 0.000 1.162 25 A CA 1.812 53.919 52.037 0.116 0.000 0.662 25 A CB -0.704 18.349 19.000 0.088 0.000 0.812 25 A HN 0.375 nan 8.150 nan 0.000 0.450 26 T N 0.277 114.871 114.554 0.067 0.000 2.821 26 T HA 0.034 4.384 4.350 -0.000 0.000 0.267 26 T C 2.249 176.966 174.700 0.028 0.000 1.046 26 T CA 1.294 63.421 62.100 0.045 0.000 1.139 26 T CB -0.367 68.525 68.868 0.040 0.000 0.871 26 T HN 0.562 nan 8.240 nan 0.000 0.454 27 A N 1.615 124.422 122.820 -0.020 0.000 1.908 27 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 27 A C 2.630 180.192 177.584 -0.037 0.000 1.181 27 A CA 1.956 53.907 52.037 -0.144 0.000 0.627 27 A CB -1.109 17.545 19.000 -0.576 0.000 0.818 27 A HN 0.512 nan 8.150 nan 0.000 0.445 28 A N -0.683 122.222 122.820 0.143 0.000 1.898 28 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 28 A C 2.116 179.733 177.584 0.056 0.000 1.181 28 A CA 2.050 54.206 52.037 0.199 0.000 0.620 28 A CB -0.376 18.759 19.000 0.224 0.000 0.819 28 A HN 0.493 nan 8.150 nan 0.000 0.442 29 K N -0.398 120.029 120.400 0.046 0.000 2.025 29 K HA 0.063 4.383 4.320 -0.000 0.000 0.207 29 K C 1.789 178.398 176.600 0.016 0.000 1.049 29 K CA 1.160 57.462 56.287 0.025 0.000 0.933 29 K CB -0.322 32.197 32.500 0.032 0.000 0.714 29 K HN 0.470 nan 8.250 nan 0.000 0.438 30 L N 0.614 121.857 121.223 0.035 0.000 2.131 30 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 30 L C 2.407 179.305 176.870 0.047 0.000 1.092 30 L CA 1.161 56.044 54.840 0.072 0.000 0.759 30 L CB -0.298 41.838 42.059 0.129 0.000 0.903 30 L HN 0.163 nan 8.230 nan 0.000 0.435 31 K N 0.250 120.575 120.400 -0.125 0.000 2.057 31 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 31 K C 2.115 178.572 176.600 -0.239 0.000 1.050 31 K CA 1.270 57.238 56.287 -0.532 0.000 0.935 31 K CB -0.006 32.012 32.500 -0.804 0.000 0.715 31 K HN 0.265 nan 8.250 nan 0.000 0.439 32 A N 0.692 123.444 122.820 -0.112 0.000 1.855 32 A HA -0.052 4.268 4.320 -0.000 0.000 0.213 32 A C 0.783 178.355 177.584 -0.019 0.000 1.195 32 A CA 1.134 53.137 52.037 -0.056 0.000 0.610 32 A CB -0.272 18.709 19.000 -0.031 0.000 0.837 32 A HN 0.417 nan 8.150 nan 0.000 0.444 33 N N 0.070 118.770 118.700 0.000 0.000 2.518 33 N HA 0.455 5.195 4.740 -0.000 0.000 0.254 33 N C -3.160 172.369 175.510 0.032 0.000 0.979 33 N CA -1.835 51.224 53.050 0.015 0.000 0.930 33 N CB 1.319 39.814 38.487 0.014 0.000 1.152 33 N HN -0.049 nan 8.380 nan 0.000 0.505 34 P HA -0.025 nan 4.420 nan 0.000 0.264 34 P C -1.081 176.248 177.300 0.047 0.000 1.179 34 P CA 0.331 63.469 63.100 0.063 0.000 0.763 34 P CB 0.475 32.215 31.700 0.066 0.000 0.806 35 Q N 3.689 123.519 119.800 0.050 0.000 3.064 35 Q HA 0.188 4.528 4.340 -0.000 0.000 0.258 35 Q C -2.012 174.007 176.000 0.031 0.000 0.972 35 Q CA -1.475 54.348 55.803 0.035 0.000 0.761 35 Q CB 1.350 30.107 28.738 0.031 0.000 1.281 35 Q HN 0.393 nan 8.270 nan 0.000 0.455 36 P HA 0.043 nan 4.420 nan 0.000 0.245 36 P C 0.179 177.489 177.300 0.016 0.000 1.212 36 P CA 0.581 63.699 63.100 0.030 0.000 0.774 36 P CB 0.742 32.462 31.700 0.033 0.000 0.999 37 E N -1.185 119.016 120.200 0.003 0.000 2.715 37 E HA 0.099 4.448 4.350 -0.000 0.000 0.224 37 E C 1.315 177.896 176.600 -0.031 0.000 0.962 37 E CA -0.261 56.126 56.400 -0.023 0.000 1.145 37 E CB -0.078 29.605 29.700 -0.028 0.000 1.083 37 E HN 0.090 nan 8.360 nan 0.000 0.506 38 L N 0.603 121.820 121.223 -0.008 0.000 2.042 38 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 38 L C 1.519 178.384 176.870 -0.009 0.000 1.076 38 L CA 1.737 56.574 54.840 -0.004 0.000 0.749 38 L CB -0.049 42.019 42.059 0.014 0.000 0.893 38 L HN 0.095 nan 8.230 nan 0.000 0.432 39 L N 0.016 121.235 121.223 -0.007 0.000 2.912 39 L HA 0.142 4.482 4.340 -0.000 0.000 0.240 39 L C 0.577 177.430 176.870 -0.029 0.000 1.262 39 L CA -0.273 54.565 54.840 -0.002 0.000 1.058 39 L CB -0.494 41.573 42.059 0.013 0.000 1.383 39 L HN 0.101 nan 8.230 nan 0.000 0.512 40 K N 0.822 121.166 120.400 -0.093 0.000 2.524 40 K HA -0.083 4.237 4.320 -0.000 0.000 0.279 40 K C 0.312 176.786 176.600 -0.210 0.000 0.993 40 K CA 0.645 56.804 56.287 -0.215 0.000 1.030 40 K CB 0.101 32.382 32.500 -0.364 0.000 0.891 40 K HN 0.406 nan 8.250 nan 0.000 0.488 41 H N -0.151 118.939 119.070 0.034 0.000 3.641 41 H HA -0.155 4.400 4.556 -0.000 0.000 0.193 41 H C -0.345 175.004 175.328 0.035 0.000 1.013 41 H CA 0.749 56.817 56.048 0.033 0.000 1.212 41 H CB -0.517 29.264 29.762 0.032 0.000 1.089 41 H HN 0.451 nan 8.280 nan 0.000 0.339 42 K N 1.617 122.082 120.400 0.108 0.000 2.218 42 K HA 0.502 4.822 4.320 -0.000 0.000 0.276 42 K C 0.136 176.777 176.600 0.069 0.000 1.022 42 K CA -0.357 55.978 56.287 0.081 0.000 0.946 42 K CB 2.048 34.579 32.500 0.053 0.000 1.000 42 K HN -0.036 nan 8.250 nan 0.000 0.468 43 V N 4.444 124.398 119.914 0.067 0.000 2.555 43 V HA 0.479 4.599 4.120 -0.000 0.000 0.302 43 V C 0.070 176.192 176.094 0.047 0.000 1.038 43 V CA -0.831 61.506 62.300 0.062 0.000 0.887 43 V CB 1.690 33.566 31.823 0.089 0.000 0.991 43 V HN 0.574 nan 8.190 nan 0.000 0.434 44 I N 3.042 123.625 120.570 0.022 0.000 2.603 44 I HA 0.757 4.926 4.170 -0.000 0.000 0.300 44 I C 0.228 176.346 176.117 0.001 0.000 1.017 44 I CA -0.704 60.598 61.300 0.003 0.000 1.098 44 I CB 2.089 40.077 38.000 -0.020 0.000 1.279 44 I HN 0.674 nan 8.210 nan 0.000 0.437 45 A N 3.237 126.048 122.820 -0.014 0.000 2.290 45 A HA 0.571 4.890 4.320 -0.000 0.000 0.310 45 A C -0.207 177.332 177.584 -0.075 0.000 1.202 45 A CA -0.346 51.680 52.037 -0.018 0.000 0.837 45 A CB 1.080 20.071 19.000 -0.015 0.000 1.139 45 A HN 0.583 nan 8.150 nan 0.000 0.509 46 S N 1.894 117.546 115.700 -0.079 0.000 2.475 46 S HA 0.358 4.828 4.470 -0.000 0.000 0.249 46 S C -0.631 173.835 174.600 -0.223 0.000 1.298 46 S CA -0.509 57.655 58.200 -0.060 0.000 1.125 46 S CB -0.795 62.422 63.200 0.028 0.000 1.054 46 S HN 0.714 nan 8.310 nan 0.000 0.484 47 C N 5.567 124.600 119.300 -0.444 0.000 2.256 47 C HA 0.490 4.949 4.460 -0.000 0.000 0.333 47 C C -0.295 174.137 174.990 -0.930 0.000 1.183 47 C CA -0.750 57.668 59.018 -0.999 0.000 1.692 47 C CB -1.951 25.388 27.740 -0.669 0.000 2.274 47 C HN 0.771 nan 8.230 nan 0.000 0.509 48 F N 3.155 122.550 119.950 -0.924 0.000 2.307 48 F HA 0.374 4.900 4.527 -0.000 0.000 0.369 48 F C 0.706 176.304 175.800 -0.338 0.000 1.076 48 F CA -1.053 56.703 58.000 -0.407 0.000 1.149 48 F CB 0.287 39.139 39.000 -0.248 0.000 1.410 48 F HN 0.552 nan 8.300 nan 0.000 0.481 49 F N 0.191 120.115 119.950 -0.044 0.000 2.502 49 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 49 F C 1.215 177.016 175.800 0.002 0.000 1.111 49 F CA 0.420 58.462 58.000 0.070 0.000 1.445 49 F CB -0.059 38.876 39.000 -0.110 0.000 1.081 49 F HN 0.306 nan 8.300 nan 0.000 0.558 50 E N 0.951 121.247 120.200 0.161 0.000 2.199 50 E HA 0.586 4.936 4.350 -0.000 0.000 0.265 50 E C -0.758 175.936 176.600 0.157 0.000 0.882 50 E CA -0.978 55.491 56.400 0.114 0.000 0.759 50 E CB 1.583 31.329 29.700 0.076 0.000 1.148 50 E HN 0.019 nan 8.360 nan 0.000 0.412 51 A N 3.215 126.114 122.820 0.130 0.000 2.462 51 A HA 0.334 4.654 4.320 -0.000 0.000 0.243 51 A C 0.023 177.697 177.584 0.150 0.000 1.076 51 A CA 0.121 52.237 52.037 0.132 0.000 0.773 51 A CB 0.677 19.721 19.000 0.073 0.000 1.010 51 A HN 0.450 nan 8.150 nan 0.000 0.493 52 S N 1.443 117.236 115.700 0.155 0.000 2.397 52 S HA 0.295 4.765 4.470 -0.000 0.000 0.190 52 S C 0.885 175.473 174.600 -0.020 0.000 1.100 52 S CA 0.034 58.308 58.200 0.123 0.000 1.150 52 S CB -0.033 63.317 63.200 0.249 0.000 1.302 52 S HN 0.764 nan 8.310 nan 0.000 0.417 53 T N 4.356 118.887 114.554 -0.039 0.000 2.665 53 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 53 T C 2.153 176.813 174.700 -0.066 0.000 1.035 53 T CA 1.262 63.313 62.100 -0.082 0.000 1.151 53 T CB -0.151 68.693 68.868 -0.040 0.000 0.862 53 T HN 0.519 nan 8.240 nan 0.000 0.438 54 R N 0.824 121.324 120.500 -0.001 0.000 2.080 54 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 54 R C 2.721 179.036 176.300 0.025 0.000 1.137 54 R CA 1.775 57.889 56.100 0.023 0.000 0.943 54 R CB -1.389 28.952 30.300 0.069 0.000 0.846 54 R HN 0.405 nan 8.270 nan 0.000 0.431 55 T N 0.827 115.428 114.554 0.078 0.000 2.821 55 T HA -0.084 4.265 4.350 -0.000 0.000 0.267 55 T C 1.907 176.654 174.700 0.079 0.000 1.046 55 T CA 1.047 63.250 62.100 0.171 0.000 1.139 55 T CB -0.106 69.000 68.868 0.396 0.000 0.871 55 T HN 0.285 nan 8.240 nan 0.000 0.454 56 R N 0.597 120.926 120.500 -0.284 0.000 2.070 56 R HA 0.036 4.376 4.340 -0.000 0.000 0.233 56 R C 2.399 178.583 176.300 -0.193 0.000 1.137 56 R CA 1.097 56.844 56.100 -0.589 0.000 0.945 56 R CB -0.421 29.305 30.300 -0.956 0.000 0.845 56 R HN 0.327 nan 8.270 nan 0.000 0.430 57 L N 0.076 121.217 121.223 -0.137 0.000 2.079 57 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 57 L C 2.626 179.483 176.870 -0.022 0.000 1.081 57 L CA 1.595 56.396 54.840 -0.065 0.000 0.752 57 L CB -0.518 41.508 42.059 -0.056 0.000 0.896 57 L HN 0.344 nan 8.230 nan 0.000 0.433 58 S N -0.565 115.121 115.700 -0.024 0.000 2.371 58 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 58 S C 1.932 176.509 174.600 -0.038 0.000 1.029 58 S CA 0.697 58.864 58.200 -0.054 0.000 0.978 58 S CB -0.178 62.972 63.200 -0.084 0.000 0.833 58 S HN 0.248 nan 8.310 nan 0.000 0.466 59 F N 2.186 122.131 119.950 -0.008 0.000 2.075 59 F HA 0.043 4.570 4.527 -0.000 0.000 0.297 59 F C 2.500 178.291 175.800 -0.014 0.000 1.113 59 F CA 1.765 59.777 58.000 0.021 0.000 1.218 59 F CB -0.664 38.405 39.000 0.114 0.000 0.984 59 F HN 0.313 nan 8.300 nan 0.000 0.472 60 E N -1.064 119.247 120.200 0.185 0.000 2.118 60 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 60 E C 2.081 178.753 176.600 0.120 0.000 0.992 60 E CA 1.791 58.249 56.400 0.096 0.000 0.804 60 E CB -0.341 29.411 29.700 0.087 0.000 0.741 60 E HN 0.342 nan 8.360 nan 0.000 0.458 61 T N 0.709 115.330 114.554 0.111 0.000 2.737 61 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 61 T C 2.133 176.863 174.700 0.051 0.000 1.038 61 T CA 1.542 63.703 62.100 0.102 0.000 1.144 61 T CB -0.225 68.650 68.868 0.012 0.000 0.866 61 T HN 0.224 nan 8.240 nan 0.000 0.434 62 S N 1.336 117.032 115.700 -0.008 0.000 2.474 62 S HA 0.039 4.509 4.470 -0.000 0.000 0.235 62 S C 1.984 176.587 174.600 0.005 0.000 0.997 62 S CA 0.678 58.856 58.200 -0.037 0.000 0.949 62 S CB -0.537 62.605 63.200 -0.097 0.000 0.766 62 S HN 0.404 nan 8.310 nan 0.000 0.517 63 M N 0.746 120.347 119.600 0.001 0.000 2.193 63 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 63 M C 2.273 178.503 176.300 -0.117 0.000 1.071 63 M CA 1.173 56.433 55.300 -0.067 0.000 1.140 63 M CB -0.515 31.992 32.600 -0.154 0.000 1.369 63 M HN 0.291 nan 8.290 nan 0.000 0.423 64 H N 0.562 119.647 119.070 0.025 0.000 2.387 64 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 64 H C 1.908 177.242 175.328 0.010 0.000 1.090 64 H CA 1.261 57.318 56.048 0.015 0.000 1.332 64 H CB -0.166 29.600 29.762 0.007 0.000 1.386 64 H HN 0.318 nan 8.280 nan 0.000 0.516 65 R N 0.484 121.044 120.500 0.099 0.000 2.339 65 R HA 0.011 4.351 4.340 -0.000 0.000 0.199 65 R C 1.103 177.432 176.300 0.049 0.000 1.018 65 R CA 0.353 56.491 56.100 0.062 0.000 1.036 65 R CB 0.161 30.481 30.300 0.034 0.000 0.899 65 R HN 0.252 nan 8.270 nan 0.000 0.473 66 L N -0.912 120.333 121.223 0.037 0.000 2.857 66 L HA 0.281 4.621 4.340 -0.000 0.000 0.249 66 L C 0.921 177.803 176.870 0.020 0.000 1.172 66 L CA 0.052 54.909 54.840 0.029 0.000 0.980 66 L CB 1.021 43.095 42.059 0.025 0.000 1.299 66 L HN 0.290 nan 8.230 nan 0.000 0.535 67 G N 0.176 108.994 108.800 0.031 0.000 2.157 67 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.248 67 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.248 67 G C 0.333 175.242 174.900 0.015 0.000 0.979 67 G CA 0.028 45.144 45.100 0.027 0.000 0.650 67 G HN 0.468 nan 8.290 nan 0.000 0.529 68 A N -0.112 122.703 122.820 -0.009 0.000 2.286 68 A HA 0.843 5.163 4.320 -0.000 0.000 0.286 68 A C 0.755 178.313 177.584 -0.044 0.000 1.097 68 A CA 0.680 52.705 52.037 -0.021 0.000 0.821 68 A CB 0.817 19.797 19.000 -0.033 0.000 1.076 68 A HN 0.946 nan 8.150 nan 0.000 0.490 69 S N -0.822 114.878 115.700 -0.000 0.000 2.646 69 S HA 0.571 5.041 4.470 -0.000 0.000 0.276 69 S C -0.419 174.164 174.600 -0.029 0.000 1.222 69 S CA -0.456 57.757 58.200 0.022 0.000 1.014 69 S CB 1.266 64.505 63.200 0.065 0.000 0.991 69 S HN 0.612 nan 8.310 nan 0.000 0.533 70 V N 2.543 122.452 119.914 -0.008 0.000 2.638 70 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 70 V C -0.373 175.750 176.094 0.048 0.000 1.052 70 V CA -0.773 61.520 62.300 -0.011 0.000 0.885 70 V CB 1.524 33.306 31.823 -0.068 0.000 0.999 70 V HN 0.752 nan 8.190 nan 0.000 0.424 71 V N 1.211 121.157 119.914 0.054 0.000 2.960 71 V HA 1.158 5.278 4.120 -0.000 0.000 0.315 71 V C 0.235 176.369 176.094 0.067 0.000 1.087 71 V CA -0.023 62.324 62.300 0.077 0.000 0.982 71 V CB 1.357 33.247 31.823 0.113 0.000 1.039 71 V HN 1.417 nan 8.190 nan 0.000 0.437 72 G N 1.387 110.239 108.800 0.088 0.000 2.327 72 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 72 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 72 G C -1.675 173.281 174.900 0.093 0.000 1.290 72 G CA -0.119 45.006 45.100 0.043 0.000 0.857 72 G HN 1.973 nan 8.290 nan 0.000 0.520 73 F N -0.700 119.234 119.950 -0.028 0.000 2.619 73 F HA 0.861 5.388 4.527 -0.000 0.000 0.308 73 F C -0.132 175.656 175.800 -0.019 0.000 1.097 73 F CA -1.332 56.645 58.000 -0.039 0.000 0.953 73 F CB 1.554 40.510 39.000 -0.074 0.000 1.287 73 F HN 0.666 nan 8.300 nan 0.000 0.446 74 S N 1.043 116.762 115.700 0.032 0.000 2.549 74 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 74 S C -1.057 173.652 174.600 0.180 0.000 1.115 74 S CA -0.408 57.816 58.200 0.040 0.000 1.059 74 S CB 2.340 65.537 63.200 -0.005 0.000 1.046 74 S HN 0.869 nan 8.310 nan 0.000 0.506 75 D N 0.142 120.657 120.400 0.191 0.000 3.543 75 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 75 D C -0.569 175.803 176.300 0.120 0.000 1.444 75 D CA -0.106 54.008 54.000 0.190 0.000 1.032 75 D CB 0.185 41.153 40.800 0.280 0.000 1.283 75 D HN 0.480 nan 8.370 nan 0.000 0.639 76 S N -1.145 114.617 115.700 0.103 0.000 3.559 76 S HA 0.111 4.581 4.470 -0.000 0.000 0.369 76 S C -0.182 174.449 174.600 0.051 0.000 0.987 76 S CA 0.952 59.191 58.200 0.065 0.000 1.187 76 S CB -1.792 61.444 63.200 0.061 0.000 0.914 76 S HN 1.163 nan 8.310 nan 0.000 0.480 77 A N 0.703 123.554 122.820 0.051 0.000 2.249 77 A HA 0.449 4.769 4.320 -0.000 0.000 0.238 77 A C 0.308 177.912 177.584 0.034 0.000 1.638 77 A CA -0.024 52.036 52.037 0.037 0.000 1.716 77 A CB -0.605 18.419 19.000 0.040 0.000 0.959 77 A HN 0.443 nan 8.150 nan 0.000 0.901 78 N N 1.440 120.155 118.700 0.024 0.000 2.694 78 N HA -0.189 4.551 4.740 -0.000 0.000 0.264 78 N C 0.430 175.935 175.510 -0.007 0.000 0.971 78 N CA 1.008 54.063 53.050 0.009 0.000 0.859 78 N CB -0.093 38.396 38.487 0.002 0.000 0.952 78 N HN 0.742 nan 8.380 nan 0.000 0.575 79 T N -1.643 112.907 114.554 -0.007 0.000 3.162 79 T HA 0.102 4.452 4.350 -0.000 0.000 0.264 79 T C 1.103 175.732 174.700 -0.118 0.000 0.959 79 T CA -0.290 61.782 62.100 -0.046 0.000 1.118 79 T CB 0.714 69.577 68.868 -0.009 0.000 0.979 79 T HN 0.144 nan 8.240 nan 0.000 0.679 80 S N 1.075 116.727 115.700 -0.081 0.000 2.512 80 S HA -0.235 4.235 4.470 -0.000 0.000 0.355 80 S C 0.839 175.381 174.600 -0.097 0.000 1.118 80 S CA 1.393 59.546 58.200 -0.079 0.000 1.137 80 S CB -1.386 61.775 63.200 -0.064 0.000 0.619 80 S HN 0.906 nan 8.310 nan 0.000 0.560 81 L N -3.062 118.070 121.223 -0.151 0.000 2.343 81 L HA 0.786 5.125 4.340 -0.000 0.000 0.275 81 L C 1.166 178.009 176.870 -0.045 0.000 1.056 81 L CA -0.144 54.627 54.840 -0.114 0.000 0.804 81 L CB 1.047 42.995 42.059 -0.184 0.000 1.203 81 L HN 0.202 nan 8.230 nan 0.000 0.440 82 G N 1.413 110.201 108.800 -0.021 0.000 2.213 82 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 82 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 82 G C 0.187 175.074 174.900 -0.021 0.000 0.992 82 G CA -0.063 45.030 45.100 -0.012 0.000 0.632 82 G HN 0.643 nan 8.290 nan 0.000 0.511 83 K N 0.719 121.103 120.400 -0.027 0.000 2.202 83 K HA 0.676 4.996 4.320 -0.000 0.000 0.264 83 K C 1.048 177.633 176.600 -0.024 0.000 1.010 83 K CA 0.123 56.396 56.287 -0.025 0.000 0.940 83 K CB 0.734 33.217 32.500 -0.028 0.000 0.983 83 K HN 0.251 nan 8.250 nan 0.000 0.475 84 K N -0.168 120.219 120.400 -0.021 0.000 6.001 84 K HA -0.223 4.096 4.320 -0.000 0.000 0.277 84 K C 0.648 177.235 176.600 -0.022 0.000 0.834 84 K CA 2.254 58.530 56.287 -0.019 0.000 0.935 84 K CB -1.717 30.771 32.500 -0.019 0.000 0.754 84 K HN 0.853 nan 8.250 nan 0.000 0.818 85 G N 0.748 109.533 108.800 -0.025 0.000 5.602 85 G HA2 0.250 4.210 3.960 -0.000 0.000 0.197 85 G HA3 0.250 4.210 3.960 -0.000 0.000 0.197 85 G C -1.254 173.623 174.900 -0.038 0.000 0.705 85 G CA 0.069 45.151 45.100 -0.030 0.000 0.662 85 G HN 0.233 nan 8.290 nan 0.000 0.365 86 E N 2.615 122.793 120.200 -0.037 0.000 2.341 86 E HA 0.240 4.590 4.350 -0.000 0.000 0.256 86 E C 1.238 177.802 176.600 -0.060 0.000 1.125 86 E CA -0.037 56.337 56.400 -0.044 0.000 0.939 86 E CB 0.321 30.001 29.700 -0.033 0.000 0.991 86 E HN 0.406 nan 8.360 nan 0.000 0.458 87 T N 1.571 116.074 114.554 -0.085 0.000 2.855 87 T HA -0.084 4.266 4.350 -0.000 0.000 0.322 87 T C 1.181 175.789 174.700 -0.152 0.000 1.088 87 T CA -0.686 61.342 62.100 -0.121 0.000 1.104 87 T CB 0.758 69.536 68.868 -0.150 0.000 0.996 87 T HN 0.475 nan 8.240 nan 0.000 0.549 88 L N 2.245 123.359 121.223 -0.183 0.000 2.083 88 L HA 0.073 4.413 4.340 -0.000 0.000 0.209 88 L C 2.755 179.444 176.870 -0.302 0.000 1.083 88 L CA 2.270 56.983 54.840 -0.213 0.000 0.752 88 L CB -1.555 40.343 42.059 -0.269 0.000 0.899 88 L HN 0.962 nan 8.230 nan 0.000 0.433 89 A N -0.490 122.022 122.820 -0.512 0.000 1.884 89 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 89 A C 2.024 179.240 177.584 -0.613 0.000 1.197 89 A CA 2.242 53.643 52.037 -1.061 0.000 0.637 89 A CB -1.071 17.023 19.000 -1.509 0.000 0.827 89 A HN 0.534 nan 8.150 nan 0.000 0.450 90 D N -0.764 119.425 120.400 -0.352 0.000 2.123 90 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 90 D C 2.092 178.340 176.300 -0.087 0.000 0.992 90 D CA 1.837 55.740 54.000 -0.162 0.000 0.833 90 D CB -0.784 39.949 40.800 -0.111 0.000 0.954 90 D HN 0.458 nan 8.370 nan 0.000 0.455 91 T N 1.118 115.631 114.554 -0.069 0.000 2.684 91 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 91 T C 1.864 176.573 174.700 0.015 0.000 1.036 91 T CA 0.579 62.683 62.100 0.007 0.000 1.148 91 T CB -0.048 68.870 68.868 0.084 0.000 0.863 91 T HN 0.074 nan 8.240 nan 0.000 0.436 92 I N 1.626 122.195 120.570 -0.002 0.000 2.493 92 I HA -0.032 4.138 4.170 -0.000 0.000 0.254 92 I C 2.436 178.566 176.117 0.022 0.000 1.160 92 I CA 0.965 62.279 61.300 0.024 0.000 1.445 92 I CB -1.365 36.660 38.000 0.040 0.000 1.086 92 I HN 0.164 nan 8.210 nan 0.000 0.433 93 S N 0.241 115.956 115.700 0.025 0.000 2.428 93 S HA -0.028 4.442 4.470 -0.000 0.000 0.230 93 S C 2.163 176.768 174.600 0.009 0.000 1.014 93 S CA 0.602 58.840 58.200 0.063 0.000 0.957 93 S CB 0.048 63.307 63.200 0.099 0.000 0.784 93 S HN 0.253 nan 8.310 nan 0.000 0.499 94 V N 1.543 121.449 119.914 -0.014 0.000 2.426 94 V HA 0.051 4.171 4.120 -0.000 0.000 0.242 94 V C 2.010 177.998 176.094 -0.176 0.000 1.036 94 V CA 0.922 63.210 62.300 -0.019 0.000 1.044 94 V CB -0.456 31.387 31.823 0.033 0.000 0.688 94 V HN 0.401 nan 8.190 nan 0.000 0.462 95 I N 1.462 121.901 120.570 -0.217 0.000 2.264 95 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 95 I C 2.402 178.214 176.117 -0.508 0.000 1.111 95 I CA 1.975 62.996 61.300 -0.465 0.000 1.382 95 I CB -0.307 37.599 38.000 -0.157 0.000 1.060 95 I HN 0.458 nan 8.210 nan 0.000 0.418 96 S N -1.406 114.159 115.700 -0.226 0.000 2.603 96 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 96 S C 1.653 176.175 174.600 -0.129 0.000 0.972 96 S CA 0.790 58.902 58.200 -0.147 0.000 0.935 96 S CB -0.472 62.702 63.200 -0.043 0.000 0.769 96 S HN 0.312 nan 8.310 nan 0.000 0.536 97 T N 1.634 116.081 114.554 -0.178 0.000 3.113 97 T HA 0.076 4.426 4.350 -0.000 0.000 0.263 97 T C 0.351 175.129 174.700 0.129 0.000 1.143 97 T CA 0.823 62.917 62.100 -0.011 0.000 1.090 97 T CB -0.303 68.588 68.868 0.038 0.000 0.922 97 T HN 0.921 nan 8.240 nan 0.000 0.521 98 Y N -1.595 118.726 120.300 0.036 0.000 2.926 98 Y HA 0.504 5.054 4.550 -0.000 0.000 0.279 98 Y C -0.267 175.653 175.900 0.032 0.000 1.035 98 Y CA -1.462 56.657 58.100 0.032 0.000 1.268 98 Y CB -0.417 38.061 38.460 0.030 0.000 1.392 98 Y HN -0.011 nan 8.280 nan 0.000 0.585 99 V N -2.171 117.806 119.914 0.105 0.000 2.919 99 V HA 0.568 4.688 4.120 -0.000 0.000 0.316 99 V C -0.010 176.111 176.094 0.047 0.000 1.077 99 V CA -0.550 61.808 62.300 0.097 0.000 0.977 99 V CB 2.309 34.156 31.823 0.040 0.000 1.039 99 V HN 0.080 nan 8.190 nan 0.000 0.441 100 D N 1.254 121.681 120.400 0.046 0.000 2.350 100 D HA 0.496 5.136 4.640 -0.000 0.000 0.213 100 D C 0.567 176.872 176.300 0.008 0.000 1.031 100 D CA 1.352 55.371 54.000 0.031 0.000 0.861 100 D CB 1.249 42.075 40.800 0.043 0.000 0.926 100 D HN 1.001 nan 8.370 nan 0.000 0.520 101 A N 0.244 123.064 122.820 -0.001 0.000 2.605 101 A HA 0.590 4.910 4.320 -0.000 0.000 0.294 101 A C -1.592 175.975 177.584 -0.029 0.000 1.062 101 A CA -0.636 51.393 52.037 -0.014 0.000 0.682 101 A CB 1.009 19.999 19.000 -0.016 0.000 1.278 101 A HN 0.012 nan 8.150 nan 0.000 0.410 102 I N 1.529 122.078 120.570 -0.035 0.000 2.406 102 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 102 I C -0.722 175.321 176.117 -0.123 0.000 0.999 102 I CA -0.927 60.336 61.300 -0.062 0.000 1.124 102 I CB 1.894 39.878 38.000 -0.027 0.000 1.289 102 I HN 0.368 nan 8.210 nan 0.000 0.441 103 V N 7.681 127.468 119.914 -0.211 0.000 2.435 103 V HA 0.561 4.680 4.120 -0.000 0.000 0.290 103 V C -0.040 175.824 176.094 -0.384 0.000 1.030 103 V CA -0.471 61.605 62.300 -0.373 0.000 0.881 103 V CB 1.616 33.070 31.823 -0.615 0.000 0.983 103 V HN 0.758 nan 8.190 nan 0.000 0.445 104 M N 4.440 123.808 119.600 -0.386 0.000 2.421 104 M HA 0.720 5.200 4.480 -0.000 0.000 0.287 104 M C -1.128 174.920 176.300 -0.420 0.000 1.183 104 M CA -0.749 54.320 55.300 -0.385 0.000 0.916 104 M CB 2.489 35.062 32.600 -0.045 0.000 1.701 104 M HN 0.498 nan 8.290 nan 0.000 0.470 105 R N 1.484 121.655 120.500 -0.548 0.000 2.711 105 R HA 0.634 4.974 4.340 -0.000 0.000 0.284 105 R C -1.736 174.606 176.300 0.070 0.000 0.968 105 R CA -0.419 55.505 56.100 -0.293 0.000 0.924 105 R CB 1.439 31.493 30.300 -0.409 0.000 1.162 105 R HN 0.927 nan 8.270 nan 0.000 0.465 106 H N 3.989 123.052 119.070 -0.012 0.000 3.046 106 H HA 0.236 4.792 4.556 -0.000 0.000 0.363 106 H C -2.308 173.010 175.328 -0.017 0.000 1.203 106 H CA -1.722 54.340 56.048 0.024 0.000 1.169 106 H CB 2.833 32.525 29.762 -0.117 0.000 1.851 106 H HN 0.428 nan 8.280 nan 0.000 0.546 107 P HA -0.041 nan 4.420 nan 0.000 0.225 107 P C -0.149 177.233 177.300 0.137 0.000 1.156 107 P CA 0.730 63.877 63.100 0.078 0.000 0.787 107 P CB 1.069 32.765 31.700 -0.008 0.000 0.802 108 Q N 0.458 120.413 119.800 0.258 0.000 2.235 108 Q HA 0.228 4.568 4.340 -0.000 0.000 0.250 108 Q C -0.376 175.624 176.000 -0.000 0.000 0.909 108 Q CA -0.619 55.231 55.803 0.078 0.000 0.910 108 Q CB 0.875 29.638 28.738 0.042 0.000 1.223 108 Q HN 0.010 nan 8.270 nan 0.000 0.432 109 E N 0.198 120.389 120.200 -0.015 0.000 2.360 109 E HA 0.337 4.687 4.350 -0.000 0.000 0.269 109 E C 0.702 177.263 176.600 -0.065 0.000 1.022 109 E CA 0.966 57.349 56.400 -0.028 0.000 0.887 109 E CB 0.717 30.408 29.700 -0.014 0.000 0.990 109 E HN 0.832 nan 8.360 nan 0.000 0.426 110 G N 1.690 110.444 108.800 -0.077 0.000 2.218 110 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 110 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 110 G C 1.181 175.994 174.900 -0.145 0.000 0.994 110 G CA 0.410 45.455 45.100 -0.092 0.000 0.637 110 G HN 0.652 nan 8.290 nan 0.000 0.505 111 A N 0.654 123.334 122.820 -0.234 0.000 1.978 111 A HA 0.370 4.690 4.320 -0.000 0.000 0.220 111 A C 2.759 180.198 177.584 -0.241 0.000 1.170 111 A CA 2.808 54.617 52.037 -0.379 0.000 0.636 111 A CB -0.733 17.791 19.000 -0.793 0.000 0.810 111 A HN 1.779 nan 8.150 nan 0.000 0.448 112 A N -0.356 122.376 122.820 -0.148 0.000 1.929 112 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 112 A C 2.190 179.716 177.584 -0.097 0.000 1.176 112 A CA 1.593 53.572 52.037 -0.097 0.000 0.628 112 A CB -0.389 18.577 19.000 -0.057 0.000 0.816 112 A HN 0.573 nan 8.150 nan 0.000 0.444 113 R N -0.296 120.150 120.500 -0.090 0.000 2.090 113 R HA 0.026 4.366 4.340 -0.000 0.000 0.228 113 R C 2.038 178.285 176.300 -0.089 0.000 1.110 113 R CA 1.354 57.400 56.100 -0.090 0.000 0.973 113 R CB -0.440 29.822 30.300 -0.063 0.000 0.869 113 R HN 0.496 nan 8.270 nan 0.000 0.440 114 L N 0.358 121.537 121.223 -0.073 0.000 2.046 114 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 114 L C 2.351 179.256 176.870 0.058 0.000 1.077 114 L CA 1.746 56.583 54.840 -0.005 0.000 0.747 114 L CB -0.493 41.545 42.059 -0.036 0.000 0.896 114 L HN 0.342 nan 8.230 nan 0.000 0.432 115 A N -0.729 122.080 122.820 -0.019 0.000 1.948 115 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 115 A C 2.227 179.802 177.584 -0.016 0.000 1.177 115 A CA 2.497 54.543 52.037 0.015 0.000 0.636 115 A CB -1.279 17.700 19.000 -0.035 0.000 0.815 115 A HN 0.535 nan 8.150 nan 0.000 0.449 116 T N -0.263 114.189 114.554 -0.170 0.000 2.849 116 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 116 T C 1.583 176.116 174.700 -0.279 0.000 1.066 116 T CA 1.744 63.596 62.100 -0.413 0.000 1.130 116 T CB -0.251 68.309 68.868 -0.514 0.000 0.864 116 T HN 0.703 nan 8.240 nan 0.000 0.481 117 E N -0.700 119.379 120.200 -0.202 0.000 2.427 117 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 117 E C 0.881 177.040 176.600 -0.734 0.000 1.028 117 E CA 0.611 56.764 56.400 -0.412 0.000 0.864 117 E CB 0.081 29.527 29.700 -0.424 0.000 0.813 117 E HN 0.538 nan 8.360 nan 0.000 0.514 118 F N -1.273 118.626 119.950 -0.084 0.000 2.746 118 F HA 0.065 4.592 4.527 -0.000 0.000 0.313 118 F C 2.117 177.889 175.800 -0.047 0.000 1.095 118 F CA 0.068 58.033 58.000 -0.058 0.000 1.224 118 F CB 0.538 39.503 39.000 -0.058 0.000 1.060 118 F HN -0.071 nan 8.300 nan 0.000 0.584 119 S N -0.658 115.068 115.700 0.043 0.000 2.561 119 S HA 0.343 4.813 4.470 -0.000 0.000 0.225 119 S C 1.742 176.359 174.600 0.029 0.000 0.977 119 S CA 0.555 58.780 58.200 0.041 0.000 0.926 119 S CB -0.644 62.582 63.200 0.044 0.000 0.769 119 S HN 0.567 nan 8.310 nan 0.000 0.533 120 G N 2.955 111.758 108.800 0.005 0.000 2.595 120 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.297 120 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.297 120 G C 0.388 175.303 174.900 0.026 0.000 1.181 120 G CA 0.364 45.467 45.100 0.005 0.000 0.963 120 G HN 0.503 nan 8.290 nan 0.000 0.541 121 N N 0.590 119.299 118.700 0.015 0.000 2.234 121 N HA 0.308 5.047 4.740 -0.000 0.000 0.227 121 N C -0.026 175.473 175.510 -0.017 0.000 1.151 121 N CA 0.382 53.426 53.050 -0.009 0.000 0.865 121 N CB 1.410 39.880 38.487 -0.028 0.000 1.066 121 N HN 0.365 nan 8.380 nan 0.000 0.515 122 V N 3.971 123.899 119.914 0.024 0.000 2.406 122 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 122 V C -1.979 174.151 176.094 0.059 0.000 1.043 122 V CA -1.519 60.788 62.300 0.012 0.000 0.915 122 V CB 1.466 33.296 31.823 0.011 0.000 0.988 122 V HN 0.001 nan 8.190 nan 0.000 0.466 123 P HA 0.118 nan 4.420 nan 0.000 0.268 123 P C -0.656 176.715 177.300 0.119 0.000 1.205 123 P CA 0.078 63.164 63.100 -0.023 0.000 0.771 123 P CB 0.893 32.505 31.700 -0.146 0.000 0.858 124 V N 4.833 124.948 119.914 0.336 0.000 2.370 124 V HA 0.309 4.428 4.120 -0.000 0.000 0.283 124 V C 0.401 176.559 176.094 0.107 0.000 1.023 124 V CA -0.519 61.871 62.300 0.150 0.000 0.857 124 V CB 1.092 32.949 31.823 0.057 0.000 0.985 124 V HN 0.323 nan 8.190 nan 0.000 0.443 125 L N 4.030 125.261 121.223 0.013 0.000 2.322 125 L HA 0.572 4.912 4.340 -0.000 0.000 0.281 125 L C -0.161 176.698 176.870 -0.018 0.000 1.014 125 L CA -0.654 54.199 54.840 0.022 0.000 0.815 125 L CB 1.731 43.801 42.059 0.019 0.000 1.247 125 L HN 0.523 nan 8.230 nan 0.000 0.421 126 N N 1.923 120.653 118.700 0.050 0.000 2.422 126 N HA 0.334 5.074 4.740 -0.000 0.000 0.264 126 N C 0.208 175.785 175.510 0.111 0.000 1.063 126 N CA -0.125 52.947 53.050 0.036 0.000 0.959 126 N CB 1.921 40.443 38.487 0.058 0.000 1.087 126 N HN 0.743 nan 8.380 nan 0.000 0.483 127 A N 2.215 125.049 122.820 0.023 0.000 2.387 127 A HA 0.538 4.857 4.320 -0.000 0.000 0.234 127 A C 0.609 178.189 177.584 -0.006 0.000 1.253 127 A CA 0.341 52.490 52.037 0.187 0.000 0.894 127 A CB -0.592 18.430 19.000 0.036 0.000 0.963 127 A HN 0.874 nan 8.150 nan 0.000 0.508 128 G N 0.719 109.458 108.800 -0.100 0.000 2.326 128 G HA2 0.383 4.343 3.960 -0.000 0.000 0.299 128 G HA3 0.383 4.343 3.960 -0.000 0.000 0.299 128 G C -1.909 172.936 174.900 -0.091 0.000 1.643 128 G CA -0.254 44.709 45.100 -0.228 0.000 0.916 128 G HN 0.427 nan 8.290 nan 0.000 0.700 129 D N 1.527 121.898 120.400 -0.048 0.000 2.421 129 D HA 0.599 5.239 4.640 -0.000 0.000 0.254 129 D C 1.149 177.451 176.300 0.003 0.000 1.238 129 D CA 0.469 54.462 54.000 -0.012 0.000 0.919 129 D CB 0.798 41.583 40.800 -0.025 0.000 1.152 129 D HN 1.801 nan 8.370 nan 0.000 0.552 130 G N 2.961 111.772 108.800 0.019 0.000 2.602 130 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.306 130 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.306 130 G C 0.762 175.677 174.900 0.026 0.000 1.301 130 G CA 0.794 45.908 45.100 0.024 0.000 0.974 130 G HN 1.145 nan 8.290 nan 0.000 0.547 131 S N 0.778 116.503 115.700 0.040 0.000 2.743 131 S HA 0.206 4.676 4.470 -0.000 0.000 0.230 131 S C 1.132 175.787 174.600 0.091 0.000 0.950 131 S CA 0.968 59.212 58.200 0.072 0.000 0.976 131 S CB 0.247 63.504 63.200 0.094 0.000 0.779 131 S HN 0.819 nan 8.310 nan 0.000 0.487 132 N N 1.438 120.176 118.700 0.064 0.000 2.333 132 N HA 0.138 4.878 4.740 -0.000 0.000 0.234 132 N C 0.214 175.780 175.510 0.093 0.000 1.035 132 N CA 0.653 53.746 53.050 0.071 0.000 1.171 132 N CB 0.153 38.660 38.487 0.033 0.000 1.503 132 N HN 0.231 nan 8.380 nan 0.000 0.624 133 Q N -0.978 118.870 119.800 0.079 0.000 2.495 133 Q HA 0.262 4.601 4.340 -0.000 0.000 0.283 133 Q C -1.078 175.012 176.000 0.149 0.000 1.097 133 Q CA -0.438 55.435 55.803 0.117 0.000 0.836 133 Q CB 1.676 30.474 28.738 0.100 0.000 1.426 133 Q HN 0.574 nan 8.270 nan 0.000 0.459 134 H N 0.163 119.287 119.070 0.091 0.000 2.927 134 H HA 0.256 4.811 4.556 -0.000 0.000 0.213 134 H C -2.291 173.106 175.328 0.115 0.000 1.363 134 H CA -1.791 54.322 56.048 0.108 0.000 1.369 134 H CB 0.398 30.227 29.762 0.110 0.000 2.040 134 H HN 0.239 nan 8.280 nan 0.000 0.544 135 P HA -0.141 nan 4.420 nan 0.000 0.216 135 P C 1.585 178.948 177.300 0.106 0.000 1.150 135 P CA 1.572 64.765 63.100 0.154 0.000 0.843 135 P CB 0.385 32.176 31.700 0.151 0.000 0.787 136 T N -1.605 113.023 114.554 0.125 0.000 2.985 136 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 136 T C 1.825 176.457 174.700 -0.113 0.000 1.076 136 T CA 0.946 63.064 62.100 0.029 0.000 1.135 136 T CB -0.371 68.587 68.868 0.150 0.000 0.890 136 T HN 0.032 nan 8.240 nan 0.000 0.480 137 Q N 0.531 120.146 119.800 -0.308 0.000 2.172 137 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 137 Q C 2.078 178.038 176.000 -0.068 0.000 0.964 137 Q CA 1.598 57.220 55.803 -0.302 0.000 0.855 137 Q CB -0.430 27.951 28.738 -0.595 0.000 0.918 137 Q HN 0.384 nan 8.270 nan 0.000 0.444 138 T N 0.600 115.144 114.554 -0.017 0.000 2.951 138 T HA 0.016 4.365 4.350 -0.000 0.000 0.268 138 T C 1.570 176.313 174.700 0.072 0.000 1.073 138 T CA 0.846 62.973 62.100 0.045 0.000 1.134 138 T CB -0.048 68.857 68.868 0.062 0.000 0.884 138 T HN 0.209 nan 8.240 nan 0.000 0.479 139 L N 0.922 122.181 121.223 0.060 0.000 2.072 139 L HA 0.004 4.343 4.340 -0.000 0.000 0.205 139 L C 2.454 179.384 176.870 0.100 0.000 1.079 139 L CA 1.014 55.901 54.840 0.079 0.000 0.752 139 L CB -0.675 41.413 42.059 0.049 0.000 0.906 139 L HN 0.322 nan 8.230 nan 0.000 0.436 140 L N -2.787 118.477 121.223 0.068 0.000 2.141 140 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 140 L C 1.863 178.866 176.870 0.221 0.000 1.094 140 L CA 1.512 56.431 54.840 0.132 0.000 0.763 140 L CB -0.783 41.310 42.059 0.057 0.000 0.908 140 L HN 0.032 nan 8.230 nan 0.000 0.437 141 D N 0.946 121.457 120.400 0.185 0.000 2.078 141 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 141 D C 2.389 178.805 176.300 0.194 0.000 0.990 141 D CA 1.845 55.982 54.000 0.228 0.000 0.827 141 D CB -0.405 40.537 40.800 0.236 0.000 0.975 141 D HN 0.382 nan 8.370 nan 0.000 0.451 142 L N -0.012 121.302 121.223 0.151 0.000 2.043 142 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 142 L C 2.451 179.410 176.870 0.150 0.000 1.075 142 L CA 1.011 55.917 54.840 0.110 0.000 0.752 142 L CB -0.449 41.671 42.059 0.102 0.000 0.891 142 L HN -0.001 nan 8.230 nan 0.000 0.432 143 F N 0.689 120.673 119.950 0.058 0.000 2.171 143 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 143 F C 2.429 178.279 175.800 0.084 0.000 1.090 143 F CA 1.961 60.001 58.000 0.067 0.000 1.293 143 F CB -0.431 38.627 39.000 0.096 0.000 1.013 143 F HN -0.057 nan 8.300 nan 0.000 0.486 144 T N 1.137 115.791 114.554 0.168 0.000 2.951 144 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 144 T C 2.158 176.862 174.700 0.008 0.000 1.073 144 T CA 1.503 63.659 62.100 0.094 0.000 1.134 144 T CB -0.283 68.736 68.868 0.251 0.000 0.884 144 T HN 0.269 nan 8.240 nan 0.000 0.479 145 I N 0.919 121.498 120.570 0.015 0.000 2.233 145 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 145 I C 2.836 178.882 176.117 -0.117 0.000 1.093 145 I CA 1.244 62.520 61.300 -0.041 0.000 1.380 145 I CB -0.402 37.585 38.000 -0.022 0.000 1.067 145 I HN 0.263 nan 8.210 nan 0.000 0.413 146 Q N 1.249 120.967 119.800 -0.137 0.000 2.020 146 Q HA -0.291 4.049 4.340 -0.000 0.000 0.202 146 Q C 2.195 178.065 176.000 -0.216 0.000 0.982 146 Q CA 2.078 57.780 55.803 -0.168 0.000 0.838 146 Q CB -0.106 28.550 28.738 -0.137 0.000 0.899 146 Q HN 0.479 nan 8.270 nan 0.000 0.423 147 E N -0.584 119.411 120.200 -0.341 0.000 2.118 147 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 147 E C 1.693 178.162 176.600 -0.219 0.000 0.992 147 E CA 1.842 58.037 56.400 -0.342 0.000 0.804 147 E CB -0.012 29.340 29.700 -0.579 0.000 0.741 147 E HN 0.568 nan 8.360 nan 0.000 0.458 148 T N -2.338 112.087 114.554 -0.214 0.000 3.044 148 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 148 T C 1.626 176.193 174.700 -0.223 0.000 1.073 148 T CA 0.103 62.042 62.100 -0.267 0.000 1.125 148 T CB 0.309 68.926 68.868 -0.419 0.000 0.908 148 T HN -0.002 nan 8.240 nan 0.000 0.480 149 Q N 0.453 120.146 119.800 -0.178 0.000 2.319 149 Q HA 0.357 4.697 4.340 -0.000 0.000 0.209 149 Q C 1.938 177.861 176.000 -0.129 0.000 0.884 149 Q CA 0.733 56.448 55.803 -0.148 0.000 0.938 149 Q CB 0.305 28.964 28.738 -0.131 0.000 1.098 149 Q HN 0.720 nan 8.270 nan 0.000 0.517 150 G N 2.247 110.970 108.800 -0.129 0.000 2.284 150 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.261 150 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.261 150 G C 0.369 175.211 174.900 -0.096 0.000 0.997 150 G CA 0.857 45.894 45.100 -0.105 0.000 0.621 150 G HN 0.441 nan 8.290 nan 0.000 0.534 151 R N -2.074 118.358 120.500 -0.113 0.000 2.831 151 R HA 0.804 5.144 4.340 -0.000 0.000 0.266 151 R C -0.405 175.789 176.300 -0.176 0.000 1.051 151 R CA -1.064 54.965 56.100 -0.118 0.000 0.943 151 R CB 0.558 30.804 30.300 -0.090 0.000 1.228 151 R HN 0.295 nan 8.270 nan 0.000 0.467 152 L N 0.620 121.694 121.223 -0.249 0.000 3.184 152 L HA 0.326 4.666 4.340 -0.000 0.000 0.283 152 L C -1.384 175.305 176.870 -0.302 0.000 1.218 152 L CA 0.250 54.829 54.840 -0.434 0.000 1.028 152 L CB 0.016 41.530 42.059 -0.909 0.000 1.400 152 L HN 0.841 nan 8.230 nan 0.000 0.591 153 D N -3.607 116.730 120.400 -0.106 0.000 2.552 153 D HA 0.397 5.037 4.640 -0.000 0.000 0.239 153 D C -0.125 176.152 176.300 -0.038 0.000 1.139 153 D CA -0.767 53.241 54.000 0.013 0.000 0.914 153 D CB 0.375 41.248 40.800 0.122 0.000 1.461 153 D HN -0.061 nan 8.370 nan 0.000 0.462 154 N N -1.404 117.278 118.700 -0.031 0.000 2.747 154 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 154 N C -0.999 174.424 175.510 -0.144 0.000 1.107 154 N CA 0.349 53.353 53.050 -0.076 0.000 0.707 154 N CB -1.224 37.217 38.487 -0.076 0.000 1.054 154 N HN 0.395 nan 8.380 nan 0.000 0.555 155 L N 0.042 121.185 121.223 -0.134 0.000 2.360 155 L HA 0.388 4.727 4.340 -0.000 0.000 0.271 155 L C 0.544 177.353 176.870 -0.102 0.000 1.057 155 L CA -0.616 54.133 54.840 -0.152 0.000 0.803 155 L CB 0.952 42.930 42.059 -0.136 0.000 1.207 155 L HN 0.240 nan 8.230 nan 0.000 0.445 156 H N 1.341 120.334 119.070 -0.128 0.000 2.673 156 H HA 0.395 4.950 4.556 -0.000 0.000 0.293 156 H C -1.067 174.239 175.328 -0.036 0.000 1.065 156 H CA -0.714 55.288 56.048 -0.077 0.000 1.236 156 H CB 1.479 31.287 29.762 0.076 0.000 1.389 156 H HN 0.176 nan 8.280 nan 0.000 0.481 157 V N 3.088 122.975 119.914 -0.044 0.000 2.378 157 V HA 0.432 4.552 4.120 -0.000 0.000 0.288 157 V C 0.061 176.256 176.094 0.168 0.000 1.016 157 V CA -0.702 61.610 62.300 0.021 0.000 0.840 157 V CB 1.281 33.050 31.823 -0.090 0.000 0.994 157 V HN 0.815 nan 8.190 nan 0.000 0.431 158 A N 7.365 130.328 122.820 0.239 0.000 2.301 158 A HA 0.881 5.201 4.320 -0.000 0.000 0.312 158 A C -0.268 177.505 177.584 0.314 0.000 1.182 158 A CA -0.511 51.697 52.037 0.285 0.000 0.826 158 A CB 0.675 19.776 19.000 0.169 0.000 1.134 158 A HN 0.758 nan 8.150 nan 0.000 0.501 159 M N 3.080 122.917 119.600 0.394 0.000 2.243 159 M HA 0.442 4.922 4.480 -0.000 0.000 0.324 159 M C -1.248 175.264 176.300 0.355 0.000 1.031 159 M CA -0.536 55.004 55.300 0.400 0.000 0.949 159 M CB 1.539 34.409 32.600 0.450 0.000 1.615 159 M HN 0.306 nan 8.290 nan 0.000 0.430 160 V N 2.173 122.255 119.914 0.280 0.000 2.540 160 V HA 0.949 5.069 4.120 -0.000 0.000 0.302 160 V C 0.449 176.664 176.094 0.201 0.000 1.035 160 V CA 0.160 62.616 62.300 0.261 0.000 0.873 160 V CB 1.532 33.487 31.823 0.220 0.000 0.992 160 V HN 1.171 nan 8.190 nan 0.000 0.428 161 G N 4.471 113.375 108.800 0.173 0.000 2.253 161 G HA2 -0.046 3.913 3.960 -0.000 0.000 0.190 161 G HA3 -0.046 3.913 3.960 -0.000 0.000 0.190 161 G C -1.065 173.809 174.900 -0.044 0.000 1.274 161 G CA -0.027 45.109 45.100 0.061 0.000 1.275 161 G HN 0.769 nan 8.290 nan 0.000 0.518 162 D N 1.401 121.790 120.400 -0.018 0.000 2.396 162 D HA 0.557 5.197 4.640 -0.000 0.000 0.225 162 D C 1.442 177.720 176.300 -0.036 0.000 1.121 162 D CA -0.459 53.520 54.000 -0.035 0.000 0.853 162 D CB 0.641 41.465 40.800 0.040 0.000 1.043 162 D HN 0.355 nan 8.370 nan 0.000 0.500 163 L N 3.288 124.465 121.223 -0.078 0.000 2.554 163 L HA 0.149 4.489 4.340 -0.000 0.000 0.225 163 L C 2.210 179.042 176.870 -0.064 0.000 1.104 163 L CA 0.011 54.801 54.840 -0.083 0.000 0.866 163 L CB 0.091 42.071 42.059 -0.132 0.000 1.047 163 L HN 0.373 nan 8.230 nan 0.000 0.468 164 K N 0.164 120.471 120.400 -0.154 0.000 2.076 164 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 164 K C 1.415 177.916 176.600 -0.166 0.000 1.051 164 K CA 1.328 57.458 56.287 -0.260 0.000 0.949 164 K CB 0.179 32.321 32.500 -0.597 0.000 0.726 164 K HN 0.156 nan 8.250 nan 0.000 0.443 165 Y N -0.435 119.898 120.300 0.056 0.000 2.467 165 Y HA 0.286 4.836 4.550 -0.000 0.000 0.250 165 Y C 0.864 176.714 175.900 -0.083 0.000 1.155 165 Y CA -0.341 57.784 58.100 0.042 0.000 1.249 165 Y CB 0.586 39.065 38.460 0.032 0.000 1.146 165 Y HN -0.032 nan 8.280 nan 0.000 0.524 166 G N 1.465 110.208 108.800 -0.096 0.000 2.508 166 G HA2 0.054 4.013 3.960 -0.000 0.000 0.301 166 G HA3 0.054 4.013 3.960 -0.000 0.000 0.301 166 G C 1.211 175.853 174.900 -0.430 0.000 0.965 166 G CA -0.389 44.610 45.100 -0.167 0.000 1.339 166 G HN 0.259 nan 8.290 nan 0.000 0.455 167 R N 1.755 122.130 120.500 -0.208 0.000 2.119 167 R HA -0.204 4.136 4.340 -0.000 0.000 0.246 167 R C 2.470 178.737 176.300 -0.055 0.000 1.146 167 R CA 2.388 58.424 56.100 -0.106 0.000 0.962 167 R CB -0.493 29.834 30.300 0.045 0.000 0.863 167 R HN 0.594 nan 8.270 nan 0.000 0.442 168 T N -1.645 112.914 114.554 0.008 0.000 2.942 168 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 168 T C 2.039 176.717 174.700 -0.037 0.000 1.062 168 T CA 1.105 63.238 62.100 0.055 0.000 1.139 168 T CB -0.578 68.385 68.868 0.159 0.000 0.883 168 T HN 0.218 nan 8.240 nan 0.000 0.468 169 V N -0.017 119.848 119.914 -0.082 0.000 2.515 169 V HA -0.146 3.973 4.120 -0.000 0.000 0.250 169 V C 2.323 178.378 176.094 -0.066 0.000 1.058 169 V CA 1.636 63.870 62.300 -0.110 0.000 1.064 169 V CB -1.510 30.285 31.823 -0.047 0.000 0.675 169 V HN 0.622 nan 8.190 nan 0.000 0.461 170 H N 1.250 120.265 119.070 -0.092 0.000 2.357 170 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 170 H C 2.610 177.888 175.328 -0.083 0.000 1.082 170 H CA 1.364 57.331 56.048 -0.135 0.000 1.342 170 H CB -0.025 29.689 29.762 -0.079 0.000 1.389 170 H HN 0.516 nan 8.280 nan 0.000 0.511 171 S N 0.934 116.689 115.700 0.093 0.000 2.387 171 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 171 S C 2.069 176.685 174.600 0.027 0.000 1.026 171 S CA 0.710 58.952 58.200 0.070 0.000 0.972 171 S CB -0.175 63.080 63.200 0.090 0.000 0.814 171 S HN 0.175 nan 8.310 nan 0.000 0.477 172 L N 2.042 123.247 121.223 -0.030 0.000 2.156 172 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 172 L C 2.124 178.998 176.870 0.006 0.000 1.095 172 L CA 1.552 56.364 54.840 -0.045 0.000 0.770 172 L CB -1.096 40.825 42.059 -0.229 0.000 0.914 172 L HN 0.182 nan 8.230 nan 0.000 0.439 173 T N -0.886 113.641 114.554 -0.046 0.000 2.821 173 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 173 T C 1.794 176.445 174.700 -0.082 0.000 1.046 173 T CA 1.584 63.606 62.100 -0.131 0.000 1.139 173 T CB -0.141 68.558 68.868 -0.281 0.000 0.871 173 T HN 0.479 nan 8.240 nan 0.000 0.454 174 Q N 0.485 120.264 119.800 -0.035 0.000 2.119 174 Q HA 0.051 4.390 4.340 -0.000 0.000 0.201 174 Q C 2.735 178.779 176.000 0.074 0.000 0.972 174 Q CA 1.221 57.029 55.803 0.008 0.000 0.847 174 Q CB -0.264 28.486 28.738 0.021 0.000 0.903 174 Q HN 0.554 nan 8.270 nan 0.000 0.433 175 A N 1.106 123.991 122.820 0.108 0.000 1.855 175 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 175 A C 2.043 179.800 177.584 0.289 0.000 1.191 175 A CA 1.016 53.163 52.037 0.182 0.000 0.613 175 A CB -0.742 18.359 19.000 0.168 0.000 0.829 175 A HN 0.283 nan 8.150 nan 0.000 0.442 176 L N -0.656 120.733 121.223 0.277 0.000 2.265 176 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 176 L C 2.783 179.893 176.870 0.400 0.000 1.117 176 L CA 0.811 55.876 54.840 0.374 0.000 0.782 176 L CB -0.427 41.881 42.059 0.415 0.000 0.914 176 L HN 0.464 nan 8.230 nan 0.000 0.441 177 A N -0.494 122.490 122.820 0.275 0.000 2.206 177 A HA -0.111 4.208 4.320 -0.000 0.000 0.211 177 A C 2.178 179.843 177.584 0.135 0.000 1.158 177 A CA 0.777 52.935 52.037 0.203 0.000 0.761 177 A CB -0.215 18.839 19.000 0.091 0.000 0.801 177 A HN 0.276 nan 8.150 nan 0.000 0.473 178 K N -1.436 119.039 120.400 0.124 0.000 2.288 178 K HA 0.099 4.419 4.320 -0.000 0.000 0.201 178 K C -0.355 176.096 176.600 -0.247 0.000 1.048 178 K CA 0.414 56.653 56.287 -0.080 0.000 0.956 178 K CB -0.026 32.374 32.500 -0.167 0.000 0.746 178 K HN 0.489 nan 8.250 nan 0.000 0.461 179 F N 0.499 120.492 119.950 0.072 0.000 2.452 179 F HA 0.208 4.735 4.527 -0.000 0.000 0.353 179 F C 0.673 176.507 175.800 0.057 0.000 1.089 179 F CA -0.823 57.212 58.000 0.058 0.000 1.080 179 F CB 0.693 39.727 39.000 0.056 0.000 1.399 179 F HN -0.207 nan 8.300 nan 0.000 0.492 180 D N -0.450 120.095 120.400 0.242 0.000 2.163 180 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 180 D C 0.519 176.877 176.300 0.097 0.000 1.035 180 D CA 0.511 54.591 54.000 0.132 0.000 0.872 180 D CB 1.664 42.521 40.800 0.094 0.000 1.183 180 D HN 0.774 nan 8.370 nan 0.000 0.445 181 G N 2.428 111.272 108.800 0.073 0.000 2.203 181 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.263 181 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.263 181 G C 0.348 175.253 174.900 0.008 0.000 1.012 181 G CA -0.081 45.043 45.100 0.040 0.000 0.749 181 G HN 0.484 nan 8.290 nan 0.000 0.512 182 N N 0.072 118.775 118.700 0.006 0.000 2.503 182 N HA 0.471 5.211 4.740 -0.000 0.000 0.267 182 N C 0.448 175.821 175.510 -0.227 0.000 1.214 182 N CA 0.076 53.040 53.050 -0.143 0.000 0.959 182 N CB 0.634 39.000 38.487 -0.202 0.000 1.142 182 N HN 0.342 nan 8.380 nan 0.000 0.455 183 R N 1.225 121.464 120.500 -0.435 0.000 2.513 183 R HA 0.410 4.750 4.340 -0.000 0.000 0.301 183 R C -1.006 174.760 176.300 -0.889 0.000 0.968 183 R CA -0.562 55.247 56.100 -0.484 0.000 0.872 183 R CB 1.017 31.110 30.300 -0.346 0.000 1.177 183 R HN 0.402 nan 8.270 nan 0.000 0.444 184 F N 2.413 122.088 119.950 -0.457 0.000 2.480 184 F HA 0.430 4.956 4.527 -0.000 0.000 0.329 184 F C -0.444 174.854 175.800 -0.837 0.000 1.091 184 F CA -0.709 56.946 58.000 -0.576 0.000 0.972 184 F CB 1.242 39.899 39.000 -0.571 0.000 1.150 184 F HN 0.333 nan 8.300 nan 0.000 0.467 185 Y N 2.555 122.719 120.300 -0.227 0.000 2.326 185 Y HA 0.512 5.062 4.550 -0.000 0.000 0.331 185 Y C -1.011 174.849 175.900 -0.067 0.000 0.962 185 Y CA -1.228 56.805 58.100 -0.112 0.000 1.167 185 Y CB 0.945 39.378 38.460 -0.045 0.000 1.148 185 Y HN 0.303 nan 8.280 nan 0.000 0.463 186 F N 4.127 124.340 119.950 0.438 0.000 2.420 186 F HA 0.629 5.156 4.527 -0.000 0.000 0.342 186 F C -0.238 175.739 175.800 0.294 0.000 1.113 186 F CA -1.643 56.534 58.000 0.296 0.000 1.059 186 F CB 1.017 40.136 39.000 0.198 0.000 1.128 186 F HN 0.237 nan 8.300 nan 0.000 0.475 187 I N 3.081 123.917 120.570 0.444 0.000 2.476 187 I HA 0.651 4.821 4.170 -0.000 0.000 0.281 187 I C -0.698 175.683 176.117 0.441 0.000 1.040 187 I CA -0.263 61.292 61.300 0.425 0.000 1.094 187 I CB 1.303 39.514 38.000 0.351 0.000 1.219 187 I HN 0.707 nan 8.210 nan 0.000 0.450 188 A N 7.591 130.588 122.820 0.296 0.000 2.520 188 A HA 0.898 5.218 4.320 -0.000 0.000 0.298 188 A C -2.882 174.506 177.584 -0.327 0.000 1.051 188 A CA -1.436 50.537 52.037 -0.105 0.000 0.690 188 A CB 1.625 20.586 19.000 -0.066 0.000 1.281 188 A HN 0.337 nan 8.150 nan 0.000 0.402 189 P HA 0.064 nan 4.420 nan 0.000 0.268 189 P C -0.125 177.060 177.300 -0.192 0.000 1.208 189 P CA 0.104 62.943 63.100 -0.435 0.000 0.777 189 P CB 0.693 32.087 31.700 -0.510 0.000 0.875 190 D N 2.191 122.539 120.400 -0.088 0.000 2.133 190 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 190 D C 1.766 178.026 176.300 -0.067 0.000 1.001 190 D CA 2.124 56.096 54.000 -0.047 0.000 0.844 190 D CB -0.446 40.347 40.800 -0.012 0.000 0.944 190 D HN 0.494 nan 8.370 nan 0.000 0.447 191 A N 0.194 122.972 122.820 -0.069 0.000 2.168 191 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 191 A C 1.967 179.488 177.584 -0.105 0.000 1.152 191 A CA 0.485 52.486 52.037 -0.059 0.000 0.716 191 A CB -0.212 18.777 19.000 -0.018 0.000 0.794 191 A HN 0.203 nan 8.150 nan 0.000 0.465 192 L N -0.399 120.736 121.223 -0.146 0.000 3.066 192 L HA 0.326 4.666 4.340 -0.000 0.000 0.265 192 L C 0.946 177.698 176.870 -0.198 0.000 1.232 192 L CA -0.477 54.252 54.840 -0.186 0.000 1.031 192 L CB 0.023 41.985 42.059 -0.162 0.000 1.379 192 L HN 0.319 nan 8.230 nan 0.000 0.563 193 A N 0.773 123.486 122.820 -0.178 0.000 2.547 193 A HA 0.095 4.415 4.320 -0.000 0.000 0.233 193 A C 0.199 177.639 177.584 -0.240 0.000 1.067 193 A CA -0.088 51.846 52.037 -0.172 0.000 0.763 193 A CB 0.088 19.004 19.000 -0.140 0.000 1.007 193 A HN 0.325 nan 8.150 nan 0.000 0.506 194 M N 4.148 123.562 119.600 -0.309 0.000 2.217 194 M HA 0.296 4.776 4.480 -0.000 0.000 0.352 194 M C -1.985 174.039 176.300 -0.461 0.000 1.376 194 M CA -1.647 53.374 55.300 -0.464 0.000 1.107 194 M CB 0.380 32.478 32.600 -0.838 0.000 1.723 194 M HN 0.462 nan 8.290 nan 0.000 0.461 195 P HA -0.020 nan 4.420 nan 0.000 0.268 195 P C -0.374 176.647 177.300 -0.466 0.000 1.205 195 P CA 0.067 62.911 63.100 -0.426 0.000 0.771 195 P CB 0.694 32.141 31.700 -0.423 0.000 0.858 196 Q N 3.070 122.712 119.800 -0.262 0.000 2.197 196 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 196 Q C 1.962 177.855 176.000 -0.179 0.000 0.993 196 Q CA 2.274 57.962 55.803 -0.192 0.000 0.883 196 Q CB -1.201 27.493 28.738 -0.073 0.000 0.916 196 Q HN 0.686 nan 8.270 nan 0.000 0.418 197 Y N -2.403 117.774 120.300 -0.206 0.000 2.421 197 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 197 Y C 1.602 177.375 175.900 -0.212 0.000 1.136 197 Y CA 0.516 58.509 58.100 -0.178 0.000 1.255 197 Y CB -0.289 38.075 38.460 -0.161 0.000 0.991 197 Y HN 0.050 nan 8.280 nan 0.000 0.552 198 I N 0.807 120.953 120.570 -0.706 0.000 2.277 198 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 198 I C 2.407 178.229 176.117 -0.492 0.000 1.094 198 I CA 1.001 61.918 61.300 -0.639 0.000 1.393 198 I CB -0.933 36.578 38.000 -0.815 0.000 1.078 198 I HN 0.376 nan 8.210 nan 0.000 0.417 199 L N 0.239 121.128 121.223 -0.556 0.000 2.046 199 L HA -0.239 4.100 4.340 -0.000 0.000 0.208 199 L C 2.207 178.954 176.870 -0.205 0.000 1.077 199 L CA 1.386 55.881 54.840 -0.575 0.000 0.747 199 L CB -0.786 40.880 42.059 -0.655 0.000 0.896 199 L HN 0.218 nan 8.230 nan 0.000 0.432 200 D N -0.219 120.109 120.400 -0.120 0.000 2.097 200 D HA -0.220 4.419 4.640 -0.000 0.000 0.195 200 D C 2.168 178.467 176.300 -0.002 0.000 0.989 200 D CA 1.094 55.087 54.000 -0.010 0.000 0.827 200 D CB -0.171 40.626 40.800 -0.005 0.000 0.966 200 D HN 0.153 nan 8.370 nan 0.000 0.456 201 M N 0.462 120.035 119.600 -0.045 0.000 2.108 201 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 201 M C 2.034 178.327 176.300 -0.013 0.000 1.066 201 M CA 1.201 56.484 55.300 -0.029 0.000 1.107 201 M CB -0.480 32.086 32.600 -0.056 0.000 1.356 201 M HN 0.035 nan 8.290 nan 0.000 0.406 202 L N -0.150 121.043 121.223 -0.049 0.000 2.046 202 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 202 L C 2.132 179.111 176.870 0.181 0.000 1.077 202 L CA 1.381 56.243 54.840 0.038 0.000 0.747 202 L CB -0.991 41.035 42.059 -0.057 0.000 0.896 202 L HN 0.252 nan 8.230 nan 0.000 0.432 203 D N -0.067 120.474 120.400 0.234 0.000 2.097 203 D HA -0.233 4.407 4.640 -0.000 0.000 0.195 203 D C 2.029 178.407 176.300 0.130 0.000 0.989 203 D CA 1.132 55.275 54.000 0.239 0.000 0.827 203 D CB -0.119 40.819 40.800 0.229 0.000 0.966 203 D HN 0.298 nan 8.370 nan 0.000 0.456 204 E N 0.161 120.417 120.200 0.093 0.000 2.267 204 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 204 E C 1.194 177.829 176.600 0.058 0.000 0.998 204 E CA 0.822 57.259 56.400 0.061 0.000 0.830 204 E CB 0.136 29.862 29.700 0.044 0.000 0.751 204 E HN -0.035 nan 8.360 nan 0.000 0.491 205 K N -1.109 119.334 120.400 0.070 0.000 2.372 205 K HA 0.108 4.428 4.320 -0.000 0.000 0.200 205 K C 0.508 177.153 176.600 0.076 0.000 1.022 205 K CA 0.651 56.976 56.287 0.064 0.000 1.125 205 K CB 0.585 33.124 32.500 0.065 0.000 0.855 205 K HN 0.205 nan 8.250 nan 0.000 0.524 206 G N 1.098 109.948 108.800 0.084 0.000 2.168 206 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 206 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 206 G C -0.055 174.906 174.900 0.102 0.000 0.997 206 G CA 0.258 45.403 45.100 0.076 0.000 0.708 206 G HN 0.172 nan 8.290 nan 0.000 0.520 207 I N 0.997 121.662 120.570 0.159 0.000 2.474 207 I HA 0.599 4.769 4.170 -0.000 0.000 0.287 207 I C 1.005 177.269 176.117 0.246 0.000 1.048 207 I CA -1.021 60.407 61.300 0.212 0.000 1.383 207 I CB 0.779 38.956 38.000 0.295 0.000 1.412 207 I HN 0.353 nan 8.210 nan 0.000 0.531 208 A N 8.235 131.150 122.820 0.157 0.000 2.366 208 A HA 0.637 4.957 4.320 -0.000 0.000 0.272 208 A C -0.545 177.115 177.584 0.127 0.000 1.135 208 A CA -0.425 51.637 52.037 0.041 0.000 0.804 208 A CB 0.413 19.371 19.000 -0.070 0.000 1.064 208 A HN 0.790 nan 8.150 nan 0.000 0.499 209 W N 0.922 122.198 121.300 -0.039 0.000 3.118 209 W HA 0.716 5.376 4.660 -0.000 0.000 0.328 209 W C -0.827 175.626 176.519 -0.110 0.000 1.239 209 W CA -0.451 56.813 57.345 -0.135 0.000 1.176 209 W CB 0.854 30.294 29.460 -0.033 0.000 1.433 209 W HN 1.127 nan 8.180 nan 0.000 0.562 210 S N 0.929 116.647 115.700 0.030 0.000 2.570 210 S HA 0.719 5.189 4.470 -0.000 0.000 0.270 210 S C -1.832 172.930 174.600 0.269 0.000 1.149 210 S CA -0.872 57.352 58.200 0.040 0.000 0.837 210 S CB 2.136 65.345 63.200 0.015 0.000 1.124 210 S HN 0.342 nan 8.310 nan 0.000 0.465 211 L N 2.613 123.940 121.223 0.174 0.000 2.309 211 L HA 0.627 4.967 4.340 -0.000 0.000 0.282 211 L C 0.117 176.929 176.870 -0.096 0.000 1.036 211 L CA 0.046 55.021 54.840 0.226 0.000 0.806 211 L CB 0.773 42.979 42.059 0.246 0.000 1.220 211 L HN 0.816 nan 8.230 nan 0.000 0.429 212 H N 0.375 119.566 119.070 0.201 0.000 2.894 212 H HA 0.363 4.919 4.556 -0.000 0.000 0.368 212 H C -0.023 175.387 175.328 0.137 0.000 1.181 212 H CA -0.233 55.889 56.048 0.124 0.000 1.146 212 H CB 2.188 31.988 29.762 0.064 0.000 1.839 212 H HN 0.562 nan 8.280 nan 0.000 0.557 213 S N -0.222 115.588 115.700 0.183 0.000 2.523 213 S HA 0.140 4.610 4.470 -0.000 0.000 0.217 213 S C 0.591 175.205 174.600 0.023 0.000 0.996 213 S CA -0.277 58.015 58.200 0.153 0.000 0.921 213 S CB 0.576 63.843 63.200 0.112 0.000 0.829 213 S HN 0.346 nan 8.310 nan 0.000 0.495 214 S N -0.094 115.615 115.700 0.015 0.000 2.540 214 S HA 0.585 5.054 4.470 -0.000 0.000 0.275 214 S C 0.568 175.124 174.600 -0.073 0.000 1.123 214 S CA -0.834 57.312 58.200 -0.090 0.000 0.907 214 S CB 0.878 64.034 63.200 -0.074 0.000 1.081 214 S HN 0.280 nan 8.310 nan 0.000 0.476 215 I N 2.833 123.333 120.570 -0.118 0.000 2.394 215 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 215 I C 2.441 178.474 176.117 -0.140 0.000 1.136 215 I CA 1.062 62.294 61.300 -0.114 0.000 1.425 215 I CB -0.174 37.770 38.000 -0.094 0.000 1.079 215 I HN 0.772 nan 8.210 nan 0.000 0.425 216 E N 1.515 121.644 120.200 -0.119 0.000 2.204 216 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 216 E C 1.901 178.423 176.600 -0.130 0.000 0.990 216 E CA 1.067 57.399 56.400 -0.113 0.000 0.821 216 E CB 0.079 29.725 29.700 -0.090 0.000 0.750 216 E HN 0.520 nan 8.360 nan 0.000 0.477 217 E N -0.558 119.563 120.200 -0.132 0.000 2.204 217 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 217 E C 1.543 177.964 176.600 -0.299 0.000 0.989 217 E CA 0.779 57.092 56.400 -0.144 0.000 0.824 217 E CB 0.499 30.176 29.700 -0.037 0.000 0.756 217 E HN 0.116 nan 8.360 nan 0.000 0.477 218 V N -0.046 119.631 119.914 -0.396 0.000 3.451 218 V HA -0.015 4.104 4.120 -0.000 0.000 0.288 218 V C 1.327 177.170 176.094 -0.418 0.000 1.502 218 V CA 0.096 62.044 62.300 -0.586 0.000 1.026 218 V CB 0.468 31.703 31.823 -0.979 0.000 0.840 218 V HN 0.168 nan 8.190 nan 0.000 0.437 219 M N 1.888 121.327 119.600 -0.268 0.000 2.113 219 M HA -0.226 4.254 4.480 -0.000 0.000 0.255 219 M C 2.110 178.312 176.300 -0.162 0.000 1.073 219 M CA 2.826 58.014 55.300 -0.188 0.000 1.091 219 M CB -1.005 31.509 32.600 -0.142 0.000 1.309 219 M HN 0.361 nan 8.290 nan 0.000 0.407 220 A N -0.730 122.002 122.820 -0.148 0.000 1.997 220 A HA -0.199 4.120 4.320 -0.000 0.000 0.221 220 A C 1.963 179.503 177.584 -0.073 0.000 1.172 220 A CA 2.122 54.098 52.037 -0.102 0.000 0.645 220 A CB -0.790 18.153 19.000 -0.094 0.000 0.813 220 A HN 0.701 nan 8.150 nan 0.000 0.454 221 E N -0.945 119.190 120.200 -0.109 0.000 2.472 221 E HA 0.165 4.515 4.350 -0.000 0.000 0.196 221 E C -0.169 176.501 176.600 0.117 0.000 1.033 221 E CA -0.065 56.336 56.400 0.000 0.000 0.886 221 E CB 0.221 29.851 29.700 -0.116 0.000 0.944 221 E HN 0.307 nan 8.360 nan 0.000 0.492 222 V N 2.306 122.213 119.914 -0.012 0.000 2.546 222 V HA 0.017 4.137 4.120 -0.000 0.000 0.284 222 V C 0.652 176.762 176.094 0.028 0.000 1.050 222 V CA 0.115 62.431 62.300 0.026 0.000 0.981 222 V CB 1.558 33.326 31.823 -0.092 0.000 0.990 222 V HN 0.011 nan 8.190 nan 0.000 0.474 223 D N 3.509 123.942 120.400 0.054 0.000 2.490 223 D HA 0.226 4.866 4.640 -0.000 0.000 0.244 223 D C 0.087 176.389 176.300 0.004 0.000 0.979 223 D CA 0.747 54.748 54.000 0.002 0.000 0.924 223 D CB 0.666 41.450 40.800 -0.025 0.000 1.075 223 D HN 0.225 nan 8.370 nan 0.000 0.488 224 I N 1.804 122.398 120.570 0.041 0.000 2.466 224 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 224 I C -0.867 175.319 176.117 0.115 0.000 1.026 224 I CA -0.878 60.466 61.300 0.073 0.000 1.078 224 I CB 2.320 40.373 38.000 0.089 0.000 1.249 224 I HN -0.129 nan 8.210 nan 0.000 0.429 225 L N 8.616 129.911 121.223 0.120 0.000 2.301 225 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 225 L C -1.526 175.454 176.870 0.183 0.000 1.022 225 L CA -0.351 54.572 54.840 0.137 0.000 0.854 225 L CB 0.848 42.949 42.059 0.070 0.000 1.226 225 L HN 0.404 nan 8.230 nan 0.000 0.429 226 Y N 5.951 126.315 120.300 0.106 0.000 2.404 226 Y HA 0.545 5.095 4.550 -0.000 0.000 0.344 226 Y C -0.252 175.681 175.900 0.056 0.000 0.970 226 Y CA -0.556 57.597 58.100 0.088 0.000 1.180 226 Y CB 0.799 39.322 38.460 0.106 0.000 1.138 226 Y HN 0.522 nan 8.280 nan 0.000 0.510 227 M N 5.097 124.624 119.600 -0.122 0.000 2.233 227 M HA 0.305 4.785 4.480 -0.000 0.000 0.355 227 M C -0.227 175.855 176.300 -0.362 0.000 1.191 227 M CA -0.041 55.198 55.300 -0.102 0.000 1.101 227 M CB 1.389 33.991 32.600 0.004 0.000 1.592 227 M HN 0.562 nan 8.290 nan 0.000 0.461 228 T N 2.132 116.586 114.554 -0.168 0.000 2.932 228 T HA 0.573 4.922 4.350 -0.000 0.000 0.289 228 T C -0.244 174.442 174.700 -0.024 0.000 1.039 228 T CA -0.887 61.085 62.100 -0.214 0.000 1.024 228 T CB 1.822 70.675 68.868 -0.025 0.000 1.090 228 T HN 0.686 nan 8.240 nan 0.000 0.496 229 R N 0.454 120.994 120.500 0.067 0.000 2.357 229 R HA 0.634 4.974 4.340 -0.000 0.000 0.296 229 R C -0.952 175.433 176.300 0.141 0.000 1.052 229 R CA -0.632 55.583 56.100 0.192 0.000 0.988 229 R CB 0.263 30.708 30.300 0.240 0.000 1.025 229 R HN 0.273 nan 8.270 nan 0.000 0.469 230 V N 3.754 123.765 119.914 0.162 0.000 2.498 230 V HA 0.117 4.237 4.120 -0.000 0.000 0.279 230 V C -0.213 176.042 176.094 0.269 0.000 1.048 230 V CA -0.646 61.758 62.300 0.174 0.000 0.967 230 V CB 1.211 33.091 31.823 0.095 0.000 0.988 230 V HN 0.766 nan 8.190 nan 0.000 0.473 231 Q N 3.454 123.379 119.800 0.208 0.000 2.296 231 Q HA 0.264 4.604 4.340 -0.000 0.000 0.257 231 Q C 0.996 177.102 176.000 0.176 0.000 0.942 231 Q CA -0.494 55.400 55.803 0.152 0.000 0.939 231 Q CB 0.617 29.400 28.738 0.074 0.000 1.198 231 Q HN 0.767 nan 8.270 nan 0.000 0.429 232 K N 1.810 122.216 120.400 0.011 0.000 2.442 232 K HA -0.240 4.079 4.320 -0.000 0.000 0.199 232 K C 0.830 177.408 176.600 -0.036 0.000 1.044 232 K CA 1.835 58.013 56.287 -0.182 0.000 0.941 232 K CB 0.101 32.129 32.500 -0.786 0.000 0.759 232 K HN 0.732 nan 8.250 nan 0.000 0.472 233 E N 0.276 120.464 120.200 -0.019 0.000 2.481 233 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 233 E C 1.215 177.822 176.600 0.013 0.000 1.047 233 E CA -0.129 56.263 56.400 -0.013 0.000 0.867 233 E CB 0.147 29.829 29.700 -0.030 0.000 0.858 233 E HN 0.145 nan 8.360 nan 0.000 0.513 234 R N 0.524 121.056 120.500 0.055 0.000 2.299 234 R HA 0.310 4.650 4.340 -0.000 0.000 0.197 234 R C 0.661 177.032 176.300 0.117 0.000 0.971 234 R CA 0.314 56.458 56.100 0.073 0.000 1.030 234 R CB -0.062 30.317 30.300 0.132 0.000 0.932 234 R HN 0.264 nan 8.270 nan 0.000 0.477 235 L N -0.164 121.133 121.223 0.124 0.000 2.194 235 L HA 0.334 4.674 4.340 -0.000 0.000 0.248 235 L C -0.077 176.852 176.870 0.097 0.000 1.071 235 L CA -1.154 53.762 54.840 0.125 0.000 0.901 235 L CB 1.654 43.822 42.059 0.180 0.000 1.497 235 L HN 0.007 nan 8.230 nan 0.000 0.442 236 D N -0.984 119.471 120.400 0.092 0.000 2.326 236 D HA 0.268 4.908 4.640 -0.000 0.000 0.251 236 D C -2.346 174.004 176.300 0.082 0.000 1.023 236 D CA -1.601 52.437 54.000 0.064 0.000 0.966 236 D CB 2.279 43.108 40.800 0.049 0.000 1.156 236 D HN 0.098 nan 8.370 nan 0.000 0.494 237 P HA -0.197 nan 4.420 nan 0.000 0.219 237 P C 1.320 178.676 177.300 0.093 0.000 1.161 237 P CA 1.951 65.076 63.100 0.041 0.000 0.909 237 P CB 0.046 31.753 31.700 0.012 0.000 0.793 238 S N -1.331 114.414 115.700 0.075 0.000 2.481 238 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 238 S C 1.813 176.470 174.600 0.094 0.000 0.996 238 S CA 0.695 58.941 58.200 0.078 0.000 0.942 238 S CB -0.511 62.721 63.200 0.053 0.000 0.768 238 S HN 0.320 nan 8.310 nan 0.000 0.520 239 E N 0.173 120.439 120.200 0.110 0.000 2.060 239 E HA -0.064 4.285 4.350 -0.000 0.000 0.189 239 E C 1.705 178.377 176.600 0.120 0.000 0.974 239 E CA 0.372 56.831 56.400 0.099 0.000 0.808 239 E CB -0.138 29.615 29.700 0.089 0.000 0.768 239 E HN 0.571 nan 8.360 nan 0.000 0.453 240 Y N 0.964 121.285 120.300 0.035 0.000 2.081 240 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 240 Y C 2.058 177.991 175.900 0.055 0.000 1.163 240 Y CA 2.174 60.299 58.100 0.041 0.000 1.135 240 Y CB -0.283 38.199 38.460 0.037 0.000 0.970 240 Y HN 0.090 nan 8.280 nan 0.000 0.498 241 A N -0.032 122.948 122.820 0.267 0.000 2.014 241 A HA -0.077 4.242 4.320 -0.000 0.000 0.218 241 A C 1.340 178.983 177.584 0.098 0.000 1.163 241 A CA 0.511 52.654 52.037 0.178 0.000 0.652 241 A CB -0.656 18.440 19.000 0.159 0.000 0.808 241 A HN 0.459 nan 8.150 nan 0.000 0.449 242 N N -0.278 118.473 118.700 0.085 0.000 2.354 242 N HA 0.041 4.781 4.740 -0.000 0.000 0.246 242 N C 1.400 176.947 175.510 0.062 0.000 1.285 242 N CA 0.549 53.638 53.050 0.065 0.000 0.925 242 N CB 1.218 39.740 38.487 0.058 0.000 1.174 242 N HN 0.016 nan 8.380 nan 0.000 0.478 243 V N 2.279 122.229 119.914 0.060 0.000 2.440 243 V HA -0.351 3.769 4.120 -0.000 0.000 0.273 243 V C 2.001 178.168 176.094 0.121 0.000 1.166 243 V CA 2.185 64.528 62.300 0.071 0.000 1.132 243 V CB -0.308 31.552 31.823 0.061 0.000 0.735 243 V HN 0.665 nan 8.190 nan 0.000 0.460 244 K N -0.104 120.365 120.400 0.114 0.000 2.209 244 K HA 0.000 4.320 4.320 -0.000 0.000 0.204 244 K C 1.864 178.556 176.600 0.154 0.000 1.048 244 K CA 1.154 57.529 56.287 0.148 0.000 0.940 244 K CB -0.368 32.133 32.500 0.002 0.000 0.729 244 K HN 0.625 nan 8.250 nan 0.000 0.451 245 A N 1.207 124.049 122.820 0.036 0.000 2.247 245 A HA -0.079 4.241 4.320 -0.000 0.000 0.205 245 A C 0.617 178.265 177.584 0.106 0.000 1.261 245 A CA 0.614 52.636 52.037 -0.025 0.000 0.853 245 A CB -0.125 18.833 19.000 -0.070 0.000 0.793 245 A HN 0.113 nan 8.150 nan 0.000 0.487 246 Q N -0.519 119.379 119.800 0.163 0.000 3.041 246 Q HA 0.397 4.737 4.340 -0.000 0.000 0.372 246 Q C -1.117 174.600 176.000 -0.472 0.000 1.241 246 Q CA 0.179 55.937 55.803 -0.074 0.000 1.010 246 Q CB -0.533 28.130 28.738 -0.125 0.000 1.467 246 Q HN 0.493 nan 8.270 nan 0.000 0.462 247 F N -0.423 119.509 119.950 -0.031 0.000 2.679 247 F HA 0.318 4.845 4.527 -0.000 0.000 0.354 247 F C -0.289 175.509 175.800 -0.004 0.000 1.423 247 F CA -0.806 57.188 58.000 -0.010 0.000 1.141 247 F CB 1.052 40.041 39.000 -0.019 0.000 1.168 247 F HN -0.030 nan 8.300 nan 0.000 0.530 248 V N 2.054 121.975 119.914 0.011 0.000 2.588 248 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 248 V C -1.413 174.683 176.094 0.005 0.000 1.042 248 V CA -0.884 61.435 62.300 0.031 0.000 0.877 248 V CB 2.022 33.864 31.823 0.032 0.000 0.996 248 V HN 0.209 nan 8.190 nan 0.000 0.425 249 L N 7.501 128.738 121.223 0.024 0.000 2.307 249 L HA 0.712 5.052 4.340 -0.000 0.000 0.282 249 L C 0.181 177.070 176.870 0.030 0.000 1.051 249 L CA 0.208 55.062 54.840 0.023 0.000 0.804 249 L CB 1.219 43.303 42.059 0.041 0.000 1.197 249 L HN 0.763 nan 8.230 nan 0.000 0.431 250 R N 2.657 123.174 120.500 0.029 0.000 2.888 250 R HA 0.602 4.942 4.340 -0.000 0.000 0.266 250 R C 0.479 176.804 176.300 0.043 0.000 1.020 250 R CA -0.281 55.840 56.100 0.035 0.000 0.963 250 R CB 1.545 31.860 30.300 0.025 0.000 1.197 250 R HN 0.747 nan 8.270 nan 0.000 0.481 251 A N 0.687 123.535 122.820 0.046 0.000 1.933 251 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 251 A C 1.910 179.511 177.584 0.028 0.000 1.175 251 A CA 2.082 54.147 52.037 0.046 0.000 0.628 251 A CB -0.612 18.411 19.000 0.037 0.000 0.814 251 A HN 0.790 nan 8.150 nan 0.000 0.444 252 S N 0.666 116.379 115.700 0.022 0.000 2.419 252 S HA -0.191 4.278 4.470 -0.000 0.000 0.235 252 S C 1.089 175.748 174.600 0.097 0.000 1.019 252 S CA 1.459 59.678 58.200 0.033 0.000 0.982 252 S CB -0.514 62.714 63.200 0.046 0.000 0.789 252 S HN 0.576 nan 8.310 nan 0.000 0.490 253 D N 1.706 122.141 120.400 0.058 0.000 2.317 253 D HA 0.113 4.753 4.640 -0.000 0.000 0.211 253 D C 1.626 177.945 176.300 0.031 0.000 0.966 253 D CA 0.473 54.498 54.000 0.041 0.000 0.876 253 D CB -0.305 40.494 40.800 -0.001 0.000 0.927 253 D HN 0.424 nan 8.370 nan 0.000 0.519 254 L N -0.412 120.828 121.223 0.028 0.000 2.478 254 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 254 L C 1.915 178.813 176.870 0.047 0.000 1.140 254 L CA 0.225 55.051 54.840 -0.023 0.000 0.842 254 L CB -0.490 41.559 42.059 -0.017 0.000 0.953 254 L HN 0.092 nan 8.230 nan 0.000 0.452 255 H N 1.892 120.950 119.070 -0.020 0.000 2.278 255 H HA -0.321 4.235 4.556 -0.000 0.000 0.267 255 H C 1.404 176.725 175.328 -0.012 0.000 1.157 255 H CA 2.458 58.502 56.048 -0.008 0.000 1.192 255 H CB -0.014 29.737 29.762 -0.018 0.000 1.443 255 H HN 0.575 nan 8.280 nan 0.000 0.516 256 N N -0.125 118.644 118.700 0.115 0.000 2.275 256 N HA 0.316 5.056 4.740 -0.000 0.000 0.236 256 N C -0.456 175.043 175.510 -0.018 0.000 1.154 256 N CA 0.151 53.219 53.050 0.029 0.000 0.866 256 N CB 1.111 39.577 38.487 -0.035 0.000 1.093 256 N HN 0.195 nan 8.380 nan 0.000 0.515 257 A N 1.538 124.327 122.820 -0.052 0.000 2.322 257 A HA 0.263 4.583 4.320 -0.000 0.000 0.269 257 A C 0.326 177.887 177.584 -0.039 0.000 1.094 257 A CA -0.432 51.532 52.037 -0.122 0.000 0.807 257 A CB 0.590 19.387 19.000 -0.339 0.000 1.047 257 A HN 0.233 nan 8.150 nan 0.000 0.487 258 K N 0.680 121.060 120.400 -0.033 0.000 2.336 258 K HA 0.248 4.568 4.320 -0.000 0.000 0.262 258 K C 1.285 177.933 176.600 0.080 0.000 0.992 258 K CA 0.382 56.675 56.287 0.009 0.000 0.927 258 K CB 0.386 32.880 32.500 -0.010 0.000 0.956 258 K HN 0.710 nan 8.250 nan 0.000 0.495 259 A N 2.235 125.090 122.820 0.058 0.000 2.019 259 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 259 A C 1.590 179.191 177.584 0.028 0.000 1.164 259 A CA 1.999 54.072 52.037 0.060 0.000 0.644 259 A CB -0.765 18.234 19.000 -0.002 0.000 0.805 259 A HN 0.924 nan 8.150 nan 0.000 0.449 260 N N -1.585 117.115 118.700 -0.001 0.000 2.336 260 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 260 N C 0.657 176.147 175.510 -0.033 0.000 1.113 260 N CA 0.008 53.025 53.050 -0.056 0.000 0.858 260 N CB -0.189 38.249 38.487 -0.082 0.000 0.970 260 N HN 0.307 nan 8.380 nan 0.000 0.471 261 M N 1.421 121.051 119.600 0.050 0.000 2.239 261 M HA 0.147 4.627 4.480 -0.000 0.000 0.348 261 M C -0.812 175.529 176.300 0.067 0.000 1.239 261 M CA 0.474 55.781 55.300 0.012 0.000 1.114 261 M CB 0.425 32.967 32.600 -0.096 0.000 1.641 261 M HN 0.045 nan 8.290 nan 0.000 0.453 262 K N 3.758 124.157 120.400 -0.001 0.000 2.375 262 K HA 0.584 4.904 4.320 -0.000 0.000 0.249 262 K C -1.425 175.224 176.600 0.082 0.000 0.942 262 K CA -0.714 55.582 56.287 0.015 0.000 0.806 262 K CB 2.101 34.531 32.500 -0.117 0.000 1.227 262 K HN 0.521 nan 8.250 nan 0.000 0.430 263 V N 3.483 123.486 119.914 0.148 0.000 2.370 263 V HA 0.367 4.487 4.120 -0.000 0.000 0.279 263 V C -0.407 175.829 176.094 0.236 0.000 1.029 263 V CA -0.855 61.555 62.300 0.183 0.000 0.870 263 V CB 1.096 33.063 31.823 0.241 0.000 0.984 263 V HN 0.463 nan 8.190 nan 0.000 0.451 264 L N 4.493 125.805 121.223 0.148 0.000 2.342 264 L HA 0.719 5.059 4.340 -0.000 0.000 0.271 264 L C -0.400 176.368 176.870 -0.170 0.000 1.008 264 L CA -0.282 54.595 54.840 0.062 0.000 0.818 264 L CB 1.697 43.783 42.059 0.046 0.000 1.296 264 L HN 0.691 nan 8.230 nan 0.000 0.427 265 H N 3.618 122.533 119.070 -0.259 0.000 3.188 265 H HA 0.237 4.792 4.556 -0.000 0.000 0.325 265 H C -2.438 172.768 175.328 -0.205 0.000 1.033 265 H CA -1.121 54.729 56.048 -0.329 0.000 1.443 265 H CB 2.671 32.262 29.762 -0.285 0.000 1.968 265 H HN 0.332 nan 8.280 nan 0.000 0.449 266 P HA -0.114 nan 4.420 nan 0.000 0.218 266 P C 0.014 177.436 177.300 0.202 0.000 1.146 266 P CA 0.721 63.880 63.100 0.098 0.000 0.813 266 P CB 0.913 32.674 31.700 0.102 0.000 0.778 267 L N -3.303 118.156 121.223 0.393 0.000 0.585 267 L HA -0.092 4.247 4.340 -0.000 0.000 0.356 267 L C -2.197 174.758 176.870 0.142 0.000 0.963 267 L CA -0.889 54.050 54.840 0.165 0.000 1.223 267 L CB -2.192 39.916 42.059 0.082 0.000 0.011 267 L HN 0.047 nan 8.230 nan 0.000 0.091 268 P HA 0.148 nan 4.420 nan 0.000 0.271 268 P C -1.052 176.196 177.300 -0.087 0.000 1.216 268 P CA -0.216 62.885 63.100 0.001 0.000 0.771 268 P CB 0.950 32.664 31.700 0.022 0.000 0.864 269 R N 2.946 123.268 120.500 -0.296 0.000 2.349 269 R HA 0.298 4.638 4.340 -0.000 0.000 0.299 269 R C -0.663 175.541 176.300 -0.162 0.000 1.027 269 R CA -0.281 55.548 56.100 -0.451 0.000 0.958 269 R CB 0.905 30.766 30.300 -0.733 0.000 1.047 269 R HN 0.284 nan 8.270 nan 0.000 0.468 270 V N 2.677 122.549 119.914 -0.071 0.000 3.240 270 V HA -0.001 4.119 4.120 -0.000 0.000 0.218 270 V C 0.690 176.784 176.094 -0.000 0.000 1.190 270 V CA 1.241 63.533 62.300 -0.015 0.000 1.280 270 V CB -0.019 31.820 31.823 0.026 0.000 1.244 270 V HN 0.913 nan 8.190 nan 0.000 0.512 271 D N -0.647 119.779 120.400 0.043 0.000 2.520 271 D HA -0.033 4.606 4.640 -0.000 0.000 0.223 271 D C 1.419 177.745 176.300 0.043 0.000 1.186 271 D CA 0.282 54.308 54.000 0.044 0.000 0.821 271 D CB -0.440 40.407 40.800 0.078 0.000 1.072 271 D HN 0.483 nan 8.370 nan 0.000 0.518 272 E N 1.304 121.536 120.200 0.054 0.000 2.401 272 E HA -0.077 4.272 4.350 -0.000 0.000 0.199 272 E C 0.392 177.012 176.600 0.032 0.000 1.023 272 E CA 0.448 56.889 56.400 0.068 0.000 0.859 272 E CB 0.207 29.981 29.700 0.122 0.000 0.780 272 E HN 0.430 nan 8.360 nan 0.000 0.523 273 I N 1.137 121.689 120.570 -0.030 0.000 2.500 273 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 273 I C -0.418 175.681 176.117 -0.032 0.000 1.063 273 I CA -1.051 60.221 61.300 -0.047 0.000 1.062 273 I CB 1.901 39.791 38.000 -0.184 0.000 1.223 273 I HN -0.080 nan 8.210 nan 0.000 0.435 274 A N 3.902 126.732 122.820 0.017 0.000 2.371 274 A HA 0.305 4.625 4.320 -0.000 0.000 0.257 274 A C 1.289 178.909 177.584 0.060 0.000 1.089 274 A CA -0.060 51.997 52.037 0.033 0.000 0.794 274 A CB 0.404 19.427 19.000 0.039 0.000 1.029 274 A HN 0.805 nan 8.150 nan 0.000 0.488 275 T N 0.952 115.544 114.554 0.063 0.000 2.802 275 T HA -0.194 4.155 4.350 -0.000 0.000 0.269 275 T C 1.422 176.183 174.700 0.102 0.000 1.062 275 T CA 2.217 64.373 62.100 0.093 0.000 1.133 275 T CB -0.388 68.521 68.868 0.069 0.000 0.852 275 T HN 0.922 nan 8.240 nan 0.000 0.485 276 D N 0.683 121.131 120.400 0.079 0.000 2.312 276 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 276 D C 1.892 178.244 176.300 0.087 0.000 0.964 276 D CA 0.359 54.401 54.000 0.070 0.000 0.877 276 D CB -0.632 40.197 40.800 0.049 0.000 0.924 276 D HN 0.306 nan 8.370 nan 0.000 0.515 277 V N 1.438 121.422 119.914 0.116 0.000 2.358 277 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 277 V C 1.747 177.937 176.094 0.160 0.000 1.047 277 V CA 1.935 64.323 62.300 0.148 0.000 1.035 277 V CB -0.540 31.396 31.823 0.190 0.000 0.658 277 V HN 0.090 nan 8.190 nan 0.000 0.452 278 D N 0.253 120.768 120.400 0.192 0.000 2.203 278 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 278 D C 1.969 178.315 176.300 0.077 0.000 0.997 278 D CA 1.104 55.190 54.000 0.142 0.000 0.863 278 D CB -0.264 40.665 40.800 0.216 0.000 0.928 278 D HN 0.388 nan 8.370 nan 0.000 0.458 279 K N 0.206 120.651 120.400 0.074 0.000 2.487 279 K HA 0.053 4.373 4.320 -0.000 0.000 0.192 279 K C 0.418 177.040 176.600 0.036 0.000 1.027 279 K CA 0.267 56.582 56.287 0.047 0.000 1.054 279 K CB 0.208 32.732 32.500 0.041 0.000 0.824 279 K HN 0.142 nan 8.250 nan 0.000 0.510 280 T N 2.251 116.835 114.554 0.050 0.000 2.913 280 T HA 0.102 4.452 4.350 -0.000 0.000 0.287 280 T C -1.578 173.123 174.700 0.001 0.000 1.008 280 T CA -1.387 60.738 62.100 0.041 0.000 1.067 280 T CB 1.412 70.354 68.868 0.123 0.000 0.996 280 T HN 0.001 nan 8.240 nan 0.000 0.513 281 P HA -0.106 nan 4.420 nan 0.000 0.226 281 P C 0.566 177.804 177.300 -0.104 0.000 1.146 281 P CA 1.239 64.275 63.100 -0.108 0.000 0.773 281 P CB -0.008 31.560 31.700 -0.219 0.000 0.772 282 H N -0.246 118.851 119.070 0.045 0.000 2.544 282 H HA 0.302 4.858 4.556 -0.000 0.000 0.269 282 H C 1.007 176.381 175.328 0.075 0.000 0.970 282 H CA 0.047 56.110 56.048 0.024 0.000 1.219 282 H CB -0.122 29.649 29.762 0.015 0.000 1.421 282 H HN 0.086 nan 8.280 nan 0.000 0.555 283 A N 0.795 123.693 122.820 0.131 0.000 2.438 283 A HA -0.046 4.273 4.320 -0.000 0.000 0.280 283 A C 0.001 177.513 177.584 -0.121 0.000 1.160 283 A CA -0.055 51.897 52.037 -0.142 0.000 0.821 283 A CB -0.405 18.390 19.000 -0.340 0.000 1.101 283 A HN 0.737 nan 8.150 nan 0.000 0.515 284 W N 3.610 124.660 121.300 -0.416 0.000 2.467 284 W HA 0.115 4.775 4.660 -0.000 0.000 0.369 284 W C 0.075 176.451 176.519 -0.237 0.000 0.938 284 W CA -0.150 57.032 57.345 -0.272 0.000 1.845 284 W CB 0.337 29.742 29.460 -0.093 0.000 1.167 284 W HN 1.089 nan 8.180 nan 0.000 0.558 285 Y N -1.771 118.450 120.300 -0.130 0.000 2.224 285 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 285 Y C 1.768 177.467 175.900 -0.334 0.000 1.146 285 Y CA 1.018 58.964 58.100 -0.257 0.000 1.182 285 Y CB -1.550 36.663 38.460 -0.413 0.000 0.983 285 Y HN -0.216 nan 8.280 nan 0.000 0.524 286 F N 0.544 120.472 119.950 -0.037 0.000 2.270 286 F HA -0.039 4.488 4.527 -0.000 0.000 0.295 286 F C 2.127 177.831 175.800 -0.160 0.000 1.087 286 F CA 0.580 58.546 58.000 -0.057 0.000 1.365 286 F CB -0.971 37.970 39.000 -0.099 0.000 1.056 286 F HN 0.017 nan 8.300 nan 0.000 0.506 287 Q N 0.113 119.753 119.800 -0.265 0.000 2.291 287 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 287 Q C 2.143 178.086 176.000 -0.094 0.000 0.976 287 Q CA 1.218 56.792 55.803 -0.381 0.000 0.875 287 Q CB -0.478 27.545 28.738 -1.193 0.000 0.927 287 Q HN 0.533 nan 8.270 nan 0.000 0.450 288 Q N 0.029 119.828 119.800 -0.003 0.000 1.994 288 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 288 Q C 1.975 178.053 176.000 0.130 0.000 0.976 288 Q CA 1.263 57.156 55.803 0.150 0.000 0.828 288 Q CB -0.229 28.614 28.738 0.177 0.000 0.894 288 Q HN 0.387 nan 8.270 nan 0.000 0.432 289 A N 0.760 123.647 122.820 0.113 0.000 1.958 289 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 289 A C 2.249 179.865 177.584 0.054 0.000 1.178 289 A CA 1.907 54.002 52.037 0.097 0.000 0.642 289 A CB -1.447 17.638 19.000 0.143 0.000 0.816 289 A HN 0.649 nan 8.150 nan 0.000 0.453 290 G N -0.211 108.627 108.800 0.064 0.000 2.422 290 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 290 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 290 G C 1.310 176.252 174.900 0.070 0.000 1.146 290 G CA 1.048 46.177 45.100 0.047 0.000 0.769 290 G HN 0.554 nan 8.290 nan 0.000 0.547 291 N N 1.149 119.973 118.700 0.207 0.000 2.453 291 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 291 N C 2.247 177.817 175.510 0.100 0.000 1.041 291 N CA 0.955 54.224 53.050 0.365 0.000 0.900 291 N CB -0.563 38.257 38.487 0.555 0.000 0.961 291 N HN 0.309 nan 8.380 nan 0.000 0.443 292 G N 1.263 110.056 108.800 -0.013 0.000 2.462 292 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 292 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 292 G C 1.434 176.171 174.900 -0.271 0.000 1.121 292 G CA 0.273 45.297 45.100 -0.127 0.000 0.758 292 G HN 0.191 nan 8.290 nan 0.000 0.559 293 I N 0.287 120.625 120.570 -0.386 0.000 2.179 293 I HA -0.069 4.100 4.170 -0.000 0.000 0.242 293 I C 2.473 178.192 176.117 -0.664 0.000 1.088 293 I CA 1.077 62.031 61.300 -0.575 0.000 1.357 293 I CB -1.134 36.368 38.000 -0.828 0.000 1.051 293 I HN 0.120 nan 8.210 nan 0.000 0.409 294 F N 0.984 120.850 119.950 -0.139 0.000 2.219 294 F HA 0.076 4.603 4.527 -0.000 0.000 0.294 294 F C 2.638 178.256 175.800 -0.304 0.000 1.086 294 F CA 0.908 58.781 58.000 -0.213 0.000 1.330 294 F CB -1.370 37.467 39.000 -0.272 0.000 1.047 294 F HN -0.030 nan 8.300 nan 0.000 0.495 295 A N 0.816 123.474 122.820 -0.270 0.000 1.908 295 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 295 A C 2.384 179.873 177.584 -0.159 0.000 1.181 295 A CA 1.502 53.401 52.037 -0.229 0.000 0.627 295 A CB -0.490 18.410 19.000 -0.167 0.000 0.818 295 A HN 0.184 nan 8.150 nan 0.000 0.445 296 R N -0.362 120.005 120.500 -0.221 0.000 2.075 296 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 296 R C 2.202 178.463 176.300 -0.065 0.000 1.126 296 R CA 1.406 57.381 56.100 -0.208 0.000 0.963 296 R CB -0.905 29.098 30.300 -0.496 0.000 0.858 296 R HN 0.734 nan 8.270 nan 0.000 0.435 297 Q N 0.475 120.225 119.800 -0.084 0.000 2.112 297 Q HA -0.120 4.219 4.340 -0.000 0.000 0.206 297 Q C 2.146 178.155 176.000 0.014 0.000 0.987 297 Q CA 1.922 57.714 55.803 -0.018 0.000 0.858 297 Q CB -0.206 28.522 28.738 -0.015 0.000 0.905 297 Q HN 0.393 nan 8.270 nan 0.000 0.420 298 A N 0.360 123.177 122.820 -0.004 0.000 1.933 298 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 298 A C 1.972 179.577 177.584 0.035 0.000 1.175 298 A CA 1.010 53.054 52.037 0.012 0.000 0.628 298 A CB -0.475 18.513 19.000 -0.020 0.000 0.814 298 A HN 0.298 nan 8.150 nan 0.000 0.444 299 L N -0.332 120.916 121.223 0.041 0.000 2.027 299 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 299 L C 2.400 179.319 176.870 0.083 0.000 1.074 299 L CA 1.477 56.360 54.840 0.071 0.000 0.745 299 L CB -0.487 41.629 42.059 0.095 0.000 0.898 299 L HN 0.401 nan 8.230 nan 0.000 0.433 300 L N -1.299 119.982 121.223 0.096 0.000 2.046 300 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 300 L C 2.599 179.512 176.870 0.070 0.000 1.077 300 L CA 1.156 56.048 54.840 0.087 0.000 0.747 300 L CB -0.850 41.267 42.059 0.097 0.000 0.896 300 L HN 0.330 nan 8.230 nan 0.000 0.432 301 A N 0.310 123.168 122.820 0.064 0.000 1.845 301 A HA -0.168 4.151 4.320 -0.000 0.000 0.215 301 A C 2.217 179.849 177.584 0.079 0.000 1.195 301 A CA 1.408 53.482 52.037 0.063 0.000 0.616 301 A CB -0.811 18.220 19.000 0.052 0.000 0.832 301 A HN 0.336 nan 8.150 nan 0.000 0.443 302 L N -0.611 120.659 121.223 0.077 0.000 2.127 302 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 302 L C 2.403 179.352 176.870 0.131 0.000 1.089 302 L CA 0.928 55.824 54.840 0.094 0.000 0.757 302 L CB -0.398 41.707 42.059 0.077 0.000 0.899 302 L HN 0.262 nan 8.230 nan 0.000 0.434 303 V N -0.504 119.467 119.914 0.095 0.000 2.649 303 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 303 V C 2.027 178.151 176.094 0.051 0.000 1.054 303 V CA 1.132 63.458 62.300 0.044 0.000 1.073 303 V CB 0.199 32.024 31.823 0.003 0.000 0.699 303 V HN 0.334 nan 8.190 nan 0.000 0.463 304 L N -0.742 120.549 121.223 0.115 0.000 2.416 304 L HA 0.172 4.512 4.340 -0.000 0.000 0.216 304 L C 0.502 177.560 176.870 0.312 0.000 1.098 304 L CA 0.288 55.219 54.840 0.152 0.000 0.840 304 L CB -0.102 42.010 42.059 0.088 0.000 0.981 304 L HN 0.277 nan 8.230 nan 0.000 0.462 305 N N 0.018 118.871 118.700 0.255 0.000 2.419 305 N HA 0.131 4.871 4.740 -0.000 0.000 0.264 305 N C 0.903 176.352 175.510 -0.102 0.000 1.031 305 N CA -0.378 52.746 53.050 0.123 0.000 0.951 305 N CB 0.954 39.472 38.487 0.052 0.000 1.101 305 N HN -0.062 nan 8.380 nan 0.000 0.488 306 R N 1.217 121.382 120.500 -0.559 0.000 2.097 306 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 306 R C -0.360 175.725 176.300 -0.359 0.000 1.135 306 R CA 1.596 57.163 56.100 -0.890 0.000 0.934 306 R CB -0.279 29.657 30.300 -0.606 0.000 0.846 306 R HN 0.698 nan 8.270 nan 0.000 0.431 307 D N -0.510 119.769 120.400 -0.202 0.000 2.671 307 D HA 0.316 4.956 4.640 -0.000 0.000 0.232 307 D C -1.025 175.241 176.300 -0.058 0.000 1.114 307 D CA -0.660 53.277 54.000 -0.104 0.000 0.858 307 D CB 2.239 42.987 40.800 -0.086 0.000 1.544 307 D HN -0.152 nan 8.370 nan 0.000 0.471 308 L N 1.462 122.669 121.223 -0.027 0.000 2.376 308 L HA 0.325 4.664 4.340 -0.000 0.000 0.275 308 L C -1.292 175.577 176.870 -0.002 0.000 0.987 308 L CA -0.680 54.156 54.840 -0.006 0.000 0.828 308 L CB 1.880 43.946 42.059 0.011 0.000 1.249 308 L HN 0.175 nan 8.230 nan 0.000 0.409 309 V N 5.849 125.763 119.914 -0.000 0.000 2.370 309 V HA 0.447 4.567 4.120 -0.000 0.000 0.279 309 V C 0.065 176.165 176.094 0.009 0.000 1.029 309 V CA -0.571 61.731 62.300 0.003 0.000 0.870 309 V CB 1.267 33.091 31.823 0.000 0.000 0.984 309 V HN 0.684 nan 8.190 nan 0.000 0.451 310 L N 0.000 121.230 121.223 0.012 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.850 54.840 0.016 0.000 0.813 310 L CB 0.000 42.071 42.059 0.020 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502